[CPMD-list] the calculation of H monovalent cation

[Juerg Hutter]

Hi

Can you give us an example what type of systems you are
talking about. I don't know what the
"H monovalent cation" should be.

Juerg

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Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Sun, 18 Nov 2001, Rongjian Sa wrote:

> Dear all,
>
>   I found the cpmd can not calculate the H monovalent cation. So I wander if who can tell me how to calculate it!
>
> Best wishes!
> Sincerely yours,
> Rongjian Sa