[CP2K:370] Re: vdw correction

Teodoro Laino teodor... at gmail.com
Wed Oct 31 17:24:03 UTC 2007


Unless you don't do isolated system the pseudo that Fawzi is  
mentioning are totally unusable for cp2k.
The calculation becomes incredibly expensive due to the non-local  
part of the PP.

teo

On 31 Oct 2007, at 18:14, Fawzi Mohamed wrote:

> the way cp2k handles the pseudo, maybe someone more familiar with it
> can comment.

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