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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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