pdos

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

from xespresso.post.dos import EspressoDos
# pdos
from xespresso.post.projwfc import EspressoProjwfc
projwfc = EspressoProjwfc(parent_directory = 'calculations/scf/co',
            prefix = 'co',
            DeltaE = 0.01)
projwfc.run()
../_images/co-pdos.png

List of all Methods

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