I can confirm that the latest version (WIEN2k + berrypi from GitHub) was recently tested for GGA+U+SOC and it works.
Oleg ________________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gs...@crimson.ua.edu> Sent: Monday, September 14, 2020 21:48 To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] Berrypi_GGA+U+SO 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_ta...@hotmail.com<mailto:hammad_ta...@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. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html