[CP2K-user] [CP2K:16367] How can I found a example for BSE calculations?

hutter at chem.uzh.ch hutter at chem.uzh.ch
Mon Dec 13 11:22:20 UTC 2021


Hi

BSE calculations are not available in CP2K.

regards

Juerg Hutter
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Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie                E-mail: hutter at chem.uzh.ch 
Universität Zürich                  
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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-----cp2k at googlegroups.com wrote: -----
To: "cp2k" <cp2k at googlegroups.com>
From: "dylan chen" 
Sent by: cp2k at googlegroups.com
Date: 12/13/2021 09:50AM
Subject: [CP2K:16365] How can I found a example for BSE calculations?

Dear CP2K developers and users,

Is the Bethe-Salpeter equation (BSE) is available in CP2K-8.2? I want to use GW-BSE calculations in CP2K. However, only GW examples could be found in CP2K tests/. No BSE calculation file is available.

Could anyone provide some examples or suggestions for BSE calculations?

Any suggestions will be appreciated.

Best,
Dylan
  
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