[Wien] case.in1c missing for a centrosymmetric case doing U+SO

[Luc Fruchter]

Sorry to be back with this again, but it seems that lines for the 
corrected init_orb_lapw script:

    set atoms=`grep RMT $file.struct|cut -c1-5`
    set nat=$#atoms

will count two atoms instead of one, each time the atom symbol is only 
one character long (because of space between atom and index in the 
array. Like "O 1" vs "Rh1").


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200427/bbc8d081/attachment.html>