jarvis.tasks.qe.super¶

Module to run Tc calculation.

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.

Module Contents¶

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.non_prime_kpoints(kpts=[])[source]¶: Get non prime kpoints.

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, psp_dir=None, url=None, psp_temp_name=None, clean_files=True)[source]¶

Bases: object

Module to calculate Tc.

atoms = None¶

kp = None¶

qp = None¶

relax_calc = "'vc-relax'"¶

qe_cmd = 'pw.x'¶

psp_dir = None¶

url = None¶

pressure = None¶

psp_temp_name = None¶

clean_files = True¶

to_dict()[source]¶: Get dictionary.

classmethod from_dict(info={})[source]¶: Load from a dictionary.

runjob()[source]¶: Calculate Tc using QE.