sisl.io.siesta
fdfSileSiesta - input file outSileSiesta - output file xvSileSiesta - xyz and vxyz file bandsSileSiesta - band structure information eigSileSiesta - EIG file pdosSileSiesta - PDOS file gridSileSiesta - Grid charge information (binary) gridncSileSiesta - NetCDF grid output files (netcdf) onlysSileSiesta - Overlap matrix information dmSileSiesta - density matrix information hsxSileSiesta - Hamiltonian and overlap matrix information wfsxSileSiesta - wavefunctions ncSileSiesta - NetCDF output file ionxmlSileSiesta - Basis-information from the ion.xml files ionncSileSiesta - Basis-information from the ion.nc files orbindxSileSiesta - Basis set information (no geometry information) faSileSiesta - Forces on atoms fcSileSiesta - Force constant matrix kpSileSiesta - k-points from simulation rkpSileSiesta - k-points to simulation
tshsSileSiesta - TranSiesta Hamiltonian tsdeSileSiesta - TranSiesta (energy) density matrix tsgfSileSiesta - TranSiesta surface Green function files tsvncSileSiesta - TranSiesta specific Hartree potential file
sisl.io.tbtrans
tbtncSileTBtrans deltancSileTBtrans tbtgfSileTBtrans - TBtrans surface Green function files tbtsencSileTBtrans tbtavncSileTBtrans tbtprojncSileTBtrans
TBtrans is per default a ballistic electron transport utility. It may also be compiled in a ballistic phonon transport mode, named PHtrans.
phtncSilePHtrans phtsencSilePHtrans phtavncSilePHtrans phtprojncSilePHtrans
SileSiesta SileCDFSiesta SileBinSiesta SileTBtrans SileCDFTBtrans SileBinTBtrans