[Wien] blank struct file

tyagi at barc.gov.in tyagi at barc.gov.in
Mon May 17 07:16:57 CEST 2010


>>> I am using gfortran, and i do not have any problem for the same system
>> when i replace Bi atom by Sc, but as i replace O by He, i am facing the
>> problem.
>
> Most likely because you are using an editor and replacing "O" by "He".
> This is a fixed format file and you have to replace "O " by "He".

I am replacing "O" by "He" using w2web structgen. I did same for Sc also.

Regards
Mohit
>
> --
> Peter Blaha
> Inst.Materialchemie, TU Wien
> Getreidemarkt 9
> A-1060 Vienna
> Austria
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