[Pw_forum] a2F calculation
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Oct 27 22:48:17 CEST 2010
Hi,
Definitely, a2Fdos! The first column is \omega, the second one is total a2Fdos,
others are mode-projected a2Fdos.
Please, provide your affiliation when post a question to the forum.
Bests,
Eyvaz.
-------------------------------------------------------------------
Prof. Eyvaz Isaev,
Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
Sweden
Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
Russia,
isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
________________________________
From: HASAN SAHİN <hasanx at gmail.com>
To: pw_forum at pwscf.org
Sent: Wed, October 27, 2010 10:16:15 PM
Subject: [Pw_forum] a2F calculation
Hi,
I have ben trying to calculate spectral function a2F with respect to phonon
frequency cm-1.
At the end of my calculation I get the files:
dyna2F, a2Fdos, a2Fq2r
I see that they contain some column data. Which one of these files does contain
the information of a2F-frequency ?
Hasan Sahin
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