dos

A example of calculating and plotting the pdos from the nscf calculation.

from xespresso.post.dos import EspressoDos
# dos
dos = EspressoDos(parent_directory = 'calculations/scf/co',
            prefix = calc.prefix,
            Emin = fe - 30, Emax = fe + 30, DeltaE = 0.01)
dos.run()
../_images/co-dos.png

List of all Methods

class xespresso.post.dos.EspressoDos(parent_directory, prefix, queue=False, parallel='', **kwargs)[source]

_summary_

Parameters:

PostCalculation (_type_) – _description_