[Wien] adapting qtl-file for 100atoms

[Kevin Jorissen]

It seems the 100atomfix does not change the format of the qtl-file.
This gives problems when reading the file (eg., in tetra) because the format
of the first lines (one per atom) has changed : from 7x I2  in wien2k_02 to
6x I3 in wien2k_03.
A simple command helps :

sed -e "s/JATOM=/JATOM /g" case.qtl > temp.file
mv temp.file case.qtl

which is a lot faster than recalculating the qtl-file.

If I am not mistaken somewhere (or using an outdated 100atomfix), maybe it
would be good to add sth like the two lines above?

Kevin Jorissen
EMAT, University of Antwerp
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
++3232180312
kevin.jorissen at ua.ac.be