[Wien] configure input file for TETRA

Viktor Zano zanov at post.bgu.ac.il
Sun Aug 12 11:24:43 CEST 2012


Dear Wien2k users
I'm using Wien2k_10.1 on windows XP.
I trying to re-calculate DOS for a structure and it seems that the
"configure *.int" button doesn't work, meaning that I can't have a command
line to choose the right DOS-cases (orbitals). In fact I got a message
"configure_int needs input".
I tried to recalculate DOS of other structures and of a simple structure
(TiC) and got the same note.
Of course I can edit it manually (which works fine), but I do not know all
the codes (for example "1" "1" stand for "1st atom"  " S orbital"). Where
can I get a full list of the orbitals (I mainly look for different f
orbitals in cubic system). I didn't find it in the useguide!
How can I fix that  "configure *.int" button ?
Thanks
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