MBJ Band Structure Calculation
Posted: Fri May 27, 2016 11:52 pm
Hi,
I was trying to do some band structure calculation with MBJ functional. However the band structure looks very weird compared to that we see in PBE or LDA calculation. Can anyone give me a sample INCAR file for MBJ band gap and band structure calculation.
Best,
Debmalya Ray
I was trying to do some band structure calculation with MBJ functional. However the band structure looks very weird compared to that we see in PBE or LDA calculation. Can anyone give me a sample INCAR file for MBJ band gap and band structure calculation.
Best,
Debmalya Ray