On 03/13/2014 09:24 AM, mohammad moaddeli wrote: > > > On Wednesday, March 12, 2014 6:21 PM, mohammad moaddeli > <mohammadmoaddeli at yahoo.com> wrote: > Dear all, > > There is about 2 eV difference between the Fermi energy in scf and > nscf calculations. > What does it mean exactly?
just ignore the one from nscf: it is not computed correctly (this is fixed in the development version of pw.x) > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > +33 (0)1 44 275 084 / skype: paulatz > http://www-int.impmc.upmc.fr/~paulatto/ > 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140313/02a284e7/attachment.html
