[CP2K-user] [CP2K:12936] Periodic efield and stress tensor

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

Hi

because of insufficient testing and time I decided to disable
the feature. I don't have currently plans to revisit the problem.

regards

Juerg
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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: "Pierre-André Cazade" 
Sent by: cp... at googlegroups.com
Date: 02/28/2020 01:11PM
Subject: [CP2K:12936] Periodic efield and stress tensor

Dear CP2K developers,

The use of the stress tensor in presence of a periodic electric field is still disabled, yet when I check the file qs_efield_berry.F in the development version (8.0), it seems that all contributions are correctly added to the virial. Is it disabled until further testing or disabled because some contributions are still missing?

Regards,
Pierre  
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