Hello everyone,
I saw that DFT-1/2 method can improve electronic properties (with some
caveat) without increasing computational cost with respect to ordinary
DFT. For VASP, there are programs available that can prepare the POTCAR
for DFT-1/2 calculation. My question is does QE also have some program
to modify the pseduopotential to run a DFT-1/2 calculation? In general I
am interested on how to proceed with QE for DFT-1/2 calculation. I
haven't found any material on this such as hands-on tutorial/sections in
the QE schools. Any direction is greatly appreciated.
Sincerely,
Abdul Muhaymin
Graduate student, Institute of Material Science and Nanotechnology,
Bilkent University.
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