文件名称:PH
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晶格动力学计算工具ph.x,完整代码,包含makefile-Lattice dynamics calculation tools ph.x, complete code, including the makefile
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下载文件列表
PH/
PH/acfdtest.f90
PH/add_dkmds.f90
PH/add_for_charges.f90
PH/add_zstar_ue.f90
PH/add_zstar_ue_us.f90
PH/addcore.f90
PH/adddvepsi_us.f90
PH/adddvscf.f90
PH/addnlcc.f90
PH/addnlcc_zstar_eu_us.f90
PH/addusdbec.f90
PH/addusdbec_nc.f90
PH/addusddens.f90
PH/addusddense.f90
PH/addusdynmat.f90
PH/addusldos.f90
PH/allocate_part.f90
PH/allocate_pert.f90
PH/allocate_phq.f90
PH/apply_dpot.f90
PH/bcast_ph_input.f90
PH/ccg_psi.f90
PH/cch_psi_all.f90
PH/cft_wave.f90
PH/cg_psi.f90
PH/cgsolve_all.f90
PH/cgsolve_all_imfreq.f90
PH/ch_psi_all.f90
PH/check_initial_status.f90
PH/check_q_points_sym.f90
PH/check_restart_recover.f90
PH/chi_test.f90
PH/clean_pw_ph.f90
PH/clinear.f90
PH/close_phq.f90
PH/compute_alphasum.f90
PH/compute_becalp.f90
PH/compute_becsum_ph.f90
PH/compute_drhous.f90
PH/compute_drhous_nc.f90
PH/compute_dvloc.f90
PH/compute_nldyn.f90
PH/compute_vsgga.f90
PH/compute_weight.f90
PH/d2ionq.f90
PH/d2mxc.f90
PH/davcio_drho.f90
PH/deallocate_part.f90
PH/deallocate_phq.f90
PH/dgradcorr.f90
PH/dhdrhopsi.f90
PH/dielec.f90
PH/dielec_test.f90
PH/drho.f90
PH/drhodv.f90
PH/drhodvloc.f90
PH/drhodvnl.f90
PH/drhodvus.f90
PH/dv_of_drho.f90
PH/dvanqq.f90
PH/dvkb3.f90
PH/dvpsi_e.f90
PH/dvpsi_e2.f90
PH/dvqpsi_us.f90
PH/dvqpsi_us_only.f90
PH/dyndia.f90
PH/dynmat.f90
PH/dynmat0.f90
PH/dynmat_us.f90
PH/dynmatcc.f90
PH/dynmatrix.f90
PH/ef_shift.f90
PH/el_opt.f90
PH/el_ph_collect.f90
PH/elph.f90
PH/elphon.f90
PH/find_equiv_sites.f90
PH/find_mode_sym.f90
PH/fqha.f90
PH/generate_dynamical_matrix_c.f90
PH/generate_effective_charges_c.f90
PH/gmressolve_all.f90
PH/h_psiq.f90
PH/hdiag.f90
PH/incdrhoscf.f90
PH/incdrhoscf_nc.f90
PH/incdrhous.f90
PH/incdrhous_nc.f90
PH/init_representations.f90
PH/initialize_ph.f90
PH/io_dyn_mat.f90
PH/io_pattern.f90
PH/lambda.f90
PH/localdos.f90
PH/make.depend
PH/Makefile
PH/matdyn.f90
PH/mode_group.f90
PH/newdq.f90
PH/openfilq.f90
PH/orthogonalize.f90
PH/pcgreen.f90
PH/ph_restart.f90
PH/phcom.f90
PH/phescf.f90
PH/phonon.f90
PH/phq_init.f90
PH/phq_readin.f90
PH/phq_recover.f90
PH/phq_setup.f90
PH/phq_summary.f90
PH/phqscf.f90
PH/polariz.f90
PH/prepare_q.f90
PH/prepare_sym_analysis.f90
PH/print_clock_ph.f90
PH/psidspsi.f90
PH/psym_dmag.f90
PH/psym_dmage.f90
PH/psymdvscf.f90
PH/psyme.f90
PH/psyme2.f90
PH/punch_plot_e.f90
PH/punch_plot_ph.f90
PH/q2qstar_ph.f90
PH/q2r.f90
PH/q_points.f90
PH/qdipol_cryst.f90
PH/raman.f90
PH/raman_mat.f90
PH/ramanm.f90
PH/random_matrix.f90
PH/rigid.f90
PH/rotate_and_add_dyn.f90
PH/run_pwscf.f90
PH/save_ph_input.f90
PH/set_asr_c.f90
PH/set_defaults_pw.f90
PH/set_drhoc.f90
PH/set_dvscf.f90
PH/set_int12_nc.f90
PH/set_irr.f90
PH/set_irr_mode.f90
PH/set_irr_nosym.f90
PH/set_irr_sym.f90
PH/setlocq.f90
PH/setqmod.f90
PH/setup_dgc.f90
PH/sgam_ph.f90
PH/smallgq.f90
PH/solve_e.f90
PH/solve_e2.f90
PH/solve_e_fpol.f90
PH/solve_e_nscf.f90
PH/solve_linter.f90
PH/star_q.f90
PH/stop_ph.f90
PH/summarize.f90
PH/sym_and_write_zue.f90
PH/sym_def.f90
PH/sym_dmag.f90
PH/sym_dmage.f90
PH/symdvscf.f90
PH/symdyn_munu.f90
PH/symdynph_gq.f90
PH/syme.f90
PH/syme2.f90
PH/symm.f90
PH/tra_write_matrix.f90
PH/transform_alphasum_nc.f90
PH/transform_alphasum_so.f90
PH/transform_dbecsum_nc.f90
PH/transform_dbecsum_so.f90
PH/transform_int_nc.f90
PH/transform_int_so.f90
PH/trntnsc.f90
PH/write_dyn_on_file.f90
PH/write_epsilon_and_zeu.f90
PH/write_matrix.f90
PH/write_ramtns.f90
PH/write_rec.f90
PH/xk_wk_collect.f90
PH/zstar_eu.f90
PH/zstar_eu_us.f90
PH/acfdtest.f90
PH/add_dkmds.f90
PH/add_for_charges.f90
PH/add_zstar_ue.f90
PH/add_zstar_ue_us.f90
PH/addcore.f90
PH/adddvepsi_us.f90
PH/adddvscf.f90
PH/addnlcc.f90
PH/addnlcc_zstar_eu_us.f90
PH/addusdbec.f90
PH/addusdbec_nc.f90
PH/addusddens.f90
PH/addusddense.f90
PH/addusdynmat.f90
PH/addusldos.f90
PH/allocate_part.f90
PH/allocate_pert.f90
PH/allocate_phq.f90
PH/apply_dpot.f90
PH/bcast_ph_input.f90
PH/ccg_psi.f90
PH/cch_psi_all.f90
PH/cft_wave.f90
PH/cg_psi.f90
PH/cgsolve_all.f90
PH/cgsolve_all_imfreq.f90
PH/ch_psi_all.f90
PH/check_initial_status.f90
PH/check_q_points_sym.f90
PH/check_restart_recover.f90
PH/chi_test.f90
PH/clean_pw_ph.f90
PH/clinear.f90
PH/close_phq.f90
PH/compute_alphasum.f90
PH/compute_becalp.f90
PH/compute_becsum_ph.f90
PH/compute_drhous.f90
PH/compute_drhous_nc.f90
PH/compute_dvloc.f90
PH/compute_nldyn.f90
PH/compute_vsgga.f90
PH/compute_weight.f90
PH/d2ionq.f90
PH/d2mxc.f90
PH/davcio_drho.f90
PH/deallocate_part.f90
PH/deallocate_phq.f90
PH/dgradcorr.f90
PH/dhdrhopsi.f90
PH/dielec.f90
PH/dielec_test.f90
PH/drho.f90
PH/drhodv.f90
PH/drhodvloc.f90
PH/drhodvnl.f90
PH/drhodvus.f90
PH/dv_of_drho.f90
PH/dvanqq.f90
PH/dvkb3.f90
PH/dvpsi_e.f90
PH/dvpsi_e2.f90
PH/dvqpsi_us.f90
PH/dvqpsi_us_only.f90
PH/dyndia.f90
PH/dynmat.f90
PH/dynmat0.f90
PH/dynmat_us.f90
PH/dynmatcc.f90
PH/dynmatrix.f90
PH/ef_shift.f90
PH/el_opt.f90
PH/el_ph_collect.f90
PH/elph.f90
PH/elphon.f90
PH/find_equiv_sites.f90
PH/find_mode_sym.f90
PH/fqha.f90
PH/generate_dynamical_matrix_c.f90
PH/generate_effective_charges_c.f90
PH/gmressolve_all.f90
PH/h_psiq.f90
PH/hdiag.f90
PH/incdrhoscf.f90
PH/incdrhoscf_nc.f90
PH/incdrhous.f90
PH/incdrhous_nc.f90
PH/init_representations.f90
PH/initialize_ph.f90
PH/io_dyn_mat.f90
PH/io_pattern.f90
PH/lambda.f90
PH/localdos.f90
PH/make.depend
PH/Makefile
PH/matdyn.f90
PH/mode_group.f90
PH/newdq.f90
PH/openfilq.f90
PH/orthogonalize.f90
PH/pcgreen.f90
PH/ph_restart.f90
PH/phcom.f90
PH/phescf.f90
PH/phonon.f90
PH/phq_init.f90
PH/phq_readin.f90
PH/phq_recover.f90
PH/phq_setup.f90
PH/phq_summary.f90
PH/phqscf.f90
PH/polariz.f90
PH/prepare_q.f90
PH/prepare_sym_analysis.f90
PH/print_clock_ph.f90
PH/psidspsi.f90
PH/psym_dmag.f90
PH/psym_dmage.f90
PH/psymdvscf.f90
PH/psyme.f90
PH/psyme2.f90
PH/punch_plot_e.f90
PH/punch_plot_ph.f90
PH/q2qstar_ph.f90
PH/q2r.f90
PH/q_points.f90
PH/qdipol_cryst.f90
PH/raman.f90
PH/raman_mat.f90
PH/ramanm.f90
PH/random_matrix.f90
PH/rigid.f90
PH/rotate_and_add_dyn.f90
PH/run_pwscf.f90
PH/save_ph_input.f90
PH/set_asr_c.f90
PH/set_defaults_pw.f90
PH/set_drhoc.f90
PH/set_dvscf.f90
PH/set_int12_nc.f90
PH/set_irr.f90
PH/set_irr_mode.f90
PH/set_irr_nosym.f90
PH/set_irr_sym.f90
PH/setlocq.f90
PH/setqmod.f90
PH/setup_dgc.f90
PH/sgam_ph.f90
PH/smallgq.f90
PH/solve_e.f90
PH/solve_e2.f90
PH/solve_e_fpol.f90
PH/solve_e_nscf.f90
PH/solve_linter.f90
PH/star_q.f90
PH/stop_ph.f90
PH/summarize.f90
PH/sym_and_write_zue.f90
PH/sym_def.f90
PH/sym_dmag.f90
PH/sym_dmage.f90
PH/symdvscf.f90
PH/symdyn_munu.f90
PH/symdynph_gq.f90
PH/syme.f90
PH/syme2.f90
PH/symm.f90
PH/tra_write_matrix.f90
PH/transform_alphasum_nc.f90
PH/transform_alphasum_so.f90
PH/transform_dbecsum_nc.f90
PH/transform_dbecsum_so.f90
PH/transform_int_nc.f90
PH/transform_int_so.f90
PH/trntnsc.f90
PH/write_dyn_on_file.f90
PH/write_epsilon_and_zeu.f90
PH/write_matrix.f90
PH/write_ramtns.f90
PH/write_rec.f90
PH/xk_wk_collect.f90
PH/zstar_eu.f90
PH/zstar_eu_us.f90
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