Siesta

aniSileSiesta(filename, *args, **kwargs)
fdfSileSiesta(filename, *args, **kwargs)	FDF-input file
stdoutSileSiesta(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
timesSileSiesta(filename, *args, **kwargs)	Time information from the Siesta run

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