[Wien] Error in TiC suercell nn calculation
Gavin Abo
gsabo at crimson.ua.edu
Fri May 3 07:18:19 CEST 2013
I think the program will recommend a new struct file in a following step
that you can accept, which will remove the error.
On 5/2/2013 11:09 PM, vishal jain wrote:
> Dear All
>
> I start with TiC structure file and generate TiC super structure using
> STRUCGEN.
>
> After removing one atom is shows following error in nn calculation
> WARNING: Mult not equal. PLEASE CHECK outputnn-file
> WARNING: Mult not equal. PLEASE CHECK outputnn-file
> WARNING: ityp not equal. PLEASE CHECK outputnn-file
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