[Pw_forum] DOS calculation, fermi energy in newer versions

Karim Elgammal egkarim at gmail.com
Mon Jan 2 14:35:51 CET 2017


Dears;
In DOS calculation, I am used the grep the reference fermi energy from the
SCF calculation not the NSCF calculation, but in the newer versions of QE,
the fermi energy value is printed in the outcome of dos.x as gripped from
the NSCF output file not the SCF outcome. Also, using a nice tool like VNL,
I find they use the fermi energy in the NSCF not the SCF as the reference
energy, while in previous posts here, the fermi energy should be the SCF
calculation one. So, shall I keep it by using the SCF fermi energy or I
should use the NSCF one?

-- 
Thank you and Best Regards;
Yours;
*Karim Elgammal*
*K​TH Royal Institute of Technology ​*
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