Installation of Wien2k 17.1 went very smoothely, thanks a lot for the new siteconfig_lapw! However, I encountered a small problem when I wanted to point the linker to the correct LIBXC dir: Make of my LIBXCD Version (dowmnloaded June.2017) produced a dir structure (LIBXCrootpath)/lib64 and /include, while siteconfig_lapw has a hard-wired (LIBXCrootpath)/lib and /include. When I finally figured this out it was easy to change the dir name from /lib64 to /lib, but ...
And w2web gives me difficulties with save_lapw: there is no way to the default save_lapw (all input files, clms etc). If all option boxes are left untouched it uses the last possibility in the list (I forgot which one that is). save_lapw from the terminal works just fine.
Best regards, Martin Pieper --- Dr. Martin Pieper Karl-Franzens University Institute of Physics Universitätsplatz 5 A-8010 Graz Austria Tel.: +43-(0)316-380-8564 _______________________________________________ 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
