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[abinit-forum] Requesting For qpts

From: kondaiah samudrala <konda.physics@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] Requesting For qpts
Date: Thu, 8 Apr 2010 12:17:38 +0530
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Dear all,

I am searching for generating qpts for calculating phonon dispersion for CoN,in the tutorial it gives like this

Examine these files, then run this calculation (it is very rapid - it won't hurt the trf2_1 job). The following k point set is obtained :

       kpt    0.00000000E+00  0.00000000E+00  0.00000000E+00
              2.50000000E-01  0.00000000E+00  0.00000000E+00
              5.00000000E-01  0.00000000E+00  0.00000000E+00
              2.50000000E-01  2.50000000E-01  0.00000000E+00

              5.00000000E-01  2.50000000E-01  0.00000000E+00
             -2.50000000E-01  2.50000000E-01  0.00000000E+00
              5.00000000E-01  5.00000000E-01  0.00000000E+00
             -2.50000000E-01  5.00000000E-01  2.50000000E-01

It is, as promised, the same as the q point set in the trf2_1.in file.

where i find the kpt in the output file

Thank you to all

with regards
S.Appalakondaiah

[abinit-forum] Requesting For qpts, kondaiah samudrala, 04/08/2010
- Re: [abinit-forum] Requesting For qpts, Erkan Tetik, 04/09/2010