Fermi energy from NSCF calcuations
Posted: 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
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