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- 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
- [abinit-forum] about supercell and MD, Yuanliang Xie, 03/08/2009
- Re: [abinit-forum] about supercell and MD, Nuno Jorge Lopes Galamba, 03/08/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- RE: [abinit-forum] about supercell and MD, DORADO Boris Thésard, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Nuno Galamba, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- Re: [abinit-forum] about supercell and MD, matthieu verstraete, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Nuno Galamba, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- Re: [abinit-forum] about supercell and MD, matthieu verstraete, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- RE: [abinit-forum] about supercell and MD, DORADO Boris Thésard, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Yuanliang Xie, 03/09/2009
- Re: [abinit-forum] about supercell and MD, Nuno Jorge Lopes Galamba, 03/08/2009
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