[Pw_forum] the effect of smearing on density of states
mashiatalaaii at gmail.com
Wed Apr 6 22:14:26 CEST 2011
Hi and thank you for accepting me in the forum.
I made a Si/SiO2 supercell.
Since scf gave me this error: "charge is wrong, smearing in needed", and I
could not fix it by adding the number of the bands or number of electrons, I
used cold smearing with degauss=0.018.
I was wondering what the effect of this cold smearing is on the density of
states. I mean, if by any chance, I could get the DOS without smearing, how
would that be different from this one?
By the way, is there a way to get the DOS without smearing?
Thank you very much for the software.
I appreciate your help.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users