[CP2K:6080] EXTERNAL_POTENTIAL does not work with semi-empirical methods and SCC-DFTB

[Teodoro Laino]

it makes sense.. you can try to implement that.

> On 11 Feb 2015, at 17:17, Xiao Hang <xiaoh... at gmail.com> wrote:
> 
> 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 <mailto:teodor... at gmail.com>>:
> simply.. they are not implemented.
> 
>> On 10 Feb 2015, at 23:35, Hang Xiao <xiaoh... at gmail.com <mailto: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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>> <Ion_NonP_NotWork.tar.gz>
> 
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