10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-09 07:33:49 +01:00
QuantumPackage/docs/source/programs/print_wf.rst

42 lines
683 B
ReStructuredText

.. _print_wf:
.. program:: print_wf
========
print_wf
========
Print the ground state wave function stored in the |EZFIO| directory
in the intermediate normalization.
It also prints a lot of information regarding the excitation
operators from the reference determinant ! and a first-order
perturbative analysis of the wave function.
If the wave function strongly deviates from the first-order analysis,
something funny is going on :)
Needs:
.. hlist::
:columns: 3
* :c:data:`read_wf`
Calls:
.. hlist::
:columns: 3
* :c:func:`routine`
Touches:
.. hlist::
:columns: 3
* :c:data:`read_wf`