aiida_yambo.utils.defaults.create_defaults

default input creation

Module Contents

Functions

periodical(structure)
create_quantumespresso_inputs(structure[, bands_gw, ...])	with open('./scf_qe_default.json','r') as file:

Attributes

scf
nscf
periodic_table

aiida_yambo.utils.defaults.create_defaults.scf

aiida_yambo.utils.defaults.create_defaults.nscf

aiida_yambo.utils.defaults.create_defaults.periodic_table

aiida_yambo.utils.defaults.create_defaults.periodical(structure)

aiida_yambo.utils.defaults.create_defaults.create_quantumespresso_inputs(structure, bands_gw=None, spin_orbit=False, what=['scf', 'nscf'])

with open(‘./scf_qe_default.json’,’r’) as file:

scf = json.load(file)

with open(‘./nscf_qe_default.json’,’r’) as file:

nscf = json.load(file)