[Wien] Berrypi_GGA+U+SO

[Laurence Marks]

The most obvious statement: there have been numerous bug fixes since 14.2
which is ~ 5 years old and obsolete. Please update to 19.2. It is unlikely
that anyone has a 14.2 version running and will be prepared to fix obsolete
code.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Mon, Sep 14, 2020, 19:50 tarek <hammad_tarek at hotmail.com> wrote:

> Dear wien2k team/users
>
> I managed to run Berrypi for GGA+U+SO case under OS ubuntu 14.4 and
> wien2k_14.2.
>
> I constructed 4X4x2 supercell of 48 atoms. However, I ran GGA+U+SO
> successfully.
>
> Therefore I applied Berrypi command as below:
>
>  >berrypi -o -j -k3:2:2 -p      it failed .......... then
>
>  >berrypi -o -j -k2:2:2 -p      it failed .......... then even with
>
>  >berrypi -o -j -k1:1:1          No way,the calculations again crushed.
>
> I attached the file containing my last results herein.
>
> I hope if you can help me.
>
> Thanks a lot for your help.
>
> Yours sincerely
>
> Tarek Hammad.
>
>
>
>
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