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Re: [abinit-forum] phase transition


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  • From: <286603028@qq.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] phase transition
  • Date: Thu, 26 Feb 2009 01:49:27 +0100 (CET)

hi,
I recommend you to read three papers about phase transition:(1) Phases of
vanadium under pressure investigated from first principles.J. Phys.: Condens.
Matter 20 (2008) 275218.
(2) On the importance of the free energy for elasticity under pressure.J.
Phys.: Condens. Matter 14 (2002) L525–L528. (3) Comment on 'On the importance
of the free energy for elasticity under pressure'.Journal of Physics:Condensed
Matter.2004,16(47):8783-8786.
The three papers, especialy (2)&(3), have clear explanation of computation
procedures of phase transiton.
And if you think the computation of different angles is boring, just write
a
shell script to help you. That is very easy, i am sure you can make it.

regards
J J Wang




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