[CP2K:3646] Re: FIST - Units for GENPOT formula PARAMETERS

Teodoro Laino teodor... at gmail.com
Thu Dec 1 10:50:48 CET 2011


You can also use whatever unit you like.
For example

&GENPOT

...
...
   VALUES [angstrom] 2.5 [eV] 3.6 .. etc..
&END

Best,
Teo


On Dec 1, 2011, at 10:43 AM, S├ębastien Le Roux wrote:

> I found myself the answer to my question,
> CP2K internal units are atomic units thus I need
> to use atomic units in the GENPOT subsection.
> 
> Sorry to disturb the list with my question.
> 
> S├ębastien
> 
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