文件名称:atomic
介绍说明--下载内容来自于网络,使用问题请自行百度
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/
atomic/compute_phi_tm.f90
atomic/write_cpmd.f90
atomic/find_qi.f90
atomic/kin_e_density.f90
atomic/ld1_setup.f90
atomic/set_sl3.f90
atomic/ascheqps.f90
atomic/lderiv.f90
atomic/make.depend
atomic/new_potential.f90
atomic/compute_chi_tm.f90
atomic/compute_potps.f90
atomic/write_results.f90
atomic/vxcgc.f90
atomic/elsd_highv.f90
atomic/dmixp.f90
atomic/parameters.f90
atomic/vext.f90
atomic/partial_wave_expansion.f90
atomic/compute_chi.f90
atomic/compute_relpert.f90
atomic/vpack.f90
atomic/scf.f90
atomic/ld1_readin.f90
atomic/dir_outward.f90
atomic/pseudovloc.f90
atomic/elsdps.f90
atomic/compute_potps_new.f90
atomic/dfx_new.f90
atomic/sic_correction.f90
atomic/write_paw_recon.f90
atomic/run_test.f90
atomic/trou.f90
atomic/read_pseudo_ncpp.f90
atomic/green.f90
atomic/inward.f90
atomic/normalize.f90
atomic/intref.f90
atomic/el_config.f90
atomic/starting_potential.f90
atomic/occ_spin.f90
atomic/dirsol.f90
atomic/cfdsol.f90
atomic/v_of_rho_at.f90
atomic/c6_dft.f90
atomic/compute_phi.f90
atomic/compute_q_3bess.f90
atomic/c6_tfvw.f90
atomic/add_exchange.f90
atomic/import_upf.f90
atomic/start_potps.f90
atomic/write_pseudo.f90
atomic/atomic_paw.f90
atomic/all_electron.f90
atomic/write_ae_pseudo.f90
atomic/Makefile
atomic/newd_at.f90
atomic/compute_solution.f90
atomic/set_rho_core.f90
atomic/descreening.f90
atomic/nodenum.f90
atomic/seriebes.f90
atomic/gener_pseudo.f90
atomic/vdpack.f90
atomic/dvex.f90
atomic/ld1inc.f90
atomic/integrate_inward.f90
atomic/chargeps.f90
atomic/ld1_writeout.f90
atomic/set_psi_in.f90
atomic/grad_log.f90
atomic/write_files.f90
atomic/drhoofv.f90
atomic/lderivps.f90
atomic/drho0ofvx.f90
atomic/ld1.f90
atomic/integrate_outward.f90
atomic/int_0_inf_dr.f90
atomic/read_pseudo_rrkj3.f90
atomic/calculate_gipaw_orbitals.f90
atomic/pseudo_q.f90
atomic/write_upf.f90
atomic/outward.f90
atomic/lschps.f90
atomic/start_scheq.f90
atomic/esic.f90
atomic/run_lda_half.f90
atomic/paw_type.f90
atomic/ascheqps_drv.f90
atomic/test_bessel.f90
atomic/ascheq.f90
atomic/elsdps_paw.f90
atomic/elsd.f90
atomic/run_pseudo.f90
atomic/set_rc_rv.f90
atomic/export_upf.f90
atomic/compute_phius.f90
atomic/write_resultsps.f90
atomic/compute_phi_tm.f90
atomic/write_cpmd.f90
atomic/find_qi.f90
atomic/kin_e_density.f90
atomic/ld1_setup.f90
atomic/set_sl3.f90
atomic/ascheqps.f90
atomic/lderiv.f90
atomic/make.depend
atomic/new_potential.f90
atomic/compute_chi_tm.f90
atomic/compute_potps.f90
atomic/write_results.f90
atomic/vxcgc.f90
atomic/elsd_highv.f90
atomic/dmixp.f90
atomic/parameters.f90
atomic/vext.f90
atomic/partial_wave_expansion.f90
atomic/compute_chi.f90
atomic/compute_relpert.f90
atomic/vpack.f90
atomic/scf.f90
atomic/ld1_readin.f90
atomic/dir_outward.f90
atomic/pseudovloc.f90
atomic/elsdps.f90
atomic/compute_potps_new.f90
atomic/dfx_new.f90
atomic/sic_correction.f90
atomic/write_paw_recon.f90
atomic/run_test.f90
atomic/trou.f90
atomic/read_pseudo_ncpp.f90
atomic/green.f90
atomic/inward.f90
atomic/normalize.f90
atomic/intref.f90
atomic/el_config.f90
atomic/starting_potential.f90
atomic/occ_spin.f90
atomic/dirsol.f90
atomic/cfdsol.f90
atomic/v_of_rho_at.f90
atomic/c6_dft.f90
atomic/compute_phi.f90
atomic/compute_q_3bess.f90
atomic/c6_tfvw.f90
atomic/add_exchange.f90
atomic/import_upf.f90
atomic/start_potps.f90
atomic/write_pseudo.f90
atomic/atomic_paw.f90
atomic/all_electron.f90
atomic/write_ae_pseudo.f90
atomic/Makefile
atomic/newd_at.f90
atomic/compute_solution.f90
atomic/set_rho_core.f90
atomic/descreening.f90
atomic/nodenum.f90
atomic/seriebes.f90
atomic/gener_pseudo.f90
atomic/vdpack.f90
atomic/dvex.f90
atomic/ld1inc.f90
atomic/integrate_inward.f90
atomic/chargeps.f90
atomic/ld1_writeout.f90
atomic/set_psi_in.f90
atomic/grad_log.f90
atomic/write_files.f90
atomic/drhoofv.f90
atomic/lderivps.f90
atomic/drho0ofvx.f90
atomic/ld1.f90
atomic/integrate_outward.f90
atomic/int_0_inf_dr.f90
atomic/read_pseudo_rrkj3.f90
atomic/calculate_gipaw_orbitals.f90
atomic/pseudo_q.f90
atomic/write_upf.f90
atomic/outward.f90
atomic/lschps.f90
atomic/start_scheq.f90
atomic/esic.f90
atomic/run_lda_half.f90
atomic/paw_type.f90
atomic/ascheqps_drv.f90
atomic/test_bessel.f90
atomic/ascheq.f90
atomic/elsdps_paw.f90
atomic/elsd.f90
atomic/run_pseudo.f90
atomic/set_rc_rv.f90
atomic/export_upf.f90
atomic/compute_phius.f90
atomic/write_resultsps.f90
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