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

Naseem Hassan raheskoon at gmail.com
Tue Feb 11 11:32:58 CET 2014


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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