jarvis.io.wanniertools.inputs

Class for writing wt.in for wanniertools.

Classes

WTin	Construct wt.in object.

Module Contents

class jarvis.io.wanniertools.inputs.WTin(atoms=None, nelect=8, miller=[0, 0, 1], wannierout='wannier90.wout', wtin='wt.in', efermi=None, semi_core_states=None, soc=True, exclude=0, nwan=10)

Bases: object

Construct wt.in object.

atoms = None

nelect = 8

wannierout = 'wannier90.wout'

efermi = None

soc = True

exclude = 0

nwan = 10

wtin = 'wt.in'

miller = ''

semi_core_states = None

to_dict()

Convert the class to a dictionary.

classmethod from_dict(d={})

Construct class from a dictionary.

get_ibz_kp()

Get high-symmetry k-points.

semi_core_wt(string='')

Get emi-core states.

write_wt_in()

Write et.in.