1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-23 04:43:38 +01:00
qp_plugins_scemama/devel/qmcchem/README.rst

13 lines
183 B
ReStructuredText
Raw Normal View History

2019-07-23 15:12:25 +02:00
==============
QmcChem Module
==============
For multi-state calculations, to extract state 2 use:
``
QP_STATE=2 qp_run save_for_qmcchem x.ezfio
``
(state 1 is the ground state).