[CP2K-user] [CP2K:15071] How do you create an electric field ?

[Giuseppe Cassone]

Hi,

if you need to apply a static electric field along the simulation box, you
can exploit the
EFIELD keyword, as pointed out here:
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html

Best regards,
Giuseppe

On Fri, Apr 2, 2021 at 5:14 AM Evelyn Navarro <easa... at gmail.com> wrote:

>
> Can you talk a little bit about these methods for applying local or
> periodic e-fields.
> On Thursday, April 1, 2021 at 8:18:04 PM UTC+8 jgh wrote:
>
>> Hi
>>
>> you can define a ghost atom with a charge and no basis functions.
>> This way you can define point charges or smeared charges by using
>> a local pseudopotential.
>> However, this will most likely not work for tight-binding Hamiltonians.
>>
>> BTW, there are several methods for applying local or periodic e-fields.
>>
>> regards
>>
>> Juerg Hutter
>> --------------------------------------------------------------
>> Juerg Hutter Phone : ++41 44 635 4491 <+41%2044%20635%2044%2091>
>> Institut für Chemie C FAX : ++41 44 635 6838 <+41%2044%20635%2068%2038>
>> Universität Zürich E-mail: h... at chem.uzh.ch
>> Winterthurerstrasse 190
>> CH-8057 Zürich, Switzerland
>> ---------------------------------------------------------------
>>
>> -----c... at googlegroups.com wrote: -----
>> To: "cp2k" <c... at googlegroups.com>
>> From: "Evelyn Navarro"
>> Sent by: c... at googlegroups.com
>> Date: 04/01/2021 10:29AM
>> Subject: [CP2K:15057] How do you create an electric field ?
>>
>> Hello,All
>>
>> I want to create an electric field by applying an electric charge to some
>> of the atoms in the model.But I did not find the relevant keywords, whether
>> there are these functions.
>>
>> Best wishes,
>> Evelyn
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>>
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