[QE-users] Got Different fermi energy from qe as compared to published result (vasp)
Priya Shrivastava
priyashrivastava16 at gmail.com
Thu Jul 26 07:28:30 CEST 2018
Dear All,
I have got the similar profile for DOS but the fermi level is mismatched
from the published results. i dont know if my results are correct even
though the fermi energy i got from qe is around 3.456 eV and it seems that
published paper has fermi energy was around 0.4 eV ! What should i do to
get similar Ef? Please help. I used PAW potentials generated from qe code.
Is it something to do with DFT d3 as i read from earlier posts that it is
not tested (as i have used it in my calculations). I would really
appreciate any advice.
Regards,
Priya
IITB
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