Siesta

fdfSileSiesta(filename[, mode, comment])	FDF-input file
outSileSiesta(filename[, mode, comment])	Output file from Siesta
xvSileSiesta(filename[, mode, comment])	Geometry file
bandsSileSiesta(filename[, mode, comment])	Bandstructure information
eigSileSiesta(filename[, mode, comment])	Eigenvalues as calculated in the SCF loop, easy plots using sdata
pdosSileSiesta(filename[, mode, comment])	Projected DOS file with orbital information
gridSileSiesta(filename[, mode])	Binary real-space grid file
gridncSileSiesta(filename[, mode, lvl, access])	NetCDF real-space grid file
onlysSileSiesta(filename[, mode])	Geometry and overlap matrix
dmSileSiesta(filename[, mode])	Density matrix file
hsxSileSiesta(filename[, mode])	Hamiltonian and overlap matrix file
wfsxSileSiesta(filename[, mode])	Binary WFSX file reader for Siesta
ncSileSiesta(filename[, mode, lvl, access])	Generic NetCDF output file containing a large variety of information
ionxmlSileSiesta(filename[, mode, comment])	Basis set information in xml format
ionncSileSiesta(filename[, mode, lvl, access])	Basis set information in NetCDF files
orbindxSileSiesta(filename[, mode, comment])	Orbital information file
faSileSiesta(filename[, mode, comment])	Forces file
fcSileSiesta(filename[, mode, comment])	Force constant file
kpSileSiesta(filename[, mode, comment])	k-points file in 1/Bohr units
rkpSileSiesta(filename[, mode, comment])	Special k-point file with units in reciprocal lattice vectors
structSileSiesta(filename[, mode, comment])	Geometry file

TranSiesta

tshsSileSiesta(filename[, mode])	Geometry, Hamiltonian and overlap matrix file
tsdeSileSiesta(filename[, mode])	Non-equilibrium density matrix and energy density matrix file
tsgfSileSiesta(filename[, mode])	Surface Green function file containing, Hamiltonian, overlap matrix and self-energies
tsvncSileSiesta(filename[, mode, lvl, access])	TranSiesta potential input Grid file object

TBtrans

tbtncSileTBtrans(filename[, mode, lvl, access])	TBtrans output file object
deltancSileTBtrans(filename[, mode, lvl, access])	TBtrans \(\delta\) file object
tbtgfSileTBtrans(filename[, mode])	Surface Green function file containing, Hamiltonian, overlap matrix and self-energies
tbtsencSileTBtrans(filename[, mode, lvl, access])	TBtrans self-energy file object with downfolded self-energies to the device region
tbtavncSileTBtrans(filename[, mode, lvl, access])	TBtrans average file object
tbtprojncSileTBtrans(filename[, mode, lvl, ...])	TBtrans projection file object

TBtrans is per default a ballistic electron transport utility. It may also be compiled in a ballistic phonon transport mode, named PHtrans.

phtncSilePHtrans(filename[, mode, lvl, access])	PHtrans file object
phtsencSilePHtrans(filename[, mode, lvl, access])	PHtrans file object
phtavncSilePHtrans(filename[, mode, lvl, access])	PHtrans file object
phtprojncSilePHtrans(filename[, mode, lvl, ...])	PHtrans projection file object