[CP2K-user] Is there any basis set updating during Car–Parrinello molecular dynamics?

[C C]

> near dependence 
linear dependence.
I am very sorry for my typo.

在2020年11月25日星期三 UTC-5 下午6:48:51<C C> 写道：

> Hi,
>
>  I have a very naive question. According to 
> https://www.cp2k.org/basis_sets
>  CP2K adopted atomic centered Gaussian.
>
>  From what I understood, in CPMD calculation, the potential energy surface 
> is calculated on the fly (not prior constructed). During the MD simulation, 
> nuclei changed their positions and overlap integrals will change. Will CP2K 
> update its basis, i.e., adjust the center of basis function? Is there any 
> near dependence in the calculation?
>
> Thank you very much!

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