jarvis.io.wannier.inputs

Class for writing Wannier90 input files.

Module Contents

Classes

Wannier90win

Class for writing wannier90.win.

class jarvis.io.wannier.inputs.Wannier90win(struct='', dis_num_iter=100, kmesh_tol=1e-09, dis_mix_ratio=0.5, num_iter=100, num_print_cycles=50, frozen_tol=2, efermi=None, soc=True, semi_core_states=None)[source]

Bases: object

Class for writing wannier90.win.

to_dict(self)[source]

Convert to a dictionary.

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

Convert class from a dictionary.

write_win(self, name='win.input')[source]

Write .win file.

write_hr_win(self, hr_tag='hr_plot', prev_win='wannier90.win', hr='hr_wannier.win', nbands=18, soc='')[source]

Write hr_plot or write_hr as .true.