SCRF with piriodic condition
Nguyen Ngoc Ha
ha... at hnue.edu.vn
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 hnue.edu.vn <E-mail... at hnue.edu.vn>
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