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 adata_type add_int_fct add_matlu add_vnlr_commutator addout 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 afterscfloop afterscfloop.F90 aim aim.F90 aim_dataset_type aim_follow 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 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 assemblychi0sf 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 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 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 cgcprj_cholesky cgcprj_cholesky.F90 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 chern_number chern_number.F90 chg_repr_matlu chi0_bbp_mask chi0_bksmask chi0q0_intraband chi_free chi_new chi_t chiscwrt chkdilatmx chkdpr chkgrp chkgrp.F90 chki8 chkin9 chkinp chkinp.F90 chkint chkint_eq chkint_ge chkint_le chkint_ne chkint_prt chkorthsy chkorthsy.F90 chkpawovlp chkpawovlp.F90 chkph3 chkprimit chkprimit.F90 chkr8 chkrp9 chkrprimd 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 clnup2 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 computeCombinaisonFromList computeNorder conducti conducti.F90 conducti_nc conducti_nc.F90 conducti_paw conducti_paw.F90 conducti_paw_core conducti_paw_core.F90 conjg_matlu consist 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 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_nc_file create_slm2ylm createIonicPotential_new critic critics 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 ctocprj ctocprj.F90 Ctqmc CtqmcInterface ctrap 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 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_to_dtset 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 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 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_orbmag 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_init_mag1 dfpt_init_mag1.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_v1zeeman dfpt_v1zeeman.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 dist9 dist_pbc_ext dist_pbc_int distance_supercell 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 dotprod_g dotprod_set_cgcprj dotprod_set_cgcprj.F90 dotprod_v dotprod_vn dotprodm_sumdiag_cgcprj dotprodm_sumdiag_cgcprj.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 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 dummy_tests dummy_tests.F90 dump_kptrank dump_Qlist dvdb_check_fform dvdb_close 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 dzgefa

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_ncwrite edos_print edos_t edos_write effective_potential_checkDEV effective_potential_file_getDimCoeff effective_potential_file_getDimMD effective_potential_file_getDimStrainCoupling effective_potential_file_getDimSystem effective_potential_file_getType effective_potential_file_mapHistToRef 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_allocate elpa_func_cholesky_complex elpa_func_cholesky_real elpa_func_deallocate elpa_func_error_handler 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 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 esymm_failed esymm_finalize esymm_free_0D esymm_free_2D esymm_init esymm_print esymm_symmetrize_mels esymm_t etheta 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 fconv 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_maxmin_proc find_mpw find_peaks find_qmesh find_rstar_gen find_set_gpu find_symeq find_wpoles_for_cd finddistrproc finddistrproc.F90 findmin findminscf findminscf.F90 findnq findq findqg0 first_rec first_rec.F90 firstchar_0d firstchar_1d fit_data_compute fit_data_free fit_data_init fit_data_type fit_polynomial_coeff_computeGF fit_polynomial_coeff_computeMSD fit_polynomial_coeff_fit fit_polynomial_coeff_getCoeffBound fit_polynomial_coeff_getFS fit_polynomial_coeff_getPositive fit_polynomial_coeff_solve fit_polynomial_printSystemFiles fitclus fixsym 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 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 generateTermsFromList 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_auxc_ixc get_bandenergy get_BZ_diff get_bz_item get_cache_kb get_classes get_dbl_tetra_weight get_diag_cdp get_diag_int 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_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 get_xclevel getargs getcgqphase getcgqphase.F90 getClocC getClocR getCoeffFromList getcprj getcprj.F90 getcut 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 getkptnorm_bycomponent getmpw getnel getng getng.F90 getngrec getngrec.F90 getPBCIndexes_supercell getph getptgroupma getptgroupma.F90 getRecordMarkerLength_wffile getshell getshell.F90 getspinrot getspinrot.F90 gettag getwtk gg1cc 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 gpp1cc gpu_linalg_init gpu_linalg_shutdown gpu_xgemm gpu_xorthonormalize gpu_xtrsm gr_to_g grad_cart2red gran_potrec gran_potrec.F90 graph 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 gspline_eval gspline_free gspline_new gspline_t gstate gstate.F90 gstateimg gstateimg.F90 gtblk9 gtdyn9 gw_box2gsph gw_spectral_function 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 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 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 impurity_solve impurity_solve.F90 ImpurityOperator imtqlx inarray incomprs 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_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 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 initorbmag initorbmag.F90 InitRec InitRecGPU InitRecGPU_0 initrhoij initrhoij.F90 initro initro.F90 initwf initwf.F90 initylmg initylmg.F90 initylmr inkpts inkpts.F90 inpar inpgkk inpgkk.F90 inprep8 inpspheads inpspheads.F90 inqpt inqpt.F90 inread inreplsp inspln instrng 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 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 integvol interpol3d interpol3d_indices interpolate_denpot interpolate_gkk interpolate_gkk.F90 interpolator_free interpolator_init interpolator_normalize interpolator_t intparms intrpl inupper 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 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 isinside 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 jellium jellium.F90 jlspline_free jlspline_integral jlspline_new jlspline_t jobz_plasma

K

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 kpgsph kpgstr 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 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 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 lincom_cgcprj lincom_cgcprj.F90 linear_optics_paw linear_optics_paw.F90 linelop linemin 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 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_angles m_angles.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_bader m_bader.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_bessel m_bessel.F90 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_dummy.F90 m_dummy_tests 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_data m_fit_data.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_kg m_kg.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_lib_four.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_memeval m_memeval.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_occ m_occ.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_orbmag m_orbmag.F90 m_oscillators.F90 m_OurRng m_OurRng.F90 m_OurRng/OurRng m_outqmc m_outqmc.F90 m_outwant m_outwant.F90 m_outxml m_outxml.F90 m_paral_atom m_paral_atom.F90 m_paral_pert m_paral_pert.F90 m_parser m_parser.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_suscep_stat m_suscep_stat.F90 m_tddft m_tddft.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_noncoll m_xc_noncoll.F90 m_xc_noncoll/test_rotations 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_xcdata m_xcdata.F90 m_xg.F90 m_xgScalapack m_xgScalapack.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 matr3inv matr3inv.F90 matrginv 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 memkss memorf memory memory_eval 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_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 mkffkg mkffkg.F90 mkffnl mkffnl.F90 mkfilename mkfilename.F90 mkfskgrid mkfskgrid.F90 mkfsqgrid mkfsqgrid.F90 mkgrid_fft mkgrid_fft.F90 mkherm mkkin 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 mknucdipmom_k mknucdipmom_k.F90 mkph_linwid mkph_linwid.F90 mkphbs mkphdos mkpwind_k mkpwind_k.F90 mkqptequiv mkqptequiv.F90 mkradim mkrdim mkresi mkresi.F90 mkrho mkrho.F90 mkrhotwg_sigma mkstar mkstar_dk1 mkstar_dk2 mksubham 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_dtset_free multibinit_dtset_init multibinit_dtset_type 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 ncwrite_v1qnu nderiv nderiv_gen nderiv_lin netcdf_check new_self new_setup_ppmodel new_token newfermie1 newfermie1.F90 NewK newkpt newkpt.F90 newocc 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 occup_fd occup_green_tau occupfd odamix odamix.F90 offset_in_file old_fftw3_mpifourdp omega_decomp onestep 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 orbmag_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 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 outwf outxfhist outxfhist.F90 outxml_finalise outxml_open overlap_g overlap_k1k2_paw overlap_k1k2_paw.F90 ovlp_diago_and_prune ovlp_diff ovlp_free ovlp_init ovlp_t ovlp_wann

P

pack_eneocc pack_matrix pade parchk pareigocc parse_yesno parsefile 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 pawxc_dfpt pawxc_drivexc_abinit pawxc_drivexc_libxc pawxc_drivexc_wrapper pawxc_mkdenpos_local pawxc_mkdenpos_wrapper pawxc_rotate_back_mag pawxc_rotate_back_mag_dfpt pawxc_rotate_mag pawxc_size_dvxc_local pawxc_size_dvxc_wrapper pawxc_xcmult_local pawxc_xcmult_wrapper pawxc_xcpositron_abinit pawxc_xcpositron_local pawxc_xcpositron_wrapper pawxcm pawxcm_dfpt pawxcmpositron pawxcpositron pawxcsph pawxcsph_dfpt 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 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_free phgamma_init phgamma_interp phgamma_interp_setup phgamma_linwid phgamma_print 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 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_getList polynomial_coeff_getName polynomial_coeff_getNorder polynomial_coeff_getOrder1 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_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 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 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 psp1nl psp2in psp2in.F90 psp2lo psp2lo.F90 psp2nl psp2params_copy psp2params_free psp2params_init psp3in psp3in.F90 psp3nl psp4cc psp4cc.F90 psp5in psp5in.F90 psp5lo psp5lo.F90 psp5nl psp5nl.F90 psp6cc psp6cc_drh 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 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 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 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_csts_hist 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 rhohxcpositron rhohxcpositron.F90 rhop_value rhophi rhotov rhotov.F90 rhotoxc rhotoxc.F90 ritz_analysis_general rmquotes rmtabfromline rotate_back_mag rotate_back_mag_dfpt rotate_cprj rotate_FFT_mesh rotate_fqg rotate_mag rotate_matlu rotate_rho rotate_rho.F90 rotate_spinor rotatevee_hu rotmat round_brackets rpa_symepsm1 rrs_of_glob rsurf rule_write rw_self rwRecordMarker rwwf rwwf.F90

S

s_to_i4 s_to_r8 saveocc_dmft sbf8 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 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_gather_and_write sigmaph_new sigmaph_print sigmaph_setup_kcalc sigmaph_t sigparams_free sigparams_t simp_gen simple_j_dia simple_j_dia.F90 simpson simpson_cplx simpson_int sincos 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 spinrot_cmat 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 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 suscep_stat susk suskmm 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 symgamma symgamma.F90 symkchk 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 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 tdep tdep.F90 tdexcsdtiit terms_compare test_abifiles test_charge test_dummy test_ftgkk test_ftgkk.F90 test_md5_sum_from_file.F90 test_md5_sum_from_string.F90 test_radsintr.F90 test_same_actual_arg test_unused_arg test_xginv test_xml_xmlpaw_upf testcode_ctqmc testcode_ctqmc.F90 testfi testfi.F90 testkgrid testkgrid.F90 testsusmat 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 training_set_free training_set_init training_set_type 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 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 vhtnzc vkbr_free_0D vkbr_free_1D vkbr_init vkbr_t vloc_zero_mklocl vlocalstr vlocalstr.F90 vn_nl_rec vn_nl_rec.F90 vnorm 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 wf_mixing wf_mixing.F90 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_everybody_has_ug wfd_extract_cgblock wfd_free wfd_from_wfk wfd_get_cprj wfd_get_many_ur wfd_get_socpert 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_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_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 xcdata_init xcdata_type 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_average xgBlock_colwiseCaxmy xgBlock_colwiseMulC xgBlock_colwiseMulR xgBlock_colwiseNorm2 xgBlock_copy xgBlock_cshift xgBlock_deviation xgBlock_diagonal xgBlock_diagonalOnly 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 xgScalapack_init 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_dp2d xmpi_irecv_int1d xmpi_irecv_intv xmpi_isend xmpi_isend.finc xmpi_isend_dp1d xmpi_isend_dp2d 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 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 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