文件名称:espresso-5.0.1.tar
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atomic of pwscf, a free-open procedure for the first principle calculations
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下载文件列表
espresso-5.0.1/
espresso-5.0.1/include/
espresso-5.0.1/include/c_defs.h.in
espresso-5.0.1/include/f_defs.h
espresso-5.0.1/include/fft_defs.h.in
espresso-5.0.1/include/opt_param.h
espresso-5.0.1/include/defs.h.README
espresso-5.0.1/clib/
espresso-5.0.1/clib/c_mkdir.c
espresso-5.0.1/clib/fftw.c
espresso-5.0.1/clib/md5.c
espresso-5.0.1/clib/Makefile
espresso-5.0.1/clib/cptimer.c
espresso-5.0.1/clib/konst.h
espresso-5.0.1/clib/fftw.h
espresso-5.0.1/clib/stack.c
espresso-5.0.1/clib/eval_infix.c
espresso-5.0.1/clib/memstat.c
espresso-5.0.1/clib/md5_from_file.c
espresso-5.0.1/clib/md5.h
espresso-5.0.1/clib/indici.c
espresso-5.0.1/clib/customize_signals.c
espresso-5.0.1/clib/make.depend
espresso-5.0.1/clib/fft_stick.c
espresso-5.0.1/clib/qsort.c
espresso-5.0.1/Modules/
espresso-5.0.1/Modules/open_close_input_file.f90
espresso-5.0.1/Modules/mp_wave.f90
espresso-5.0.1/Modules/ws_base.f90
espresso-5.0.1/Modules/run_info.f90
espresso-5.0.1/Modules/radial_grids.f90
espresso-5.0.1/Modules/read_namelists.f90
espresso-5.0.1/Modules/error_handler.f90
espresso-5.0.1/Modules/stick_base.f90
espresso-5.0.1/Modules/read_input.f90
espresso-5.0.1/Modules/electrons_base.f90
espresso-5.0.1/Modules/kind.f90
espresso-5.0.1/Modules/fft_parallel.f90
espresso-5.0.1/Modules/recvec.f90
espresso-5.0.1/Modules/descriptors.f90
espresso-5.0.1/Modules/control_flags.f90
espresso-5.0.1/Modules/wrappers.f90
espresso-5.0.1/Modules/mp_image_global_module.f90
espresso-5.0.1/Modules/plugin_flags.f90
espresso-5.0.1/Modules/recvec_subs.f90
espresso-5.0.1/Modules/stick_set.f90
espresso-5.0.1/Modules/mp_global.f90
espresso-5.0.1/Modules/wave_base.f90
espresso-5.0.1/Modules/read_cards.f90
espresso-5.0.1/Modules/input_parameters.f90
espresso-5.0.1/Modules/read_uspp.f90
espresso-5.0.1/Modules/fft_base.f90
espresso-5.0.1/Modules/check_stop.f90
espresso-5.0.1/Modules/constants.f90
espresso-5.0.1/Modules/parser.f90
espresso-5.0.1/Modules/fft_types.f90
espresso-5.0.1/Modules/mp_base.f90
espresso-5.0.1/Modules/parallel_include.f90
espresso-5.0.1/Modules/griddim.f90
espresso-5.0.1/Modules/Makefile
espresso-5.0.1/Modules/xml_input.f90
espresso-5.0.1/Modules/image_io_routines.f90
espresso-5.0.1/Modules/ptoolkit.f90
espresso-5.0.1/Modules/ions_base.f90
espresso-5.0.1/Modules/upf_to_internal.f90
espresso-5.0.1/Modules/dspev_drv.f90
espresso-5.0.1/Modules/basic_algebra_routines.f90
espresso-5.0.1/Modules/set_signal.f90
espresso-5.0.1/Modules/fft_scalar.f90
espresso-5.0.1/Modules/read_ncpp.f90
espresso-5.0.1/Modules/io_files.f90
espresso-5.0.1/Modules/bfgs_module.f90
espresso-5.0.1/Modules/wannier_new.f90
espresso-5.0.1/Modules/xml_io_base.f90
espresso-5.0.1/Modules/clocks.f90
espresso-5.0.1/Modules/coulomb_vcut.f90
espresso-5.0.1/Modules/zhpev_drv.f90
espresso-5.0.1/Modules/pseudo_types.f90
espresso-5.0.1/Modules/sic.f90
espresso-5.0.1/Modules/fft_custom.f90
espresso-5.0.1/Modules/xc_vdW_DF.f90
espresso-5.0.1/Modules/paw_variables.f90
espresso-5.0.1/Modules/read_upf_v1.f90
espresso-5.0.1/Modules/random_numbers.f90
espresso-5.0.1/Modules/splinelib.f90
espresso-5.0.1/Modules/plugin_arguments.f90
espresso-5.0.1/Modules/environment.f90
espresso-5.0.1/Modules/read_xml_cards.f90
espresso-5.0.1/Modules/fd_gradient.f90
espresso-5.0.1/Modules/read_upf_v2.f90
espresso-5.0.1/Modules/kernel_table.f90
espresso-5.0.1/Modules/parameters.f90
espresso-5.0.1/Modules/timestep.f90
espresso-5.0.1/Modules/read_xml.f90
espresso-5.0.1/Modules/constraints_module.f90
espresso-5.0.1/Modules/funct.f90
espresso-5.0.1/Modules/io_global.f90
espresso-5.0.1/Modules/make.depend
espresso-5.0.1/Modules/generate_function.f90
espresso-5.0.1/Modules/upf.f90
espresso-5.0.1/Modules/atom.f90
espresso-5.0.1/Modules/read_pseudo.f90
espresso-5.0.1/Modules/autopilot.f90
espresso-5.0.1/Modules/version.f90.in
espresso-5.0.1/Modules/mm_dispersion.f90
espresso-5.0.1/Modules/wavefunctions.f90
espresso-5.0.1/Modules/compute_dipole.f90
espresso-5.0.1/Modules/read_xml_fields.f90
espresso-5.0.1/Modules/cell_base.f90
espresso-5.0.1/Modules/mp.f90
espresso-5.0.1/Modules/uspp.f90
espresso-5.0.1/Modules/write_upf_v2.f90
espresso-5.0.1/Modules/fft_interfaces.f90
espresso-5.0.1/archive/
espresso-5.0.1/archive/lapack-3.2.tar.gz
espresso-5.0.1/archive/iotk-1.2.beta.tar.gz
espresso-5.0.1/archive/blas-1.tar.gz
espresso-5.0.1/archive/README
espresso-5.0.1/PlotPhon/
espresso-5.0.1/PlotPhon/Readme
espresso-5.0.1/PlotPhon/Examples/
espresso-5.0.1/PlotPhon/Examples/environment_variables
espresso-5.0.1/PlotPhon/Examples/Al_FCC/
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Al444.fc
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Plot_input
espresso-5.0.1/PlotPhon/Examples/Al_FCC/clean
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Plot_input
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/clean
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Fe_AFM.fc
espresso-5.0.1/PlotPhon/Examples/Al_SC/
espresso-5.0.1/PlotPhon/Examples/Al_SC/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Al_SC/Plot_input
espresso-5.0.1/PlotPhon/Examples/Al_SC/clean
e
espresso-5.0.1/include/
espresso-5.0.1/include/c_defs.h.in
espresso-5.0.1/include/f_defs.h
espresso-5.0.1/include/fft_defs.h.in
espresso-5.0.1/include/opt_param.h
espresso-5.0.1/include/defs.h.README
espresso-5.0.1/clib/
espresso-5.0.1/clib/c_mkdir.c
espresso-5.0.1/clib/fftw.c
espresso-5.0.1/clib/md5.c
espresso-5.0.1/clib/Makefile
espresso-5.0.1/clib/cptimer.c
espresso-5.0.1/clib/konst.h
espresso-5.0.1/clib/fftw.h
espresso-5.0.1/clib/stack.c
espresso-5.0.1/clib/eval_infix.c
espresso-5.0.1/clib/memstat.c
espresso-5.0.1/clib/md5_from_file.c
espresso-5.0.1/clib/md5.h
espresso-5.0.1/clib/indici.c
espresso-5.0.1/clib/customize_signals.c
espresso-5.0.1/clib/make.depend
espresso-5.0.1/clib/fft_stick.c
espresso-5.0.1/clib/qsort.c
espresso-5.0.1/Modules/
espresso-5.0.1/Modules/open_close_input_file.f90
espresso-5.0.1/Modules/mp_wave.f90
espresso-5.0.1/Modules/ws_base.f90
espresso-5.0.1/Modules/run_info.f90
espresso-5.0.1/Modules/radial_grids.f90
espresso-5.0.1/Modules/read_namelists.f90
espresso-5.0.1/Modules/error_handler.f90
espresso-5.0.1/Modules/stick_base.f90
espresso-5.0.1/Modules/read_input.f90
espresso-5.0.1/Modules/electrons_base.f90
espresso-5.0.1/Modules/kind.f90
espresso-5.0.1/Modules/fft_parallel.f90
espresso-5.0.1/Modules/recvec.f90
espresso-5.0.1/Modules/descriptors.f90
espresso-5.0.1/Modules/control_flags.f90
espresso-5.0.1/Modules/wrappers.f90
espresso-5.0.1/Modules/mp_image_global_module.f90
espresso-5.0.1/Modules/plugin_flags.f90
espresso-5.0.1/Modules/recvec_subs.f90
espresso-5.0.1/Modules/stick_set.f90
espresso-5.0.1/Modules/mp_global.f90
espresso-5.0.1/Modules/wave_base.f90
espresso-5.0.1/Modules/read_cards.f90
espresso-5.0.1/Modules/input_parameters.f90
espresso-5.0.1/Modules/read_uspp.f90
espresso-5.0.1/Modules/fft_base.f90
espresso-5.0.1/Modules/check_stop.f90
espresso-5.0.1/Modules/constants.f90
espresso-5.0.1/Modules/parser.f90
espresso-5.0.1/Modules/fft_types.f90
espresso-5.0.1/Modules/mp_base.f90
espresso-5.0.1/Modules/parallel_include.f90
espresso-5.0.1/Modules/griddim.f90
espresso-5.0.1/Modules/Makefile
espresso-5.0.1/Modules/xml_input.f90
espresso-5.0.1/Modules/image_io_routines.f90
espresso-5.0.1/Modules/ptoolkit.f90
espresso-5.0.1/Modules/ions_base.f90
espresso-5.0.1/Modules/upf_to_internal.f90
espresso-5.0.1/Modules/dspev_drv.f90
espresso-5.0.1/Modules/basic_algebra_routines.f90
espresso-5.0.1/Modules/set_signal.f90
espresso-5.0.1/Modules/fft_scalar.f90
espresso-5.0.1/Modules/read_ncpp.f90
espresso-5.0.1/Modules/io_files.f90
espresso-5.0.1/Modules/bfgs_module.f90
espresso-5.0.1/Modules/wannier_new.f90
espresso-5.0.1/Modules/xml_io_base.f90
espresso-5.0.1/Modules/clocks.f90
espresso-5.0.1/Modules/coulomb_vcut.f90
espresso-5.0.1/Modules/zhpev_drv.f90
espresso-5.0.1/Modules/pseudo_types.f90
espresso-5.0.1/Modules/sic.f90
espresso-5.0.1/Modules/fft_custom.f90
espresso-5.0.1/Modules/xc_vdW_DF.f90
espresso-5.0.1/Modules/paw_variables.f90
espresso-5.0.1/Modules/read_upf_v1.f90
espresso-5.0.1/Modules/random_numbers.f90
espresso-5.0.1/Modules/splinelib.f90
espresso-5.0.1/Modules/plugin_arguments.f90
espresso-5.0.1/Modules/environment.f90
espresso-5.0.1/Modules/read_xml_cards.f90
espresso-5.0.1/Modules/fd_gradient.f90
espresso-5.0.1/Modules/read_upf_v2.f90
espresso-5.0.1/Modules/kernel_table.f90
espresso-5.0.1/Modules/parameters.f90
espresso-5.0.1/Modules/timestep.f90
espresso-5.0.1/Modules/read_xml.f90
espresso-5.0.1/Modules/constraints_module.f90
espresso-5.0.1/Modules/funct.f90
espresso-5.0.1/Modules/io_global.f90
espresso-5.0.1/Modules/make.depend
espresso-5.0.1/Modules/generate_function.f90
espresso-5.0.1/Modules/upf.f90
espresso-5.0.1/Modules/atom.f90
espresso-5.0.1/Modules/read_pseudo.f90
espresso-5.0.1/Modules/autopilot.f90
espresso-5.0.1/Modules/version.f90.in
espresso-5.0.1/Modules/mm_dispersion.f90
espresso-5.0.1/Modules/wavefunctions.f90
espresso-5.0.1/Modules/compute_dipole.f90
espresso-5.0.1/Modules/read_xml_fields.f90
espresso-5.0.1/Modules/cell_base.f90
espresso-5.0.1/Modules/mp.f90
espresso-5.0.1/Modules/uspp.f90
espresso-5.0.1/Modules/write_upf_v2.f90
espresso-5.0.1/Modules/fft_interfaces.f90
espresso-5.0.1/archive/
espresso-5.0.1/archive/lapack-3.2.tar.gz
espresso-5.0.1/archive/iotk-1.2.beta.tar.gz
espresso-5.0.1/archive/blas-1.tar.gz
espresso-5.0.1/archive/README
espresso-5.0.1/PlotPhon/
espresso-5.0.1/PlotPhon/Readme
espresso-5.0.1/PlotPhon/Examples/
espresso-5.0.1/PlotPhon/Examples/environment_variables
espresso-5.0.1/PlotPhon/Examples/Al_FCC/
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Al444.fc
espresso-5.0.1/PlotPhon/Examples/Al_FCC/Plot_input
espresso-5.0.1/PlotPhon/Examples/Al_FCC/clean
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Plot_input
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/clean
espresso-5.0.1/PlotPhon/Examples/Fe_AFM/Fe_AFM.fc
espresso-5.0.1/PlotPhon/Examples/Al_SC/
espresso-5.0.1/PlotPhon/Examples/Al_SC/Run_Plot_phonons
espresso-5.0.1/PlotPhon/Examples/Al_SC/Plot_input
espresso-5.0.1/PlotPhon/Examples/Al_SC/clean
e
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