fermi_temp -temperature of the Fermi distribution
DESCRIPTION
The fermi_temp variable enters the expression used to compute
the occupation numbers of electronic states when empty states are included
in the calculation (nempty > 0). When the fermi
variable is set to ON, the occupation numbers are calculated from
the Kohn-Sham eigenvalues e(i) using the expression
n(i) = 1 / ( 1 + exp( ( e(i) - mu )/ (k * fermi_temp) )where the chemical potential mu is adjusted so as to conserve total electronic charge. The fermi_temp variable must be specified in Kelvin.
If the fermi variable is set to OFF, the value of fermi_temp is ignored.
DEFAULT VALUE
0
RELATED INFORMATION
related commands