[Wien] Error while performing elastic constant calcution

413119008 at nitt.edu 413119008 at nitt.edu
Tue Jan 10 07:28:31 CET 2023


kindly find the C2.struct file in the attachment

with regards
Narayanan

Quoting Morteza Jamal via Wien <wien at zeus.theochem.tuwien.ac.at>:

> Are you sure your original struct file ( C2.struct) is correct??
>
> This error (ERROR status in Styp4__0.0  )is related to your original  
> struct file.
>
> What happend if you use C2.struct_sgroup file otherwise C2.struct file??
>
> Please send your original struct file for me.
>
> With best,
> Morteza
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