I am trying to run fixed spin moment calculations for a noncentrosymmetric lattice that requires complex versions of both lapw1 and lapw2. My WIEN version is WIEN2k_23.1/
On the first iteration, it correctly runs lapw1 -c -up, but then it bombs with the diagnostic cp: cannot stat ‘RUN.in2up’: No such file or directory and tries to run lapw2 -up (without -c), of course, unsuccessfully. The standard runsp script works fine. P.S. I am installing the latest version, 23.2, now, but this script is practically identical: diff runfsm ../WIEN2k_23.1/runfsm 762d761 < grep -e ":CTO" $file.scfm_tau | sed 's/:/:TAU/' >> $file.scf 956c955 < --- > \ No newline at end of file _______________________________________________ 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
