[Wien] Berrypi_GGA+U+SO

[Gavin Abo]

The issue in your calculation case as given by the "(x) w2waddsp: 
neither mmn nor amn files present" message is probably due to the known 
WIEN2k 14.2 bug reported in the post:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15074.html

The WIEN2k version 19.2 has fixed code as Prof. Marks has stated, which 
is also shown on the WIEN2k updates page 
[http://susi.theochem.tuwien.ac.at/reg_user/updates/].  That is one of 
the bugs that WIEN2k 19.2 has fixed code for.

On 9/14/2020 7:01 PM, Laurence Marks wrote:
> 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 <http://www.numis.northwestern.edu>
>
> On Mon, Sep 14, 2020, 19:50 tarek <hammad_tarek at hotmail.com 
> <mailto: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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