[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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