[Pw_forum] [Fwd: help]
David Prendergast
davegp at civet.berkeley.edu
Mon Apr 10 21:34:58 CEST 2006
-------- Original Message --------
Subject: help
Date: Tue, 11 Apr 2006 00:59:38 +0530 (IST)
From: Heydar Ali Shafiei Gol <shafiei at physics.unipune.ernet.in>
To: davegp at civet.berkeley.edu
Dear Sir
Iam Ph.D student in pune university ,India .I work with PWSCF code and
want to use of MD (for the ground of state clusters) .Now, after
several months that I want to start the most important my job ,I have a
problem , what are options for :
a-Inital temperature
b-final temperature
c-increasing temperature between a and b
Since ,there are not anybody in here that work with it ,please help me .
I would appreciate receiving any information you about it .
Thank you so much for your time
shafiei
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David Prendergast
University of California, Berkeley phone: (510) 642-2635
Department of Physics fax: (510) 643-9473
366 LeConte Hall #7300 email: davegp at civet.berkeley.edu
Berkeley, CA 94720-7300 web: http://civet.berkeley.edu/~davegp
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