文件名称:atomic
介绍说明－－下载内容均来自于网络，请自行研究使用
用于计算和生成原子赝势的代码，生成的赝势格式为UPF-This code is used for atomic pseudopotential generation in UPF format
(系统自动生成,下载前可以参看下载内容)
下载文件列表
atomic
......\compute_phi_tm.f90
......\write_cpmd.f90
......\find_qi.f90
......\kin_e_density.f90
......\ld1_setup.f90
......\set_sl3.f90
......\ascheqps.f90
......\lderiv.f90
......\make.depend
......\new_potential.f90
......\compute_chi_tm.f90
......\compute_potps.f90
......\write_results.f90
......\vxcgc.f90
......\elsd_highv.f90
......\dmixp.f90
......\parameters.f90
......\vext.f90
......\partial_wave_expansion.f90
......\compute_chi.f90
......\compute_relpert.f90
......\vpack.f90
......\scf.f90
......\ld1_readin.f90
......\dir_outward.f90
......\pseudovloc.f90
......\elsdps.f90
......\compute_potps_new.f90
......\dfx_new.f90
......\sic_correction.f90
......\write_paw_recon.f90
......\run_test.f90
......\trou.f90
......\read_pseudo_ncpp.f90
......\green.f90
......\inward.f90
......\normalize.f90
......\intref.f90
......\el_config.f90
......\starting_potential.f90
......\occ_spin.f90
......\dirsol.f90
......\cfdsol.f90
......\v_of_rho_at.f90
......\c6_dft.f90
......\compute_phi.f90
......\compute_q_3bess.f90
......\c6_tfvw.f90
......\add_exchange.f90
......\import_upf.f90
......\start_potps.f90
......\write_pseudo.f90
......\atomic_paw.f90
......\all_electron.f90
......\write_ae_pseudo.f90
......\Makefile
......\newd_at.f90
......\compute_solution.f90
......\set_rho_core.f90
......\descreening.f90
......\nodenum.f90
......\seriebes.f90
......\gener_pseudo.f90
......\vdpack.f90
......\dvex.f90
......\ld1inc.f90
......\integrate_inward.f90
......\chargeps.f90
......\ld1_writeout.f90
......\set_psi_in.f90
......\grad_log.f90
......\write_files.f90
......\drhoofv.f90
......\lderivps.f90
......\drho0ofvx.f90
......\ld1.f90
......\integrate_outward.f90
......\int_0_inf_dr.f90
......\read_pseudo_rrkj3.f90
......\calculate_gipaw_orbitals.f90
......\pseudo_q.f90
......\write_upf.f90
......\outward.f90
......\lschps.f90
......\start_scheq.f90
......\esic.f90
......\run_lda_half.f90
......\paw_type.f90
......\ascheqps_drv.f90
......\test_bessel.f90
......\ascheq.f90
......\elsdps_paw.f90
......\elsd.f90
......\run_pseudo.f90
......\set_rc_rv.f90
......\export_upf.f90
......\compute_phius.f90
......\write_resultsps.f90
......\compute_phi_tm.f90
......\write_cpmd.f90
......\find_qi.f90
......\kin_e_density.f90
......\ld1_setup.f90
......\set_sl3.f90
......\ascheqps.f90
......\lderiv.f90
......\make.depend
......\new_potential.f90
......\compute_chi_tm.f90
......\compute_potps.f90
......\write_results.f90
......\vxcgc.f90
......\elsd_highv.f90
......\dmixp.f90
......\parameters.f90
......\vext.f90
......\partial_wave_expansion.f90
......\compute_chi.f90
......\compute_relpert.f90
......\vpack.f90
......\scf.f90
......\ld1_readin.f90
......\dir_outward.f90
......\pseudovloc.f90
......\elsdps.f90
......\compute_potps_new.f90
......\dfx_new.f90
......\sic_correction.f90
......\write_paw_recon.f90
......\run_test.f90
......\trou.f90
......\read_pseudo_ncpp.f90
......\green.f90
......\inward.f90
......\normalize.f90
......\intref.f90
......\el_config.f90
......\starting_potential.f90
......\occ_spin.f90
......\dirsol.f90
......\cfdsol.f90
......\v_of_rho_at.f90
......\c6_dft.f90
......\compute_phi.f90
......\compute_q_3bess.f90
......\c6_tfvw.f90
......\add_exchange.f90
......\import_upf.f90
......\start_potps.f90
......\write_pseudo.f90
......\atomic_paw.f90
......\all_electron.f90
......\write_ae_pseudo.f90
......\Makefile
......\newd_at.f90
......\compute_solution.f90
......\set_rho_core.f90
......\descreening.f90
......\nodenum.f90
......\seriebes.f90
......\gener_pseudo.f90
......\vdpack.f90
......\dvex.f90
......\ld1inc.f90
......\integrate_inward.f90
......\chargeps.f90
......\ld1_writeout.f90
......\set_psi_in.f90
......\grad_log.f90
......\write_files.f90
......\drhoofv.f90
......\lderivps.f90
......\drho0ofvx.f90
......\ld1.f90
......\integrate_outward.f90
......\int_0_inf_dr.f90
......\read_pseudo_rrkj3.f90
......\calculate_gipaw_orbitals.f90
......\pseudo_q.f90
......\write_upf.f90
......\outward.f90
......\lschps.f90
......\start_scheq.f90
......\esic.f90
......\run_lda_half.f90
......\paw_type.f90
......\ascheqps_drv.f90
......\test_bessel.f90
......\ascheq.f90
......\elsdps_paw.f90
......\elsd.f90
......\run_pseudo.f90
......\set_rc_rv.f90
......\export_upf.f90
......\compute_phius.f90
......\write_resultsps.f90