[CP2K:4332] Tkatchenko Scheffler vdW correction method

[Ananya Mondal]

Thank you sir for your kind information.
I hope this Tkatchenko and Scheffler method is implemented soon in CP2K.

In the test input (QS/regtest-dft-vdw-corr/argon11.inp) PADE
pseudopotentials was used for RVV10 type  functional..
Can I use PBE pseudopotentials?
Which kind of pseudopotentials is best for this calculations?
regards
Ananya

On Fri, Mar 15, 2013 at 4:12 AM, <hut... at pci.uzh.ch> wrote:

> Hi
>
> this specific method is not implemented in CP2K. However,
> there are similar methods (Grimme's D2 and D3 methods)
> as well as full non-local DFT methods (Lundqvist methods or the
> VV10 method) available. See
>
>   CP2K_INPUT / FORCE_EVAL / DFT / XC / VDW_POTENTIAL
>
> regards
>
> Juerg Hutter
>
> --------------------------------------------------------------
> Juerg Hutter                         Phone : ++41 44 635 4491
> Physical Chemistry Institute   FAX   : ++41 44 635 6838
> University of Zurich               E-mail:  hut... at pci.uzh.ch
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> ---------------------------------------------------------------
>
> -----cp... at googlegroups.com wrote: -----
> To: cp... at googlegroups.com
> From: Ananya Mondal
> Sent by: cp... at googlegroups.com
> Date: 03/14/2013 11:49PM
> Subject: [CP2K:4331] Tkatchenko Scheffler vdW correction method
>
> Dear CP2K Developers,
> Recently the Tkatchenko and Scheffler method [ Phys. Rev. Lett. 102 073005
> (2009)] to
> correct the missing van der Waals interactions is implemented in the VASP
> code.
> I'm curious about the  TS-VDW functionality in CP2K.
>  Thanking You,
> Ananya
>
>
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