[Wien] configure input file for TETRA

[Viktor Zano]

Hi
It is ofcurse a mistake
it is installed on Linux
Victor

2012/8/12 Jameson Maibam <j.maibam_official at yahoo.com>

> Dear sir, using wien2k in windows xp might be reported earlier, but to me
> this is the first time. How did you install? Would you please let me know
> all the steps you have done?
> Yours sincerely
> Jameson Maibam
>
>    *From:* Viktor Zano <zanov at post.bgu.ac.il>
> *To:* Wien2k mailing list <wien at zeus.theochem.tuwien.ac.at>
> *Sent:* Sunday, 12 August 2012 2:54 PM
> *Subject:* [Wien] configure input file for TETRA
>
> 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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