[Wien] Convergence between wien2k11.1 and wien2k13.1

[Laurence Marks]

There are subtle differences, but there should not be any large differences
beyond about 0.0001Ryd/atom in most cases.

When you say "sizeable differences" what do you really mean? Using anything
beyond -ec 0.0001 is often not meaningful as the differences due to
changing functional and RKMAX etc are larger than this.

Reduce global warming, save the electrons!
On Jun 27, 2014 11:29 AM, "Yongxin Yao" <ykent at iastate.edu> wrote:

>   Dear users:
>      In various cases, I noticed that it will take wien2k13.1 some
> additional iterations to converge if I start from the converged results of
> wien2k11.1, and vice sersa. The total energies also show some sizable
> difference. Is it as expected? Is there any simple explanation? Thanks.
>      Regards, Yongxin
>
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