jarvis.io.boltztrap.inputs
==========================

.. py:module:: jarvis.io.boltztrap.inputs

.. autoapi-nested-parse::

   Class for writing inputs for BoltzTrap calculations.



Attributes
----------

.. autoapisummary::

   jarvis.io.boltztrap.inputs.Ry_to_ev
   jarvis.io.boltztrap.inputs.Angs_to_Bohr


Classes
-------

.. autoapisummary::

   jarvis.io.boltztrap.inputs.WriteInputs


Module Contents
---------------

.. py:data:: Ry_to_ev
   :value: 13.6056980659


.. py:data:: Angs_to_Bohr
   :value: 1.88973


.. py:class:: WriteInputs(vasprun_path='', dos_type='HISTO', tmax=1300, tgrid=50, doping=[], run_type='BOLTZ', symprec=0.01, energy_grid=0.005, lpfac=10, energy_span_around_fermi=1.5, energy=None, struct=None, intrans=None)

   Bases: :py:obj:`object`


   Write input files for BoltzTrap.


   .. py:attribute:: energy
      :value: None



   .. py:attribute:: struct
      :value: None



   .. py:attribute:: intrans
      :value: None



   .. py:attribute:: vasprun_path
      :value: ''



   .. py:attribute:: vrun


   .. py:attribute:: energy_grid
      :value: 0.005



   .. py:attribute:: lpfac
      :value: 10



   .. py:attribute:: run_type
      :value: 'BOLTZ'



   .. py:attribute:: energy_span_around_fermi
      :value: 1.5



   .. py:attribute:: tmax
      :value: 1300



   .. py:attribute:: tgrid
      :value: 50



   .. py:attribute:: dos_type
      :value: 'HISTO'



   .. py:attribute:: doping
      :value: []



   .. py:method:: write_intrans(filename='boltztrap.intrans')

      Write BoltzTrap input intrans file.



   .. py:method:: write_struct(filename='boltztrap.struct')

      Write BoltzTrap based struct file.



   .. py:method:: write_energy(filename='boltztrap.energyso', trim=0.1)

      Write energy information from DFT.