Problem with Box Size

Axel akoh... at gmail.com
Sun Oct 2 16:39:26 CEST 2011



On Friday, September 30, 2011 2:04:21 PM UTC-4, Isaak Daniels wrote:
>
> I have found that if my box is "too large" (40x40x40 Angstroms), 
> memory runs out for DFT. I can't make my box smaller, because I want 
> to examine large molecules. 
>

so what is the question here?

axel.

Here is my input 


> Thank you 
>
>
>
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