[Pw_forum] Why NEGATIVE Density of State?

[Ari P Seitsonen]

Hello,

   Adding to Karim's answer, you should switch to a different broadening 
function, one does that not take negative values, if you want to be sure 
of remaining non-negative.

     Greetings from Paris,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Fri, 2 Jun 2017, Karim Elgammal wrote:

> try to specify a value for 'degauss'; maybe 0.01-0.03
> 
> Karim Elgammal
> PhD student at KTH
> 
>