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[abinit-forum] about supercell and MD


Chronological Thread 
  • From: Yuanliang Xie <xylnew@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] about supercell and MD
  • Date: Sun, 8 Mar 2009 20:51:24 +0800
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Dear all,
   I want to know if ABINIT able to do molecular dynamics  calculation  for  a very  big super cell  as other ab initio molecular dynamics codes. Moreover, how can I make a supercell in a single point energy calculation with ABINIT?
 Thanks.

Xie Yuanliang
SYIAE, Shenyang, China




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