[CP2K-user] [CP2K:13168] Re: external electric field on slab system

[RUPESH TIWARI]

I want to apply an electric field in a cobalt system (non periodic) along
z-direction and optimise it. Can you please tell me what value for A and B
should I take or if you have an input file can you share to me.
Thanks and regards
Rupesh Kumar Tiwari

On Sat, 25 Apr 2020, 5:27 pm Matt W, <mattwa... at gmail.com> wrote:

> They are the parameters (PARAMETERS) with values (VALUES) specified in the
> input section.
>
> On Saturday, April 25, 2020 at 3:55:20 AM UTC+1, RUPESH TIWARI wrote:
>>
>> Dear Laura Hao,
>>                             Can you please tell me, what is A and B here?
>>
>> On Friday, February 7, 2020 at 7:34:20 AM UTC+5:30, Laura Hao wrote:
>>>
>>> Dear all,
>>>
>>> I am trying to apply an external z-direction electric field on a slab
>>> system which is periodic on XY direction and non-periodic on Z direction.
>>> Could I use the following command?
>>>
>>>
>>> &EXTERNAL_POTENTIAL
>>>       FUNCTION (A/B)*Z
>>>       VALUES [eV] 0.2 [angstrom] 1.0
>>>       PARAMETERS A B
>>>     &END EXTERNAL_POTENTIAL
>>>
>>>
>>> Sincerely
>>> Laura
>>>
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