[Wien] Isolated Atomic Calculation - all time error

[fakir nazrul islam]

sign off, please

--- Konstantin Nefedev <nefedev at gate.sinica.edu.tw>
wrote:

> Dear Juarez,
> 
> thank you for detaled scheme. It look nice.
> 
> Could I right understand that insted of the klist
> 
>         1    1    1    1    2  1.0 -7.0  1.5        
> 1 k, div: (  1  1  1)
> 
> I need use
> 
>         1    1    1    1   4  1.0 -7.0  1.5        
> 1 k, div: (  2  2 2)
> 
> ?
> 
> The second question concern of ort. botx 10x11x12. 
> This value in angstrom
> or in borr?
> 
> Regards,
> 
> Konstantin
> > _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


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