[Wien] x dstart not running

[David]

Hello, probably you should take care of the struct file first, I ran the 
initialization with the struct file you attached and it shows that some 
of the Fe core electrons are leaking out the Muffin-tin sphere.
With out taking care of this you cannot continue with the calculation.
I'm not sure what was the original struct file from which you built the 
supercell, but you might have to go back to it and rebuild the supercel. 
If you are doing some sort of doping you need to run an optimization job.

David G.
CSULA
Los Angeles CA 90032

On 03/06/2011 09:23 PM, hosiyar moond wrote:
> Dear All,
>    I am running wien2k with linux, Red Hat 5. I am calculating Fe3O4 
> super structure in spinel structure, but x dstart is showing error. 
> Now what I do, Can any body tell me solution.
> I am enclosed here super structure file and error fils.
>
> *Hosiyar Singh Mund(09468905220)*
> *Junior Research Fellow*
> *Compton Profile Lab*
> *Dept. of Physics*
> *University College of Science*
> *ML Sukhadia University, Udaipur*
>
>
>
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