get_all_eigenvalues(self, spin=0)

return all the eigenvalues at all the kpoints for a spin.

get_cd = get_charge_density(self, spin=0)
get_charge_density(self, spin=0)

return x,y,z,charge density data

x,y,z are grids sampling the unit cell

cd is the charge density data

ChargeDensity(number_of_spin,
              hardgrid_dim3,
              hardgrid_dim2,
              hardgrid_dim1)
ChargeDensity:Description = "realspace charge density" ;
ChargeDensity:unit = "-e/A^3" ;

get_ef = get_fermi_level(self)
get_fermi_level(self)
return Fermi level

get_effective_potential(self, spin=1)
returns the realspace local effective potential for the spin.
the units of the potential are eV

:Parameters:

spin : integer
specify which spin you want, 0 or 1

get_eigenvalues(self, kpt=0, spin=0)
return the eigenvalues for a kpt and spin

:Parameters:

kpt : integer
index of the IBZ kpoint

spin : integer
which spin the eigenvalues are for


get_electronic_temperature = get_ft(self)

get_esp = get_electrostatic_potential(self, spin=0)

get_electrostatic_potential(self, spin=0)
get electrostatic potential

Netcdf documentation::

double ElectrostaticPotential(number_of_spin,
hardgrid_dim3,
hardgrid_dim2,
hardgrid_dim1) ;
ElectrostaticPotential:
Description = "realspace local effective potential" ;
unit = "eV" ;