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


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


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