[CP2K:8070] Question about kpoint calculation

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed Aug 17 17:05:22 CEST 2016


Hi

this Assertion was included to protect from a known bug.

The bug was recently fixed in the SVN version of CP2K.

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: Ziling Luo 
Sent by: cp... at googlegroups.com
Date: 08/17/2016 04:17PM
Subject: [CP2K:8070] Question about kpoint calculation

Hi, I am trying to do kpoint cell optimization calculation. But I always got CPASSERT failed. Anyone know how to solve this problem? Thanks!
 ******************************************************************************* *   ___                                                                       * *  /   \                                                                      * * [ABORT]                                                                     * *  \___/                             CPASSERT failed                          * *    |                                                                        * *  O/|                                                                        * * /| |                                                                        * * / \                                             qs_collocate_density.F:1829 * *******************************************************************************
Best,Ziling



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