[CP2K:9676] Unit of OMEGA in HFX shortrange potential?

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Nov 14 14:03:21 CET 2017


Hi

it is Bohr^(-1), or 1/a.u.

regards

Juerg Hutter
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: Tobias Binninger 
Sent by: cp... at googlegroups.com
Date: 11/14/2017 01:19PM
Subject: [CP2K:9676] Unit of OMEGA in HFX shortrange potential?

Hello,

does anybody know the unit of the OMEGA parameter for POTENTIAL_TYPE SHORTRANGE in             CP2K_INPUT /
               FORCE_EVAL /
               DFT /
               XC /
               HF /
               INTERACTION_POTENTIAL?

Best regards,
Tobias





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