[CP2K:6137] EXTERNAL_POTENTIAL does not work with semi-empirical methods and SCC-DFTB

[Xiao Hang]

Hi Teodoro,

Thank you for your quick reply. That's kind of pity that these functions
are not implemented in CP2K. But I still have a question. Is it hard to
implement or meaningless to do so (semi empirical methods are not suitable
to deal with polarization induced by external electric field)?

Best,
Hang

2015-02-11 2:05 GMT-05:00 Teodoro Laino <teodor... at gmail.com>:

> simply.. they are not implemented.
>
> On 10 Feb 2015, at 23:35, Hang Xiao <xiaoh... at gmail.com> wrote:
>
> Hi,
>
> I am trying to apply external electric field to semi-empirical or DFTB
> calculations. But it does not work. It seems the test system (a OH ion)
> does not feel the electric field. The input files are uploaded as
> attachment. Can you tell me what I'm doing wrong?
>
> Thank you.
> Hang
>
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