Thanks for the helpful tutorial. But where is this Siesta pseudopotential
database you mention on it?
Regards,
Eric
2009/6/4 Zhong-Li Liu zl.liu.c...@gmail.com
Dear Andrei,
Thank you for your kind reply, and I shall have some tests
according your suggestion.
Best regards,
Zhongli
On
Dear Andrei,
You said in your SIESTA-tuto that the frozen phonon calculations usually
proceed after CG relaxation.
Dear Zhongli,
this is not obligatory, techniclly speaking, but any book on phonons
tells you how they are introduced from Taylor expansion arond
the equilibrium. So, this
Dear Andrei,
Thank you for your kind reply, and I shall have some tests
according your suggestion.
Best regards,
Zhongli
On 04/06/2009, apost...@uni-osnabrueck.de apost...@uni-osnabrueck.de wrote:
Dear Andrei,
You said in your SIESTA-tuto that the frozen phonon calculations usually
Dear Andrei,
Thank you for the nice presentation!
Nguyen, Ngoc Ha
Hanoi National University of Education
Faculty of Chemistry
Department of Physical Chemistry
Tel: Office: 04/8330842
Home: 04/7891674
Mobile: 0989133436
Dear Andrei:
Thank you very much for such a good introduction to SIESTA.
As usual, your contributions are of a great help. Thanks
on behalf of all the team...
Yours,
The SIESTA Team
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
Dear Siesta community,
a small document composed by
Hello,
Thanks for your article. It is very informative but could you give some
additional information on how to choose the k-point mesh?
--- On Wed, 6/3/09, apost...@uni-osnabrueck.de apost...@uni-osnabrueck.de
wrote:
From: apost...@uni-osnabrueck.de apost...@uni-osnabrueck.de
Subject:
http://www.home.uni-osnabrueck.de/apostnik/Lectures/SIESTA-tuto.pdf
Dear Andrei,
You said in your SIESTA-tuto that the frozen phonon calculations usually
proceed after CG relaxation. Is that means we should
first set MD.TypeOfRun CG to relax and then change it to MD.TypeOfRun FC
with
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