jarvis.tasks.qe.super

Module to run Tc calculation.

Module Contents

Classes

SuperCond

Module to calculate Tc.

Functions

calc_Tc([wlog, lamb, mu])	Calculate Tc.
parse_lambda([filename])	Parse lambda file.
non_prime_kpoints([kpts])	Get non prime kpoints.
very_clean()	Clean files.

jarvis.tasks.qe.super.calc_Tc(wlog=300, lamb=1.0, mu=0.1)

Calculate Tc.

jarvis.tasks.qe.super.parse_lambda(filename='lambda')

Parse lambda file.

jarvis.tasks.qe.super.non_prime_kpoints(kpts=[])

Get non prime kpoints.

jarvis.tasks.qe.super.very_clean()

Clean files.

class jarvis.tasks.qe.super.SuperCond(atoms=None, kp=None, qp=None, qe_cmd='pw.x', relax_calc="'vc-relax'", pressure=None, psp_dir=None, url=None, psp_temp_name=None, clean_files=True)

Bases: object

Module to calculate Tc.

to_dict()

Get dictionary.

classmethod from_dict(info={})

Load from a dictionary.

runjob()

Calculate Tc using QE.