fermi energy setting problem #26
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TAEHYEON-PARK
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https://github.com/mailhexu/TB2J_examples/tree/master/Wannier/SrMnO3_VASP_Wannier
Currently, I am reproducing the above example.
When calculating J with the same input obtained using VASP+wannier90, using the value of 4.327, which was originally at getJ.sh, results well, but using 4.5075, a fermi enengy from VASP OUTPUT, results in very strange results.
Even if I change the input, the result changes depending on how the fermi energy is set regardless of the input data, so I want to know if you can explain this situation.
exchange(E_f=4.5075).txt
exchange(E_f=4.327).txt
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