calculator_utils

Full name: ase2sprkkr.asr.utils.calculator_utils

Description

Module contaning calculator utility functions.

The functions in this module basically only take a calculator as essential arguments. Additional, non-essential arguments are allowed.

Functions

fermi_level(calc[, eigenvalues, nelectrons, ...])

Get Fermi level at T=0 from calculation.

get_eigenvalues(calc)

Get eigenvalues from calculator.