[CP2K:4885] Re: Martyna Tuckerman solver 2D

Andrei Buin phqu... at gmail.com
Fri Dec 20 15:44:54 CET 2013


Dear Matt,

Thank you for you comment and such wonderful reference. My impression
was similar to yours.

With Best Regards, Andrei Buin.

On Fri, Dec 20, 2013 at 4:44 AM, Matt W <MattWa... at gmail.com> wrote:
> Unfortunately, I think not. Including finite size corrections for the
> charged cells in 2D is not very well defined.
>
> See
>
> http://prl.aps.org/abstract/PRL/v110/i9/e095505
>
> for the most recent discussion I am aware of,
>
> Matt
>
> On Thursday, December 19, 2013 3:30:24 PM UTC+1, Andrei Buin wrote:
>>
>> I was wondering if the charged calculations are well defined in the case
>> of the MT Poisson solver in 2D periodic boundary conditions ?
>>
>> With Best Regards, Andrei Buin.
>
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