Index

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z - 0 - 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9

recparall_type

0

01_macroavnew_ext

1

10_dumpinfo 11_memory_mpi 11_qespresso_ext 12_hide_mpi 13paw 14_hidewrite 14wfs 15_gpu_toolbox 16_hideleave 17_libtetra_ext 18_timing

2

20_datashare 21_hashfuncs 21_hashfuncs/tests/test_md5_sum_from_file 21_hashfuncs/tests/test_md5_sum_from_string 27_toolbox_oop 28_numeric_noabirule

3

32_util

4

41_geometry 41_xc_lowlevel 42_libpaw 42_nlstrain 42_parser 43_ptgroups 43_wvl_wrappers 44_abitypes_defs 45_geomoptim 49_gw_toolbox_oop

5

51_manage_mpi 52_abiutil 52_fft_mpi_noabirule 52_manage_cuda 53_ffts 53_spacepar 56_io_mpi 56_mixing 56_recipspace 56_xc 57_iopsp_parser 57_iovars 59_ionetcdf

6

61_occeig 62_bader 62_cg_noabirule 62_ctqmc 62_iowfdenpot 62_poisson 62_wvl_wfs 64_atompaw 65_lotf_base 65_psp 66nonlocal 67_common 68_dmft 68_lotf 68_recursion 68_rsprc 69_wfdesc

7

70_gw 71_bse 72_response 77_ddb 77_suscep 78_effpot 78_eph 79_seqpar_mpi

8

83_cut3d 84_fold2Bloch

9

94_scfcv 95_drive 98_main

_

_01_gsl_ext_ _01_gsl_ext_ _01_linalg_ext_ _01_macroavnew_ext_ _01_triqs_ext_ _01_triqs_ext_ _02_clib_ _02_clib_ _10_defs_ _10_dumpinfo_ _11_memory_mpi_ _11_qespresso_ext_ _12_hide_mpi_ _14_hidewrite_ _15_gpu_toolbox_ _16_hideleave_ _17_libtetra_ext_ _18_timing_ _20_datashare_ _21_hashfuncs_ _27_toolbox_oop_ _28_numeric_noabirule_ _32_util_ _41_geometry_ _41_xc_lowlevel_ _42_libpaw_ _42_nlstrain_ _42_parser_ _43_ptgroups_ _43_wvl_wrappers_ _44_abitypes_defs_ _45_geomoptim_ _49_gw_toolbox_oop_ _51_manage_mpi_ _52_fft_mpi_noabirule_ _52_manage_cuda_ _53_ffts_ _53_spacepar_ _54_abiutil_ _56_io_mpi_ _56_mixing_ _56_recipspace_ _56_xc_ _57_iopsp_parser_ _57_iovars_ _59_ionetcdf_ _61_occeig_ _62_cg_noabirule_ _62_ctqmc_ _62_iowfdenpot_ _62_poisson_ _62_wvl_wfs_ _63_bader_ _64_atompaw_ _64_psp_ _65_lotf_base_ _65_paw_ _66_nonlocal_ _66_wfs_ _67_common_ _68_dmft_ _68_lotf_ _68_recursion_ _68_rsprc_ _69_wfdesc_ _70_gw_ _71_bse_ _72_response_ _77_ddb_ _77_suscep_ _78_effpot_ _78_eph_ _79_seqpar_mpi_ _83_cut3d_ _84_fold2Bloch_ _94_scfcv_ _95_drive_ _98_main_

A

a2fw_free a2fw_init a2fw_lambda_wij a2fw_logmoment a2fw_moment a2fw_solve_gap a2fw_t a2fw_tr_free a2fw_tr_init a2fw_tr_moment a2fw_tr_t a2fw_tr_write a2fw_write ab7_invars_free ab7_invars_get_abinit_vars ab7_invars_get_ndtset ab7_invars_load ab7_invars_new_from_file ab7_invars_new_from_string ab7_invars_set_flags ab7_mixing_copy_current_step ab7_mixing_deallocate ab7_mixing_eval ab7_mixing_eval_allocate ab7_mixing_eval_deallocate ab7_mixing_new ab7_mixing_use_disk_cache ab7_mixing_use_moving_atoms ab_define_var ab_dimensions ab_xfh_type abi_cheev abi_cheev_alloc abi_chegv abi_chegv_alloc abi_chpev abi_chpev_alloc abi_chpgv abi_chpgv_alloc abi_cpu_time abi_d2zcopy_2d abi_d2zgemm abi_d2zpotrf abi_d2ztrsm abi_d2ztrsm_3d abi_dcopy abi_dcopy_0d_1d abi_dcopy_1d abi_dcopy_1d_0d abi_dcopy_2d abi_derf abi_derfc abi_dheev abi_dheev_alloc abi_dhegv abi_dhegv_alloc abi_dhpev abi_dhpev_alloc_1d abi_dhpev_alloc_2d abi_dhpgv abi_dhpgv_alloc_1d abi_dhpgv_alloc_2d abi_dpotrf abi_dtrsm abi_etsf_dims_init abi_etsf_init abi_gpu_linalg.f90 abi_io_redirect abi_linalg_eigen_setmaxsize abi_linalg_finalize abi_linalg_init abi_log_status_state abi_wtime abi_xcopy abi_xcopy.f90 abi_xgemm abi_xgemm.f90 abi_xheev abi_xheev.f90 abi_xhegv abi_xhegv.f90 abi_xhpev abi_xhpev.f90 abi_xhpgv abi_xhpgv.f90 abi_xorthonormalize abi_xorthonormalize.f90 abi_xpotrf abi_xpotrf.f90 abi_xtrsm abi_xtrsm.f90 abi_z2dcopy_2d abi_zcopy abi_zcopy_1d abi_zgemm_2d abi_zheev abi_zheev_alloc abi_zhegv abi_zhegv_alloc abi_zhpev abi_zhpev_alloc abi_zhpgv abi_zhpgv_alloc abi_zpotrf abi_zpotrf_2d abi_ztrsm abietsf_msg_hndl abietsf_warn abifile_from_fform abifile_from_varname abifile_t abiforstr abiforstr_fin abiforstr_ini abihist abihist_bcast_0D abihist_bcast_1D abihist_compare_and_copy abihist_copy abihist_fi abihist_free_0D abihist_free_1D abihist_init_0D abihist_init_1D abiimages abiimages_fin abiimages_ini abimem_abort abimem_basename abimem_check abimem_get_info abimem_init abimem_record abimem_set_opts abimem_shutdown abimem_t abimem_wtime abimover abimover_fin abimover_ini abimover_nullify abimover_print abinit abinit.F90 abinit_doctor accumulate_chi0_q0 accumulate_chi0sumrule accumulate_sfchi0_q0 acrossb acrossb.F90 adata_type add_int_fct add_matlu add_vnlr_commutator addout addout.F90 addr_copy_dp1d addr_copy_dp2d addr_copy_dp3d addr_copy_dp4d addr_copy_dp5d addr_copy_int1d addr_copy_int2d addr_copy_int3d addr_copy_int4d addrho adini adini.F90 afterscfloop afterscfloop.F90 aim aim.F90 aim_dataset_type aim_follow aim_follow.F90 aim_shutdown align_u_matrices alignph alignph.F90 alloc_copy_cdp1d alloc_copy_cdp2d alloc_copy_cdp3d alloc_copy_cdp4d alloc_copy_ch1d alloc_copy_csp1d alloc_copy_csp2d alloc_copy_csp3d alloc_copy_csp4d alloc_copy_int1d alloc_copy_int2d alloc_copy_int3d alloc_copy_int4d alloc_copy_log1d alloc_copy_log2d alloc_copy_log3d alloc_copy_log4d alloc_copy_rdp1d alloc_copy_rdp2d alloc_copy_rdp3d alloc_copy_rdp4d alloc_copy_rdp5d alloc_copy_rdp6d alloc_hamilt_gpu alloc_hamilt_gpu.F90 alloc_on_gpu alloc_self allocate_orbital alpha_update amalgam anaddb anaddb.F90 anaddb_chkvars anaddb_dataset_type anaddb_dtset_free anaddb_init angle_ang angle_dihedral anharmonics_terms_evaluateElastic anharmonics_terms_evaluateIFCStrainCoupling anharmonics_terms_init anharmonics_terms_type appdig appdig.F90 append_xyz append_xyz.F90 apply_block apply_invovl apply_scissor approxdelta aprxdr aprxdr.F90 args_gs_free args_gs_init args_gs_type args_parser args_print args_t array2_gwpc_free array2_gwpc_type arth_int arth_rdp asctime asr_t asria_calc asria_corr asrif9 asrprs asrq0_apply asrq0_free ass_leg_pol assemblychi0_sym assemblychi0q0_sym assemblychi0sf assemblychi0sfq0 assert1 assert2 assert3 assert4 assert_eq2 assert_eq3 assert_eq4 assert_eqn assert_v atddft_symepsm1 atm2fft atm2fft.F90 atoi atom_gauss atom_length atom_t atom_type atomdata_from_symbol atomdata_from_znucl atomdata_t atomden atomden.F90 atompaw_atompaw_shapebes atompaw_dij0 atompaw_kij atompaw_shpfun atompaw_vhnzc atprj_destroy atprj_init atprj_print atprj_type axial9

B

bail_if_ncerr band2eps band2eps.F90 band2eps_dataset_type band2eps_dtset_free bandfft_kpt_copy bandfft_kpt_destroy bandfft_kpt_destroy_array bandfft_kpt_get_ikpt bandfft_kpt_init1 bandfft_kpt_init2 bandfft_kpt_mpi_recv bandfft_kpt_mpi_send bandfft_kpt_reset bandfft_kpt_restoretabs bandfft_kpt_savetabs bandfft_kpt_set_ikpt bandfft_kpt_type bare_vqg basename BathOperator bcp_type begins_with berryphase berryphase.F90 berryphase_new berryphase_new.F90 besjm bethe_salpeter bethe_salpeter.F90 bfactor bigbx9 bigdft_lib_error binomcoeff bisect_int bisect_rdp blas_cholesky_ortho_dpc blas_cholesky_ortho_spc bldgrp bldgrp.F90 block_lanczos_algorithm blow_pawuj blow_pawuj.F90 bond_atom_init bond_compute bond_dealloc bond_fit_set bond_length bond_lotf bond_matrix_alloc bond_matrix_set bond_tafit_init bonds_free bonds_lgth_angles bonds_lgth_angles.F90 bose_einstein bound bound.F90 bound_deriv box_len bracketing bracketing.F90 brdene brent brent.F90 bs_parameters_free bschg1 bschg2 bsepostproc bsepostproc.F90 bsp_calctype2str build_grid_scalapack build_H build_lebedev_grid build_preconditioned_Hamiltonian_Lanczos_basis build_processor_scalapack build_spectra build_vxc bz_mesh_isirred

C

calc_b_matrix calc_b_matrix.F90 calc_btinv_matrix calc_ceigr_dpc calc_ceigr_spc calc_ceikr calc_coh calc_coh_comp calc_coord calc_coord2 calc_coord_new_d calc_efg calc_efg.F90 calc_eigr calc_eiqr calc_fc calc_fc.F90 calc_kkweight calc_optical_mels calc_optical_mels.F90 calc_prim_int calc_rhop calc_rpa_functional calc_rpa_functional.F90 calc_sig_ppm calc_sig_ppm_comp calc_sig_ppm_comp.F90 calc_sigc_cd calc_sigc_cd.F90 calc_sigc_me calc_sigc_me.F90 calc_sigc_pole_cd calc_sigc_pole_cd.F90 calc_sigx_me calc_sigx_me.F90 calc_slatradl calc_smeared_density calc_smeared_density.F90 calc_ubare calc_ubare.F90 calc_ucrpa calc_ucrpa.F90 calc_vhxc_me calc_vhxc_me.F90 calc_vkb calc_wf_qp.F90 calc_wfwfg calcdensph calcdensph.F90 calcdVloc_mklocl calcdVloc_wvl CALCK0 CALCK1 Calcnrec calculate_pade_a calcVloc_mklocl canat9 canct9 cart29 cart39 carteig2d carttransf cc_derivatives cc_derivatives.F90 ccfft ccfft.F90 ccgradvnl_ylm cchi0 cchi0.F90 cchi0q0 cchi0q0.F90 cchi0q0_intraband.F90 ccs_of_glob cdgqf cdp2rdp_1D cdp2rdp_2D cdp2rdp_3D cdp2rdp_4D cdp2rdp_5D central_finite_diff cg2seqblocks cg_addtorho cg_box2gsph cg_dznrm2 cg_envlop cg_filter cg_from_reim cg_fromcplx cg_getspin cg_gsph2box cg_ncwrite cg_normev cg_precon cg_precon_block cg_real_zdotc cg_rotate cg_rotate.F90 cg_setaug_zero cg_setval cg_to_reim cg_tocplx cg_vlocpsi cg_zaxpby cg_zaxpy cg_zcopy cg_zdotc cg_zdotu cg_zgemm cg_zgemv cg_zscal cginv cgnc_cholesky cgnc_gramschmidt cgnc_gsortho cgnc_normalize cgpaw_cholesky cgpaw_gramschmidt cgpaw_gsortho cgpaw_normalize cgpr cgpr.F90 cgq_builder cgq_builder.F90 cgqf cgwf cgwf.F90 ch_cap ch_eqi ch_to_digit change_istwfk char_c2f char_c_to_f char_count char_f2c char_f_to_c cheb_oracle cheb_poly chebfi chebfi.F90 check/test_radsintr check_degeneracies check_fform check_fourier_green check_fsumrule check_kramerskronig check_kxc check_kxc.F90 check_mpi_ierr check_rot_fft check_zarot checkdiag_matlu checkreal_matlu checkResizeC checkResizeI checkResizeR chg_repr_matlu chi0_bbp_mask chi0_bksmask chi0q0_intraband chi_free chi_new chi_t chiscwrt chiscwrt.F90 chkdilatmx chkdilatmx.F90 chkdpr chkdpr.F90 chkgrp chkgrp.F90 chki8 chkin9 chkinp chkinp.F90 chkint chkint.F90 chkint_eq chkint_eq.F90 chkint_ge chkint_ge.F90 chkint_le chkint_le.F90 chkint_ne chkint_ne.F90 chkint_prt chkint_prt.F90 chkorthsy chkorthsy.F90 chkpawovlp chkpawovlp.F90 chkph3 chkprimit chkprimit.F90 chkr8 chkrp9 chkrprimd chkrprimd.F90 chkvars chkvars.F90 chkvars_in_string chneu9 cigfft class_matrix classify_bands classify_bands.F90 clean_degeneracy_table_for_poles CleanGPU CleanRec CleanRecGPU cleanup_Lanczos_basis cleanup_LanczosResolvents cleanup_Pk_model cleanup_projected_Sternheimer_epsilon cleanupValenceWavefunctions clib_print_mallinfo clib_rename clib_show_fc_alignment clnmpi_atom clnmpi_grid clnmpi_img clnmpi_pert clnup1 clnup1.F90 clnup2 clnup2.F90 close_haydock close_timing_log close_unit clp clsopn cmod_qpg cmplx_sphcart coeffs_compare coeffs_gausslegint coeffs_xml2effpot cohsex_me cohsex_me.F90 collect_datar cols combin comms_cubic_null compa_occup_ks compare_ddb_variables compare_int complete_gamma complete_gamma.F90 complete_gamma_tr complete_gamma_tr.F90 complete_gkk complete_gkk.F90 complete_gkq complete_gkq.F90 completechi0_deltapart completeperts completeperts.F90 complex_vector_product compute_anharmonics compute_anharmonics.F90 compute_AT_shift_Lanczos compute_band_energy compute_correlations_no_model_shift_lanczos compute_correlations_shift_lanczos compute_corresp compute_eigen1 compute_eigen2 compute_eigen_problem compute_energy compute_eps_m1_minus_eps_model_m1 compute_eps_m1_minus_one compute_eps_model_m1_minus_one compute_Exchange_and_Correlation_energies compute_generalized_eigen_problem compute_green compute_integrands_shift_lanczos compute_kgb_indicator compute_kgb_indicator.F90 compute_ldau_energy compute_levels compute_levels.F90 compute_migdal_energy compute_nb_elec compute_neighbours compute_noninterentropy compute_oper_ks2wan compute_pole_contribution compute_Poles compute_projected_BT_shift_Lanczos compute_projected_BT_shift_Lanczos_DISTRIBUTED compute_resolvent_column_shift_lanczos compute_resolvent_column_shift_lanczos_right_vectors computeNorder conducti conducti.F90 conducti_nc conducti_nc.F90 conducti_paw conducti_paw.F90 conducti_paw_core conducti_paw_core.F90 conjg_matlu consist consist.F90 constrf constrf.F90 construct_nwli_dmft construct_nwlo_dmft cont13 cont13.F90 cont22 cont22.F90 cont22cso cont22cso.F90 cont22so cont22so.F90 cont24 cont24.F90 cont3 cont3.F90 cont33cso cont33cso.F90 cont33so cont33so.F90 cont35 cont35.F90 continued_fract continued_fract_general contistr01 contistr01.F90 contistr03 contistr03.F90 contistr12 contistr12.F90 contribution contribution_bloc contstr21 contstr21.F90 contstr23 contstr23.F90 contstr25 contstr25.F90 contstr25a contstr25a.F90 contstr26 contstr26.F90 convergence_degree convert_notation convert_notation.F90 copy_distribfft copy_from_gpu copy_green copy_hamiltonian copy_irrep copy_kdata_0D copy_kdata_1D copy_kptrank copy_matlu copy_mpi_enreg copy_on_gpu copy_oper copy_orbital copy_results_gs copy_results_img copy_results_out copy_wave_3D corrmetalwf1 corrmetalwf1.F90 corsifc9 coulomb_operator cpdrv cpdrv.F90 cplan_many_dft cplx_addtorho_dpc cplx_box2gsph_dpc cplx_box2gsph_spc cplx_filter cplx_fromreal cplx_gsph2box_dpc cplx_gsph2box_spc cplx_real_zdotc cplx_setaug_zero_dpc cplx_setaug_zero_spc cplx_zaxpby cplx_zgemm cplx_zgemv cppm1par cppm2par cppm3par cppm4par cpu_distribution cqratio create_indices_coarse create_indices_dense create_mlms2jmj create_mlms2jmj.F90 create_nc_file create_nc_file.F90 create_slm2ylm create_slm2ylm.F90 createIonicPotential_new critic critic.F90 critics critics.F90 cross_mkcore cross_mkcore_alt cross_product_int cross_product_rdp crystal_free crystal_from_hdr crystal_init crystal_ncwrite crystal_ncwrite_path crystal_point_group crystal_print crystal_t cspint cspint.F90 ctocprj ctocprj.F90 Ctqmc CtqmcInterface ctrap ctrap.F90 ctrig cudarec cut3d cut3d.F90 cut3d_hirsh cut3d_lineint cut3d_planeint cut3d_pointint cut3d_rrho cut3d_volumeint cut3d_wffile cutoff_cylinder cutoff_init cutoff_sphere cutoff_surface cwtime cz_zprecon_block

D

d2c_weights d2c_weights.F90 d2c_wtq d2c_wtq.F90 d2cart_to_red d2frnl d2frnl.F90 d2kindstr2 d2kindstr2.F90 d2shpfunc1 d2shpfunc1_ovr2_0 d2shpfunc1_ovr2_0_2 d2shpfunc1_ovr2_0_3 d2shpfunc1_ovr2_0_4 d2shpfunc2 d2shpfunc2_ovr2_0 d2shpfunc3 d2sym3 d3sym dang_d1 dang_d2 data4entropyDMFT datafiles_type datafordmft datafordmft.F90 dataset_type dbeta dbeta.F90 dbond_length_d1 dc_self ddb_bcast ddb_chkname ddb_copy ddb_diagoq ddb_diel ddb_diel.F90 ddb_elast ddb_elast.F90 ddb_free ddb_from_file ddb_get_asrq0 ddb_get_dchidet ddb_get_dielt ddb_get_dielt_zeff ddb_get_etotal ddb_getdims ddb_hdr_compare ddb_hdr_free ddb_hdr_init ddb_hdr_malloc ddb_hdr_open_read ddb_hdr_open_write ddb_hybrid ddb_hybrid.F90 ddb_internalstr ddb_internalstr.F90 ddb_interpolate ddb_interpolate.F90 ddb_io_out ddb_io_out.F90 ddb_malloc ddb_piezo ddb_piezo.F90 ddb_type ddb_write_blok ddiago_ctl_type ddihedral_d1 ddihedral_d2 ddk_free ddk_fs_average_veloc ddk_init ddk_print ddk_read_fsvelocities ddk_t ddkten ddkten.F90 dealloc_hamilt_gpu dealloc_on_gpu debug_tools.F90 decompose_epsm1 deep_copy_cdp0d deep_copy_cdp1d deep_copy_cdp2d deep_copy_cdp3d deep_copy_cdp4d deep_copy_ch1d deep_copy_csp0d deep_copy_csp1d deep_copy_csp2d deep_copy_csp3d deep_copy_csp4d deep_copy_int0d deep_copy_int1d deep_copy_int2d deep_copy_int3d deep_copy_int4d deep_copy_log0d deep_copy_log1d deep_copy_log2d deep_copy_log3d deep_copy_log4d deep_copy_rdp0d deep_copy_rdp1d deep_copy_rdp2d deep_copy_rdp3d deep_copy_rdp4d def_file_hist defad defad.F90 defs defs_abitypes defs_abitypes.F90 defs_aimfields defs_aimfields.F90 defs_aimprom defs_aimprom.F90 defs_basis defs_basis.F90 defs_datatypes defs_datatypes.F90 defs_elphon defs_elphon.F90 defs_fftdata defs_fftdata.F90 defs_param_lotf defs_param_lotf.F90 defs_parameters defs_parameters.F90 defs_PSolver defs_PSolver.F90 defs_rectypes defs_rectypes.F90 defs_suscep defs_suscep.F90 defs_time defs_time.F90 defs_wannier90 defs_wannier90.F90 defs_wvltypes defs_wvltypes.F90 delete_file deloc2xcart deloc2xcart.F90 delocint delocint_fin denfgr denfgr.F90 denominator denpot_spin_convert dens_hirsh dens_in_sph density_rec density_rec.F90 der_int der_int.F90 derf_ab derfcf descript_scalapack destroy_atom destroy_distribfft destroy_dmft destroy_efield destroy_electronpositron destroy_energy destroy_gemm_nonlop destroy_green destroy_green_tau destroy_H destroy_hamiltonian destroy_hu destroy_invovl destroy_kptrank destroy_matlu destroy_mpi_enreg destroy_oper destroy_operwan destroy_orbital destroy_plowannier destroy_primcell_ddb_info destroy_results_gs destroy_results_gs_array destroy_results_img destroy_results_out destroy_results_respfn destroy_rf_hamiltonian destroy_sc_dmft destroy_self destroy_tetra destruction_matrix_scalapack devGPU_type dfpt_accrho dfpt_accrho.F90 dfpt_atm2fft dfpt_atm2fft.F90 dfpt_cgwf dfpt_cgwf.F90 dfpt_dyfro dfpt_dyfro.F90 dfpt_dyout dfpt_dyout.F90 dfpt_dyxc1 dfpt_dyxc1.F90 dfpt_eltfrhar dfpt_eltfrhar.F90 dfpt_eltfrkin dfpt_eltfrkin.F90 dfpt_eltfrloc dfpt_eltfrloc.F90 dfpt_eltfrxc dfpt_eltfrxc.F90 dfpt_etot dfpt_etot.F90 dfpt_ewald dfpt_ewald.F90 dfpt_gatherdy dfpt_gatherdy.F90 dfpt_looppert dfpt_looppert.F90 dfpt_mkcore dfpt_mkcore.F90 dfpt_mkffkg dfpt_mkffkg.F90 dfpt_mkrho dfpt_mkrho.F90 dfpt_mkvxc dfpt_mkvxc.F90 dfpt_mkvxc_noncoll dfpt_mkvxc_noncoll.F90 dfpt_mkvxcgga dfpt_mkvxcgga.F90 dfpt_mkvxcstr dfpt_mkvxcstr.F90 dfpt_mkvxcstrgga dfpt_mkvxcstrgga.F90 dfpt_newvtr dfpt_newvtr.F90 dfpt_nselt dfpt_nselt.F90 dfpt_nstdy dfpt_nstdy.F90 dfpt_nsteltwf dfpt_nsteltwf.F90 dfpt_nstpaw dfpt_nstpaw.F90 dfpt_nstwf dfpt_nstwf.F90 dfpt_phfrq dfpt_prtene dfpt_prtene.F90 dfpt_prtph dfpt_prtph.F90 dfpt_rhofermi dfpt_rhofermi.F90 dfpt_rhotov dfpt_rhotov.F90 dfpt_scfcv dfpt_scfcv.F90 dfpt_sydy dfpt_sydy.F90 dfpt_sygra dfpt_sygra.F90 dfpt_symph dfpt_symph.F90 dfpt_vlocal dfpt_vlocal.F90 dfpt_vtorho dfpt_vtorho.F90 dfpt_vtowfk dfpt_vtowfk.F90 dfpt_wfkfermi dfpt_wfkfermi.F90 dfptff_bec dfptff_bec.F90 dfptff_die dfptff_die.F90 dfptff_ebp dfptff_ebp.F90 dfptff_edie dfptff_edie.F90 dfptff_gbefd dfptff_gbefd.F90 dfptff_gradberry dfptff_gradberry.F90 dfptff_initberry dfptff_initberry.F90 dfptnl_doutput dfptnl_doutput.F90 dfptnl_loop dfptnl_loop.F90 dfptnl_mv dfptnl_mv.F90 dfptnl_resp dfptnl_resp.F90 dft_xc_energy dfti_alloc_complex_dpc dfti_alloc_complex_spc dfti_alloc_real_dp dfti_c2c_ip_dpc dfti_c2c_ip_spc dfti_c2c_op_dpc dfti_c2c_op_spc dfti_c2r_op_dp dfti_c2r_op_dpc dfti_check_status dfti_fftpad_dp dfti_fftpad_dpc dfti_fftpad_spc dfti_fftrisc_dp dfti_fftrisc_sp dfti_fftug_dp dfti_fftug_dpc dfti_fftug_spc dfti_fftur_dp dfti_fftur_dpc dfti_fftur_spc dfti_many_dft_ip dfti_many_dft_op dfti_r2c_op_dp dfti_r2c_op_dpc dfti_seqfourdp dfti_seqfourwf dfti_spawn_threads_here dfti_use_lib_threads diag_matlu diag_plasma diagonalize_lanczos_banded die dielmt dielmt.F90 dieltcel dieltcel.F90 diff_matlu diff_oper dirac_delta disable_timelimit dist2 dist2.F90 dist9 dist_pbc_ext dist_pbc_int distrb2 distrb2.F90 distrb2_hf distrb2_hf.F90 distrib_datar distrib_paral distribfft_type DistributeValenceKernel DistributeValenceWavefunctions dlvsum dmft_solve dmft_solve.F90 dos_calcnwrite dos_hdr_write dos_hdr_write.F90 dotprod_g dotprod_v dotprod_vn dotprod_vn.F90 dotprodm_v dotprodm_v.F90 dotprodm_vn dotprodm_vn.F90 dotproduct dotproduct.F90 dotproductqrc dotproductqrc.F90 double_grid_free double_grid_init double_grid_t dpade dplan_many_dft_1D dplan_many_dft_2D dplan_many_dft_c2r dplan_many_dft_r2c driver driver.F90 driver_generate_dielectric_matrix Driver_GeneratePrintDielectricEigenvalues driver_invert_positive_definite_hermitian_matrix drivexc drivexc.F90 drivexc_main drivexc_main.F90 drvaim drvaim.F90 dsdr_k_paw dsdr_k_paw.F90 dshpfunc1 dshpfunc1_ovr_0 dshpfunc1_ovr_0_2 dshpfunc2 dshpfunc2_ovr_0 dshpfunc3 dsksta dtchi dtech9 dtfil_init dtfil_init.F90 dtfil_init_img dtfil_init_img.F90 dtfil_init_time dtfil_init_time.F90 dtset_chkneu dtset_copy dtset_free dump_kptrank dump_Qlist dvdb_check_fform dvdb_findq dvdb_free dvdb_ftinterp_qpt dvdb_ftinterp_setup dvdb_get_pinfo dvdb_get_v1scf_qpt dvdb_get_v1scf_rpt dvdb_init dvdb_interpolate_and_write dvdb_interpolate_v1scf dvdb_list_perts dvdb_merge_files dvdb_open_read dvdb_print dvdb_read_onev1 dvdb_readsym_allv1 dvdb_rewind dvdb_seek dvdb_t dvdb_test_ftinterp dvdb_test_v1complete dvdb_test_v1rsym dvdb_v1r_long_range dvloc_zero_mklocl dvloc_zero_wvl dymfz9 dynmat_dq dyson dyson.F90 dzegdi dzgedi.F90 dzgefa dzgefa.F90

E

e_eigen ebands_copy ebands_edstats ebands_expandk ebands_free ebands_from_dtset ebands_from_hdr ebands_get_edos ebands_get_erange ebands_get_jdos ebands_has_metal_scheme ebands_init ebands_interp_kmesh ebands_interp_kpath ebands_interpolate_kpath ebands_ncwrite ebands_ncwrite_path ebands_nelect_per_spin ebands_print ebands_prtbltztrp ebands_prtbltztrp_tau_out ebands_report_gap ebands_set_fermie ebands_set_nelect ebands_set_scheme ebands_t ebands_update_occ ebands_write ebands_write_bxsf ebands_write_gnuplot ebands_write_nesting ebands_write_xmgrace ebspl_eval_bks ebspl_free ebspl_new ebspl_t echo_xc_name echo_xc_name.F90 edos_free edos_print edos_t edos_write effective_potential_file_getDimCoeff effective_potential_file_getDimMD effective_potential_file_getDimStrainCoupling effective_potential_file_getDimSystem effective_potential_file_getType effective_potential_file_readMDfile effective_potential_init effective_potential_initmpi effective_potential_setConfinement effective_potential_setSupercell effective_potential_type effective_potential_writeAbiInput effective_potential_writeNETCDF effective_potential_writeXML effpot_mpi_type efield_type efmas_main efmasdeg_free efmasdeg_free_array efmasdeg_type efmasfr_free efmasfr_free_array efmasfr_type eig2stern eig2stern.F90 eig2tot eig2tot.F90 eigen_meandege eigen_meandege.F90 eigr2d_free eigr2d_init eigr2d_ncwrite eigr2d_t elast_ncwrite electronpositron_calctype electronpositron_type electrooptic electrooptic.F90 elementfromline eli_app_m_1d eli_diag_m_1d eli_lambda_1d eli_m_iter_1d eli_z_1d eliashberg_1d eliashberg_1d.F90 elpa_func_cholesky_complex elpa_func_cholesky_real elpa_func_get_communicators elpa_func_hermitian_multiply_complex elpa_func_hermitian_multiply_real elpa_func_init elpa_func_invert_triangular_complex elpa_func_invert_triangular_real elpa_func_set_matrix_params elpa_func_solve_evp_1stage_complex elpa_func_solve_evp_1stage_real elpa_func_uninit elph2_fanddw elph2_fanddw.F90 elph_ds_clean elph_k_copy elph_k_destroy elph_k_procs elph_kgrid_type elph_tr_ds_clean elph_tr_type elph_type elphon elphon.F90 elpolariz elpolariz.F90 elt_ewald elt_ewald.F90 eltxccore eltxccore.F90 em1_symmetrize_ip em1_symmetrize_op em1params_free em1params_t em1results_free em1results_print emispec_paw emispec_paw.F90 empty_cache enable_timelimit_in enclose_degbands end_lotf end_scalapack end_sortph endswith energies_copy energies_eval_eint energies_init energies_ncwrite energies_to_array energies_type energy energy.F90 energy_type enorm entropyDMFT entropyrec entropyrec.F90 ep_el_weights ep_el_weights.F90 ep_fs_weights ep_fs_weights.F90 ep_ph_weights ep_ph_weights.F90 ep_setupqpt ep_setupqpt.F90 eph eph.F90 eph_gkk eph_phgamma eph_phpi epjdos_free epjdos_new epjdos_t eprenorms_bcast eprenorms_free eprenorms_from_epnc eprenorms_init eprenorms_t epsilon_k epsilon_k_model epsilonm1_results Epsm1_symmetrizer Epsm1_symmetrizer_inplace equal erlxconv erlxconv.F90 esymm_failed esymm_finalize esymm_free_0D esymm_free_2D esymm_init esymm_print esymm_symmetrize_mels esymm_t etheta etheta.F90 etotfor etotfor.F90 etsf_dims_nullify eval_force_devs_new_d eval_forces_U_n eval_forces_U_n_2 eval_lotf eval_U_n eval_Upp_n evdw_wannier evdw_wannier.F90 ewald ewald2 ewald9 exc_amplitude exc_build_block exc_build_block.F90 exc_build_ham exc_build_ham.F90 exc_build_v exc_check_phi_block exc_cholesky_ortho exc_den exc_den.F90 exc_diago_coupling exc_diago_coupling_hegv exc_diago_driver exc_diago_resonant exc_eps_coupling exc_eps_resonant exc_eps_rpa exc_fullh_from_blocks exc_ham_ncwrite exc_haydock_driver exc_init_phi_block exc_iterative_diago exc_plot exc_plot.F90 exc_print_eig exc_read_bshdr exc_read_eigen exc_read_rblock_fio exc_read_rcblock exc_skip_bshdr exc_skip_bshdr_mpio exc_subspace_rotation exc_write_bshdr exc_write_data exc_write_optme exc_write_phi_block exc_write_tensor excfiles exchange exchange_electronpositron excparam exit_check exit_init exp_mat_cx expibi expibi.F90 extract_QR extract_QR_Householder extract_SVD extract_SVD_lapack extrapolation_loop extraprho extraprho.F90 extrapwf extrapwf.F90

F

fac_matlu factorial fan_free fan_init fan_ncwrite fan_t fappnd fappnd.F90 fatbands_ncwrite fcart2fred fcart2fred.F90 fconv fconv.F90 fdjac2 fdtion fermi_dirac fermi_green fermi_green.F90 fermisolverec fermisolverec.F90 fexsGamma fform_from_ext fft_allow_ialltoall fft_cc_one_nothreadsafe fft_check_rotrans fft_poisson FFT_prof_t fft_test_free_0D fft_test_free_1D fft_test_init fft_test_nullify fft_test_print FFT_test_t fft_ug_dp fft_ug_dpc fft_ug_spc fft_ur_dp fft_ur_dpc fft_ur_spc fft_use_lib_threads fftalg_for_npfft fftalg_has_mpi fftalg_info fftalg_isavailable fftbox_execute_ip_dpc fftbox_execute_ip_spc fftbox_execute_op_dpc fftbox_execute_op_spc fftbox_mpi_utests fftbox_plan3 fftbox_plan3_init fftbox_plan3_many fftbox_plan3_t fftbox_utests fftdatar_write fftdatar_write_from_hdr FFTHyb fftmpi_u fftpac fftpac.F90 fftpad_dpc fftpad_one_nothreadsafe fftpad_spc fftprof fftprof.F90 fftprof_free_0D fftprof_free_1D fftprof_init fftprof_ncalls_per_test fftprof_print fftrisc_one_nothreadsafe fftstp fftu_mpi_utests fftu_utests fftw3_accrho fftw3_alloc_complex1d_dpc fftw3_alloc_complex1d_spc fftw3_alloc_real1d_dp fftw3_alloc_real2d_dp fftw3_applypot fftw3_applypot_many fftw3_c2c_ip_dpc fftw3_c2c_ip_spc fftw3_c2c_op_dpc fftw3_c2c_op_spc fftw3_c2r_op fftw3_cleanup fftw3_destroy_plan fftw3_execute_dft_dp fftw3_execute_dft_dpc fftw3_execute_dft_spc fftw3_fftpad_dp fftw3_fftpad_dpc fftw3_fftpad_spc fftw3_fftrisc_dp fftw3_fftrisc_sp fftw3_fftug_dp fftw3_fftug_dpc fftw3_fftug_spc fftw3_fftur_dp fftw3_fftur_dpc fftw3_fftur_spc fftw3_init_threads fftw3_many_dft_ip fftw3_many_dft_op fftw3_mpiback fftw3_mpiback_manywf fftw3_mpiback_wf fftw3_mpiforw fftw3_mpiforw_manywf fftw3_mpiforw_wf fftw3_mpifourdp fftw3_mpifourdp_c2c fftw3_mpifourdp_c2r fftw3_mpifourdp_r2c fftw3_plan3_t fftw3_poisson fftw3_r2c_op fftw3_seqfourdp fftw3_seqfourwf fftw3_set_nthreads fftw3_spawn_threads_here fftw3_use_lib_threads fftw3mpi_many_dft_ip fftw3mpi_many_dft_tr fftwmpi_free_work_array fftwmpi_get_work_array fgg_free_0D fgg_free_1D fgg_init fgg_t file_exists fill fill_cent fill_or_check fillcell fillcell.F90 find_getdtset find_getdtset.F90 find_maxmin_proc find_mpw find_peaks find_qmesh find_rstar_gen find_set_gpu find_symeq find_wpoles_for_cd finddistrproc finddistrproc.F90 findmin findmin.F90 findminscf findminscf.F90 findnq findq findqg0 first_rec first_rec.F90 firstchar_0d firstchar_1d fit_polynomial_coeff_computeGF fit_polynomial_coeff_computeMSE fit_polynomial_coeff_fit fit_polynomial_coeff_getFS fit_polynomial_coeff_getList fit_polynomial_coeff_getNorder fit_polynomial_coeff_getOrder1 fit_polynomial_coeff_getPositive fit_polynomial_coeff_mapHistToRef fit_polynomial_coeff_solve fit_polynomial_dist fit_polynomial_printSystemFiles fitclus fixsym fixsym.F90 flib_pwscf flib_pwscf.F90 flush_unit fm12a1 fm12a1t fmallinfo fock2ACE fock2ACE.F90 fock_ACE_destroy fock_ACE_getghc fock_ACE_getghc.F90 fock_calc_ene fock_destroy fock_get_getghc_call fock_getghc fock_getghc.F90 fock_init fock_print fock_set_getghc_call fock_set_ieigen fock_type fock_update_exc fock_updatecwaveocc fock_updateikpt fockbz_create fold2Bloch fold2Bloch.F90 force0 force_to_vel forces forces.F90 forstr forstr.F90 forstrnps forstrnps.F90 fort_denpot_skip fourdp fourdp.F90 fourdp_6d fourdp_6d.F90 fourdp_mpi fourier_fct fourier_green fourier_interpol fourier_interpol.F90 fourwf fourwf.F90 fourwf_mpi fp12a1 fp32a1 fred2fcart fred2fcart.F90 fred2fdeloc fred2fdeloc.F90 free_my_atmtab free_token freeze_displ_allmodes freeze_displ_allmodes.F90 freeze_displ_supercell fresid fresid.F90 fresidrsp fresidrsp.F90 from_block_cyclic_to_mat from_mat_to_block_cyclic frskerker1 frskerker1.F90 frskerker1__dpf frskerker1__end frskerker1__init frskerker1__newvres frskerker1__pf frskerker2 frskerker2.F90 frskerker2__dpf frskerker2__end frskerker2__init frskerker2__newvres2 frskerker2__pf fstab_findkg0 fstab_free fstab_init fstab_print fstab_t fstab_weights_ibz fsumrule fsumrule.F90 ftgam ftgam_init ftgkk ftgkk.F90 ftifc_q2r ftifc_r2q ftoa function_and_deriv Fxc_iit fxgkkphase fxgkkphase.F90 fxphas fxphas.F90 fxphas_seq

G

g0g0w g2ifft g_to_r ga_destroy ga_init ga_nullify ga_type gam_mult_displ gam_mult_displ.F90 gamma9 GAMMA_FUNCTION gamma_function.F90 gammapositron gammapositron.F90 gammapositron_fft gammapositron_fft.F90 gaps_free gaps_print gaps_t gather_array_img_1D gather_array_img_2D gather_matlu gather_results_img gather_results_out gaugetransfo gaugetransfo.F90 gauleg gaunt gaussfit_apply_constrains gaussfit_calc_deriv_c gaussfit_calc_deriv_c2 gaussfit_calc_deriv_c3 gaussfit_calc_deriv_c4 gaussfit_calc_deriv_r gaussfit_chisq_alpha_beta gaussfit_constrains_init gaussfit_fit gaussfit_main gaussfit_mpi_add_item gaussfit_mpi_assign gaussfit_mpi_calc_deviation gaussfit_mpi_main gaussfit_mpi_remove_item gaussfit_mpi_set_weight gaussfit_mpi_swap gaussfit_param2_findsign gaussfit_projector gaussfit_rlsf gaussfit_set_param1 gaussfit_set_param2 gaussfit_set_param3 gaussfit_set_param4 gaussfit_set_param5 gaussian gaussian_expansion_t gaussian_quadrature_gegenbauer gaussian_quadrature_legendre gemm_nonlop gemm_nonlop_type gen_oh generate_degeneracy_table_for_poles generate_frequencies_and_weights GeneratePrintDielectricEigenvalues generator_t gensymshub gensymshub.F90 gensymshub4 gensymshub4.F90 gensymspgr gensymspgr.F90 geop get_all_gkk2 get_all_gkk2.F90 get_all_gkq get_all_gkq.F90 get_all_gkr get_all_gkr.F90 get_atm_proc get_atomcharge get_bandenergy get_BZ_diff get_bz_item get_cache_kb get_classes get_dbl_tetra_weight get_diag_cdp get_diag_rdp get_dims_hist get_eneocc_vect get_epsm1 get_exchatom_list get_exchatom_list1 get_fastest_devices get_frequencies_and_weights_legendre get_fs_bands get_fs_bands.F90 get_full_kgrid get_full_kgrid.F90 get_gaps get_geometry_img get_gftt get_IBZ_item get_irredg get_kg get_kpt_from_indices_coarse get_kpt_from_indices_dense get_kpt_fullbz get_kpt_fullbz.F90 Get_Mem_Dev get_minmax get_my_atmtab get_my_natom get_ng0sh get_npert_rbz get_npert_rbz.F90 get_nv_fs_en get_nv_fs_en.F90 get_nv_fs_temp get_nv_fs_temp.F90 get_occupied get_onetetra_ get_overlap get_point_group get_ppm_eigenvalues get_proc_atmtab get_projection_band_indices get_pt0_pt1 get_rank_1kpt get_seeds get_start_time get_tau_k get_tau_k.F90 get_tetra_weight get_timelimit get_timelimit_string get_token get_topo get_trace_cdp get_trace_int get_trace_rdp get_unit get_unit_from_fname get_uug get_valence_idx get_varid_hist get_veloc_tr get_veloc_tr.F90 getargs getcgqphase getcgqphase.F90 getClocC getClocR getCoeffFromList getcprj getcprj.F90 getcut getcut.F90 getdc1 getdc1.F90 getdim_nloc getdim_nloc.F90 getecutfromxml getem1_from_ppm getem1_from_ppm_one_ggp getFu getfullg getgh1c getgh1c.F90 getgh1c_setup getgh2c getgh2c.F90 getghc getghc.F90 getghc_mGGA getghcnd getghcnd.F90 getgsc getgsc.F90 getkgrid getkgrid.F90 getkpgnorm getkpgnorm.F90 getkptnorm_bycomponent getmpw getmpw.F90 getnel getnel.F90 getng getng.F90 getngrec getngrec.F90 getPBCIndexes_supercell getph getph.F90 getptgroupma getptgroupma.F90 getRecordMarkerLength_wffile getshell getshell.F90 getspinrot getspinrot.F90 gettag getwtk gg1cc gg1cc.F90 gkk_free gkk_init gkk_ncwrite gkk_t gkknu_from_atm glob_loc glue_init glue_lotf glue_pair glue_pair_devs go_angles go_bonds gp1cc gp1cc.F90 gpp1cc gpp1cc.F90 gpu_linalg_init gpu_linalg_shutdown gpu_xgemm gpu_xorthonormalize gpu_xtrsm gr_to_g grad_cart2red gran_potrec gran_potrec.F90 graph graph.F90 green_atomic_hubbard green_kernel green_kernel.F90 green_type GreenHyb greenldacompute_green grid_scalapack group_k_t groupk_free groupk_from_file gruns_anaddb gruns_fourq gruns_free gruns_new gruns_qmesh gruns_qpath gruns_t gs_hamiltonian_type gshgg_mkncwrite gsph_extend gsph_fft_tabs gsph_free gsph_g_idx gsph_gmg_fftidx gsph_gmg_idx gsph_in_fftbox gsph_init gsphere_t gstate gstate.F90 gstateimg gstateimg.F90 gtblk9 gtdyn9 gw_box2gsph gw_spectral_function gw_tools.F90 gwcompleteness.F90 gwls_ComputeCorrelationEnergy gwls_ComputeCorrelationEnergy.F90 gwls_ComputePoles gwls_ComputePoles.F90 gwls_DielectricArray gwls_DielectricArray.F90 gwls_GenerateEpsilon gwls_GenerateEpsilon.F90 gwls_GWanalyticPart gwls_GWanalyticPart.F90 gwls_GWlanczos gwls_GWlanczos.F90 gwls_hamiltonian gwls_hamiltonian.F90 gwls_LanczosBasis gwls_LanczosBasis.F90 gwls_LanczosResolvents gwls_LanczosResolvents.F90 gwls_lineqsolver gwls_lineqsolver.F90 gwls_model_polarisability gwls_model_polarisability.F90 gwls_polarisability gwls_polarisability.F90 gwls_Projected_AT gwls_Projected_AT.F90 gwls_Projected_BT gwls_Projected_BT.F90 gwls_QR_factorization gwls_QR_factorization.F90 gwls_sternheimer gwls_sternheimer.F90 gwls_TimingLog gwls_TimingLog.F90 gwls_valenceWavefunctions gwls_valenceWavefunctions.F90 gwls_wf gwls_wf.F90

H

H_D_distrib harmonic_thermo harmonic_thermo.F90 harmonics_terms_evaluateElastic harmonics_terms_evaluateIFC harmonics_terms_init harmonics_terms_type hartre hartre.F90 hartre1 hartre1.F90 hartrestr hartrestr.F90 has_BZ_item has_IBZ_item hash_final hash_init hash_update have_timelimit_in haydock_bilanczos haydock_bilanczos_optalgo haydock_herm haydock_herm_algo haydock_mdf_to_tensor haydock_psherm haydock_psherm_optalgo haydock_restart haydock_type hdr_bcast hdr_bsize_frecords hdr_check hdr_copy hdr_echo hdr_fort_read hdr_fort_write hdr_free hdr_get_occ3d hdr_init hdr_init_lowlvl hdr_io_int hdr_io_wfftype hdr_malloc hdr_mpio_skip hdr_ncread hdr_ncwrite hdr_nelect_fromocc hdr_read_from_fname hdr_set_occ hdr_skip_int hdr_skip_wfftype hdr_type hdr_update hdr_vs_dtset hdr_vs_dtset.F90 hdr_write_to_fname herald herald.F90 hermit hermit.F90 hermitianize_dpc hermitianize_spc hessinit hessupdt hexc_build_hinterp hexc_compute_hinterp hexc_compute_subhinterp hexc_free hexc_init hexc_interp_free hexc_interp_init hexc_interp_matmul hexc_interp_t hexc_matmul_elphon hexc_matmul_full hexc_matmul_tda hexc_t hilbert_transform hilbert_transform_headwings hist2var holocell holocell.F90 Hpsik Hpsikc hscr_bcast hscr_copy hscr_free hscr_from_file hscr_io hscr_malloc hscr_merge hscr_mpio_skip hscr_new hscr_print hscr_t hu_type hubbard_one hubbard_one.F90 hybrid_corr hybrid_corr.F90 hybridization_asymptotic_coefficient hybridization_asymptotic_coefficient.F90

I

i2s icf icip_green identity_matlu identity_oper identk idx_glob idx_loc idx_spatial_inversion ifc_autocutoff ifc_build_phbspl ifc_build_skw ifc_calcnwrite_nana_terms ifc_fourq ifc_free ifc_get_dwdq ifc_getiaf ifc_init ifc_mkphbs ifc_outphbtrap ifc_print ifc_printbxsf ifc_speedofsound ifc_test_phinterp ifc_type ifc_write ifclo9 ifermi12 ifermi32 ifermi52 ifermim12 ig2gfft ilm2lm im_screening imax_loc_int imax_loc_rdp imin_loc_int imin_loc_rdp importxyz importxyz.F90 impurity_solve impurity_solve.F90 ImpurityOperator imtqlx inarray inarray.F90 incomprs incomprs.F90 ind_positions_mklocl indefo indefo.F90 indefo1 indefo1.F90 indent indfftrisc indgrid indices_free indices_t indirect_parallel_Fourier indirect_parallel_Fourier.F90 indpos_mkcore_alt ingeo ingeo.F90 ingeo_img_1D ingeo_img_2D ingeobld ingeobld.F90 ini_wf_etsf init10 init10.F90 init_ init_atom init_ddiago_ctl init_distribfft init_distribfft_seq init_dmft init_e_field_vars init_e_field_vars.F90 init_electronpositron init_energy init_Er_from_file init_gemm_nonlop init_green init_green_tau init_hamiltonian init_hu init_invovl init_irrep init_lotf init_matlu init_matrix_scalapack Init_MetricRec init_mpi_enreg Init_nlpspRec init_occ_ent init_occ_ent.F90 init_oper init_peaks_even_dist init_peaks_from_grid init_primcell_ddb_info init_results_gs init_results_gs_array init_results_img init_results_out init_results_respfn init_rf_hamiltonian init_sc_dmft init_scalapack init_single_peak init_supercell init_supercell_for_qpt init_tetra init_transitions initaim initaim.F90 initang initberry initberry.F90 InitGPU initialize_operwan initialize_self initmpi_atom initmpi_atom.F90 initmpi_band initmpi_band.F90 initmpi_grid initmpi_grid.F90 initmpi_img initmpi_img.F90 initmpi_pert initmpi_pert.F90 initmpi_seq initmpi_seq.F90 initmpi_world initmpi_world.F90 initmv initmv.F90 InitRec InitRecGPU InitRecGPU_0 initrhoij initrhoij.F90 initro initro.F90 initwf initwf.F90 initylmg initylmg.F90 initylmr inkpts inkpts.F90 inpar inpar.F90 inpgkk inpgkk.F90 inprep8 inpspheads inpspheads.F90 inqpt inqpt.F90 inread inread.F90 inreplsp inreplsp.F90 inspln inspln.F90 instrng instrng.F90 int2char10 int2char4 int_alloc_work int_ang int_ang.F90 int_compute_corresp int_compute_overlaps int_fct int_free_work int_preprocess_tables intagm intagm.F90 integrate_gamma integrate_gamma.F90 integrate_gamma_alt integrate_gamma_alt.F90 integrate_gamma_tr integrate_gamma_tr.F90 integrate_gamma_tr_lova integrate_gamma_tr_lova.F90 integrate_green integrho integrho.F90 integvol integvol.F90 interpol3d interpol3d_indices interpolate_gkk interpolate_gkk.F90 interpolator_free interpolator_init interpolator_normalize interpolator_t intparms intrpl intrpl.F90 inupper inupper.F90 invacuum invacuum.F90 invars0 invars0.F90 invars1 invars1.F90 invars10 invars11 invars1m invars1m.F90 invars2 invars2.F90 invars2m invars2m.F90 invars9 invcb invcb.F90 inverse_matlu inverse_oper invert_general_matrix invovl_kpt_type inwffil inwffil.F90 ioarr ioddb8_in iofn1 iofn1.F90 iofn2 iomode2str iomode_from_fname ionion_realspace ionion_realspace.F90 ionion_surface ionion_surface.F90 ioniondist ioniondist.F90 ioprof ioprof.F90 ioscr_qmerge ioscr_qrecover ioscr_wmerge ioscr_wremove IRadFnH irreducible_set_pert irreducible_set_pert.F90 irrep_free_0d irrep_free_1d irrep_t irrzg irrzg.F90 is_connected is_digit_0D is_integer_0D is_integer_1D is_letter is_open is_open_fname is_zero_rdp_0D is_zero_rdp_1d isalchemical isamek isdiagmat_int isdiagmat_rdp isequalk iseven isfile isfile.F90 isncfile isopress isordered isostress isotemp isotemp.F90 isymmorphic iter2_alloc iter2_free iter2_lbound iter2_len iter2_print iter2_push iter2_size iter2_t iter2_ubound iter2_yield itoa iwrite_fftdatar

J

jacobi jacobi.F90 jellium jellium.F90 jlspline_free jlspline_integral jlspline_new jobz_plasma

K

k0.F90 k1.F90 k2gamma_centered k_fermi k_neighbors k_neighbors.F90 k_thfermi kbkb_to_kb kdata_free_0D kdata_free_1D kdata_init kdata_t kg2seqblocks kg_map kgindex kgindex.F90 klmn2ijlmn kmesh_free kmesh_init kmesh_print kmesh_t kpath_free kpath_new kpath_print kpath_t kpgcount kpgio kpgio.F90 kpgsph kpgstr kpgstr.F90 kpoints_binding_auto_k_1 kpoints_binding_auto_k_2 kpoints_binding_mp_k_1 kpoints_binding_mp_k_2 kpoints_get_auto_k_grid kpoints_get_irreductible_zone kpoints_get_mp_k_grid kptfine_av kptfine_av.F90 kptrank_index kptrank_type kpts_ibz_from_kptrlatt kpts_timrev_from_kptopt kramerskronig kramerskronig.F90 ks_ddiago ks_ddiago.F90 kss_calc_vkb ktoa kvars_t kxc_ADA kxc_alda kxc_driver kxc_eok kxc_local kxc_pgg kxc_rpa

L

l2norm_rdp laguerre lapackprof lapackprof.F90 laparams_t laplacian laplacian.F90 latom_wan_type lbfgs lbfgs_destroy lbfgs_execute lbfgs_init lcalcu ldau_self ldau_self.F90 leave_new leave_new.F90 lebedev_free lebedev_laikov_int lebedev_new lebedev_t lfind lgroup_free lgroup_new lgroup_t lib_four.F90 libpaw_basename libpaw_die libpaw_flush libpaw_get_free_unit libpaw_indent libpaw_leave libpaw_libxc_check libpaw_libxc_constants_load libpaw_libxc_end libpaw_libxc_family_from_id libpaw_libxc_fullname libpaw_libxc_get_hybridparams libpaw_libxc_getid libpaw_libxc_getvxc libpaw_libxc_gga_from_hybrid libpaw_libxc_has_kxc libpaw_libxc_init libpaw_libxc_is_hybrid libpaw_libxc_isgga libpaw_libxc_ismgga libpaw_libxc_ixc libpaw_libxc_nspin libpaw_libxc_set_hybridparams libpaw_libxc_set_tb09 libpaw_lock_and_write libpaw_log_flag_set libpaw_lstrip libpaw_msg_hndl libpaw_netcdf_check libpaw_spmsg_getcount libpaw_spmsg_mpisum libpaw_write_comm_set libpaw_write_lines libpaw_wrtout libpaw_wrtout_myproc libxc_functionals libxc_functionals_check libxc_functionals_constants_load libxc_functionals_end libxc_functionals_family_from_id libxc_functionals_fullname libxc_functionals_get_hybridparams libxc_functionals_getid libxc_functionals_getvxc libxc_functionals_gga_from_hybrid libxc_functionals_has_kxc libxc_functionals_init libxc_functionals_is_hybrid libxc_functionals_isgga libxc_functionals_ismgga libxc_functionals_ixc libxc_functionals_nspin libxc_functionals_set_hybridparams libxc_functionals_set_tb09 lin_interpq_gam lin_interpq_gam.F90 linalg_allow_gemm3m linalg_allow_plasma linalg_ext linear_optics_paw linear_optics_paw.F90 linelop linemin linemin.F90 linfit_dpc linfit_rdp linfit_spc linmin linmin.F90 linopt linvmat list2blocks ListCdagC listkk listkk.F90 littlegroup_free_0D littlegroup_free_1D littlegroup_init littlegroup_pert littlegroup_pert.F90 littlegroup_print littlegroup_q littlegroup_q.F90 littlegroup_t ljust llsfit_svd lm_fit_print_info lmdif lmdif1 lmpar ln_matlu load_k_hamiltonian load_k_rf_hamiltonian load_kprime_hamiltonian load_spin_hamiltonian load_spin_rf_hamiltonian lobpcgwf lobpcgwf.F90 loc_glob loc_oper local_forces_new local_forces_wvl local_ks_green local_ks_green.F90 localfilnam localrdfile localredirect localwrfile locate_sym lock_and_write lorbital2_type lorbital_type lotf_extrapolation lotf_interpolation lotfparam_init lotfpath lower lpad lprtmat lstrip ltoa_dp ltoa_int lubksb ludcmp ludcmp.F90 lwl_free lwl_init lwl_t lwl_write lxyz.F90

M

m_ab7_invars_f90 m_ab7_invars_f90.F90 m_ab7_kpoints m_ab7_kpoints.F90 m_ab7_mixing m_ab7_mixing.F90 m_ab7_symmetry m_ab7_symmetry.F90 m_abi2big m_abi2big.F90 m_abi_etsf m_abi_etsf.F90 m_abi_gpu_linalg m_abi_linalg m_abi_linalg.F90 m_abihist m_abihist.F90 m_abiimages m_abiimages.F90 m_abilasi m_abilasi.F90 m_abimover m_abimover.F90 m_anaddb_dataset m_anaddb_dataset.F90 m_anharmonics_terms m_anharmonics_terms.F90 m_argparse m_argparse.F90 m_args_gs m_args_gs.F90 m_array m_array.F90 m_atom m_atom.F90 m_atomdata m_atomdata.F90 m_atprj m_atprj.F90 m_band2eps_dataset m_band2eps_dataset.F90 m_bandfft_kpt m_bandfft_kpt.F90 m_BathOperator m_BathOperator.F90 m_BathOperator/ BathOperator_destroy m_BathOperator/BathOperator_activateParticle m_BathOperator/BathOperator_checkM m_BathOperator/BathOperator_doCheck m_BathOperator/BathOperator_getDetAdd m_BathOperator/BathOperator_getDetF m_BathOperator/BathOperator_getDetRemove m_BathOperator/BathOperator_getError m_BathOperator/BathOperator_hybrid m_BathOperator/BathOperator_init m_BathOperator/BathOperator_initF m_BathOperator/BathOperator_printF m_BathOperator/BathOperator_printM m_BathOperator/BathOperator_reset m_BathOperator/BathOperator_setF m_BathOperator/BathOperator_setMAdd m_BathOperator/BathOperator_setMRemove m_BathOperator/BathOperator_swap m_bfgs m_bfgs.F90 m_blas m_blas.F90 m_bond_lotf.F90 m_bs_defs m_bs_defs.F90 m_bse_io m_bse_io.F90 m_bseinterp m_bseinterp.F90 m_bspline m_bspline.F90 m_build_info m_build_info.F90 m_build_info/dump_config m_bz_mesh m_bz_mesh.F90 m_cgtools m_cgtools.F90 m_chi0 m_chi0.F90 m_clib m_clib.F90 m_copy m_copy.F90 m_cplxtools m_cplxtools.F90 m_cppopts_dumper m_cppopts_dumper.F90 m_cppopts_dumper/dump_cpp_options m_crystal m_crystal.F90 m_crystal_io m_crystal_io.F90 m_Ctqmc m_Ctqmc.F90 m_Ctqmc/Ctqmc_allocateAll m_Ctqmc/Ctqmc_allocateOpt m_Ctqmc/Ctqmc_clear m_Ctqmc/Ctqmc_computeF m_Ctqmc/Ctqmc_destroy m_Ctqmc/Ctqmc_getD m_Ctqmc/Ctqmc_getE m_Ctqmc/Ctqmc_getGreen m_Ctqmc/Ctqmc_getResult m_Ctqmc/Ctqmc_init m_Ctqmc/Ctqmc_loop m_Ctqmc/Ctqmc_measCorrelation m_Ctqmc/Ctqmc_measN m_Ctqmc/Ctqmc_measPerturbation m_Ctqmc/Ctqmc_printAll m_Ctqmc/Ctqmc_printCorrelation m_Ctqmc/Ctqmc_printD m_Ctqmc/Ctqmc_printE m_Ctqmc/Ctqmc_printGreen m_Ctqmc/Ctqmc_printPerturbation m_Ctqmc/Ctqmc_printQMC m_Ctqmc/Ctqmc_printSpectra m_Ctqmc/Ctqmc_reset m_Ctqmc/Ctqmc_run m_Ctqmc/Ctqmc_setG0wTab m_Ctqmc/Ctqmc_setMu m_Ctqmc/Ctqmc_setParameters m_Ctqmc/Ctqmc_setSeed m_Ctqmc/Ctqmc_setSweeps m_Ctqmc/Ctqmc_setU m_Ctqmc/Ctqmc_symmetrizeGreen m_Ctqmc/Ctqmc_tryAddRemove m_Ctqmc/Ctqmc_trySwap m_CtqmcInterface m_CtqmcInterface.F90 m_CtqmcInterface/CtqmcInterface_finalize m_CtqmcInterface/CtqmcInterface_init m_CtqmcInterface/CtqmcInterface_run m_CtqmcInterface/CtqmcInterface_setOpts m_CtqmcInterface/CtqmcInterface_setSweeps m_cut3d m_cut3d.F90 m_data4entropyDMFT m_data4entropyDMFT.F90 m_data4entropyDMFT/data4entropyDMFT_init m_data4entropyDMFT/data4entropyDMFT_setDc m_data4entropyDMFT/data4entropyDMFT_setDocc m_data4entropyDMFT/data4entropyDMFT_setHu m_data4entropyDMFT/data4etotdmf_destroy m_ddb m_ddb.F90 m_ddb_hdr m_ddb_hdr.F90 m_ddk m_ddk.F90 m_defs_ptgroups m_defs_ptgroups.F90 m_dens m_dens.F90 m_dfpt_io m_dfpt_io.F90 m_dfti m_dfti.F90 m_distribfft m_distribfft.F90 m_double_grid m_double_grid.F90 m_dtset m_dtset.F90 m_dvdb m_dvdb.F90 m_dynmat m_dynmat.F90 m_dyson_solver m_dyson_solver.F90 m_ebands m_ebands.F90 m_effective_potential m_effective_potential.F90 m_effective_potential_file m_effective_potential_file.F90 m_effpot_mpi m_effpot_mpi.F90 m_efield m_efield.F90 m_efmas m_efmas.F90 m_efmas_defs m_efmas_defs.F90 m_eig2d m_eig2d.F90 m_electronpositron m_electronpositron.F90 m_elpa m_elpa.F90 m_energies m_energies.F90 m_energy m_energy.F90 m_entropyDMFT m_entropyDMFT.F90 m_entropyDMFT/entropyDMFT_addIntegrand m_entropyDMFT/entropyDMFT_allocateAll m_entropyDMFT/entropyDMFT_computeEntropy m_entropyDMFT/entropyDMFT_destroy m_entropyDMFT/entropyDMFT_dump m_entropyDMFT/entropyDMFT_init m_entropyDMFT/entropyDMFT_integrate m_entropyDMFT/entropyDMFT_nextLambda m_entropyDMFT/entropyDMFT_restart m_epjdos m_epjdos.F90 m_eprenorms m_eprenorms.F90 m_errors m_errors.F90 m_esymm m_esymm.F90 m_eval_lotf.F90 m_ewald m_ewald.F90 m_exc_diago m_exc_diago.F90 m_exc_itdiago m_exc_itdiago.F90 m_exc_spectra m_exc_spectra.F90 m_exit m_exit.F90 m_exp_mat m_exp_mat.F90 m_fft m_fft.F90 m_fft_mesh m_fft_mesh.F90 m_FFT_prof m_fft_prof.F90 m_fftcore m_fftcore.F90 m_FFTHyb m_FFTHyb.F90 m_FFTHyb/FFTHyb_destroy m_FFTHyb/FFTHyb_getData m_FFTHyb/FFTHyb_init m_FFTHyb/FFTHyb_mirror m_FFTHyb/FFTHyb_run m_FFTHyb/FFTHyb_setData m_fftw3 m_fftw3.F90 m_fit_polynomial_coeff m_fit_polynomial_coeff.F90 m_fock m_fock.F90 m_fold2block m_fold2block.F90 m_fstab m_fstab.F90 m_fstrings m_fstrings.F90 m_ga m_ga.F90 m_gaussian_quadrature m_gaussian_quadrature.F90 m_gemm_nonlop m_gemm_nonlop.F90 m_geometry m_geometry.F90 m_gkk m_gkk.F90 m_global m_global.F90 m_global/ERROR m_global/WARN m_global/WARNALL m_glue_lotf.F90 m_gpu_detect m_gpu_detect.F90 m_green m_green.F90 m_GreenHyb m_GreenHyb.F90 m_GreenHyb/GreenHyb_backFourier m_GreenHyb/GreenHyb_clear m_GreenHyb/GreenHyb_destroy m_GreenHyb/GreenHyb_forFourier m_GreenHyb/GreenHyb_getHybrid m_GreenHyb/GreenHyb_init m_GreenHyb/GreenHyb_measHybrid m_GreenHyb/GreenHyb_print m_GreenHyb/GreenHyb_reset m_GreenHyb/GreenHyb_setMoments m_GreenHyb/GreenHyb_setMuD1 m_GreenHyb/GreenHyb_setN m_GreenHyb/GreenHyb_setOperW m_gruneisen m_gruneisen.F90 m_gsphere m_gsphere.F90 m_gwdefs m_gwdefs.F90 m_gwls_utility m_gwls_utility.F90 m_hamiltonian m_hamiltonian.F90 m_harmonics_terms m_harmonics_terms.F90 m_hash_md5 m_hash_md5.F90 m_haydock m_haydock.F90 m_haydock_io m_haydock_io.F90 m_hdr m_hdr.F90 m_hexc m_hexc.F90 m_hidecudarec m_hidecudarec.F90 m_hu m_hu.F90 m_ifc m_ifc.F90 m_ImpurityOperator m_ImpurityOperator.F90 m_ImpurityOperator/ImpurityOperator_activateParticle m_ImpurityOperator/ImpurityOperator_add m_ImpurityOperator/ImpurityOperator_checkOverlap m_ImpurityOperator/ImpurityOperator_cleanOverlaps m_ImpurityOperator/ImpurityOperator_computeU m_ImpurityOperator/ImpurityOperator_destroy m_ImpurityOperator/ImpurityOperator_doCheck m_ImpurityOperator/ImpurityOperator_getAvailableTime m_ImpurityOperator/ImpurityOperator_getAvailedTime m_ImpurityOperator/ImpurityOperator_getError m_ImpurityOperator/ImpurityOperator_getErrorOverlap m_ImpurityOperator/ImpurityOperator_getNewOverlap m_ImpurityOperator/ImpurityOperator_getSegment m_ImpurityOperator/ImpurityOperator_getTraceAdd m_ImpurityOperator/ImpurityOperator_getTraceRemove m_ImpurityOperator/ImpurityOperator_init m_ImpurityOperator/ImpurityOperator_measDE m_ImpurityOperator/ImpurityOperator_measN m_ImpurityOperator/ImpurityOperator_overlapFlavor m_ImpurityOperator/ImpurityOperator_overlapIJ m_ImpurityOperator/ImpurityOperator_overlapSegFlav m_ImpurityOperator/ImpurityOperator_overlapSwap m_ImpurityOperator/ImpurityOperator_printLatex m_ImpurityOperator/ImpurityOperator_remove m_ImpurityOperator/ImpurityOperator_reset m_ImpurityOperator/ImpurityOperator_setMu m_ImpurityOperator/ImpurityOperator_setUmat m_ImpurityOperator/ImpurityOperator_swap m_ingeo_img m_ingeo_img.F90 m_initcuda m_initcuda.F90 m_invovl m_invovl.F90 m_io_kss m_io_kss.F90 m_io_redirect m_io_redirect.F90 m_io_screening m_io_screening.F90 m_io_tools m_io_tools.F90 m_ioarr m_ioarr.F90 m_iowf m_iowf.F90 m_iterators m_iterators.F90 m_kptrank m_kptrank.F90 m_kpts m_kpts.F90 m_kxc m_kxc.F90 m_lbfgs m_lbfgs.F90 m_lebedev m_lebedev.F90 m_levenberg_marquardt m_levenberg_marquardt.F90 m_libpaw_defs m_libpaw_defs.F90 m_libpaw_libxc m_libpaw_libxc.F90 m_libpaw_libxc_funcs m_libpaw_mpi m_libpaw_mpi.F90 m_libpaw_tools m_libpaw_tools.F90 m_libxc_functionals.F90 m_linalg_interfaces m_linalg_interfaces.F90 m_ListCdagC m_ListCdagC.F90 m_ListCdagC/listCdagC_assign m_ListCdagC/ListCdagC_clear m_ListCdagC/ListCdagC_destroy m_ListCdagC/ListCdagC_enlarge m_ListCdagC/ListCdagC_erase m_ListCdagC/ListCdagC_firstHigherThanReal m_ListCdagC/ListCdagC_init m_ListCdagC/ListCdagC_insert m_ListCdagC/ListCdagC_popBack m_ListCdagC/ListCdagC_print m_ListCdagC/ListCdagC_pushBack m_ListCdagC/ListCdagC_quickSort m_ListCdagC/ListCdagC_setSize m_ListCdagC/ListCdagC_sort m_ListCdagC/ListCdagC_swap m_lmn_indices m_lmn_indices.F90 m_lobpcg m_lobpcg.F90 m_lobpcgwf m_lobpcgwf.F90 m_lotf.F90 m_MapHyb m_MapHyb.F90 m_MapHyb/MapHyb_assign m_MapHyb/MapHyb_clear m_MapHyb/MapHyb_destroy m_MapHyb/MapHyb_enlarge m_MapHyb/MapHyb_init m_MapHyb/MapHyb_print m_MapHyb/MapHyb_quickSort m_MapHyb/MapHyb_setSize m_MapHyb/MapHyb_sort m_matlu m_matlu.F90 m_matrix m_matrix.F90 m_MatrixHyb m_MatrixHyb.F90 m_MatrixHyb/MatrixHyb_assign m_MatrixHyb/MatrixHyb_clear m_MatrixHyb/MatrixHyb_destroy m_MatrixHyb/MatrixHyb_enlarge m_MatrixHyb/MatrixHyb_getDet m_MatrixHyb/MatrixHyb_init m_MatrixHyb/MatrixHyb_inverse m_MatrixHyb/MatrixHyb_LU m_MatrixHyb/MatrixHyb_print m_MatrixHyb/MatrixHyb_setSize m_melemts m_melemts.F90 m_mep m_mep.F90 m_model_screening m_model_screening.F90 m_mpinfo m_mpinfo.F90 m_mpiotk m_mpiotk.F90 m_multibinit_dataset m_multibinit_dataset.F90 m_nctk m_nctk.F90 m_nesting m_nesting.F90 m_numeric_tools m_numeric_tools.F90 m_oper m_oper.F90 m_optic_tools m_optic_tools.F90 m_optim_dumper m_optim_dumper.F90 m_optim_dumper/dump_optim m_oscillators.F90 m_OurRng m_OurRng.F90 m_OurRng/OurRng m_paral_atom m_paral_atom.F90 m_paral_pert m_paral_pert.F90 m_paw_an m_paw_an.F90 m_paw_atom m_paw_atom.F90 m_paw_dmft m_paw_dmft.F90 m_paw_finegrid m_paw_finegrid.F90 m_paw_gaussfit m_paw_gaussfit.F90 m_paw_ij m_paw_ij.F90 m_paw_io m_paw_io.F90 m_paw_numeric m_paw_numeric.F90 m_paw_pwaves_lmn m_paw_pwaves_lmn.F90 m_paw_slater m_paw_slater.F90 m_paw_sphharm m_paw_sphharm.F90 m_pawang m_pawang.F90 m_pawcprj m_pawcprj.F90 m_pawdij m_pawdij.F90 m_pawfgr m_pawfgr.F90 m_pawfgrtab m_pawfgrtab.F90 m_pawhr m_pawhr.F90 m_pawpsp m_pawpsp.F90 m_pawpwij m_pawpwij.F90 m_pawrad m_pawrad.F90 m_pawrhoij m_pawrhoij.F90 m_pawtab m_pawtab.F90 m_pawxc m_pawxc.F90 m_pawxmlps m_pawxmlps.F90 m_pbc_lotf.F90 m_per_cond m_per_cond.F90 m_phgamma m_phgamma.F90 m_phonons m_phonons.F90 m_phpi m_phpi.F90 m_pimd m_pimd.F90 m_plowannier m_plowannier.F90 m_polynomial_coeff m_polynomial_coeff.F90 m_polynomial_conf m_polynomial_conf.F90 m_polynomial_term m_polynomial_term.F90 m_ppmodel m_ppmodel.F90 m_pptools m_pptools.F90 m_pred_lotf m_pred_lotf.F90 m_pred_lotf/pred_lotf m_pretty_rec m_pretty_rec.F90 m_primcell_ddb_info m_primcell_ddb_info.F90 m_profiling_abi m_profiling_abi.F90 m_pseudo_pwscf m_pseudo_pwscf.F90 m_psps m_psps.F90 m_psxml2ab m_psxml2ab.F90 m_ptgroups m_ptgroups.F90 m_qparticles m_qparticles.F90 m_random_zbq m_random_zbq.F90 m_rec m_rec.F90 m_rec_tools m_rec_tools.F90 m_results_gs m_results_gs.F90 m_results_img m_results_img.F90 m_results_out m_results_out.F90 m_results_respfn.F90 m_results_results m_rf2 m_rf2.F90 m_scf_history m_scf_history.F90 m_scfcv m_scfcv.F90 m_scfcv/scfcv_destroy m_scfcv/scfcv_init m_scfcv/scfcv_run m_scfcv/scfcv_runWEntropyDMFT m_scfcv/scfcv_scfcv m_screen m_screen.F90 m_screening m_screening.F90 m_self m_self.F90 m_sg2002 m_sg2002.F90 m_sgfft m_sgfft.F90 m_shirley m_shirley.F90 m_sigma m_sigma.F90 m_sigmaph m_sigmaph.F90 m_skw m_skw.F90 m_slk m_slk.F90 m_sort m_sort.F90 m_sorth_ph m_sortph.F90 m_special_funcs m_special_funcs.F90 m_specialmsg m_specialmsg.F90 m_spectra m_spectra.F90 m_splines m_splines.F90 m_Stat m_Stat.F90 m_Stat/Stat_linearReg m_Stat/Stat_powerReg m_strain m_strain.F90 m_supercell m_supercell.F90 m_tetrahedron m_tetrahedron.F90 m_time m_time.F90 m_tools_lotf.F90 m_use_ga.F90 m_vcoul m_vcoul.F90 m_Vector m_Vector.F90 m_Vector/Vector_clear m_Vector/Vector_destroy m_Vector/Vector_enlarge m_Vector/Vector_init m_Vector/Vector_print m_Vector/Vector_pushBack m_Vector/Vector_setSize m_VectorInt m_VectorInt.F90 m_VectorInt/VectorInt_clear m_VectorInt/VectorInt_destroy m_VectorInt/VectorInt_enlarge m_VectorInt/VectorInt_init m_VectorInt/VectorInt_print m_VectorInt/VectorInt_pushBack m_VectorInt/VectorInt_setSize m_vkbr m_vkbr.F90 m_wfd.F90 m_wffile m_wffile.F90 m_wfk m_wfk.F90 m_wfutils m_wfutils.F90 m_work_var_lotf.F90 m_xc_vdw m_xc_vdw.F90 m_xc_vdw/vdw_df_create_mesh m_xc_vdw/vdw_df_filter m_xc_vdw/vdw_df_indexof m_xc_vdw/vdw_df_internal_checks m_xc_vdw/vdw_df_interpolate m_xc_vdw/vdw_df_kernel m_xc_vdw/vdw_df_kernel_value m_xc_vdw/vdw_df_ldaxc m_xc_vdw/vdw_df_set_tweaks m_xc_vdw/vdw_df_tweaks_type m_xc_vdw/vdw_df_write_func m_xc_vdw/xc_vdw_aggregate m_xc_vdw/xc_vdw_done m_xc_vdw/xc_vdw_energy m_xc_vdw/xc_vdw_get_params m_xc_vdw/xc_vdw_init m_xc_vdw/xc_vdw_libxc_init m_xc_vdw/xc_vdw_memcheck m_xc_vdw/xc_vdw_read m_xc_vdw/xc_vdw_set_functional m_xc_vdw/xc_vdw_set_params m_xc_vdw/xc_vdw_show m_xc_vdw/xc_vdw_status m_xc_vdw/xc_vdw_trigger m_xc_vdw/xc_vdw_type m_xc_vdw/xc_vdw_write m_xg.F90 m_xgTools m_xieee m_xieee.F90 m_xmpi m_xmpi.F90 m_xomp m_xomp.F90 m_xpapi m_xpapi.F90 m_xredistribute m_xredistribute.F90 macro_uj_type macroave macroave.F90 macroin macroin.F90 macroin2 macroin2.F90 mag_constr mag_constr.F90 mag_constr_e mag_constr_e.F90 make_angles make_angles_new make_bigbox make_bonds make_bonds_new make_dihedrals make_efg_el make_efg_el.F90 make_efg_ion make_efg_ion.F90 make_efg_onsite make_efg_onsite.F90 make_epsm1_driver make_fc_paw make_fc_paw.F90 make_gemm_nonlop make_grad_berry make_grad_berry.F90 make_gvec_kss make_indklmn make_indlmn make_indln make_invovl make_istwk_table make_klm2lm make_kln2ln make_mesh make_path make_prim_internals make_qmcshift_self make_transitions MapHyb mask2blocks massmult_and_breaksym mat_mlms2jmj mat_slm2ylm mati3det mati3det.F90 mati3inv mati3inv.F90 matlu_type MATMUL_DP MATMUL_DPC matpointsym matpointsym.F90 matr3eigval matr3eigval.F90 matr3inv matr3inv.F90 matrginv matrginv.F90 matrix_from_complexmatrix matrix_from_global matrix_from_global_sym matrix_from_realmatrix matrix_function_epsilon_k matrix_function_epsilon_model_operator matrix_function_preconditioned_Hamiltonian matrix_get_local_cplx matrix_get_local_real matrix_scalapack matrix_set_local_cplx matrix_set_local_real matrix_to_complexmatrix matrix_to_global matrix_to_realmatrix matrix_to_reference matrixelmt_g MatrixHyb mblktyp1 mblktyp1.F90 mblktyp5 mblktyp5.F90 mcsrch mcstep md5_check md5_sum_from_file md5_sum_from_string mdfs_ncwrite mdielf_bechstedt mean_fftr meanvalue_g meanvalue_g.F90 melements_free melements_herm melements_init melements_mpisum melements_print melements_t melements_zero melflags_copy melflags_reset melflags_t mels_get_exene_core memana memana.F90 memkss memorf memorf.F90 memory memory.F90 memory_eval memory_eval.F90 mep_destroy mep_gbfgs mep_img_dotp mep_img_dotp_red mep_img_norm mep_img_norm_red mep_init mep_lbfgs mep_qmin mep_rk4 mep_steepest mep_type merge_and_sort_kg merge_kgirr metcon metcon.F90 metcon_so metcon_so.F90 metric metric.F90 metric_so metric_so.F90 metricrec_type metstr metstr.F90 midpoint_ mincm mk_hdr_check_fmt mk_irredpert mk_irredpert.F90 mka2f mka2f.F90 mka2f_tr mka2f_tr.F90 mka2f_tr_lova mka2f_tr_lova.F90 mka2fQgrid mka2fQgrid.F90 mkcore mkcore.F90 mkcore_alt mkcore_inner mkcore_inner.F90 mkcore_paw mkcore_paw.F90 mkcore_wvl mkcore_wvl.F90 mkcore_wvl_old mkdenpos mkdenpos.F90 mkdump_Er mkem1_q0 mkeuler mkeuler.F90 mkffkg mkffkg.F90 mkffnl mkffnl.F90 mkfilename mkfilename.F90 mkfskgrid mkfskgrid.F90 mkfsqgrid mkfsqgrid.F90 mkgrid_fft mkgrid_fft.F90 mkherm mkkin mkkin.F90 mkkpg mkkpg.F90 mkkptrank mklocl mklocl.F90 mklocl_realspace mklocl_realspace.F90 mklocl_recipspace mklocl_recipspace.F90 mklocl_wavelets mklocl_wavelets.F90 mknesting mknormpath mknormpath.F90 mkph_linwid mkph_linwid.F90 mkphbs mkphdos mkqptequiv mkqptequiv.F90 mkradim mkradim.F90 mkrdim mkrdim.F90 mkresi mkresi.F90 mkrho mkrho.F90 mkrhotwg_sigma mkstar mkstar_dk1 mkstar_dk2 mksubham mksubham.F90 mksupercell mksupercell.F90 mlwfovlp mlwfovlp.F90 mlwfovlp_proj mlwfovlp_proj.F90 mlwfovlp_projpaw mlwfovlp_projpaw.F90 mlwfovlp_pw mlwfovlp_pw.F90 mlwfovlp_qp mlwfovlp_qp.F90 mlwfovlp_radial mlwfovlp_radial.F90 mlwfovlp_seedname mlwfovlp_seedname.F90 mlwfovlp_setup mlwfovlp_setup.F90 mlwfovlp_ylmfac mlwfovlp_ylmfac.F90 mlwfovlp_ylmfar mlwfovlp_ylmfar.F90 mod_prc_memory mod_prc_memory.F90 moddiel moddiel.F90 moddiel_csrb moddiel_csrb.F90 modify_Lbasis_Coulomb mover mover.F90 mover_effpot mover_effpot.F90 mpi_distrib_is_ok mpi_setup mpi_setup.F90 MPI_type mpifft_collect_datar mpifft_dbox2fg mpifft_dbox2fg_dpc mpifft_dbox2fr mpifft_dbox2fr_dpc mpifft_fg2dbox mpifft_fg2dbox_dpc mpifft_fr2dbox mpifft_fr2dbox_dpc mpio_read_eigocc_k mpio_read_kg_k mpio_write_eigocc_k mpio_write_kg_k mpiotk_read_fsuba_dp2D mpiotk_read_fsuba_dpc3D mpiotk_read_fsuba_dpc4D mpiotk_write_fsuba_dp2D mpiswitch mpiswitch_cent mprod mrgddb mrgddb.F90 mrgdv mrgdv.F90 mrggkk mrggkk.F90 mrgscr mrgscr.F90 msg_hndl msig msig.F90 mttk_fin mttk_ini mttk_type mult_table multibinit multibinit.F90 multibinit_dataset_type multibinit_dtset_free multipoles_fftr multipoles_fftr.F90 multipoles_out multipoles_out.F90 multithreaded_getghc multithreaded_getghc.F90 multpot mvrecord my_calc_wfwfg.F90 my_hdr_skip my_locc my_locr my_mode2str my_select_melements my_sort

N

name_of nanal9 nbe nc_ihr_comm ncfdim_t ncname_from_id nctab_copy nctab_eval_tcorespl nctab_eval_tvalespl nctab_free nctab_init nctab_mixalch nctab_t nctk_add_etsf_header nctk_def_array_list nctk_def_basedims nctk_def_dim_list nctk_def_dpscalars nctk_def_iscalars nctk_def_one_array nctk_def_one_dim nctk_def_scalars_type nctk_defnwrite_dpvars nctk_defnwrite_ivars nctk_defwrite_nonana_terms nctk_fort_or_ncfile nctk_get_dim nctk_idname nctk_ncify nctk_open_create nctk_open_modify nctk_open_read nctk_read_datar nctk_set_atomic_units nctk_set_collective nctk_set_datamode nctk_set_defmode nctk_string_from_occopt nctk_test_mpiio nctk_try_fort_or_ncfile nctk_write_datar nctk_write_dpscalars nctk_write_ibz nctk_write_iscalars nctkarr_t nctkerr_t nctkvar_t ncwrite_eigen1_occ nderiv nderiv_gen nderiv_lin netcdf_check new_self new_setup_ppmodel new_token newfermie1 newfermie1.F90 NewK newkpt newkpt.F90 newocc newocc.F90 newrap_step newrho newrho.F90 newton newton.F90 newvtr newvtr.F90 next_token nfd nfourier ngfft_seq nhatgrid nhatgrid.F90 nlenergyrec nlenergyrec.F90 nlinopt nlopt nlpsprec_type nmsq_gam nmsq_gam.F90 nmsq_gam_sumfs nmsq_gam_sumfs.F90 nmsq_pure_gkk nmsq_pure_gkk.F90 nmsq_pure_gkk_sumfs nmsq_pure_gkk_sumfs.F90 no_mpiotk no_scalapack nonlinear nonlinear.F90 nonlinopt nonlop nonlop.F90 nonlop_gpu nonlop_gpu.F90 nonlop_pl nonlop_pl.F90 nonlop_test nonlop_test.F90 nonlop_ylm nonlop_ylm.F90 norm_k norm_kc normalization_plowannier normalize normalizepsichi normsq_gkq normsq_gkq.F90 normv_int_vector normv_int_vector_array normv_rdp_vector normv_rdp_vector_array nres2vres nres2vres.F90 nullify nullify_mpi_enreg nullify_results_img nullify_wvl_data nullify_wvl_data.F90 num_opened_units

O

occeig occeig.F90 occup_fd occup_green_tau occupfd odamix odamix.F90 offset_in_file old_fftw3_mpifourdp omega_decomp onestep onestep.F90 open_file open_haydock oper_type opernl2 opernl2.F90 opernl3 opernl3.F90 opernl4a opernl4a.F90 opernl4b opernl4b.F90 opernla_ylm opernla_ylm.F90 opernlb_ylm opernlb_ylm.F90 opernlc_ylm opernlc_ylm.F90 opernld_ylm opernld_ylm.F90 operwan_realspace_type operwan_type optic optic.F90 optics_paw optics_paw.F90 optics_paw_core optics_paw_core.F90 optics_vloc optics_vloc.F90 orbital_type order_fs_kpts order_fs_kpts.F90 order_supercell_typat order_wannier ordr ortho_reim orthogonalize out1dm out1dm.F90 out_acknowl out_acknowl.F90 out_geometry_xml out_phpi out_phpi_nc out_resultsgs_xml outbsd outbsd.F90 outddbnc outddbnc.F90 outelph outelph.F90 outg2f outgkk outgkk.F90 outkss outkss.F90 outnesting outphdos output_chi0sumrule output_epsilon_eigenvalues output_results output_Sigma_A_by_eigenvalues outqmc outqmc.F90 outscfcv outscfcv.F90 outvar_a_h outvar_a_h.F90 outvar_i_n outvar_i_n.F90 outvar_o_z outvar_o_z.F90 outvars outvars.F90 outvars_anaddb outvars_band2eps outvars_multibinit outwant outwant.F90 outwf outxfhist outxfhist.F90 outxml.F90 outxml_finalise outxml_open overlap_g overlap_g.F90 ovlp_diago_and_prune ovlp_diff ovlp_free ovlp_init ovlp_t ovlp_wann

P

pack_eneocc pack_matrix pade parchk pareigocc pareigocc.F90 parse_yesno parsefile parsefile.F90 partial_dos_fractions partial_dos_fractions.F90 partial_dos_fractions_paw partial_dos_fractions_paw.F90 paw2wvl paw2wvl.F90 paw2wvl_ij paw2wvl_ij.F90 paw_an_copy paw_an_free paw_an_gather paw_an_init paw_an_isendreceive_fillbuffer paw_an_isendreceive_getbuffer paw_an_nullify paw_an_print paw_an_redistribute paw_an_reset_flags paw_an_type paw_begin_element1 paw_check_symcprj paw_cross_ihr_comm paw_cross_rho_tw_g paw_derfc paw_dijhf paw_dmft_type paw_end_element1 paw_gencond paw_ihr paw_ij_copy paw_ij_free paw_ij_gather paw_ij_init paw_ij_isendreceive_fillbuffer paw_ij_isendreceive_getbuffer paw_ij_nullify paw_ij_print paw_ij_redistribute paw_ij_reset_flags paw_ij_type paw_jbessel paw_jbessel_4spline paw_mkdijexc_core paw_mknewh0 paw_mknewh0.F90 paw_mkrhox paw_mkrhox_spl paw_overlap paw_phirotphj paw_pwaves_lmn_free paw_pwaves_lmn_init paw_pwaves_lmn_t paw_qpscgw paw_qpscgw.F90 paw_rdfromline paw_rho_tw_g paw_setup_copy paw_setup_free paw_setup_t paw_sigxcore paw_smooth paw_solvbes paw_sort_dp paw_spline paw_splint paw_splint_der paw_symcprj paw_symcprj.F90 paw_symcprj_op pawaccrhoij pawaccrhoij.F90 pawang_free pawang_init pawang_lsylm pawang_type pawcprj_alloc pawcprj_axpby pawcprj_bcast pawcprj_conjg pawcprj_copy pawcprj_free pawcprj_gather_spin pawcprj_get pawcprj_getdim pawcprj_lincom pawcprj_mpi_allgather pawcprj_mpi_exch pawcprj_mpi_recv pawcprj_mpi_send pawcprj_mpi_sum pawcprj_output pawcprj_put pawcprj_reorder pawcprj_set_zero pawcprj_symkn pawcprj_transpose pawcprj_type pawcprj_zaxpby pawdata_chunk pawdenpot pawdenpot.F90 pawdensities pawdensities.F90 pawdfptenergy pawdfptenergy.F90 pawdij pawdij2e1kb pawdij2ekb pawdij_gather pawdijexxc pawdijfock pawdijfr pawdijhartree pawdijhat pawdijnd pawdijso pawdiju pawdijxc pawdijxcm pawexpiqr pawfgr_destroy pawfgr_init pawfgr_nullify pawfgr_type pawfgrtab_copy pawfgrtab_free pawfgrtab_gather pawfgrtab_init pawfgrtab_isendreceive_fillbuffer pawfgrtab_isendreceive_getbuffer pawfgrtab_nullify pawfgrtab_print pawfgrtab_redistribute pawfgrtab_type pawgrnl pawgrnl.F90 pawgylm pawgylmg pawgylmg.F90 pawhur_free pawhur_init pawhur_t pawinit pawinit.F90 pawio_print_ij pawmkaewf pawmkaewf.F90 pawmknhat pawmknhat.F90 pawmknhat_psipsi pawmknhat_psipsi.F90 pawmkrho pawmkrho.F90 pawmkrhoij pawmkrhoij.F90 pawnabla_init pawnabla_init.F90 pawnhatfr pawnhatfr.F90 pawpolev pawpolev.F90 pawprt pawprt.F90 pawpsp_17in pawpsp_7in pawpsp_bcast pawpsp_calc pawpsp_calc_d5 pawpsp_cg pawpsp_check_xml_upf pawpsp_consistency pawpsp_header_type pawpsp_lo pawpsp_main pawpsp_nl pawpsp_read pawpsp_read_corewf pawpsp_read_header pawpsp_read_header_2 pawpsp_read_header_xml pawpsp_read_pawheader pawpsp_rw_atompaw pawpsp_vhar2rho pawpsp_wvl pawpsp_wvl_calc pawpsp_wvl_sin2gauss pawpsxml2ab pawpsxml2ab.F90 pawpupot pawpuxinit pawpuxinit.F90 pawpwff_free pawpwff_init pawpwff_t pawpwij_free_d1 pawpwij_free_d2 pawpwij_init pawpwij_t pawr pawrad_bcast pawrad_copy pawrad_deducer0 pawrad_free_0D pawrad_free_1D pawrad_ifromr pawrad_init pawrad_isame pawrad_print pawrad_type pawrfgd_fft pawrfgd_wvl pawrhoij_alloc pawrhoij_bcast pawrhoij_copy pawrhoij_free pawrhoij_free_unpacked pawrhoij_gather pawrhoij_get_nspden pawrhoij_init_unpacked pawrhoij_io pawrhoij_isendreceive_fillbuffer pawrhoij_isendreceive_getbuffer pawrhoij_mpisum_unpacked_1D pawrhoij_mpisum_unpacked_2D pawrhoij_nullify pawrhoij_redistribute pawrhoij_type pawrhoij_unpack pawsushat pawsushat.F90 pawtab_bcast pawtab_free_0D pawtab_free_1D pawtab_get_lsize pawtab_nullify_0D pawtab_nullify_1D pawtab_print pawtab_set_flags_0D pawtab_set_flags_1D pawtab_type pawuenergy pawuenergy.F90 pawuj_det pawuj_det.F90 pawuj_drive pawuj_drive.F90 pawuj_free pawuj_ini pawuj_ini.F90 pawuj_red pawuj_red.F90 pawuj_utils.F90 pawxc pawxc3 pawxc_drivexc_abinit pawxc_drivexc_libxc pawxc_drivexc_wrapper pawxc_mkdenpos_local pawxc_mkdenpos_wrapper pawxc_size_dvxc_local pawxc_size_dvxc_wrapper pawxc_xcmult_local pawxc_xcmult_wrapper pawxc_xcpositron_abinit pawxc_xcpositron_local pawxc_xcpositron_wrapper pawxcm pawxcm3 pawxcmpositron pawxcpositron pawxcsph pawxcsph3 pawxcsphpositron pawxcsum pawxenergy pawxenergy.F90 pawxpot pbc_aa_contract pbc_bb_contract pbc_bb_proj pbc_init pbc_lotf pc_k_valence_kernel pdtqrc per_cond_int per_cond_int3 per_cond_re per_dist_int per_dist_int1 per_dist_int3 perms permutations pfactorize ph1d3d ph1d3d.F90 phase phase.F90 phbspl_evalq phbspl_free phbspl_t phdispl_cart2red phdos_calc_vsound phdos_free phdos_ncwrite phdos_print phdos_print_msqd phdos_print_vsound phgamma_eval_qibz phgamma_finalize phgamma_free phgamma_init phgamma_interp phgamma_interp_setup phgamma_linwid phgamma_t phgamma_vv_eval_qibz phgamma_vv_interp phgamma_vv_interp_setup phi_n_calc phim phonon_dos_type phonons_ncwrite phonons_write_gnuplot phonons_write_phfrq phonons_write_xmgrace phonons_writeEPS pick_aname pimd_apply_constraint pimd_coord_transform pimd_destroy pimd_diff_stress pimd_energies pimd_force_transform pimd_forces pimd_init pimd_init_qtb pimd_initvel pimd_is_restart pimd_langevin_forces pimd_langevin_npt pimd_langevin_npt.F90 pimd_langevin_nvt pimd_langevin_nvt.F90 pimd_langevin_random pimd_langevin_random_bar pimd_langevin_random_init pimd_langevin_random_qtb pimd_mass_spring pimd_noseehoover_forces pimd_nosehoover_npt pimd_nosehoover_npt.F90 pimd_nosehoover_nvt pimd_nosehoover_nvt.F90 pimd_nosehoover_propagate pimd_nullify pimd_predict_taylor pimd_predict_verlet pimd_print pimd_skip_qtb pimd_stresses pimd_temperature pimd_type pinterp pinterp_nolinear Pk Pk_model Pk_model_implementation_1 pl_deriv plint plint.F90 plm_coeff plm_d2theta plm_dphi plm_dtheta plowannier_type pmat2cart pmat_renorm point_group_free point_group_init point_group_print point_group_t poisson polcart polcart.F90 polish_irreps polyn_interp polynomial_coeff_broadcast polynomial_coeff_evaluate polynomial_coeff_free polynomial_coeff_getName polynomial_coeff_init polynomial_coeff_MPIrecv polynomial_coeff_MPIsend polynomial_coeff_setCoefficient polynomial_coeff_setName polynomial_coeff_type polynomial_conf_evaluate polynomial_conf_free polynomial_conf_init polynomial_conf_type polynomial_term_free polynomial_term_init polynomial_term_type posdoppler posdoppler.F90 position_wan_type poslifetime poslifetime.F90 posratecore posratecore.F90 ppm_free ppm_get_qbz ppm_init ppm_mallocq ppm_nullify ppm_symmetrizer ppm_table_free ppm_times_ket ppmodel_t prc_mem_free prc_mem_init prcref prcref.F90 prcref_PMA prcref_PMA.F90 prcrskerker1 prcrskerker1.F90 prcrskerker2 prcrskerker2.F90 pre_gather pre_scatter prec_simple prec_simple.F90 precondition precondition_cplx pred_bfgs pred_bfgs.F90 pred_delocint pred_delocint.F90 pred_diisrelax pred_diisrelax.F90 pred_hmc pred_hmc.F90 pred_isokinetic pred_isokinetic.F90 pred_isothermal pred_isothermal.F90 pred_langevin pred_langevin.F90 pred_lbfgs pred_lbfgs.F90 pred_moldyn pred_moldyn.F90 pred_nose pred_nose.F90 pred_simple pred_simple.F90 pred_srkna14 pred_srkna14.F90 pred_steepdesc pred_steepdesc.F90 pred_velverlet pred_velverlet.F90 pred_verlet pred_verlet.F90 predict_copy predict_copy.F90 predict_ga predict_neb predict_neb.F90 predict_pimd predict_pimd.F90 predict_steepest predict_steepest.F90 predict_string predict_string.F90 predictimg predictimg.F90 prep_bandfft_tabs prep_bandfft_tabs.F90 prep_calc_ucrpa prep_calc_ucrpa.F90 prep_dash prep_fourwf prep_fourwf.F90 prep_getghc prep_getghc.F90 prep_index_wavef_bandpp prep_index_wavef_bandpp.F90 prep_nonlop prep_nonlop.F90 prep_sort_wavef_spin prep_sort_wavef_spin.F90 prep_wavef_sym_do prep_wavef_sym_do.F90 prep_wavef_sym_undo prep_wavef_sym_undo.F90 prepareValenceWavefunctions print_arr1d_dpc print_arr1d_spc print_arr2d_dpc print_arr2d_spc print_atom print_bonds print_bs_files print_bs_parameters print_dmft print_efmas print_energy print_fofr_cube print_fofr_ri print_fofr_xyzri print_green print_gsphere print_hu print_kinds print_matlu print_ngfft print_oper print_operwan print_peaks print_sc_dmft print_self print_sigma_melems print_Sigma_perturbative print_Sigma_QPSC print_symmetries printbxsf printmagvtk printmagvtk.F90 printocc_green printplot_matlu printvee_hu printvtk printxsf prmat proc_distrb_cycle proc_distrb_cycle.F90 processor_scalapack prod_matlu prod_oper prof_fourdp prof_fourwf prof_rhotwg progress projbd ProjectedSternheimerEpsilon projector_wan_type prompt_exit prompt_int0D prompt_int1D prompt_int2D prompt_rdp0d prompt_rdp1D prompt_rdp2D prompt_string prt_cif prt_cif.F90 prt_device_info prt_gkk_yambo prt_gkk_yambo.F90 prt_mem_usage prtefield prtefield.F90 prteigrs prteigrs.F90 prtene prtene.F90 prtfatbands prtimg prtimg.F90 prtnatom prtocc prtocc.F90 prtposcar prtposcar.F90 prtrhomxmn prtrhomxmn.F90 prtspgroup prtspgroup.F90 prttagm prttagm.F90 prttagm_images prttagm_images.F90 prtworkadv prtworksim prtworksiRe prtxf prtxf.F90 prtxfase prtxfase.F90 prtxvf prtxvf.F90 prune_g1mg2 psddb8 psden psden.F90 pseudopotential_gth_type pseudopotential_type psichi_check psichi_print psichi_renormalization psichi_renormalization.F90 psml_die PSolver Psolver_hartree psolver_hartree.F90 psolver_kernel psolver_kernel.F90 Psolver_rhohxc psolver_rhohxc.F90 psp10in psp10in.F90 psp10nl psp10nl.F90 psp11lo psp11lo.F90 psp11nl psp11nl.F90 psp1cc psp1cc.F90 psp1in psp1in.F90 psp1lo psp1lo.F90 psp1nl psp1nl.F90 psp2in psp2in.F90 psp2lo psp2lo.F90 psp2nl psp2nl.F90 psp2params_copy psp2params_free psp2params_init psp3in psp3in.F90 psp3nl psp3nl.F90 psp4cc psp4cc.F90 psp5in psp5in.F90 psp5lo psp5lo.F90 psp5nl psp5nl.F90 psp6cc psp6cc.F90 psp6cc_drh psp6cc_drh.F90 psp6in psp6in.F90 psp8cc psp8cc.F90 psp8in psp8in.F90 psp8lo psp8lo.F90 psp8nl psp8nl.F90 psp9cc psp9cc.F90 psp9in psp9in.F90 psp_dump_outputs psp_dump_outputs.F90 pspatm pspatm.F90 pspcor pspcor.F90 pspheader_paw_type pspheader_type pspheads_comm pspheads_comm.F90 pspini pspini.F90 pspnl_hgh_rec pspnl_hgh_rec.F90 pspnl_operat_rec pspnl_operat_rec.F90 psps_copy psps_free psps_init_from_dtset psps_init_global psps_ncwrite psps_print psxml2abfull ptabs_fourdp ptabs_fourwf ptg_C1 ptg_C1.F90 ptg_C2 ptg_C2.F90 ptg_C2h ptg_C2h.F90 ptg_C2v ptg_C2v.F90 ptg_C3 ptg_C3.F90 ptg_C3h ptg_C3h.F90 ptg_C3i ptg_C3i.F90 ptg_C3v ptg_C3v.F90 ptg_C4 ptg_C4.F90 ptg_C4h ptg_C4h.F90 ptg_C4v ptg_C4v.F90 ptg_C6 ptg_C6.F90 ptg_C6h ptg_C6h.F90 ptg_C6v ptg_C6v.F90 ptg_Ci ptg_Ci.F90 ptg_Cs ptg_Cs.F90 ptg_D2 ptg_D2.F90 ptg_D2d ptg_D2d.F90 ptg_D2h ptg_D2h.F90 ptg_D3 ptg_D3.F90 ptg_D3d ptg_D3d.F90 ptg_D3h ptg_D3h.F90 ptg_D4 ptg_D4.F90 ptg_D4h ptg_D4h.F90 ptg_D6 ptg_D6.F90 ptg_D6h ptg_D6h.F90 ptg_O ptg_O.F90 ptg_Oh ptg_Oh.F90 ptg_S4 ptg_S4.F90 ptg_T ptg_T.F90 ptg_Td ptg_Td.F90 ptg_Th ptg_Th.F90 ptgmadata ptgmadata.F90 put_eneocc_vect pw_orthon pw_orthon.F90

Q

q0dy3_apply q0dy3_calc q0limit qijb_kk qijb_kk.F90 qmatrix qmatrix.F90 qmc_prep_ctqmc qmc_prep_ctqmc.F90 qmr qrfac qrsolv quadrature quote

R

r2s r8_gamma_gq r8mat_write RadFnH radial_func_t radial_grid_t radsintr radsintr.F90 radsmear radsmear.F90 ramansus ramansus.F90 randac randac.F90 random_stopping_power random_stopping_power.F90 randomcellpos randomcellpos.F90 rayleigh_ritz.F90 rayleigh_ritz_distributed rayleigh_ritz_subdiago rchkGSheader rchkgsheader.F90 rdddb9 rdfromline rdfromline_value rdgw rdnpw rdnpw.F90 rdp2cdp_1D rdp2cdp_2D rdp2cdp_3D rdp2cdp_4D rdp2cdp_5D rdp2cdp_6D rdpawpsxml rdpawpsxml_core rdqps re_and_im_screening re_and_im_screening_with_phase re_screening read_atomden read_atomden.F90 read_blok8 read_chkunit read_dim_haydock read_el_veloc read_el_veloc.F90 read_gkk read_gkk.F90 read_haydock read_md_hist read_md_hist_img read_plowannier read_plowannier.F90 read_primcell_ddb_info read_rhor read_screening read_string read_vars_hist read_wfd readocc_dmft readwf realgaunt recGPU_type recip_ylm recursion recursion.F90 recursion_nl recursion_nl.F90 recursion_type reddd redgr redgr.F90 reduce relaxpol relaxpol.F90 remove_copies remove_inversion remove_inversion.F90 remove_phase removesp renorm_bst replace replace_ch0 repr_1trans repr_2trans reshape_pot respfn respfn.F90 results_gs_ncwrite results_gs_type results_img_type results_out_type results_respfn_type reverse_int reverse_rdp rf2_accumulate_bands rf2_apply_hamiltonian rf2_destroy rf2_getidirs rf2_init rf2_init.F90 rf2_t rf_hamiltonian_type rf_transgrid_and_pack rfactorial rho_devs rho_tw_g rhohxc rhohxc.F90 rhohxcpositron rhohxcpositron.F90 rhop_value rhophi rhotov rhotov.F90 ritz_analysis_general rmquotes rmtabfromline rotate_cprj rotate_FFT_mesh rotate_fqg rotate_matlu rotate_rho rotate_rho.F90 rotatevee_hu rotmat rotmat.F90 round_brackets rpa_symepsm1 rrs_of_glob rsurf rsurf.F90 rule_write rw_self rwRecordMarker rwwf rwwf.F90

S

s_to_i4 s_to_r8 saveocc_dmft sbf8 sbf8.F90 scalewf_nonlop scalewf_nonlop.F90 scatter_array_img scf_history_free scf_history_init scf_history_nullify scf_history_type scfcge scfcge.F90 scfcv scfcv.F90 scfcv_t scfeig scfeig.F90 scfopt scfopt.F90 scprod_k scprod_kc scprqt scprqt.F90 scqf scramble screen_fgg_qbz_set screen_free screen_ihave_fgg screen_info_print screen_info_t screen_init screen_mdielf screen_nullify screen_symmetrizer screen_t screen_times_ket screen_w0gemv screened_coul_kernel screening screening.F90 sec2str self_type sentinel sequential_fitting set_backtrace_onerr set_dielectric_function_frequency set_istwfk set_mpi_enreg_fft set_pert_comm set_pert_paw set_precondition set_wf setdevice_cuda setmesh setmqgrid setmqgrid.F90 setnoccmmp setnoccmmp.F90 setrhoijpbe0 setrhoijpbe0.F90 setshells setsym setsym.F90 setsymrhoij setsymrhoij.F90 setup1 setup1.F90 setup2 setup_bse setup_bse.F90 setup_bse_interp setup_bse_interp.F90 setup_fsuba_dp2D setup_G_rotation setup_k_rotation setup_Lanczos_basis setup_LanczosResolvents setup_Pk_model setup_positron setup_positron.F90 setup_ppmodel setup_screening setup_screening.F90 setup_sigma setup_sigma.F90 setup_spectral setup_timing_log setvtr setvtr.F90 setWFParameter sg2002_accrho sg2002_applypot sg2002_applypot_many sg2002_back sg2002_forw sg2002_mpiback_wf sg2002_mpiforw_wf sg2002_mpifourdp sg_ctrig sg_fft_cc sg_fft_rc sg_fftpad sg_fftpx sg_fftrisc sg_fftrisc_2 sg_fftx sg_ffty sg_fftz sg_multable sg_poisson sgqf shape_function_t shapefunc1 shapefunc1_0 shapefunc2 shapefunc2_0 shapefunc3 shellstruct shellstruct.F90 shift_matlu shirley_bands shirley_hks shirley_interp shirley_window show_backtrace show_character_tables show_QP show_units shparams_t shres_free_0D shres_free_2D shres_init shres_t side_plasma sigijtab_free sigma sigma.F90 sigma_bksmask sigma_distribute_bks sigma_free sigma_get_exene sigma_init sigma_is_herm sigma_ncwrite sigma_needs_ppm sigma_needs_w sigma_t sigma_tables sigma_type_from_key sigmaph sigmaph_free sigmaph_new sigmaph_print sigmaph_setup_kcalc sigmaph_solve sigmaph_t sigparams_free sigparams_t simp_gen simple_j_dia simple_j_dia.F90 simpson simpson_cplx simpson_int sincos sincos.F90 size_dvxc size_dvxc.F90 size_goed_fft sjoin_2 sjoin_3 sjoin_4 sjoin_5 sjoin_6 sjoin_7 skip_dim_haydock skip_kss_record skw_eval_bks skw_eval_fft skw_free skw_new skw_print skw_t slat_intg slatang_cshell_free slatang_cshell_init slatang_cshell_t slatrad_cshell_free slatrad_cshell_init slatrad_cshell_t slatrad_free_0D slatrad_free_1D slatrad_init slatrad_t slk_bsize_and_type slk_matrix_from_global_dpc_1Dp slk_matrix_from_global_dpc_2D slk_matrix_to_global_dpc_2D slk_my_rclist slk_pzgemm slk_pzheev slk_pzheevx slk_pzhegvx slk_read slk_single_fview_read slk_single_fview_read_mask slk_single_fview_write slk_symmetrize slk_write slk_zdhp_invert slk_zinvert slm2ylm_matlu slxyzs smallfit smallprim smallprim.F90 smatrix smatrix.F90 smatrix_k_paw smatrix_k_paw.F90 smatrix_pawinit smatrix_pawinit.F90 smeared_delta smeared_delta.F90 smooth smpbz smpbz.F90 solve_dyson solve_inner sort_dp sort_int sort_tetra SortC sortph space spatialchempot spatialchempot.F90 specialmsg_getcount specialmsg_mpisum specialmsg_setcount spectra_free spectra_init spectra_repr spectra_t spectra_write spectral_function spectral_function.F90 spgdata spgdata.F90 sphere sphere_fft sphere_fft1 sphereboundary sphereboundary.F90 sphericaldens spin_current spin_current.F90 splfit spline spline_bicubic spline_c spline_complex spline_fct spline_integrate spline_paw_fncs spline_paw_fncs.F90 splint splint_complex split_work sqmat_iconjgtrans_dpc sqmat_iconjgtrans_spc sqmat_itranspose_dp sqmat_itranspose_dpc sqmat_itranspose_sp sqmat_itranspose_spc sqmat_oconjgtrans_dpc sqmat_oconjgtrans_spc sqmat_otranspose_dp sqmat_otranspose_dpc sqmat_otranspose_sp sqmat_otranspose_spc sqmr sqnorm_g sqnorm_v sqnormm_v sqnormm_v.F90 sqrt_vc_k startswith state_t stats_eval stats_t status status.F90 str2sec str2wfktask str2xtype strain_type strainsym strainsym.F90 strcat_2 strcat_3 strcat_4 strconv strconv.F90 stress stress.F90 stresssym stresssym.F90 strfock strhar strhar.F90 strsocv strsocv.F90 subdiago subdiago.F90 sum_irreps summ_2gaunt sumrule.F90 supercell_type surf surf.F90 suscep_stat suscep_stat.F90 susk susk.F90 suskmm suskmm.F90 switch switch_cent switchreal switchreal_cent sygrad sygrad.F90 sym2cart sym_matlu sym_rhotwgq0 symanal symanal.F90 symatm symatm.F90 symaxes symaxes.F90 symbol2znucl symbol_type symbols_crystal symbrav symbrav.F90 symcharac symcharac.F90 symchk symchk.F90 symdet symdet.F90 symdij symdij_all symdm9 symdyma symfind symfind.F90 symg symg.F90 symgamma symgamma.F90 symkchk symkchk.F90 symkpt symkpt.F90 symlatt symlatt.F90 symlist_bcc symlist_bcc.F90 symlist_fcc symlist_fcc.F90 symlist_others symlist_others.F90 symlist_prim symlist_prim.F90 symmetrize_afm_chi0 symmetrize_dpc symmetrize_rprimd symmetrize_rprimd.F90 symmetrize_spc symmetrize_xred symmetrize_xred.F90 symplanes symplanes.F90 symptgroup symptgroup.F90 symredcart symredcart.F90 symrel2string symrelrot symrelrot.F90 symrhg symrhg.F90 symrhoij symsgcube symsgcube.F90 symsghexa symsghexa.F90 symsgmono symsgmono.F90 symsgortho symsgortho.F90 symsgtetra symsgtetra.F90 symspgr symspgr.F90 sys_exit system_ddb2effpot system_getDimFromXML system_xml2effpot sytens

T

t_tetrahedron table_gbig2kg tddft tddft.F90 tdexcsdtiit terms_compare test_abifiles test_charge test_ftgkk test_ftgkk.F90 test_md5_sum_from_file.F90 test_md5_sum_from_string.F90 test_radsintr.F90 test_xginv test_xml_xmlpaw_upf testcode_ctqmc testcode_ctqmc.F90 testfi testfi.F90 testkgrid testkgrid.F90 testsusmat testsusmat.F90 tetra_blochl_weights tetra_from_kptrlatt tetra_get_onewk tetra_write tetralib_has_mpi tf tfek tgamma_symm thermal_supercell_free thermal_supercell_make thermal_supercell_print thmeig thmeig.F90 timab timab.F90 timana timana.F90 time_accu time_accu.F90 time_fftbox time_fftu time_fourdp time_fourwf time_get_papiopt time_rhotwg time_set_papiopt timein timein.F90 times_eigr times_eikr to_upper tolower tools_lotf toupper trace2 trace2.F90 trace_matlu trace_oper trans_plasma transgrid transgrid.F90 transition trapezoidal_ trimzero trottersum ts_usug_kkp_bz tuneparms

U

udens_inglis_hu udens_slatercondon_hu uderiv uderiv.F90 ujdet ujdet.F90 unfill unfill_cent uniformrandom uniformrandom.F90 unit_matrix_cdp unit_matrix_int unit_matrix_rdp unmpiswitch unmpiswitch_cent unpack_eneocc unscramble unset_mpi_enreg_fft unset_pert_comm unset_pert_paw unset_precondition unsetdevice_cuda unswitch unswitch_cent unswitchreal unswitchreal_cent unused_ch unused_cplx_dpc unused_cplx_spc unused_int unused_logical unused_real_dp unused_real_sp upd_lis upd_lis0 update_cprj update_e_field_vars update_e_field_vars.F90 updt_m_lda_to_qp upf2abinit upf2abinit.F90 upfheader2abi upfheader2abi.F90 upfold_oper upfxc2abi uplo_plasma upper uppert_index use_cgemm3m use_zgemm3m usur_kkp_bz

V

v1phq_complete v1phq_rotate v1phq_symmetrize valence_states_t var2hist var_from_id var_from_name varname_from_fname vcoul_free vcoul_init vcoul_plot vcoul_print vcoul_t vdiff_eval vdiff_print vdiff_t vdot vdotw_rc_vector vdotw_rr_vector vdw_df_netcdf_ioerr vdw_dftd2 vdw_dftd2.F90 vdw_dftd3 vdw_dftd3.F90 vdw_dftd3_data vdw_dftd3_data.F90 vdw_kernelgen vdw_kernelgen.F90 vec_int vec_prod vecp Vector VectorInt vee2udens_hu vee2udensatom_hu vee_ndim2tndim_hu vee_ndim2tndim_hu_r vee_slm2ylm_hu vee_ylm2jmj_hu vel2hist vel_rescale vel_to_gauss vgh_rho vgh_rho.F90 vhtnzc vhtnzc.F90 vkbr_free_0D vkbr_free_1D vkbr_init vkbr_t vloc_zero_mklocl vlocalstr vlocalstr.F90 vn_nl_rec vn_nl_rec.F90 vnorm vnorm.F90 vso_realspace_local vso_realspace_local.F90 vtorho vtorho.F90 vtorhorec vtorhorec.F90 vtorhotf vtorhotf.F90 vtowfk vtowfk.F90 vv10limit

W

wave_copy_0D wave_free_0D wave_free_3D wave_init_0D wave_t waveformat waveformat.F90 wf_block_distribute wfconv wfconv.F90 wfcopy wfd_all_mgq0 wfd_bands_of_rank wfd_barrier wfd_bks_distrb wfd_bloch_to_shirley wfd_change_ngfft wfd_copy wfd_copy_cg wfd_distribute_bands wfd_distribute_bbp wfd_distribute_kb_kpbp wfd_dump_errinfo wfd_dur_isk wfd_everybody_has_ug wfd_extract_cgblock wfd_free wfd_from_wfk wfd_get_cprj wfd_get_many_ur wfd_get_ug wfd_get_ur wfd_iam_master wfd_ihave wfd_ihave_cprj wfd_ihave_ug wfd_ihave_ur wfd_init wfd_iterator_bks wfd_itreat_spin wfd_mkall_ur wfd_mkrho wfd_mkrho.F90 wfd_mybands wfd_norm2 wfd_nullify wfd_paw_get_aeur wfd_pawrhoij wfd_pawrhoij.F90 wfd_plot_ur wfd_print wfd_ptr_ug wfd_ptr_ur wfd_push_ug wfd_rank_has_ug wfd_read_wfk wfd_reset_ur_cprj wfd_rotate wfd_sanity_check wfd_set_mpicomm wfd_shirley_to_eh wfd_show_bkstab wfd_sym_ur wfd_t wfd_test_ortho wfd_ug2cprj wfd_update_bkstab wfd_vnlpsi wfd_vnlpsi.F90 wfd_wave_free wfd_who_has_ug wfd_write_wfk wfd_xdotc wff_ireadf90 wff_usef90 WffClose WffDelete wffile_type WffKg WffOffset WffOpen WffReadDataRec_dp1d WffReadDataRec_dp2d WffReadEigK WffReadEigK.F90 WffReadNpwRec WffReadSkipK WffReadSkipK.F90 WffReadSkipRec WffReadWrite_mpio WffWriteDataRec_dp1d WffWriteDataRec_dp2d WffWriteDataRec_int2d WffWriteNpwRec wfk_analyze wfk_analyze.F90 wfk_check_wfkfile wfk_close wfk_compare wfk_compute_offsets wfk_create_wfkfile wfk_diff wfk_findk wfk_nc2fort wfk_ncdef_dims_vars wfk_open_read wfk_open_write wfk_print wfk_prof wfk_read_band_block wfk_read_bks wfk_read_bmask wfk_read_ebands wfk_read_eigenvalues wfk_read_eigk wfk_read_h1mat wfk_rewind wfk_seek wfk_show_offsets wfk_t wfk_tofullbz wfk_update_f90ptr wfk_validate_ks wfk_write_band_block wfk_write_h1mat wfsinp wfsinp.F90 wght9 which_irrep wigner_seitz wings3 work_var_dealloc work_var_lotf work_var_set wrap2_pmhalf wrap2_zero_one wrap_CGEEV wrap_CHEEV wrap_CHPEV wrap_DSYEV_ZHEEV wrap_DSYEVX_ZHEEVX wrap_DSYGV_ZHEGV wrap_DSYGVX_ZHEGVX wrap_ZGEEV wrap_ZHEEV wrap_ZHEEVX wrap_ZHEGV wrap_ZHEGVX wrap_ZHPEV write_block_lanczos_timing_log write_csts_hist write_dim_haydock write_eig write_eig.F90 write_haydock write_int_0d write_kss_header write_kss_wfgk write_lines write_md_hist write_md_hist_img write_primcell_ddb_info write_rdp_0d write_screening write_sigma_header write_sigma_results write_text_block_in_Timing_log write_timing_log write_var_netcdf write_var_netcdf.F90 write_vars_hist write_vkb writeq_int_0D writeq_rdp_0D writewf wrqps wrt_moldyn_netcdf wrt_moldyn_netcdf.F90 wrtloctens wrtloctens.F90 wrtout wrtout.F90 wrtout_myproc wvl_comm_eigen wvl_cprjreorder wvl_cprjreorder.F90 wvl_data wvl_denspot_free wvl_denspot_free.F90 wvl_denspot_set wvl_denspot_set.F90 wvl_denspot_type wvl_descr_atoms_set wvl_descr_atoms_set.F90 wvl_descr_atoms_set_sym wvl_descr_atoms_set_sym.F90 wvl_descr_free wvl_descr_free.F90 wvl_descr_psp_fill wvl_descr_psp_set wvl_descr_psp_set.F90 wvl_eigen_abi2big wvl_energy_terms wvl_hpsitopsi wvl_hpsitopsi.F90 wvl_initro wvl_initro.F90 wvl_internal_type wvl_memory wvl_memory.F90 wvl_mkrho wvl_mkrho.F90 wvl_nhatgrid wvl_nhatgrid.F90 wvl_nl_gradient wvl_nl_gradient.F90 wvl_nscf_loop wvl_nscf_loop_bigdft wvl_occ wvl_occ_abi2big wvl_occ_bigdft wvl_occopt_abi2big wvl_paw_free wvl_paw_free.F90 wvl_prcref wvl_prcref.F90 wvl_projectors_free wvl_projectors_free.F90 wvl_projectors_set wvl_projectors_set.F90 wvl_projectors_type wvl_psitohpsi wvl_psitohpsi.F90 wvl_read wvl_rho_abi2big wvl_rhov_abi2big_1D_1D wvl_rhov_abi2big_1D_2D wvl_rhov_abi2big_1D_4D wvl_rhov_abi2big_2D_1D wvl_rhov_abi2big_2D_2D wvl_rhov_abi2big_2D_4D wvl_rhov_abi2big_gen wvl_rwwf.F90 wvl_setBoxGeometry wvl_setboxgeometry.F90 wvl_setngfft wvl_setngfft.F90 wvl_tail_corrections wvl_tail_corrections.F90 wvl_vhartr_abi2big wvl_vtrial_abi2big wvl_vxc_abi2big wvl_wf_type wvl_wfs_free wvl_wfs_free.F90 wvl_wfs_lr_copy wvl_wfs_lr_copy.F90 wvl_wfs_set wvl_wfs_set.F90 wvl_wfsinp_disk wvl_wfsinp_disk.F90 wvl_wfsinp_reformat wvl_wfsinp_reformat.F90 wvl_wfsinp_scratch wvl_wfsinp_scratch.F90 wvl_write wvlpaw_allocate wvlpaw_free wvlpaw_nullify wvlpaw_rholoc_free wvlpaw_rholoc_nullify wvlpaw_rholoc_type wvlpaw_type

X

xc_char_to_c xc_char_to_f xc_functional_t xcart2deloc xcart2deloc.F90 xcart2xred xcart2xred.F90 xcden xcden.F90 xchcth xchcth.F90 xchelu xchelu.F90 xchybrid_ncpp_cc xchybrid_ncpp_cc.F90 xciit xciit.F90 xclb xclb.F90 xcmult xcmult.F90 xcpbe xcpbe.F90 xcpositron xcpositron.F90 xcpot xcpot.F90 xcpzca xcpzca.F90 xcspol xcspol.F90 xctetr xctetr.F90 xctfw xctfw.F90 xcwign xcwign.F90 xcxalp xcxalp.F90 xdefineOff xderiveRead_dp xderiveRead_dp1d xderiveRead_dp2d xderiveRead_dp2d_displ xderiveRead_int xderiveRead_int1d xderiveRead_int2d xderiveRead_int2d_displ xderiveReadVal_char xderiveRRecEnd xderiveRRecInit xderiveWRecEnd xderiveWRecInit xderiveWrite_char xderiveWrite_dp xderiveWrite_dp1d xderiveWrite_dp2d xderiveWrite_dp2d_displ xderiveWrite_dp2d_seq xderiveWrite_int xderiveWrite_int1d xderiveWrite_int2d xderiveWrite_int2d_displ xfh_recover_deloc xfh_recover_deloc.F90 xfh_recover_new xfh_recover_new.F90 xfh_update xfh_update.F90 xfpack_f2vout xfpack_f2vout.F90 xfpack_vin2x xfpack_vin2x.F90 xfpack_x2vin xfpack_x2vin.F90 xg_finalize xg_free xg_get xg_init xg_set xg_setBlock xgBlock_add xgBlock_colwiseCaxmy xgBlock_colwiseMulC xgBlock_colwiseMulR xgBlock_colwiseNorm2 xgBlock_copy xgBlock_cshift xgBlock_diagonal xgBlock_gemmC xgBlock_gemmR xgBlock_get xgBlock_getSize xgBlock_heev xgBlock_heevd xgBlock_hegvd xgBlock_hegvx xgBlock_hgev xgBlock_hpev xgBlock_hpevd xgBlock_hpgv xgBlock_hpgvd xgBlock_hpgvx xgBlock_map xgBlock_one xgBlock_pack xgBlock_potrf xgBlock_print xgBlock_reshape xgBlock_reverseMap xgBlock_scaleC xgBlock_scaleR xgBlock_set xgBlock_setBlock xgBlock_trsmC xgBlock_trsmR xgBlock_zero xieee_halt_ifexc xieee_signal_ifexc xlf_set_sighandler xmoveOff xmpi_abort xmpi_allgather xmpi_allgather.finc xmpi_allgather_char xmpi_allgather_dp1d xmpi_allgather_dp2d xmpi_allgather_dp3d xmpi_allgather_dp4d xmpi_allgather_int xmpi_allgather_int1d xmpi_allgather_int2d xmpi_allgatherv.finc xmpi_allgatherv_coeff2d xmpi_allgatherv_coeff2d_indx xmpi_allgatherv_dp xmpi_allgatherv_dp2d xmpi_allgatherv_dp3d xmpi_allgatherv_dp4d xmpi_allgatherv_dp5d xmpi_allgatherv_dp6d xmpi_allgatherv_int xmpi_allgatherv_int1_dp1 xmpi_allgatherv_int2d xmpi_alltoall xmpi_alltoall.finc xmpi_alltoall_dp2d xmpi_alltoall_dp4d xmpi_alltoall_int xmpi_alltoallv.finc xmpi_alltoallv_dp1d xmpi_alltoallv_dp1d2 xmpi_alltoallv_dp2d xmpi_alltoallv_int2d xmpi_barrier xmpi_bcast.finc xmpi_bcast_ch0d xmpi_bcast_ch1d xmpi_bcast_coeff2_1d xmpi_bcast_coeffi2_1d xmpi_bcast_cplx1d xmpi_bcast_cplx2d xmpi_bcast_cplx3d xmpi_bcast_cplx4d xmpi_bcast_cplxv xmpi_bcast_dc1d xmpi_bcast_dc2d xmpi_bcast_dc3d xmpi_bcast_dc4d xmpi_bcast_dcv xmpi_bcast_dp1d xmpi_bcast_dp2d xmpi_bcast_dp3d xmpi_bcast_dp4d xmpi_bcast_dp5d xmpi_bcast_dp6d xmpi_bcast_dpv xmpi_bcast_int1d xmpi_bcast_int2d xmpi_bcast_int3d xmpi_bcast_intv xmpi_bcast_log0d xmpi_bcast_sp1d xmpi_bcast_sp2d xmpi_bcast_sp3d xmpi_bcast_sp4d xmpi_bcast_spv xmpi_comm_create xmpi_comm_free_0D xmpi_comm_free_1D xmpi_comm_free_2D xmpi_comm_free_3D xmpi_comm_group xmpi_comm_rank xmpi_comm_set_errhandler xmpi_comm_size xmpi_comm_split xmpi_comm_translate_ranks xmpi_distab_4D xmpi_distrib_with_replicas xmpi_end xmpi_error_string xmpi_exch.finc xmpi_exch_dp2d xmpi_exch_dp3d xmpi_exch_dp4d_tag xmpi_exch_dp5d_tag xmpi_exch_dpc_1d xmpi_exch_dpc_2d xmpi_exch_dpn xmpi_exch_int2d xmpi_exch_intn xmpi_exch_spc_1d xmpi_gather xmpi_gather.finc xmpi_gather_dp xmpi_gather_dp2d xmpi_gather_dp3d xmpi_gather_dp4d xmpi_gather_int xmpi_gather_int2d xmpi_gatherv xmpi_gatherv.finc xmpi_gatherv_dp xmpi_gatherv_dp2d xmpi_gatherv_dp3d xmpi_gatherv_dp4d xmpi_gatherv_dp5d xmpi_gatherv_dp6d xmpi_gatherv_int xmpi_gatherv_int1_dp1 xmpi_gatherv_int2d xmpi_get_unit xmpi_group_free xmpi_group_incl xmpi_group_translate_ranks xmpi_ialltoall xmpi_ialltoall.finc xmpi_ialltoall_dp4d xmpi_ialltoallv.finc xmpi_ialltoallv_dp1d2 xmpi_ialltoallv_dp2d xmpi_ialltoallv_int2d xmpi_init xmpi_iprobe xmpi_irecv xmpi_irecv.finc xmpi_irecv_dp1d xmpi_irecv_int1d xmpi_irecv_intv xmpi_isend xmpi_isend.finc xmpi_isend_dp1d xmpi_isend_int1d xmpi_isum xmpi_isum.finc xmpi_isum_int0d xmpi_land_log0d xmpi_land_lor.finc xmpi_lor_log1d xmpi_lor_log2d xmpi_lor_log3d xmpi_max.finc xmpi_max_dp0d_ip xmpi_max_dpv xmpi_max_int xmpi_max_int0d_i4b xmpi_max_int0d_i8b xmpi_min.finc xmpi_min_dpv xmpi_min_intv xmpi_name xmpi_read_int2d xmpi_recv xmpi_recv.finc xmpi_recv_char xmpi_recv_dp xmpi_recv_dp1d xmpi_recv_dp2d xmpi_recv_dp3d xmpi_recv_int1d xmpi_recv_int2d xmpi_recv_int3d xmpi_recv_intv xmpi_request_free xmpi_scatterv xmpi_scatterv.finc xmpi_scatterv_dp xmpi_scatterv_dp2d xmpi_scatterv_dp3d xmpi_scatterv_dp4d xmpi_scatterv_int xmpi_scatterv_int2d xmpi_send xmpi_send.finc xmpi_send_char xmpi_send_dp xmpi_send_dp1d xmpi_send_dp2d xmpi_send_dp3d xmpi_send_int1d xmpi_send_int2d xmpi_send_int3d xmpi_send_intv xmpi_show_info xmpi_split_work2_i4b xmpi_split_work2_i8b xmpi_split_work_i4b xmpi_subcomm xmpi_sum.finc xmpi_sum_c0dc xmpi_sum_c1cplx xmpi_sum_c1dc xmpi_sum_c2cplx xmpi_sum_c2dc xmpi_sum_c3cplx xmpi_sum_c3dc xmpi_sum_c4cplx xmpi_sum_c4dc xmpi_sum_c5cplx xmpi_sum_c5dc xmpi_sum_c6cplx xmpi_sum_c6dc xmpi_sum_c7dc xmpi_sum_dp xmpi_sum_dp2d xmpi_sum_dp2d2t xmpi_sum_dp2t xmpi_sum_dp3d xmpi_sum_dp3d2t xmpi_sum_dp4d xmpi_sum_dp4d2t xmpi_sum_dp5d xmpi_sum_dp6d xmpi_sum_dp7d xmpi_sum_dpn xmpi_sum_dpv xmpi_sum_dpvt xmpi_sum_int xmpi_sum_int2d xmpi_sum_int2t xmpi_sum_int3d xmpi_sum_int4d xmpi_sum_intn xmpi_sum_intv xmpi_sum_intv2 xmpi_sum_master xmpi_sum_master.finc xmpi_sum_master_c1cplx xmpi_sum_master_c1dpc xmpi_sum_master_c2cplx xmpi_sum_master_c2dpc xmpi_sum_master_c3cplx xmpi_sum_master_c3dpc xmpi_sum_master_c4cplx xmpi_sum_master_c4dpc xmpi_sum_master_c5cplx xmpi_sum_master_c5dpc xmpi_sum_master_dp xmpi_sum_master_dp1d xmpi_sum_master_dp2d xmpi_sum_master_dp3d xmpi_sum_master_dp4d xmpi_sum_master_dp5d xmpi_sum_master_dp6d xmpi_sum_master_dp7d xmpi_sum_master_int xmpi_sum_master_int2d xmpi_sum_master_int4d xmpi_wait xmpi_waitall xmpio_check_frmarkers xmpio_create_coldistr_from_fp3blocks xmpio_create_coldistr_from_fpacked xmpio_create_fherm_packed xmpio_create_fstripes xmpio_create_fsubarray_2D xmpio_create_fsubarray_3D xmpio_create_fsubarray_4D xmpio_get_info_frm xmpio_max_address xmpio_read_dp xmpio_read_frm xmpio_read_int xmpio_type_struct xmpio_write_frm xmpio_write_frmarkers xnullifyOff xomp_get_max_threads xomp_get_num_cores_node xomp_get_num_threads xomp_get_thread_num xomp_in_parallel xomp_set_num_threads xomp_show_info xorthonormalize xp12a1 xpapi_flops xpapi_handle_error xpapi_init xpapi_show_info xpapi_shutdown xpaw_mpi_abort xpaw_mpi_allgather_dp1d xpaw_mpi_allgather_dp2d xpaw_mpi_allgather_dp3d xpaw_mpi_allgather_int1d xpaw_mpi_allgatherv_dp1d xpaw_mpi_allgatherv_dp2d xpaw_mpi_allgatherv_int1d xpaw_mpi_alltoall_dp1d xpaw_mpi_alltoall_dp2d xpaw_mpi_alltoall_int1d xpaw_mpi_alltoallv_dp1d xpaw_mpi_alltoallv_dp2d xpaw_mpi_alltoallv_int1d xpaw_mpi_barrier xpaw_mpi_bcast_dp1d xpaw_mpi_bcast_dp2d xpaw_mpi_bcast_dp3d xpaw_mpi_bcast_int xpaw_mpi_bcast_int1d xpaw_mpi_comm_rank xpaw_mpi_comm_size xpaw_mpi_exch_dp1d xpaw_mpi_exch_dp2d xpaw_mpi_exch_dp3d xpaw_mpi_exch_int1d xpaw_mpi_gather_dp1d xpaw_mpi_gather_dp2d xpaw_mpi_gather_int1d xpaw_mpi_gatherv_dp1d xpaw_mpi_gatherv_dp2d xpaw_mpi_gatherv_int1d xpaw_mpi_iprobe xpaw_mpi_irecv_dp1d xpaw_mpi_irecv_dp2d xpaw_mpi_irecv_int1d xpaw_mpi_isend_dp1d xpaw_mpi_isend_dp2d xpaw_mpi_isend_int1d xpaw_mpi_recv_dp1d xpaw_mpi_recv_dp2d xpaw_mpi_recv_dp3d xpaw_mpi_recv_int1d xpaw_mpi_scatterv_dp1d xpaw_mpi_scatterv_dp2d xpaw_mpi_scatterv_int1d xpaw_mpi_send_dp1d xpaw_mpi_send_dp2d xpaw_mpi_send_dp3d xpaw_mpi_send_int1d xpaw_mpi_sum_dp1d xpaw_mpi_sum_dp2d xpaw_mpi_sum_dp3d xpaw_mpi_sum_int xpaw_mpi_sum_int1d xpaw_mpi_wait xpaw_mpi_waitall xred2xcart xred2xcart.F90 xredistribute_mpi_2d_dp xredistribute_mpi_dp

Y

yesno ylm_cmplx ylmc ylmcd ylmstar_over_qTq ylmstar_wtq_over_qTq ys

Z

zero_matlu zerosym zerosym.F90 zfermi1 zfermi12 zfermi2 zfermi3 zfermi32 zfermi52 zfermim12 zginv zhpd_invert znucl2symbol zorthonormalize zpad_free zpad_init zpad_t zplan_many_dft

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z - 0 - 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9