jarvis.tasks.qe.super

Module to run Tc calculation.

Module Contents

Classes

SuperCond

Module to calculate Tc.

Functions

calc_Tc(wlog=300, lamb=1.0, mu=0.1)

Calculate Tc.

parse_lambda(filename='lambda')

Parse lambda file.

very_clean()

Clean files.

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

Calculate Tc.

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

Parse lambda file.

jarvis.tasks.qe.super.very_clean()[source]

Clean files.

class jarvis.tasks.qe.super.SuperCond(atoms=None, kp=None, qp=None, qe_cmd='pw.x', relax_calc="'vc-relax'", pressure=None)[source]

Bases: object

Module to calculate Tc.

to_dict(self)[source]

Get dictionary.

classmethod from_dict(self, info={})[source]

Load from a dictionary.

runjob(self)[source]

Calculate Tc using QE.