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Re: about the variable cell relaxing calculation in ab-initio code

From: "Chaohao Hu" <chaohao.mse@gmail.com>
To: forum@abinit.org
Subject: Re: about the variable cell relaxing calculation in ab-initio code
Date: Mon, 15 Oct 2007 13:13:04 +0200
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Please forgive me due to my stupid question. I have checked the optcell flag in the help files of ab-initio code. It can do vc-relax calculation!

On 10/15/07, Chaohao Hu <chaohao.mse@gmail.com> wrote:

Dear ab-initio users,

I am a new user of ab-initio code. Now I wonder whether the variable cell relaxing calculation (vc-relax) can be considered in this code. As far as I know, the vc-relax calculation had been implemented in the PWSCF code.

about the variable cell relaxing calculation in ab-initio code, Chaohao Hu, 10/15/2007
- Re: about the variable cell relaxing calculation in ab-initio code, Chaohao Hu, 10/15/2007