You need both -orb and -so: runsp_lapw -p -ec 0.0001 -orb -so -i 99 Don't forget to execute init_so_lapw before runsp_lapw in order to generate case.inso.
________________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of tarek <hammad_ta...@hotmail.com> Sent: Sunday, September 6, 2020 6:25 PM To: A Mailing list for WIEN2k users Subject: [Wien] GGA+U+SO steps order Dear Wien2k useres / team I have 2 questions If I ran GGA+U for spin-polarized case and later after the calculations were ended I wanted to add SO calculations to the previous GGA+U. Does it write to use the following command in new run: "runsp_lapw -p -ec 0.0001 -so -i 99". Thanks a lot for your help 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 _______________________________________________ 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