jarvis.io.wannier.inputs

Class for writing Wannier90 input files.

Classes

Wannier90win

Class for writing wannier90.win.

Module Contents

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)

Bases: object

Class for writing wannier90.win.

struct = ''

efermi = None

soc = True

dis_num_iter = 100

dis_mix_ratio = 0.5

num_iter = 100

num_print_cycles = 50

frozen_tol = 2

semi_core_states = None

kmesh_tol = 1e-09

to_dict()

Convert to a dictionary.

classmethod from_dict(d={})

Convert class from a dictionary.

write_win(name='win.input')

Write .win file.

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

Write hr_plot or write_hr as .true.