[CP2K:1496] PM6 for Ce
Teodoro Laino
teodor... at gmail.com
Sun Oct 26 14:30:55 UTC 2008
First: CP2K does not support yet sparkles.
Second: those parameters have not yet been published on any peer
reviewed journal.
Result: parameters with sparkles won't be soon available.
Teo
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Teodoro Laino
Zurich Switzerland
Contact info:
Tel.: http://www.jajah.com/Teo
E-mail: teo... at laino.eu
teodor... at gmail.com
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On 26 Oct 2008, at 14:30, Nguyen Ngoc Ha <ha... at hnue.edu.vn> wrote:
>
> Dear Authors,
> As I know, the latest cp2k is not implemented PM6 parameters for Ce
> while it's alive in MOPAC2007
> http://www.openmopac.net/maintenance.html
> Would you please add that into the code?
> Thank you.
> >
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