[CP2K:2966] no fictitious mass in cp2k?
peter.t... at epfl.ch
Thu Dec 2 12:27:56 CET 2010
CP2K uses "ordinary" Born-Oppenheimer dynamics, so there is no need for
a fictitious mass.
On 12/02/2010 12:22 PM, Muhammad Radifar wrote:
> Dear all,
> I know that my question is sort of silly, and if you don't have the
> time to answer my question then at least give me some reference
> regarding to the answer for my question.
> I was kinda wondering, in CPMD we have to define the fictitious mass
> for the electron, but why we don't have to define fictitious mass in
> CP2K? What's going on? Is it having to do with the GPW basis set?
> Muhammad Radifar
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