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Re: Re: [abinit-forum] getcell is valid in response-function calculations ??

From: Wei-Bing Zhang <zwb256@hotmail.com>
To: forum@abinit.org, xavier.gonze@uclouvain.be
Subject: Re: Re: [abinit-forum] getcell is valid in response-function calculations ??
Date: Fri, 4 Apr 2008 14:24:20 +0200

Dear xavier:
Thanks for your reply. I have performed RF calculation using fixed
acell
which is obtained in a separate optimization calculation. The results become
more reasonable although there are still different with experimental results
under a larger error. The elastic constant seems to depend the equilibrium
volume strongly. what other parameters should be tested If I want to get a
accurate elastic constant ? Thanks!
Wei-Bing Zhang
zwb256@xtu.edu.cn

[abinit-forum] getcell is valid in response-function calculations ??, Wei-Bing Zhang, 04/04/2008
- Re: [abinit-forum] getcell is valid in response-function calculations ??, Xavier Gonze, 04/04/2008
  - Re: Re: [abinit-forum] getcell is valid in response-function calculations ??, Wei-Bing Zhang, 04/04/2008