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Date: 2016/09/01 18:30
Dear OpenMX Developers,
I want to calculate the electronic band structure with the MBJLDA method (the Tran-Blaha method together with the modified Becke-Jognson semi-local exchange functional) using the OpenMX code.
Q1 : Is it included in the OpenMX code?
Q2 : If then, how can I use?
Could someone give an answer?
( No.1 )
Date: 2016/09/02 12:06
We have been developing the mBJ functional, and testing the code.
The release of the code will be sometime later.
Thank you for your understanding in advance.