[Wien] potential

Víctor Luaña Cabal victor at fluor.quimica.uniovi.es
Fri Sep 2 10:26:08 CEST 2016


On Fri, Sep 02, 2016 at 12:21:24AM -0700, Yundi Quan wrote:
> The lowest value is -0.35234088194673E-02. I'm using modified Beck-John.

I should not consider that numerical inaccuracy. Something else is at
work. As Peter Blaha, says converging RMT's and kpoints can be quite
important. If you can't solve the problem you may plot the density on
an important plane to guess where the problem appears.

Best,
     Víctor Luaña


More information about the Wien mailing list