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Variable cell optimization with external pressure
Date: 2017/01/10 11:20
Name: Le The Anh   <letheanh@jaist.ac.jp>

Dear OpenMX users and Ozaki-sensei,

Currently, I found that OpenMX 3.8 supports variable cell optimization.
According to the power point presentation here (http://t-ozaki.issp.u-tokyo.ac.jp/meeting16/OMX-Ozaki-2016Nov-7.pdf), we can do the variable cell optimization with external pressure.
However, I could not know how to include the external pressure into the input file. I read the tutorial but I did not find any information about this.
If you know how to include the external pressure into input file or in the code file, please guide me how to do.
I really appreciate your help.

Sincerely,

The Anh
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Re: Variable cell optimization with external pressure ( No.1 )
Date: 2017/03/02 10:24
Name: T. Ozaki

Hi,

The optimization of enthalpy will be supported in the next release of OpenMX.
Thank you for your understanding in advance.

Regards,

TO
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