[Wien] Unable to incorporate the file into WIEN2k 11 mentioned by Dr. Steffan

[Stefaan Cottenier]

copy-paste into mail format has introduced some spaces that should not 
be there. Otherwise, this structure file is fine.

Either compare this file with one that is working, and remove the extra 
spaces (all dots should be a the required positions, etc.), or generate 
a new structure file by w2web using the lattice parameters and 
coordinates of that example file as input.

Stefaan


On 11/02/2014 11:32, Naseem Hassan wrote:
> Respected Seniors
>
> I want to use the structure file mentioned by Dr. Steffan on the wien2k
> mailing list. The link is
> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-February/016321.html
>
>
> When I copy and paste the text from file to my case.struct file then a
> totally messed up structure file is generated. I tried to properly
> format the structure file but the error persist. Kindly suggest How can
> I use this structure file provided by Dr. Steffan. Am I doing the
> formatting wrong or version is different ? I tried to avoid the mailing
> list and did found the proper structure file but a simple but strange
> issue is stopping me from using it. If possible Kindly someone try and
> send the proper structure file.
>
> Looking for a Kind response
> Best Regards
> Naseem
>
>
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