[CP2K:5837] Oscillator Strength in CP2K output

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Nov 11 09:02:28 UTC 2014


it is not implemented (oscillator strength in TDDFT).


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

-----cp... at googlegroups.com wrote: -----To: cp... at googlegroups.com
From: Pralok K Samanta 
Sent by: cp... at googlegroups.com
Date: 11/11/2014 09:46AM
Subject: [CP2K:5837] Oscillator Strength in CP2K output

Dear All,
        Could you please tell me how to get oscillator strength using CP2K? I can see transition energy in my CP2K outfile. But I am not able to get the corresponding oscillator strength.

Thank you very much in advance,

Dr. Pralok K Samanta
King Abdullah University of Science and Technology
Kingdom of Saudi Arabia


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