inelastica:基于SIESTATranSIESTA DFT的本征通道，振动和非弹性电子传输的Python软件包
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2021-05-08
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inelastica:基于SIESTATranSIESTA DFT的本征通道，振动和非弹性电子传输的Python软件包 （647个子文件） 
Electrons.agr 298KB Electrons.agr 298KB Electrons.agr 298KB Electrons.agr 249KB Electrons.agr 249KB Electrons.agr 249KB Phonons.agr 100KB Phonons.agr 100KB Phonons.agr 100KB Electrons.agr 69KB Electrons.agr 69KB Electrons.agr 69KB PhononBands.agr 63KB BandStruct.agr 60KB Phonons.agr 50KB Phonons.agr 50KB Phonons.agr 50KB Phonons.agr 42KB Phonons.agr 42KB Phonons.agr 42KB PhononBands.agr 33KB PhononBands.agr 24KB agr2pdf 441B average-gridfunc 2KB bands2xmgr 8KB Bandstructures 294B compile.bat 270B compile_alternative.bat 235B FermiSurface.BXSF 542KB ComputeDOS 1KB ebands.dat 164KB ebands.dat 164KB ebands.dat 164KB ebands.dat 138KB ebands.dat 138KB ebands.dat 138KB phbands.dat 56KB phbands.dat 56KB phbands.dat 56KB ebands.dat 39KB ebands.dat 39KB ebands.dat 39KB phbands.dat 29KB phbands.dat 29KB phbands.dat 29KB phbands.dat 24KB phbands.dat 24KB phbands.dat 24KB 110-000.dat 10KB 100-110.dat 10KB 000-100.dat 8KB 000-111.dat 5KB 100-110.dat 4KB 110-000.dat 4KB 100-110.dat 4KB 110-000.dat 4KB 000-100.dat 4KB 000-100.dat 4KB 111-000.dat 4KB 000-100.dat 4KB 000-111.dat 2KB 000-111.dat 2KB 000-110.dat 2KB Electrode.DM 65KB epilog.dummy 842B EigenChannels 291B PhononBands.eps 48KB BandStruct.eps 48KB PhononBands.eps 31KB PhononBands.eps 25KB readTSHS.f90 13KB surfaceGreen.f90 5KB expansion_SE.f90 3KB removeUnitCellXij.f90 2KB setkpointhelper.f90 2KB STRUCT_5.fdf 45KB STRUCT_2.fdf 45KB STRUCT_3.fdf 45KB STRUCT_4.fdf 45KB STRUCT_1.fdf 45KB STRUCT_6.fdf 45KB STRUCT_3.fdf 36KB STRUCT_5.fdf 36KB STRUCT_2.fdf 36KB STRUCT_1.fdf 36KB STRUCT_6.fdf 36KB STRUCT_4.fdf 36KB STRUCT_3.fdf 23KB STRUCT_6.fdf 23KB STRUCT_1.fdf 23KB STRUCT_5.fdf 23KB STRUCT_2.fdf 23KB STRUCT_4.fdf 23KB out.fdf 17KB out.fdf 17KB out.fdf 15KB out.fdf 15KB STRUCT.fdf 13KB STRUCT.fdf 13KB STRUCT.fdf 13KB共 647 条
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