[CP2K:6076] EXTERNAL_POTENTIAL does not work with semi-empirical methods and SCC-DFTB

Teodoro Laino teodor... at gmail.com
Wed Feb 11 07:05:37 UTC 2015


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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> <Ion_NonP_NotWork.tar.gz>

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