fdfSileSiesta(filename, *args, **kwargs)

FDF-input file

outSileSiesta(filename, *args, **kwargs)

Output file from Siesta

xvSileSiesta(filename, *args, **kwargs)

Geometry file

bandsSileSiesta(filename, *args, **kwargs)

Bandstructure information

eigSileSiesta(filename, *args, **kwargs)

Eigenvalues as calculated in the SCF loop, easy plots using sdata

pdosSileSiesta(filename, *args, **kwargs)

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, *args, **kwargs)

Basis set information in xml format

ionncSileSiesta(filename[, mode, lvl, access])

Basis set information in NetCDF files

orbindxSileSiesta(filename, *args, **kwargs)

Orbital information file

faSileSiesta(filename, *args, **kwargs)

Forces file

fcSileSiesta(filename, *args, **kwargs)

Force constant file

kpSileSiesta(filename, *args, **kwargs)

k-points file in 1/Bohr units

rkpSileSiesta(filename, *args, **kwargs)

Special k-point file with units in reciprocal lattice vectors

structSileSiesta(filename, *args, **kwargs)

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