On Thu, 2014-03-13 at 01:24 -0700, mohammad moaddeli wrote:
> There is about 2 eV difference between the Fermi energy in scf and > nscf calculations. > > What does it mean exactly? see the second part of my previous answer to Uri Argaman. Also note that if the k-point grid used in nscf calculation is not a uniform one, you may get some funny results for the Fermi energy. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
