Table of Contents Sourcefiles Index Directories Functions Modules Programs Types

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

1

12_hide_mpi 13nonlocal 13paw 13psp 14wfs

3

32_contract 32_util

4

42_geometry 42_nlstrain 42_parser 43_ptgroups 44_geomoptim 47_xml 49_gw_toolbox_oop

5

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

6

61_ionetcdf 62_bader 62_cg_noabirule 62_iowfdenpot 62_occeig 64_atompaw 67_common 68_rsprc 69_wfdesc

7

70_gw 71_bse 72_response 77_ddb 77_lwf 77_suscep 79_seqpar_mpi

8

83_cut3d

9

95_drive 98_main

_

_01_gsl_ext_ _01_gsl_ext_ _01_linalg_ext_ _02_clib_ _02_clib_ _10_defs_ _12_hide_mpi_ _28_numeric_dirty_ _32_contract_ _32_util_ _42_geometry_ _42_nlstrain_ _42_parser_ _43_ptgroups_ _44_geomoptim_ _47_xml_ _49_gw_toolbox_oop_ _51_manage_mpi_ _52_fft_mpi_noabirule_ _52_manage_cuda_ _53_abiutil_ _53_ffts_ _53_spacepar_ _56_recipspace_ _56_xc_ _57_iovars_ _59_io_mpi_ _61_ionetcdf_ _62_bader_ _62_cg_noabirule_ _62_iowfdenpot_ _62_occeig_ _64_atompaw_ _65_nonlocal_ _65_psp_ _66_paw_ _66_wfs_ _67common_ _68_rsprc_ _69_wfdesc_ _70_gw_ _71_bse_ _72_response_ _77_ddb_ _77_lwf_ _77_suscep_ _79_seqpar_mpi_ _83_cut3d_ _95_drive_ _98_main_ _lib00numeric_

A

a2f_dump a2f_free a2f_init a2f_logmoment a2f_moment a2f_nullify a2f_t ab_define_var ab_define_var.F90 ab_delocint ab_forstr ab_maxvals ab_movehistory ab_movehistory_bcast ab_movehistory_end ab_movehistory_nullify ab_movetype ab_movetype_end ab_movetype_nullify ab_movetype_print ab_scfcv_args_in ab_scfcv_args_inout ab_scfcvargs ab_xfh_type abi_bands_put abi_Bands_read abi_cpu_time abi_cpu_time.F90 abi_crystal_put abi_etsf_dims_init abi_etsf_electrons_put abi_etsf_electrons_put.F90 abi_etsf_geo_put abi_etsf_geo_put.F90 abi_etsf_get_QP abi_etsf_init abi_etsf_init.F90 abi_init_globals abi_init_globals.F90 abi_io_redirect abi_io_restore abi_log_status_state abietsf_msg_hndl abietsf_warn abinetcdf abinetcdf.F90 abinit abinit.F90 accrho3 accrho3.F90 accumulate_chi0_q0 accumulate_chi0_q0.F90 accumulate_chi0sumrule accumulate_sfchi0_q0 accumulate_sfchi0_q0.F90 acfd_dyson acfd_dyson.F90 acfd_intexact acfd_intexact.F90 acrossb acrossb.F90 add_matlu add_vnlr_commutator addout addout.F90 adini adini.F90 afterscfloop afterscfloop.F90 aim aim.F90 aim_dataset_type aim_follow aim_follow.F90 align_u_matrices alignph alignph.F90 alloc_hamilt_gpu alloc_hamilt_gpu.F90 alloc_on_gpu alloc_self allocate_jpt_gwpc_2D allocate_jpt_gwpc_3D allocate_sigma_results anaddb anaddb.F90 anaddb_dataset_type anaddb_dtset_clean anaddb_dtset_clean.F90 anaddb_dtset_nullify anaddb_dtset_nullify.F90 angle_ang angle_dihedral appdig appdig.F90 append_cml2 append_cml2.F90 append_xyz append_xyz.F90 apply_flip_flop apply_scissor approxdelta aprxdr aprxdr.F90 arth_int arth_rdp asria_calc asria_calc.F90 asria_corr asria_corr.F90 asrif9 asrif9.F90 asrprs asrprs.F90 assemblychi0_sym assemblychi0q0_sym assemblychi0sf assemblychi0sfq0 assert1 assert2 assert3 assert4 assert_eq2 assert_eq3 assert_eq4 assert_eqn assert_v atm2fft atm2fft.F90 atm2fft3 atm2fft3.F90 atmdata atmdata.F90 atmlength atmlength.F90 atom_type atomden atomden.F90 atprj_destroy atprj_init atprj_nullify atprj_print atprj_type axial9 axial9.F90

B

b band2eps band2eps.F90 bandfft_kpt_type bands_symmetries bandstructure_type basename bcp_type bec3 bec3.F90 begin_element berry_linemin.F90 berry_linemin.F90 berryphase berryphase.F90 berryphase_new berryphase_new.F90 berryphase_new.F90_SLeroux berryphase_new_SLeroux besjm besjm.F90 bessel_CCquad_weights bestwfs bestwfs.F90 bethe_salpeter bethe_salpeter.F90 bfactor bfactor.F90 bigbx9 bigbx9.F90 binomcoeff bisect_int bisect_rdp blas_cholesky_ortho_dpc blas_cholesky_ortho_spc bldgrp bldgrp.F90 bldgrpaf bldgrpaf.F90 bldlwf bldlwf.F90 blow_pawuj blow_pawuj.F90 bond_length bonds_lgth_angles bonds_lgth_angles.F90 bound bound.F90 bound_deriv bound_deriv.F90 bound_new bound_new.F90 box_len bracketing bracketing.F90 brdene brdene.F90 brent brent.F90 bschg1 bschg2 bsp_calctype2str bst_init_from_hdr bst_ismetal bst_print_fs bst_write_bands bstruct_clean bstruct_init bsym_failed build_grid_scalapack build_lebedev_grid build_processor_scalapack build_spectra bz_mesh_isirred bz_mesh_type

C

c_padding calc_b_matrix calc_b_matrix.F90 calc_btinv_matrix calc_chi0_delta0 calc_chi0_delta0_bis calc_chi0_delta_clos calc_coh calc_coh_comp calc_corr_chi0 calc_corr_sig calc_cs calc_cs.F90 calc_ddwfwfg calc_delta0 calc_delta_chi0 calc_delta_ppm calc_delta_ppm_sc calc_dwfwfg calc_eet_prep calc_eet_sig_prep calc_efg calc_efg.F90 calc_fc calc_fc.F90 calc_ffm calc_ffm.F90 calc_kkweight calc_optical_mels calc_optical_mels.F90 calc_prim_int calc_prim_int.F90 calc_pw_oscillator calc_rpa_functional calc_rpa_functional.F90 calc_sig_ppm calc_sig_ppm_comp calc_sig_ppm_comp.F90 calc_sig_ppm_delta calc_sig_ppm_delta_clos calc_sig_ppm_eet.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_vhxc_me calc_vhxc_me.F90 calc_vkb calc_wf_qp.F90 calc_wfwfg calcdensph calcdensph.F90 Calcnrec calculate_pade_a canat9 canat9.F90 canct9 canct9.F90 cart29 cart29.F90 cart39 cart39.F90 carteig2d carteig2d.F90 carttransf carttransf.F90 cc_derivatives cc_derivatives.F90 ccfft ccfft.F90 ccgradvnl ccgradvnl_ylm cchi0 cchi0.F90 cchi0_eet.F90 cchi0q0 cchi0q0.F90 cchi0q0_intraband.F90 ccs_of_glob cdp2rdp_1D cdp2rdp_2D cdp2rdp_3D cdp2rdp_4D cdp2rdp_5D ceigr ceikr cginv cgpr cgpr.F90 cgwf cgwf.F90 cgwf3 cgwf3.F90 check_completeness check_completeness.F90 check_delta check_delta_sigma check_fourier_green check_fsumrule check_kramerskronig check_mpi_ierr check_rot_fft check_sym_ug check_unit check_zarot chg_repr_matlu chi0_bbp_mask chi0q0_intraband chiscwrt chiscwrt.F90 chkdilatmx chkdilatmx.F90 chkdpr chkdpr.F90 chkexi chkexi.F90 chkgrp chkgrp.F90 chki8 chki8.F90 chkilwf chkilwf.F90 chkin9 chkin9.F90 chkinp chkinp.F90 chkint chkint.F90 chkint_eq chkint_eq.F90 chkint_ge chkint_ge.F90 chkint_le chkint_le.F90 chkint_ne chkint_ne.F90 chkint_prt chkint_prt.F90 chkneu chkneu.F90 chknm8 chknm8.F90 chkorthsy chkorthsy.F90 chkpawovlp chkpawovlp.F90 chkph3 chkph3.F90 chkprimit chkprimit.F90 chkr8 chkr8.F90 chkrp9 chkrp9.F90 chkrprimd chkrprimd.F90 chkvars chkvars.F90 chneu9 chneu9.F90 cigfft ckxcldag ckxcldar classify_bands classify_bands.F90 clcqpg clcqpg.F90 clean_phon_ds CleanGPU CleanRec CleanRecGPU clnmpi_atom clnmpi_atom.F90 clnmpi_band clnmpi_band.F90 clnmpi_bandfft clnmpi_bandfft.F90 clnmpi_fft clnmpi_fft.F90 clnmpi_grid clnmpi_grid.F90 clnmpi_gs clnmpi_gs.F90 clnmpi_img clnmpi_img.F90 clnmpi_respfn clnmpi_respfn.F90 clnup1 clnup1.F90 clnup2 clnup2.F90 clp clp.F90 clsopn cmod_qpg cmpar8 cmpar8.F90 cmplx_sphcart coeff2_gwpc_type coeff2_type coeff2c_type coeff3_gwpc_type coeff3_type coeff4_type coeff5_type coeffi1_type cohsex_me cohsex_me.F90 combin comm_t compact compare_and_change_int compare_interpol compare_interpol.F90 complete_gamma complete_gamma.F90 complete_gamma_tr complete_gamma_tr.F90 complete_gkk complete_gkk.F90 completechi0_deltapart completeperts completeperts.F90 compmesh compute_eigen1 compute_eigen2 compute_eigen_problem compute_energy compute_generalized_eigen_problem compute_green compute_ldau_energy compute_nb_elec conducti conducti.F90 conducti_nc conducti_nc.F90 conducti_paw conducti_paw.F90 conducti_paw_core conducti_paw_core.F90 consist consist.F90 constrf constrf.F90 construct_gram 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 contistr01 contistr01.F90 contistr03 contistr03.F90 contistr10 contistr10.F90 contistr12 contistr12.F90 contistr21 contistr21.F90 contistr30 contistr30.F90 contract_dp_ge_val contract_dp_ge_val.F90 contract_int_ge_val contract_int_ge_val.F90 contract_int_le_val contract_int_le_val.F90 contract_int_list contract_int_list.F90 contstr21 contstr21.F90 contstr22 contstr22.F90 contstr23 contstr23.F90 contstr24 contstr24.F90 contstr25 contstr25.F90 contstr25a contstr25a.F90 contstr26 contstr26.F90 convergence_degree copy_bandstructure copy_ddb_blk copy_from_gpu copy_green copy_irrep copy_kdata_0D copy_kdata_1D copy_kptrank copy_matlu copy_mflags copy_mpi_enreg copy_on_gpu copy_oper copy_paw_an_flags copy_paw_ij_flags copy_results_gs copy_results_img copy_results_out copy_ScrHdr copy_wave_0D copy_wave_3D copymesh correct_init_kb_ffactors corrmetalwf1 corrmetalwf1.F90 cpdrv cpdrv.F90 cppm1par cppm2par cppm3par cppm4par cprj_alloc cprj_axpby cprj_bcast cprj_bspl_t cprj_bspline_eval cprj_bspline_free cprj_bspline_init cprj_bspline_mktensor cprj_copy cprj_diskinit_r cprj_diskinit_w cprj_diskskip cprj_exch cprj_free cprj_gather_spin cprj_get cprj_lincom cprj_mpi_allgather cprj_mpi_recv cprj_mpi_send cprj_nullify cprj_output cprj_put cprj_set_zero cprj_transpose cprj_transpose_all cprj_type cprj_utils.F90 cprj_utils_mpi.F90 cprj_zaxpby cpu_distribution cqratio create_ddb_blk create_nc_file create_nc_file.F90 createIonicPotential_new crho crho.F90 critic critic.F90 critics critics.F90 cross_product_ crystal_structure cspint cspint.F90 ctocprj ctocprj.F90 ctrap ctrap.F90 ctrap_gen ctrap_gen.F90 cudarec cut3d cut3d.F90 cutoff_cylinder cutoff_density cutoff_m_elem cutoff_m_elem.F90 cutoff_sphere cutoff_surface cutoff_table cvxclda cvxclda.F90

D

d2kindstr2 d2kindstr2.F90 d2sym3 d2sym3.F90 d3output d3output.F90 d3sym d3sym.F90 d_nan dang_d1 dang_d2 datafiles_type datafordmft datafordmft.F90 dataset_type dbeta dbeta.F90 dbond_length_d1 dc_self ddb_blk_type ddiago_ctl_type ddihedral_d1 ddihedral_d2 ddkten ddkten.F90 dealloc_hamilt_gpu dealloc_on_gpu DEBUG_Gpairs__ debug_tools.F90 decompose_epsm1 deducer0 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 defad defad.F90 defs defs_abitypes defs_abitypes.F90 defs_aimfields defs_aimfields.F90 defs_aimprom defs_aimprom.F90 defs_basis defs_basis.F90 defs_datatypes defs_datatypes.F90 defs_elphon defs_elphon.F90 defs_fftdata defs_fftdata.F90 defs_interfaces defs_interfaces.F90 defs_mover defs_mover.F90 defs_parameters defs_parameters.F90 defs_rectypes defs_rectypes.F90 defs_scalapack defs_scalapack.F90 defs_scfcvargs defs_scfcvargs.F90 defs_scftypes defs_scftypes.F90 defs_suscep defs_suscep.F90 defs_time defs_time.F90 defs_wannier90 defs_wannier90.F90 defs_wvltypes defs_wvltypes.F90 defs_xc defs_xc.F90 delete_file deloc2xcart deloc2xcart.F90 denfgr denfgr.F90 denominator dens_in_sph dens_in_sph.F90 density_rec density_rec.F90 der_int der_int.F90 derf derf.F90 derf_ab derfc derfc.F90 derfcf descript_scalapack destroy_atom destroy_bands_symmetries_0d destroy_bands_symmetries_2d destroy_bs_parameters destroy_bz_mesh_type destroy_crystal destroy_ddb_blk destroy_delocint destroy_dmft destroy_efield destroy_electronpositron destroy_energy destroy_epsilonm1_parameters destroy_epsilonm1_results destroy_fermi_surface_0D destroy_fermi_surface_1D destroy_FFT_prof_0D destroy_FFT_prof_1D destroy_FFT_test_0D destroy_FFT_test_1D destroy_gkk_0D destroy_gkk_1D destroy_gkk_handler_0D destroy_gkk_handler_1D destroy_Gpairs_type destroy_green destroy_green_tau destroy_group_k destroy_gsphere destroy_hamiltonian destroy_hu destroy_Hur destroy_ifc destroy_irrep_0D destroy_irrep_1D destroy_iskg_tabs destroy_jpt_gwpc_2D destroy_jpt_gwpc_3D destroy_kb_ffactors destroy_kb_potential_0D destroy_kb_potential_1D destroy_kdata_0D destroy_kdata_1D destroy_kptrank destroy_lebedev_grid destroy_lebedev_gridset destroy_little_group_0D destroy_little_group_1D destroy_matlu destroy_melements destroy_mpi_enreg destroy_oper destroy_oscillator destroy_paw_an destroy_paw_ij destroy_paw_pwave_lmn destroy_paw_pwff destroy_paw_pwij_d1 destroy_paw_pwij_d2 destroy_pawang destroy_pawtab destroy_phondos destroy_plan destroy_point_group destroy_primcell_ddb_info destroy_radmesh destroy_results_gs destroy_results_gs_array destroy_results_img destroy_results_out destroy_results_respfn destroy_sc_dmft destroy_scf_history destroy_self destroy_sigijtab destroy_sigma_parameters destroy_sigma_results destroy_slatang_cshell destroy_slatrad_0D destroy_slatrad_1D destroy_sltrad_cshell destroy_spectra destroy_tetra destroy_timer destroy_wave_0D destroy_wave_3D DestroyWanData destruction_matrix_scalapack devGPU_type diag_matlu die die3 die3.F90 die_ diel9 diel9.F90 dielmt dielmt.F90 dielmt2 dielmt2.F90 dieltcel dieltcel.F90 diff_matlu diff_oper diffvc diffvx difrel difvxc difvxc.F90 dist2 dist2.F90 dist9 dist9.F90 distrb2 distrb2.F90 dmft_solve dmft_solve.F90 dos_degeneratewfs dos_degeneratewfs.F90 dos_hdr_write dos_hdr_write.F90 dosym dosymr dotprod_g dotprod_g.F90 dotprod_v dotprod_v.F90 dotprod_vn dotprod_vn.F90 dotprodm_v dotprodm_v.F90 dotprodm_vn dotprodm_vn.F90 dotproduct dotproduct.F90 dotproductqrc dotproductqrc.F90 DoWanMatInterpol_ dp_padding dpade dplan_many_dft dplan_many_dft_c2r dplan_many_dft_r2c drho_tw_g driver driver.F90 drivexc drivexc drivexc.F90 drvaim drvaim.F90 dsksta dsksta.F90 dst_init dst_t dtchi dtchi.F90 dtech9 dtech9.F90 dtfil_init1 dtfil_init1.F90 dtfil_init2 dtfil_init2.F90 dtfil_init_img dtfil_init_img.F90 dtset_nullify dtset_nullify.F90 dtsetcopy dtsetcopy.F90 dtsetfree dtsetfree.F90 dump_config_fake dump_pseudo dump_Qlist dump_spectra DumpWanData dyfnl3 dyfnl3.F90 dyfro3 dyfro3.F90 dymfz9 dymfz9.F90 dyout3 dyout3.F90 dyson dyson.F90 dyson_de dyson_de.F90 dyson_gl dyson_gl.F90 dyson_ls dyson_ls.F90 dyson_sc dyson_sc.F90 dyxc13 dyxc13.F90

E

ebp3 ebp3.F90 echo_xc_name echo_xc_name.F90 edie3 edie3.F90 efield_type eig1fixed eig1fixed.F90 eig2tot eig2tot.F90 eigen_meandege eigen_meandege.F90 eigr elast9 elast9.F90 electronpositron_calctype electronpositron_type electrooptic electrooptic.F90 eli_app_m_1d eli_app_m_1d.F90 eli_diag_m_1d eli_diag_m_1d.F90 eli_lambda_1d eli_lambda_1d.F90 eli_m_iter_1d eli_m_iter_1d.F90 eli_z_1d eli_z_1d.F90 eliashberg_1d eliashberg_1d.F90 elph2_fanddw elph2_fanddw.F90 elph_ds_clean elph_ds_nullify elph_k_nullify elph_kgrid_type elph_tr_ds_clean elph_tr_ds_nullify elph_tr_type elph_type elphon elphon.F90 elpolariz elpolariz.F90 eltfrhar3 eltfrhar3.F90 eltfrkin3 eltfrkin3.F90 eltfrloc3 eltfrloc3.F90 eltfrnl3 eltfrnl3.F90 eltfrxc3 eltfrxc3.F90 eltxccore eltxccore.F90 em1_symmetrize_ip em1_symmetrize_op emispec_paw emispec_paw.F90 enclose_degbands end_element end_scalapack end_sortph energies_copy energies_init energies_to_array energies_type energy energy.F90 energy_type enlarge_timer enorm entropyrec entropyrec.F90 entry_type envlop envlop.F90 ep_fs_weights ep_fs_weights.F90 ep_setupqpt ep_setupqpt.F90 epsilonm1_parameters epsilonm1_results Epsm1_pole_symmetrizer Epsm1_pole_symmetrizer_inplace Epsm1_symmetrizer Epsm1_symmetrizer_inplace etheta etheta.F90 etot3 etot3.F90 etotfor etotfor.F90 etsf_dump_QP evdw_wannier evdw_wannier.F90 evspln evspln.F90 ewald ewald.F90 ewald2 ewald2.F90 ewald3 ewald3.F90 ewald4 ewald4.F90 ewald9 ewald9.F90 exc_amplitude exc_build_block exc_build_block.F90 exc_build_ham exc_build_ham.F90 exc_check_phi_block exc_cholesky_ortho exc_den exc_den.F90 exc_diago.F90 exc_diago_coupling exc_diago_coupling_hegv exc_diago_driver exc_diago_driver.F90 exc_diago_resonant exc_eps_coupling exc_eps_resonant exc_eps_rpa exc_fullh_from_blocks exc_haydock_driver exc_init_phi_block exc_interp_ham exc_interp_ham.F90 exc_iterative_diago exc_iterative_diago.F90 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_spectra.F90 exc_subspace_rotation exc_write_bshdr exc_write_data exc_write_phi_block exc_write_tensor excfiles exchange_electronpositron excparam exp_mat_cx ExpandBands expibi expibi.F90 expibr expibr.F90 extraprho extraprho.F90 extrapwf extrapwf.F90

F

factorial fappnd fappnd.F90 fcart2fred fcart2fred.F90 fconv fconv.F90 fdjac2 fdtion fermi fermi.F90 fermi_green fermi_green.F90 fermi_surface_type fermisolverec fermisolverec.F90 fft4eet fft4eet_0 fft4eet_kb fft4eet_sig fft4eet_sig_kb fft4eet_sig_sc fft_check_rotrans fft_onewfn FFT_prof_t FFT_test_t fft_ur fftalg_info fftpac fftpac.F90 fftprof fftprof.F90 fftprof_ncalls_per_test fftw fftw.F90 fftw3_c2c_ip fftw3_c2c_op fftw3_c2r_op fftw3_cleanup fftw3_fftpad fftw3_fftpad_cplx fftw3_fftpad_tr fftw3_fourdp fftw3_fourdp.F90 fftw3_fourwf fftw3_fourwf.F90 fftw3_gain_wisdom fftw3_is_in_place fftw3_many_dft_ip fftw3_many_dft_op fftw3_plan3_t fftw3_r2c_op fftw3_set_in_place fftw3_set_nthreads fftw3_show_nthreads fftwfn fftwfn.F90 fgg_free_0D fgg_free_1D fgg_init fgg_nullify_0D fgg_t fggw_free fggw_init fggw_nullify fggw_t file_exist fillcell fillcell.F90 filnam_comm filnam_comm.F90 filterpot filterpot.F90 finalize_bands_sym finalize_hamiltonian find_getdtset find_getdtset.F90 find_maxmin_proc find_peaks find_qmesh find_set_gpu find_wpoles_for_cd finddistrproc finddistrproc.F90 findggp_ findmarkup findmarkup.F90 findmin findmin.F90 findminscf findminscf.F90 findnq findq findqg0 first_rec first_rec.F90 fixsym fixsym.F90 flush_unit fm12a1 fm12a1t forces forces.F90 forstr forstr.F90 forstrnps forstrnps.F90 fourdp fourdp.F90 fourdp_6d fourdp_6d.F90 fourdp_c2c_ip fourdp_c2c_op fourier_fct fourier_green fourier_interpol fourier_interpol.F90 fourwf fourwf.F90 fp12a1 fp32a1 fred2fcart fred2fcart.F90 fred2fdeloc fred2fdeloc.F90 free_scrhdr freeze_displ_allmodes freeze_displ_allmodes.F90 freeze_displ_supercell fresid fresid.F90 fresidrsp fresidrsp.F90 frskerker1 frskerker1.F90 frskerker1__dpf frskerker1__end frskerker1__init frskerker1__newres frskerker1__pf frskerker2 frskerker2.F90 frskerker2__dpf frskerker2__end frskerker2__init frskerker2__newvres2 frskerker2__pf fsumrule fsumrule.F90 ftfvw1 ftfvw1.F90 ftfvw1__de ftfvw1__e ftfvw1__end ftfvw1__init ftfvw1__newdensity ftfvw2 ftfvw2.F90 ftfvw2__change_opB ftfvw2__dpf ftfvw2__end ftfvw2__init ftfvw2__newphi2 ftfvw2__pf ftgam ftgam.F90 ftgkk ftgkk.F90 ftifc_q2r ftifc_q2r.F90 ftifc_r2q ftifc_r2q.F90 function_and_deriv fxgkkphase fxgkkphase.F90 fxphas fxphas.F90

G

g0g0w g2ifft gam_mult_displ gam_mult_displ.F90 gamma9 gamma9.F90 gamma_free gamma_init gamma_interp gamma_interp_setup gamma_linwid gamma_nullify gamma_t gammapositron gammapositron.F90 gath3 gath3.F90 gather_array_img gather_matlu gather_results_img gather_results_out gaugetransfo gaugetransfo.F90 gaunt gaunt.F90 gaus_dos gaus_dos.F90 gaussian gbefd3 gbefd3.F90 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_atomcharge get_bandenergy get_BZ_diff get_bz_item get_classes get_diag_cdp get_diag_rdp get_dimcprj get_dos get_dos_1band get_dos_1band.F90 get_dos_1band_m get_dos_1band_m.F90 get_eneocc_vect get_epsm1 get_FS get_fs_bands get_fs_bands.F90 get_fsurf_1band get_fsurf_1band.F90 get_full_gsphere.F90 get_full_kgrid get_full_kgrid.F90 get_g_tiny get_g_tiny.F90 get_gftt get_IBZ_item get_index_from_key get_irredg get_irredg.F90 get_kg Get_Mem_Dev get_minmax get_ng0sh get_occupied get_overlap get_point_group get_pole_epsm1 get_ppm_eigenvalues get_pt0_pt1 get_rank_1kpt get_reclen get_rhor get_susd_null get_susd_null.F90 get_tetra_weight get_topo get_trace_cdp get_trace_int get_unit get_unit_from_fname get_valence_idx get_veloc_tr get_veloc_tr.F90 getattribute getattribute.F90 getcgqphase getcgqphase.F90 getcprj getcprj.F90 getcut getcut.F90 getdc1 getdc1.F90 getdim_nloc getdim_nloc.F90 geteexc_cc geteexc_cc.F90 geteexc_uc geteexc_uc.F90 getem1_from_ppm getem1_from_ppm_one_ggp getfreqsus getfreqsus.F90 getFu getfullg getgh1c getgh1c.F90 getghc getghc.F90 getgsc getgsc.F90 getkgrid getkgrid.F90 getkpgnorm getkpgnorm.F90 getlambda getlambda.F90 getmpw getmpw.F90 getnel getnel.F90 getng getng.F90 getngrec getngrec.F90 getph getph.F90 getptgroupma getptgroupma.F90 getRecordMarkerLength_wffile getshell getshell.F90 getspinrot getspinrot.F90 gettag getwtk getwtk.F90 gg1cc gg1cc.F90 gipaw_j_dia gipaw_j_dia_bare gipaw_j_dia_bare.F90 gkk_handler_type gkk_type gkkfd_free gkkfd_init gkkfd_nullify gkkfd_read_h1me gkkfd_t gkkfile_skip_nblock glob_loc go_angles go_bonds gp1cc gp1cc.F90 Gpairs_type gpp1cc gpp1cc.F90 gpu_linalg_init gpu_linalg_shutdown gpu_xgemm gpu_xorthonormalize gpu_xtrsm gradberry3 gradberry3.F90 gran_potrec gran_potrec.F90 graph graph.F90 green_atomic_hubbard green_kernel green_kernel.F90 green_type grid_scalapack gridgcart gridgcart.F90 group_k_t gs_hamiltonian_type gsph_fft_tabs gsph_g_idx gsph_gmg_fftidx gsph_gmg_idx gsph_in_fftbox gstate gstate.F90 gstateimg gstateimg.F90 gtblk9 gtblk9.F90 gtdyn9 gtdyn9.F90 gvectors_type gw_driver gw_driver.F90 gw_eet_chi0 gw_eet_chi0_vkb gw_eet_sigma gw_eet_sigma_vkb gw_tools.F90 gwcompleteness.F90

H

H_D_distrib handle_err handle_ncerr handle_ncerr.F90 hartre hartre.F90 hartre1 hartre1.F90 hartrestr hartrestr.F90 has_BZ_item has_IBZ_item hash haydock.F90 haydock_herm haydock_herm_algo haydock_mdf_to_tensor haydock_psherm haydock_psherm.F90 haydock_psherm_optalgo haydock_restart hdr_check hdr_check.F90 hdr_clean hdr_comm hdr_comm.F90 hdr_copy hdr_fform2ftype hdr_ftype2fform hdr_get_nelect_byocc hdr_init hdr_init_lowlvl hdr_io.F90 hdr_io_etsf hdr_io_etsf.F90 hdr_io_int hdr_io_netcdf.F90 hdr_io_netcdf_wfftype hdr_io_wfftype hdr_mpio_skip hdr_nullify hdr_skip.F90 hdr_skip_int hdr_skip_wfftype hdr_type hdr_update hdr_update.F90 hdr_vs_dtset hdr_vs_dtset.F90 herald herald.F90 herm_melements hermit hermit.F90 hermitianize_dpc hermitianize_spc hessinit hessinit.F90 hessupdt hessupdt.F90 hilbert_transform hilbert_transform_headwings hirsh hirsh.F90 hist2var hist2var.F90 hist_compare hist_compare.F90 holocell holocell.F90 hu_type hubbard_one hubbard_one.F90 HUr_commutator hybrid9 hybrid9.F90

I

i2s i_padding icip_green identity_oper identk identq idx_glob idx_loc idx_spatial_inversion ifc_type ifclo9 ifclo9.F90 ifermi12 ifermi32 ifermi52 ifermim12 ifromr ig2gfft ilm2lm im_screening imax_loc_int imax_loc_rdp imin_loc_int imin_loc_rdp importcml importcml.F90 importxyz importxyz.F90 impurity_solve impurity_solve.F90 inarray inarray.F90 incomprs incomprs.F90 ind_positions_ indeces_destroy indeces_t indefo indefo.F90 indefo1 indefo1.F90 indfftrisc indfftrisc.F90 indgrid indgrid.F90 indirect_parallel_Fourier indirect_parallel_Fourier.F90 ingeo ingeo.F90 ingeobld ingeobld.F90 ini_wf_etsf ini_wf_etsf.F90 ini_wf_netcdf ini_wf_netcdf.F90 init8 init8.F90 init9 init9.F90 init_atom init_bands_symmetries init_bess_spl init_bess_spl.F90 init_crystal init_crystal_from_hdr init_ddiago_ctl init_dmft init_electronpositron init_energy init_Er_from_file init_FFT_prof init_FFT_test init_Gpairs_type init_green init_green_tau init_groupk_from_file init_gsphere init_hamiltonian init_hu init_irrep init_iskg_tabs init_kb_potential init_kmesh init_lebedev_grid init_lebedev_gridset init_matlu init_matrix_scalapack init_melements Init_MetricRec init_mpi_enreg Init_nlpspRec init_occ_ent init_occ_ent.F90 init_oper init_oscillator init_paw_an init_paw_ij init_paw_pwave_lmn init_paw_pwff init_paw_pwij init_pawang init_pawfgr init_peaks_even_dist init_peaks_from_grid init_phondos init_point_group init_primcell_ddb_info init_radmesh init_results_gs init_results_gs_array init_results_img init_results_out init_results_respfn init_sc_dmft init_scalapack init_scf_history init_ScrHdr init_sigma_results init_single_peak init_slatang_cshell init_slatrad4 init_sltrad_cshell init_spectra init_supercell init_tetra init_tetra_tab init_timer init_transitions init_wave_0D init_ylm_spl init_ylm_spl.F90 initaim initaim.F90 initang initang.F90 initberry initberry.F90 initberry3 initberry3.F90 InitGPU initialize_self initmpi_atom initmpi_atom.F90 initmpi_band initmpi_band.F90 initmpi_fft initmpi_fft.F90 initmpi_grid initmpi_grid.F90 initmpi_gs initmpi_gs.F90 initmpi_img initmpi_img.F90 initmpi_respfn initmpi_respfn.F90 initmpi_seq initmpi_seq.F90 initmpi_world initmpi_world.F90 initmv initmv.F90 InitRec InitRecGPU InitRecGPU_0 initrhoij initrhoij.F90 initro initro.F90 InitWanData initwf initwf.F90 initylmg initylmg.F90 initylmr initylmr.F90 inkpts inkpts.F90 inpar inpar.F90 inpgkk inpgkk.F90 inpphon inpphon.F90 inprep8 inprep8.F90 inpspheads.F90 inpspheads.F90 inqpt inqpt.F90 inread inread.F90 inreplsp inreplsp.F90 insert_plan3 inspln inspln.F90 instr9 instr9.F90 instrng instrng.F90 insy3 insy3.F90 int2char int2char.F90 int2char4 int2char4.F90 int_ang int_ang.F90 int_fct intagm intagm.F90 integrate_gamma integrate_gamma.F90 integrate_gamma_alt integrate_gamma_alt.F90 integrate_gamma_tr integrate_gamma_tr.F90 integrate_green integrho integrho.F90 integvol integvol.F90 interpol3d interpol3d.F90 interpol3d_indices interpolate_gkk interpolate_gkk.F90 interpolate_phfrq interpolate_phfrq.F90 interpolate_sigmak interpolate_w inupper inupper.F90 invacuum invacuum.F90 invars0 invars0.F90 invars1 invars1.F90 invars1m invars1m.F90 invars2 invars2.F90 invars2m invars2m.F90 invars7w invars7w.F90 invars9 invars9.F90 invcb invcb.F90 inverse_matlu inverse_oper inwffil inwffil.F90 inwffil3 inwffil3.F90 io_hndl ioarr ioarr.F90 ioddb8_in ioddb8_in.F90 ioddb8_out ioddb8_out.F90 iofn1 iofn1.F90 iofn2 iofn2.F90 ionion_realspace ionion_realspace.F90 ioniondist ioniondist.F90 IRadFnH(a irred_perts irred_perts.F90 irrep_t irrzg irrzg.F90 is_connected is_digit_0D is_input_variable is_input_variable.F90 is_integer_0D is_integer_1D is_letter is_netcdf_file is_open is_open_fname is_zero_rdp_0D is_zero_rdp_1d isallocated_gwpc_2D isallocated_gwpc_3D isame_radmesh isamek isequalk iseven isfile isfile.F90 iskg_tabs_t isknown_headform isopress isordered isostress isotemp isotemp.F90 ispointer_gwpc_2D ispointer_gwpc_3D isymmorphic iter2_alloc iter2_destroy iter2_lbound iter2_len iter2_print iter2_push iter2_size iter2_t iter2_ubound iter2_yield iter3_t

J

jbessel jbessel.F90 jbessel_4spline jellium jellium.F90 joint_dos Jpt_gwpc_2D Jpt_gwpc_3D jvec_to_B jvec_to_B.F90

K

k2gamma_centered k_fermi k_neighbors k_neighbors.F90 k_rpa k_rpa.F90 k_thfermi kb_form_factors kb_potential kdata_init kdata_t kgindex kgindex.F90 klmn2ijlmn klocal klocal.F90 kpg3 kpg3.F90 kpgio kpgio.F90 kpgsph kpgsph.F90 kpgstr kpgstr.F90 kptindex kptindex.F90 kptrank_type kramerskronig kramerskronig.F90 ks_ddiago ks_ddiago.F90 ks_intp_free_2D ks_intp_init ks_intp_nullify_0D ks_intp_nullify_2D ksint_free_0D ksintp_t kss2wfk kss2wfk.F90 kxc_alda kxc_alda.F90 kxc_eok kxc_eok.F90 kxc_pgg kxc_pgg.F90

L

l l2norm_rdp l_padding ladielmt ladielmt.F90 laguerre laplacian laplacian.F90 lattice lattice.F90 lavnl lavnl.F90 lcalcu ldau_self ldau_self.F90 leave_myproc leave_myproc.F90 leave_new leave_new.F90 leave_test leave_test.F90 lebedev_grid_t lebedev_laikov_int lebedev_quadrature libxc_functionals libxc_functionals_end libxc_functionals_getvxc libxc_functionals_init libxc_functionals_isgga libxc_functionals_ismgga libxc_functionals_nspin Lij Lij.F90 lin_interpq_gam lin_interpq_gam.F90 linalg_ext linear_optics_paw linear_optics_paw.F90 lineint lineint.F90 linemin linemin.F90 linfit_dpc linfit_rdp linfit_spc linmin linmin.F90 linopt linopt.F90 linvmat listkk listkk.F90 little_group llsfit_svd lm_fit_print_info lmdif lmdif1 lmpar lobpcgccIIIwf lobpcgccIIIwf.F90 lobpcgccIIwf lobpcgccIIwf.F90 lobpcgIIIwf lobpcgIIwf lobpcgIIwf.F90 lobpcgwf lobpcgwf.F90 loc_glob loc_oper local_forces_new local_ks_green local_ks_green.F90 localorb_S localorb_S.F90 locate_sym loop3dte loop3dte.F90 loper3 loper3.F90 lower lprtmat lstrip lwf lwf.F90 lxyz.F90 lxyz.F90

M

m_ab6_invars_f90 m_ab6_invars_f90.F90 m_abi_etsf m_abi_etsf.F90 m_abilasi m_abilasi.F90 m_atom m_atom.F90 m_atprj m_atprj.F90 m_bands_sym m_bands_sym.F90 m_blas m_blas.F90 m_bs_defs m_bs_defs.F90 m_bse_io m_bse_io.F90 m_bspline m_bspline.F90 m_build_info m_build_info.F90 m_build_info/dump_config m_build_info_fake m_build_info_fake.F90 m_bz_mesh m_bz_mesh.F90 m_clib m_clib.F90 m_colquad m_colquad.F90 m_commutator_vkbr m_commutator_vkbr.F90 m_copy m_copy.F90 m_cppopts_dumper m_cppopts_dumper.F90 m_cppopts_dumper/dump_cpp_options m_cprj_bspline m_cprj_bspline.F90 m_crystal m_crystal.F90 m_crystal_io m_crystal_io.F90 m_ddb_blk m_ddb_blk.F90 m_defs_ptgroups m_defs_ptgroups.F90 m_delocint m_delocint.F90 m_dyson_solver m_dyson_solver.F90 m_ebands m_ebands.F90 m_efield m_efield.F90 m_eigen m_eigen.F90 m_electronpositron m_electronpositron.F90 m_energies m_energies.F90 m_energy m_energy.F90 m_eph m_eph.F90 m_errors m_errors.F90 m_exp_mat m_exp_mat.F90 m_fft_mesh m_fft_mesh.F90 m_FFT_prof m_fft_prof.F90 m_fftw3 m_fftw3.F90 m_fstrings m_fstrings.F90 m_gamma.F90 m_geometry m_geometry.F90 m_gpu_detect m_gpu_detect.F90 m_green m_green.F90 m_gsphere m_gsphere.F90 m_gwannier m_gwannier.F90 m_gwdefs m_gwdefs.F90 m_hamiltonian m_hamiltonian.F90 m_header m_header.F90 m_header_init m_hidecudarec m_hidecudarec.F90 m_hu m_hu.F90 m_ifc m_ifc.F90 m_initcuda m_initcuda.F90 m_io_gkk m_io_gkk.F90 m_io_kss m_io_kss.F90 m_io_screening m_io_screening.F90 m_io_tools m_io_tools.F90 m_iso_c_binding m_iso_c_bindings.F90 m_iterators m_iterators.F90 m_jolly_pointers m_jolly_pointers.F90 m_kptrank m_kptrank.F90 m_lebedev m_lebedev.F90 m_lebedev_is_init m_levenberg_marquardt m_levenberg_marquardt.F90 m_libxc_functionals.F90 m_lmn_indices m_lmn_indices.F90 m_lobpcg m_lobpcg.F90 m_lobpcgIIIwf.F90 m_matlu m_matlu.F90 m_matrix m_matrix.F90 m_melemts m_melemts.F90 m_model_screening m_model_screening.F90 m_numeric_tools m_numeric_tools.F90 m_oper m_oper.F90 m_optim_dumper m_optim_dumper.F90 m_optim_dumper/dump_config m_oscillators.F90 m_paw_commutator m_paw_commutator.F90 m_paw_dmft m_paw_dmft.F90 m_paw_pwij m_paw_pwij.F90 m_paw_slater m_paw_slater.F90 m_paw_toolbox m_paw_toolbox.F90 m_per_cond m_per_cond.F90 m_phdos m_phdos.F90 m_phonon_supercell m_phonon_supercell.F90 m_pimd m_pimd.F90 m_ppmodel m_ppmodel.F90 m_pretty_rec m_pretty_rec.F90 m_primcell_ddb_info m_primcell_ddb_info.F90 m_profiling m_profiling.F90 m_prtscphon m_prtscphon.F90 m_ptgroups m_ptgroups.F90 m_qparticles m_qparticles.F90 m_radmesh m_radmesh.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_scf_history m_scf_history.F90 m_screen.F90 m_screening m_screening.F90 m_self m_self.F90