Fermi energy from NSCF calcuations

Total energy, geometry optimization, DFT+U, spin....

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wlyim
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Joined: Wed Jul 20, 2011 6:46 am

Fermi energy from NSCF calcuations

Post by wlyim » Wed Jul 20, 2011 6:50 am

Dear Sir/Madam,

May I ask how I can get the Fermi energy from the NSCF calculations?

I found that the Fermi energy was not converged when I used a looser k-mesh in SCF. I tried to run NSCF at denser k-mesh, but ABINIT doesn't print out the newer Fermi energy. Is it a limitation? Or how can I fix it? Thanks!

William

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