jarvis.tasks.qe.super ===================== .. py:module:: jarvis.tasks.qe.super .. autoapi-nested-parse:: Module to run Tc calculation. Classes ------- .. autoapisummary:: jarvis.tasks.qe.super.SuperCond Functions --------- .. autoapisummary:: jarvis.tasks.qe.super.calc_Tc jarvis.tasks.qe.super.parse_lambda jarvis.tasks.qe.super.non_prime_kpoints jarvis.tasks.qe.super.very_clean Module Contents --------------- .. py:function:: calc_Tc(wlog=300, lamb=1.0, mu=0.1) Calculate Tc. .. py:function:: parse_lambda(filename='lambda') Parse lambda file. .. py:function:: non_prime_kpoints(kpts=[]) Get non prime kpoints. .. py:function:: very_clean() Clean files. .. py:class:: 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: :py:obj:`object` Module to calculate Tc. .. py:attribute:: atoms :value: None .. py:attribute:: kp :value: None .. py:attribute:: qp :value: None .. py:attribute:: relax_calc :value: "'vc-relax'" .. py:attribute:: qe_cmd :value: 'pw.x' .. py:attribute:: psp_dir :value: None .. py:attribute:: url :value: None .. py:attribute:: pressure :value: None .. py:attribute:: psp_temp_name :value: None .. py:attribute:: clean_files :value: True .. py:method:: to_dict() Get dictionary. .. py:method:: from_dict(info={}) :classmethod: Load from a dictionary. .. py:method:: runjob() Calculate Tc using QE.