[Wien] Problem with force minimization

[Saeed Bahramy]

Dear Stefaan,

I guess you are right, the muffin tin spheres seeps to be nearly  
touching. I will further reduce the RMT and redo the calculations. I  
hope It will solve the problem, otherwise I may bother you again ....

Thanks,
Saeed


On Oct 26, 2010, at 6:03 PM, Stefaan Cottenier wrote:

>
> Verify whether your muffin tin spheres have not become almost  
> touching (x nn, watch the screen output, or look in case.outputnn).
>
> If that does not help, please send us
>
> grep :FOR case.scf_mini
>
> grep :POS case.scf_mini
>
> Stefaan
>
>
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