SCRF with piriodic condition

Nguyen Ngoc Ha ha... at
Sat Nov 20 00:53:00 UTC 2010

Dear Deverlopers and CP2K Users,

I would like to know the solvation model (SCRF) implemented in the cvs can
be used with periodic system?

Why I disable ATOM_LIST, the results are unchanged?

And please give me some hints to set RADIUS parameter, I test for different
values but I don't know which one is the best.

I can not find any example to use this function, it seems this function
is not frequently updated.

Best regards,

Nguyen, Ngoc Ha
Hanoi National University of Education
Faculty of Chemistry
Department of Physical Chemistry
Tel: Office: 04/38330842
Home: 04/37891674
Mobile: 0989133436
E-mai... at <E-mail... at>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list