文件名称:PH
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Quantum-ESPRESSO中用于DFPT方法计算声子的源代码-The source code for DFPT calcutions, which can be used to obtain phonon info, in Quantum-ESPRESSO and wrote by Fortran.
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下载文件列表
PH
..\compute_dvloc.f90
..\compute_alphasum.f90
..\compute_vsgga.f90
..\cgsolve_all_imfreq.f90
..\transform_dbecsum_nc.f90
..\setqmod.f90
..\run_pwscf.f90
..\h_psiq.f90
..\solve_linter.f90
..\punch_plot_e.f90
..\prepare_sym_analysis.f90
..\dvpsi_e.f90
..\tra_write_matrix.f90
..\setup_dgc.f90
..\write_rec.f90
..\set_drhoc.f90
..\dynmat.f90
..\ramanm.f90
..\syme2.f90
..\setlocq.f90
..\phq_summary.f90
..\addnlcc_zstar_eu_us.f90
..\set_asr_c.f90
..\psymdvscf.f90
..\solve_e_nscf.f90
..\ccg_psi.f90
..\incdrhoscf_nc.f90
..\addusdynmat.f90
..\compute_weight.f90
..\lambda.f90
..\set_defaults_pw.f90
..\hdiag.f90
..\dvkb3.f90
..\dhdrhopsi.f90
..\addusddens.f90
..\newdq.f90
..\symdvscf.f90
..\check_q_points_sym.f90
..\mode_group.f90
..\dynmat_us.f90
..\symm.f90
..\save_ph_input.f90
..\dyndia.f90
..\allocate_phq.f90
..\zstar_eu.f90
..\phq_setup.f90
..\phq_init.f90
..\write_matrix.f90
..\sym_dmag.f90
..\q_points.f90
..\incdrhous_nc.f90
..\drhodvloc.f90
..\solve_e_fpol.f90
..\set_irr_sym.f90
..\open_dvscf_star_q.f90
..\solve_e.f90
..\sgam_ph.f90
..\fqha.f90
..\dvpsi_e2.f90
..\Makefile
..\dielec.f90
..\psym_dmage.f90
..\compute_becalp.f90
..\dielec_test.f90
..\acfdtest.f90
..\write_epsilon_and_zeu.f90
..\adddvepsi_us.f90
..\transform_int_nc.f90
..\bcast_ph_input.f90
..\d2mxc.f90
..\ph_restart.f90
..\io_dyn_mat.f90
..\incdrhoscf.f90
..\check_initial_status.f90
..\symdynph_gq.f90
..\drhodvus.f90
..\generate_dynamical_matrix_c.f90
..\raman_mat.f90
..\set_irr.f90
..\syme.f90
..\add_for_charges.f90
..\add_dkmds.f90
..\psym_dmag.f90
..\generate_effective_charges_c.f90
..\dynmat0.f90
..\orthogonalize.f90
..\xk_wk_collect.f90
..\elph.f90
..\solve_e2.f90
..\prepare_q.f90
..\write_dyn_on_file.f90
..\addnlcc.f90
..\q2qstar_ph.f90
..\symdyn_munu.f90
..\add_zstar_ue_us.f90
..\initialize_ph.f90
..\clinear.f90
..\dv_of_drho.f90
..\cgsolve_all.f90
..\compute_dvloc.f90
..\compute_alphasum.f90
..\compute_vsgga.f90
..\cgsolve_all_imfreq.f90
..\transform_dbecsum_nc.f90
..\setqmod.f90
..\run_pwscf.f90
..\h_psiq.f90
..\solve_linter.f90
..\punch_plot_e.f90
..\prepare_sym_analysis.f90
..\dvpsi_e.f90
..\tra_write_matrix.f90
..\setup_dgc.f90
..\write_rec.f90
..\set_drhoc.f90
..\dynmat.f90
..\ramanm.f90
..\syme2.f90
..\setlocq.f90
..\phq_summary.f90
..\addnlcc_zstar_eu_us.f90
..\set_asr_c.f90
..\psymdvscf.f90
..\solve_e_nscf.f90
..\ccg_psi.f90
..\incdrhoscf_nc.f90
..\addusdynmat.f90
..\compute_weight.f90
..\lambda.f90
..\set_defaults_pw.f90
..\hdiag.f90
..\dvkb3.f90
..\dhdrhopsi.f90
..\addusddens.f90
..\newdq.f90
..\symdvscf.f90
..\check_q_points_sym.f90
..\mode_group.f90
..\dynmat_us.f90
..\symm.f90
..\save_ph_input.f90
..\dyndia.f90
..\allocate_phq.f90
..\zstar_eu.f90
..\phq_setup.f90
..\phq_init.f90
..\write_matrix.f90
..\sym_dmag.f90
..\q_points.f90
..\incdrhous_nc.f90
..\drhodvloc.f90
..\solve_e_fpol.f90
..\set_irr_sym.f90
..\open_dvscf_star_q.f90
..\solve_e.f90
..\sgam_ph.f90
..\fqha.f90
..\dvpsi_e2.f90
..\Makefile
..\dielec.f90
..\psym_dmage.f90
..\compute_becalp.f90
..\dielec_test.f90
..\acfdtest.f90
..\write_epsilon_and_zeu.f90
..\adddvepsi_us.f90
..\transform_int_nc.f90
..\bcast_ph_input.f90
..\d2mxc.f90
..\ph_restart.f90
..\io_dyn_mat.f90
..\incdrhoscf.f90
..\check_initial_status.f90
..\symdynph_gq.f90
..\drhodvus.f90
..\generate_dynamical_matrix_c.f90
..\raman_mat.f90
..\set_irr.f90
..\syme.f90
..\add_for_charges.f90
..\add_dkmds.f90
..\psym_dmag.f90
..\generate_effective_charges_c.f90
..\dynmat0.f90
..\orthogonalize.f90
..\xk_wk_collect.f90
..\elph.f90
..\solve_e2.f90
..\prepare_q.f90
..\write_dyn_on_file.f90
..\addnlcc.f90
..\q2qstar_ph.f90
..\symdyn_munu.f90
..\add_zstar_ue_us.f90
..\initialize_ph.f90
..\clinear.f90
..\dv_of_drho.f90
..\cgsolve_all.f90