jarvis.io.wannier.inputs ======================== .. py:module:: jarvis.io.wannier.inputs .. autoapi-nested-parse:: Class for writing Wannier90 input files. Classes ------- .. autoapisummary:: jarvis.io.wannier.inputs.Wannier90win Module Contents --------------- .. py:class:: 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: :py:obj:`object` Class for writing wannier90.win. .. py:attribute:: struct :value: '' .. py:attribute:: efermi :value: None .. py:attribute:: soc :value: True .. py:attribute:: dis_num_iter :value: 100 .. py:attribute:: dis_mix_ratio :value: 0.5 .. py:attribute:: num_iter :value: 100 .. py:attribute:: num_print_cycles :value: 50 .. py:attribute:: frozen_tol :value: 2 .. py:attribute:: semi_core_states :value: None .. py:attribute:: kmesh_tol :value: 1e-09 .. py:method:: to_dict() Convert to a dictionary. .. py:method:: from_dict(d={}) :classmethod: Convert class from a dictionary. .. py:method:: write_win(name='win.input') Write .win file. .. py:method:: 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.