[CP2K:4189] augmented basis sets and cholesky issues

c.pignedoli c.pig... at gmail.com
Wed Nov 14 15:12:40 UTC 2012


dear all sorry for this mistake

On 14/nov/2012, at 16:11, "c.pignedoli" <c.pig... at gmail.com> wrote:

> si prospetta lo scenario disegnato dal nostro capo:
> se vuoi chiudere una attività difficile da chiudere
> devi assumere una persona molto giovane (e brava) che 
> assuma solo gente più vecchia di lui
> in modo che alla fine resti solo lui
> a chiudere la porta
> 
> On 14/nov/2012, at 14:28, Noam Bernstein <no... at bollweevil.gdbg.org> wrote:
> 
>> Thanks Juerg - I appreciate the help. I'm trying to compare
>> with a published calculation that used some sort of augmented
>> basis (still trying to find out exactly which one), even though
>> my system is a molecule (with charged groups) in a solvent.  I'll
>> try turning off Cholesky and the alternative bases you suggested.
>> 
>>       Noam
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