mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-11-07 14:43:41 +01:00
18 lines
304 B
ReStructuredText
18 lines
304 B
ReStructuredText
|
===============
|
||
|
|
CHAMP Interface
|
||
|
|
===============
|
||
|
|
|
||
|
|
Interface from Quantum Package to
|
||
|
|
[CHAMP](https://www.utwente.nl/en/tnw/ccp/research/CHAMP.html).
|
||
|
|
|
||
|
|
|
||
|
|
For multi-state calculations, to extract state 2 use:
|
||
|
|
|
||
|
|
.. code-block:: bash
|
||
|
|
|
||
|
|
QP_STATE=2 qp_run save_for_champ x.ezfio
|
||
|
|
|
||
|
|
(state 1 is the ground state).
|
||
|
|
|
||
|
|
|