Variable cell optimization with external pressure|
- Date: 2017/01/10 11:20
- Name: Le The Anh
- 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.