aiida_vasp.calcs.vasp2w90

VASP to Wannier90 calculation.

VASP2Wannier90 - Calculation.

Module Contents

Classes

Vasp2w90Calculation

General purpose Calculation for using vasp with the vasp2wannier90 interface.

API

class aiida_vasp.calcs.vasp2w90.Vasp2w90Calculation(*args, **kwargs)

Bases: aiida_vasp.calcs.vasp.VaspCalculation

General purpose Calculation for using vasp with the vasp2wannier90 interface.

Initialization

Construct a CalcJob instance.

Construct the instance only if it is a sub class of CalcJob, otherwise raise InvalidOperation.

See documentation of aiida.engine.Process.

_default_parser = 'vasp.vasp2w90'

classmethod define(spec: Any) → None

abstract prepare_for_submission(folder: Any) → None

Override the method such that we can add the flag that executes Wannier90 in library mode.

abstract write_win(dst: Any) → None

Write Wannier90 input.

static new_wannier_parameters(**kwargs: Any) → Any

write_additional(folder: Any, calcinfo: Any) → None