:py:mod:`aiida_vasp.utils.ldau`
===============================

.. py:module:: aiida_vasp.utils.ldau

.. autodoc2-docstring:: aiida_vasp.utils.ldau
   :allowtitles:

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

Functions
~~~~~~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`get_ldau_keys <aiida_vasp.utils.ldau.get_ldau_keys>`
     - .. autodoc2-docstring:: aiida_vasp.utils.ldau.get_ldau_keys
          :summary:

Data
~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`FELEMS <aiida_vasp.utils.ldau.FELEMS>`
     - .. autodoc2-docstring:: aiida_vasp.utils.ldau.FELEMS
          :summary:

API
~~~

.. py:data:: FELEMS
   :canonical: aiida_vasp.utils.ldau.FELEMS
   :value: ['La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Ac', 'Th...

   .. autodoc2-docstring:: aiida_vasp.utils.ldau.FELEMS

.. py:function:: get_ldau_keys(structure: aiida.orm.StructureData, mapping: dict[str, list[int | float | str]], utype: int = 2, jmapping: dict[str, list[int | float | str]] | None = None, felec: bool = False) -> dict[str, str | float]
   :canonical: aiida_vasp.utils.ldau.get_ldau_keys

   .. autodoc2-docstring:: aiida_vasp.utils.ldau.get_ldau_keys