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[abinit-forum] phase transition


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  • From: walid firas <firas.walid@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] phase transition
  • Date: Tue, 24 Feb 2009 15:41:08 +0100
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dear users , hello
i m trying to determine the transition pressure , but i don't know how to do that with abinit
itried to vary the rprim but no phase transition was detected until now ,the phase transition is from a rhombohedral to rhombohedral structure which differs by angle
i want to know if there is a method which allow me to detect the phase transition without testing a lot of structures arbitrarily
regards



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