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?
Thank you.
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Re: MBJLDA( No.1 )
Date: 2016/09/02 12:06
Name: T. Ozaki
Hi,
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.
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MBJLDA
Re: MBJLDA