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 47_xml 49_gw_toolbox_oop

5

51_manage_cuda 51_manage_mpi 52_abiutil 52_fft_mpi_noabirule 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_gw 68_rsprc 69_bse

7

72_geomoptim 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_ _02_clib_ _02_clib_ _10_defs_ _12_hide_mpi_ _28_numeric_dirty_ _32_contract_ _32_util_ _42_geometry_ _42_nlstrain_ _42_parser_ _43_ptgroups_ _47_xml_ _49_gw_toolbox_oop_ _51_manage_cuda_ _51_manage_mpi_ _52_fft_mpi_noabirule_ _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_gw_ _68_rsprc_ _69_bse_ _72_geomoptim_ _72_response_ _77_ddb_ _77_lwf_ _77_suscep_ _79_seqpar_mpi_ _83_cut3d_ _95_drive_ _98_main_ _lib00numeric_

A

ab_movehistory ab_movetype abi_bands_put abi_Bands_read 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 abietsf_msg_hndl 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_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_cml append_cml.F90 append_cml2 append_cml2.F90 append_xyz append_xyz.F90 apply_flip_flop apply_scissor approxdelta aprxdr aprxdr.F90 Arjan_assemlychi0 Arjan_assemlychi02 Arjan_assemlychi02_q0 arth_int arth_rdp asria9 asria9.F90 asrif9 asrif9.F90 asrprs asrprs.F90 assemblychi0_EET.F90 assemblychi0_sym assemblychi0q0_sym assemblychi0sf assemblychi0sfq0 assemlychi0_q0 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 axial9 axial9.F90

B

band2eps band2eps.F90 bandfft_kpt_type bands_symmetries bandstructure_type basename bcp_type bec3 bec3.F90 begin_element berryphase berryphase.F90 berryphase_new berryphase_new.F90 besjm besjm.F90 bestwfs bestwfs.F90 bethe_salpeter bethe_salpeter.F90 bfactor bfactor.F90 bigbx9 bigbx9.F90 bisect_int bisect_rdp bldgrp bldgrp.F90 bldgrpaf bldgrpaf.F90 bldlwf bldlwf.F90 blok8 blok8.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 brdmin brdmin.F90 brdmin_fin brdmin_fin.F90 brdmin_init brdmin_init.F90 brent brent.F90 bschg1 bschg2 bstruct_clean bstruct_init build_grid_scalapack build_lebedev_grid build_processor_scalapack build_spectra bz_mesh_type

C

calc_b_matrix calc_b_matrix.F90 calc_btinv_matrix calc_coh calc_coh_comp calc_cs calc_cs.F90 calc_delta_ppm calc_delta_ppm2 calc_density calc_density.F90 calc_efg calc_efg.F90 calc_exch calc_exch.F90 calc_fc calc_fc.F90 calc_ffm calc_ffm.F90 calc_kkweight calc_oscillators calc_prim_int calc_prim_int.F90 calc_ptwg calc_ptwg.F90 calc_ptwg_g0 calc_ptwg_new calc_pw_oscillator calc_rpa_functional calc_rpa_functional.F90 calc_sig_ppm calc_sig_ppm.F90 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_sigx_me calc_sigx_me.F90 calc_slatradl calc_trsl calc_vHxc_braket calc_vhxc_braket calc_vhxc_me.F90 calc_vkb calc_wf_qp calc_wf_qp.F90 calc_wf_qp_Wfval calc_wfwfg calcdensph calcdensph.F90 Calcnrec calculate_pade_a canat9 canat9.F90 canct9 canct9.F90 cart29 cart29.F90 cart39 cart39.F90 cc_derivatives cc_derivatives.F90 ccfft ccfft.F90 ccgradvnl ccgradvnl_ylm cchi0 cchi0.F90 cchi0q0 cchi0q0.F90 cdp2rdp_1D cdp2rdp_2D cdp2rdp_3D cdp2rdp_4D cdp2rdp_5D cepsexc cepsexccoupl cepsrpagw cexch_haydock cexch_haydock.F90 cfcvk cggfft cginv cgpr cgpr.F90 cgwf cgwf.F90 cgwf3 cgwf3.F90 check_fourier_green check_fsumrule check_kramerskronig check_mpi_ierr check_phi_block check_rot_fft check_unit check_zarot chg_repr_matlu chi0_bbp_mask 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 cholesky_ortho cigfft ckxcldag ckxcldar classify_bands classify_bands.F90 clcqpg clcqpg.F90 clean_phon_ds clean_phon_ds.F90 CleanGPU CleanRec CleanRecGPU clnmpi_atom clnmpi_atom.F90 clnmpi_band clnmpi_band.F90 clnmpi_bandfft clnmpi_bandfft.F90 clnmpi_fft clnmpi_fft.F90 clnmpi_gs clnmpi_gs.F90 clnmpi_respfn clnmpi_respfn.F90 clnup1 clnup1.F90 clnup2 clnup2.F90 clp clp.F90 clsopn clsopn.F90 cmod_qpg cmpar8 cmpar8.F90 cmplx_sphcart coeff2_type coeff2c_type coeff3_type coeff4_type coeffi1_type cohsex_me cohsex_me.F90 combin compact compare_and_change_int compare_interpol compare_interpol.F90 complete_gamma complete_gamma.F90 complete_gkk complete_gkk.F90 completechi0_deltapart completeperts completeperts.F90 compmesh compmesh.F90 compute_eigen_problem compute_eigen_values_vectors compute_energy compute_green compute_ldau_energy compute_nb_elec conducti conducti.F90 conducti_nc conducti_nc.F90 conducti_paw conducti_paw.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_green copy_irrep copy_matlu copy_mflags copy_mpi_enreg copy_oper copy_paw_an_flags copy_paw_ij_flags copy_ScrHdr copymesh copymesh.F90 correct_init_kb_ffactors corrmetalwf1 corrmetalwf1.F90 coulombian_type cpdrv cpdrv.F90 cppm1par cppm2par cppm3par cppm4par cprj_alloc cprj_axpby cprj_bcast cprj_copy cprj_diskinit_r cprj_diskinit_w cprj_diskskip cprj_exch cprj_free cprj_get cprj_lincom cprj_mpi_allgather cprj_mpi_recv cprj_mpi_send cprj_nullify cprj_put cprj_transpose cprj_transpose_all cprj_type cprj_utils.F90 cprj_zaxpby cpu_distribution cqratio createIonicPotential_new crho crho.F90 critic critic.F90 critics critics.F90 cross_product_ crystal_structure 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 dang_d1 dang_d2 datafiles_type datafordmft datafordmft.F90 dataset_type dbeta dbeta.F90 dbond_length_d1 dc_self ddiago_ctl_type ddihedral_d1 ddihedral_d2 ddkten ddkten.F90 DEBUG_Gpairs__ debug_tools.F90 decompose_epsm1 deducer0 deducer0.F90 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_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_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 defs_xfuncmpi defs_xfuncmpi.F90 delete_file deloc2xcart deloc2xcart.F90 delocint delocint.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 derfc derfc.F90 destroy_atom destroy_bands_symmetries_0d destroy_bands_symmetries_2d destroy_bs_parameters destroy_bz_mesh_type destroy_coulombian destroy_crystal destroy_dmft destroy_electronpositron destroy_energy destroy_epsilonm1_parameters destroy_epsilonm1_results destroy_fermi_surface_0D destroy_fermi_surface_1D destroy_FFT_prof destroy_FFT_test 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_Gvectors destroy_hamiltonian destroy_hu destroy_Hur destroy_irrep_0D destroy_irrep_1D 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_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_pwff destroy_paw_pwij destroy_pawtab destroy_phondos destroy_plan destroy_point_group destroy_ppmodel destroy_primcell_ddb_info destroy_radmesh destroy_sc_dmft 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_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 diisRelax diisrelax.F90 dijangmom dijangmom.F90.sav dist2 dist2.F90 dist9 dist9.F90 distrb2 distrb2.F90 dmft_solve dmft_solve.F90 do_screening 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_ dpade dplan_many_dft dplan_many_dft_r2c driver driver.F90 drivexc drivexc.F90 drvaim drvaim.F90 dsksta dsksta.F90 dtchi dtchi.F90 dtech9 dtech9.F90 dtsetcopy dtsetcopy.F90 dtsetfree dtsetfree.F90 dtsetinit dtsetinit.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 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 elph_ds_clean elph_ds_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 enclose_degbands end_element end_scalapack energies_copy energies_init energies_tools energies_tools.F90 energies_type energy energy.F90 energy_type enlarge_timer 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_symmetrizer etheta etheta.F90 etot3 etot3.F90 etotfor etotfor.F90 etsf_dump_QP evspln evspln.F90 ewald ewald.F90 ewald2 ewald2.F90 ewald3 ewald3.F90 ewald4 ewald4.F90 ewald9 ewald9.F90 exc_iterative_diago exc_iterative_diago.F90 exccoupl excden excden.F90 exceig exceig.F90 excfiles exch exch.F90 exchange_electronpositron excoverlap excparam existent_file exp_mat_cx ExpandBands extraprho extraprho.F90 extrapwf extrapwf.F90

F

factorial fappnd fappnd.F90 fconv fconv.F90 fermi fermi.F90 fermi_green fermi_green.F90 fermi_surface_type fermisolverec fermisolverec.F90 fft_onewfn fftalg_info fftdata_t 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_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_r2c_op fftw3_set_in_place fftw3_set_nthreads fftw_plan_type fftwfn fftwfn.F90 fill_task_distrib_4D 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_qmesh find_set_gpu finddistrproc finddistrproc.F90 findggp_ findmarkup findmarkup.F90 findmin findmin.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 four_interpol fourdp fourdp.F90 fourdp_6d fourdp_6d.F90 fourdp_c2c_ip fourdp_c2c_op fourier_fct fourier_green fourwf fourwf.F90 fp12a1 fp32a1 fred2fdeloc fred2fdeloc.F90 free_scrhdr 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 ftiaf9 ftiaf9.F90 function_and_deriv fxgkkphase fxgkkphase.F90 fxphas fxphas.F90

G

gam_mult_displ gamma9 gamma9.F90 gammapositron gammapositron.F90 gath3 gath3.F90 gather_matlu gaugetransfo gaugetransfo.F90 gaunt gaunt.F90 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_gkk_qpt_tr get_gkk_qpt_tr.F90 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_ppm_eigenvalues get_pt0_pt1 get_rank_1kpt get_reclen get_rhor get_susd_null get_susd_null.F90 get_tetra get_tetra.F90 get_tetra_weight get_tetra_weight.F90 get_topo get_trace_cdp get_trace_int get_unit get_unit_from_fname get_valence_idx get_wfr getattribute getattribute.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 getfreqsus getfreqsus.F90 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 getwtk getwtk.F90 gg1cc gg1cc.F90 ggw gipaw_j_dia gipaw_j_dia_bare gipaw_j_dia_bare.F90 gkk_handler_type gkk_type glob_loc gp1cc gp1cc.F90 Gpairs_type gpp1cc gpp1cc.F90 gradberry3 gradberry3.F90 gran_potrec gran_potrec.F90 graph graph.F90 green_atomic_hubbard green_kernel green_kernel.F90 green_type gridgcart gridgcart.F90 group_k_t gs_hamiltonian_type gstate gstate.F90 gstateimg gstateimg.F90 gtblk9 gtblk9.F90 gtdyn9 gtdyn9.F90 gvectors_type gw2wfk gw2wfk.F90 gw_driver gw_driver.F90 gw_EET gw_sctype_from_name gw_tools.F90 gwcompleteness.F90

H

H_D_distrib handle_err handle_err_netcdf handle_err_netcdf.F90 handle_ncerr handle_ncerr.F90 hartre hartre.F90 hartre1 hartre1.F90 hartrestr hartrestr.F90 has_BZ_item has_IBZ_item hash haydock haydock.F90 haydock_diago hdr_check hdr_check.F90 hdr_clean hdr_comm hdr_comm.F90 hdr_copy hdr_get_nelect_byocc hdr_init hdr_io hdr_io.F90 hdr_io_etsf hdr_io_etsf.F90 hdr_io_netcdf hdr_io_netcdf.F90 hdr_nullify hdr_skip hdr_skip.F90 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 hirsh hirsh.F90 hist2var hist2var.F90 holocell holocell.F90 hu_type hubbard_one hubbard_one.F90 HUr_commutator hybrid9 hybrid9.F90

I

i2s icip_green identifyg identity_oper identk identq idx_glob idx_loc idx_spatial_inversion ifclo9 ifclo9.F90 ifermi12 ifermi32 ifermi52 ifermim12 ifromr ifromr.F90 ig2gfft ilm2lm 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_Gvectors_type init_hamiltonian init_hu init_irrep init_kb_potential init_kmesh init_lebedev_grid init_lebedev_gridset init_matlu init_matrix_scalapack init_melements Init_MetricRec Init_nlpspRec init_occ_ent init_occ_ent.F90 init_oper init_oscillator init_paw_an init_paw_ij init_paw_pwff init_paw_pwij init_pawfgr init_phondos init_point_group init_ppmodel init_primcell_ddb_info init_radmesh init_sc_dmft init_scalapack init_ScrHdr init_sigma_results init_slatang_cshell init_slatrad4 init_sltrad_cshell init_spectra init_tetra 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_respfn initmpi_respfn.F90 initmpi_seq initmpi_seq.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 inread inread.F90 inreplsp inreplsp.F90 insert_plan 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 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 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 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_rpa k_rpa.F90 kb_form_factors kb_potential kdata_t kgindex kgindex.F90 klmn2ijlmn klocal klocal.F90 kpg3 kpg3.F90 kpgio kpgio.F90 kpgsph kpgsph.F90 kpgstr kpgstr.F90 kptindex kptindex.F90 kramerskronig kramerskronig.F90 ks_ddiago ks_ddiago.F90 kxc_alda kxc_alda.F90 kxc_eok kxc_eok.F90 kxc_pgg kxc_pgg.F90

L

l2norm_rdp ladielmt ladielmt.F90 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_quadrature libxc_functionals libxc_functionals_end libxc_functionals_getvxc libxc_functionals_init libxc_functionals_isgga libxc_functionals_ismgga Lij Lij.F90 lin_interpq_gam lin_interpq_gam.F90 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 lobpcgccIIIwf lobpcgccIIIwf.F90 lobpcgccIIwf lobpcgccIIwf.F90 lobpcgccwf lobpcgccwf.F90 lobpcgIIIwf lobpcgIIIwf.F90 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_bands_sym m_bands_sym.F90 m_blas m_blas.F90 m_bs_defs m_bs_defs.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_commutator_vkbr m_commutator_vkbr.F90 m_converters m_converters.F90 m_copy m_copy.F90 m_coulombian m_coulombian.F90 m_cppopts_dumper m_cppopts_dumper.F90 m_cppopts_dumper/dump_cpp_options m_crystal m_crystal.F90 m_defs_ptgroups m_defs_ptgroups.F90 m_dyson_solver m_dyson_solver.F90 m_ebands m_ebands.F90 m_electronpositron m_electronpositron.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_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_hidecudarec m_hidecudarec.F90 m_hu m_hu.F90 m_initcuda m_initcuda.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_lebedev m_lebedev.F90 m_lebedev_is_init m_libxc_functionals.F90 m_lmn_indices m_lmn_indices.F90 m_matlu m_matlu.F90 m_matrix m_matrix.F90 m_melemts m_melemts.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_ppmodel m_ppmodel.F90 m_pretty_rec m_pretty_rec.F90 m_primcell_ddb_info m_primcell_ddb_info.F90 m_pseudo m_pseudo.F90 m_pseudo_types m_pseudo_types.F90 m_ptgroups m_ptgroups.F90 m_qparticles m_qparticles.F90 m_radmesh m_radmesh.F90 m_rec m_rec.F90 m_rec_tools m_rec_tools.F90 m_screening m_screening.F90 m_self m_self.F90 m_sgfft m_sgfft.F90 m_sigma_results m_sigma_results.F90 m_special_funcs m_special_funcs.F90 m_spectra m_spectra.F90 m_splines m_splines.F90 m_splines/splfit m_splines/spline m_splines/spline_bicubic m_splines/spline_c m_splines/spline_complex m_splines/splint m_splines/splint_complex m_timer m_timer.F90 m_wannier2abinit m_wannier2abinit.F90 m_wffile m_wffile.F90 m_wfs.F90 m_xredistribute m_xredistribute.F90 macro_uj_type macroave macroave.F90 macroin macroin.F90 mag_loc_k mag_loc_k.F90 mag_nonloc_k mag_nonloc_k.F90 mag_out mag_out.F90 magcart magcart.F90 make_angles make_angles.F90 make_bonds make_bonds.F90 make_cs_dia make_cs_dia.F90 make_dihedrals make_dihedrals.F90 make_efg_el make_efg_el.F90 make_efg_ion make_efg_ion.F90 make_efg_paw make_efg_paw.F90 make_epsm1_driver make_fc_paw make_fc_paw.F90 make_Hur_commutator make_indklmn make_indlmn make_indln make_klm2lm make_kln2ln make_mesh make_path make_prim_internals make_prim_internals.F90 make_transitions make_W MakeWannierHR mat_mlms2jmj mat_mlms2jmj.F90 mat_slm2ylm mat_slm2ylm.F90 matcginv matcginv.F90 matcginv_dpc matcginv_dpc.F90 match mati3inv mati3inv.F90 matlu_type matr3eigval matr3eigval.F90 matr3inv matr3inv.F90 matrginv matrginv.F90 matrix_from_global matrix_get_local_cplx matrix_get_local_real matrix_pzgemm matrix_set_local_cplx matrix_set_local_real matrix_to_global matrix_to_reference matrixelements matrixelements_cutoff matrixelmt_g matrixelmt_g.F90 mean_fftr mean_fftr.F90 meanvalue_g meanvalue_g.F90 melements_flags_type melements_type memana memana.F90 memkss memkss.F90 memorf memorf.F90 memory memory.F90 merge_and_sort_kg merge_kgirr merge_kgirr.F90 merge_ScrHdr metcon metcon.F90 metcon_so metcon_so.F90 metric metric.F90 metric_so metric_so.F90 metricrec_type metstr metstr.F90 midpoint_ mincm mk_hdr_check_fmt mk_irredpert mk_irredpert.F90 mka2f mka2f.F90 mka2f_tr mka2f_tr.F90 mka2fQgrid mka2fQgrid.F90 mkcor3 mkcor3.F90 mkcore mkcore.F90 mkdenpos mkdenpos.F90 mkdump_Er mkem1_q0 mkeuler mkeuler.F90 mkffkg mkffkg.F90 mkffkg3 mkffkg3.F90 mkffnl mkffnl.F90 mkfilename mkfilename.F90 mkfskgrid mkfskgrid.F90 mkfsqgrid mkfsqgrid.F90 mkherm mkherm.F90 mkifc9 mkifc9.F90 mkkin mkkin.F90 mkkpg mkkpg.F90 mkkptrank mkkptrank.F90 mklocl mklocl.F90 mklocl_realspace mklocl_realspace.F90 mklocl_recipspace mklocl_recipspace.F90 mklocl_wavelets mklocl_wavelets.F90 mknesting mknesting.F90 mknormpath mknormpath.F90 mkph_linwid mkph_linwid.F90 mkphbs mkphbs.F90 mkphdos mkphdos.F90 mkqptequiv mkqptequiv.F90 mkrdim mkrdim.F90 mkresi mkresi.F90 mkrho mkrho.F90 mkrho3 mkrho3.F90 mkrhotwg_sigma mksubham mksubham.F90 mksupercell mksupercell.F90 mkvxc3 mkvxc3.F90 mkvxcgga3 mkvxcgga3.F90 mkvxcstr3 mkvxcstr3.F90 mkvxcstrgga3 mkvxcstrgga3.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 moldyn moldyn.F90 move move.F90 move_fin move_fin.F90 move_init move_init.F90 mover mover.F90 mpi_enreg_tools.F90 MPI_type mprod mrgddb mrgddb.F90 mrggkk mrggkk.F90 mrgscr mrgscr.F90 msg_hndl msig msig.F90 mttk_type mult_table multipoles_fftr multipoles_fftr.F90 multipoles_out mv_3dte mv_3dte.F90 mvrecord my_calc_wfwfg.F90 my_GWannier my_indeces my_locc my_locr my_mode2str my_nullify_atom my_reset_bz_mesh my_select_melements

N

name_of nanal9 nanal9.F90 nc_ihr_comm nderiv nderiv.F90 nderiv_gen nderiv_gen.F90 new_self newfermie1 newfermie1.F90 newkpt newkpt.F90 newocc newocc.F90 newrap_step newrho newrho.F90 newsp newsp.F90 newton newton.F90 newvtr newvtr.F90 newvtr3 newvtr3.F90 nhatgrid nhatgrid.F90 nlenergyrec nlenergyrec.F90 nlinopt nlinopt.F90 nlopt nlopt.F90 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_scalapack nonlinear nonlinear.F90 nonlop nonlop.F90 nonlop_pl nonlop_pl.F90 nonlop_ylm nonlop_ylm.F90 normalize normalize.F90 normalizepsichi normev normev.F90 normsq_gkq normsq_gkq.F90 normv_int_vector normv_int_vector_array normv_rdp_vector normv_rdp_vector_array nres2vres nres2vres.F90 nselt3 nselt3.F90 nstdy3 nstdy3.F90 nstpaw3 nstpaw3.F90 nstwf3 nstwf3.F90 nstwf4 nstwf4.F90 nuclear_type nullify_Bands_Symmetries_0D nullify_Bands_Symmetries_2D nullify_bs_parameters nullify_BZ_mesh nullify_coulombian_ nullify_crystal nullify_energy nullify_epsilonm1_parameters nullify_epsilonm1_results nullify_fermi_surface_0D nullify_fermi_surface_1D nullify_gkk_0D nullify_gkk_1D nullify_gkk_handler_0D nullify_gkk_handler_1D nullify_Gpairs_type nullify_green nullify_group_k nullify_Gvectors_ nullify_hamiltonian