[CP2K-user] [CP2K:13462] Can we obtain excited-states forces in TDDFPT using CP2K?

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

Hi

this functionality is not available in CP2K. There is work in progress
on this, but no immediate release anticipated.

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
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-----cp... at googlegroups.com wrote: -----
To: "cp2k" <cp... at googlegroups.com>
From: "Mohammad Shakiba" 
Sent by: cp... at googlegroups.com
Date: 06/04/2020 09:39PM
Subject: [CP2K:13462] Can we obtain excited-states forces in TDDFPT using CP2K?

Hello everyone,

My question is that is there a way to obtain the excited-states forces using CP2K?

Thank you so much.
  
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