eph.rst

:mod:`eph` --- First order electron phonon coupling matrix

.. module:: eph

The :mod:`eph` module implements first order electron phonon coupling matrix by Coupled Perturbed Self Consistent Field (CPSCF) and finite difference.

Program reference

.. automodule:: pyscf.eph

Finite difference

.. automodule:: pyscf.eph.eph_fd
   :members:

Analytical RHF

.. automodule:: pyscf.eph.rhf
   :members:

Analytical RHF

.. automodule:: pyscf.eph.uhf
    :members:

Analytical RKS

.. automodule:: pyscf.eph.rks
    :members:

Analytical UKS

.. automodule:: pyscf.eph.uks
    :members: