[CP2K:7790] Geo_opt

[hut... at chem.uzh.ch]

Hi

have a look in

../tests/SE/regtest-3-2/Periclase.inp

and the TOPOLOGY section in the manual.

regards

Juerg
--------------------------------------------------------------
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
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-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: celio angel 
Sent by: cp... at googlegroups.com
Date: 05/26/2016 01:59AM
Subject: [CP2K:7790] Geo_opt

Dear,all users of CP2K code.it's possible to change the file .xyz containing the parametre of cell the others extansion like .cif. cordially



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