Which version(s) of Wien2k does this effect? -- Professor Laurence Marks Department of Materials Science and Engineering, Northwestern University www.numis.northwestern.edu "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi
On Wed, Feb 1, 2023, 02:31 Peter Blaha <peter.bl...@tuwien.ac.at> wrote: > Dear wien2k users, > > There is a small bug in run_lapw for cases without inversion symmetry. > Most likely not critical except when the default case.in1c file would > produce a QTL-B error, which would not be fixed automatically. > > A new version is attached and the web-version has been corrected > (release 1.2.23) > > Regards > -- > -------------------------------------------------------------------------- > Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-1-58801-165300 > Email: peter.bl...@tuwien.ac.at WIEN2k: http://www.wien2k.at > WWW: http://www.imc.tuwien.ac.at > > -------------------------------------------------------------------------_______________________________________________ > 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 >
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