[Wien] minor problems in 17.1 with w2web and siteconfig_lapw
pieper
pieper at ifp.tuwien.ac.at
Mon Jul 10 16:15:29 CEST 2017
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
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