[CP2K-user] [CP2K:16765] Question about EFIELD

[ma455...@gmail.com]

Thanks Prof. Hutter, I will give it a try.

Best,
Hongyang

在2022年3月23日星期三 UTC+11 22:02:31<jgh> 写道：

> Hi
>
> have a look at PERIODIC_EFIELD
>
> regards
>
> Juerg Hutter
>
> ________________________________________
> From: cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> ma455... at gmail.com <ma455... at gmail.com>
> Sent: Tuesday, March 22, 2022 3:04 AM
> To: cp2k
> Subject: [CP2K:16753] Question about EFIELD
>
> Hi,
>
> I'm a user of CP2K/9.1. Currently I want to apply an electric field in the 
> system to see its effect on the hyperfine interaction. And based on the 
> results, I found the keyword EFIELD can produce the expected results. 
> However, based on the cp2k manual description, EFIELD produces "finite, 
> time dependent, nonperiodic electric fields". Since the "ENVELOP<
> https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html#list_ENVELOP>" 
> I used is CONSTANT, I think the electric field would be a constant local 
> field. I'm wondering do I under this correctly? Then does this mean the 
> EFIELD will act similarly to the keyword EXTERNAL_POTENTIAL (i.e., a static 
> electric field applied on the simulation box)?
> My simulation system is a bulk material rather than an isolated molecule 
> or 2D slab, then could I still use EFIELD?
> Could someone who have experience in this keyword provide some suggestion? 
> Thanks in advance.
>
> Best regards,
> Hongyang
>
>
> --
> You received this message because you are subscribed to the Google Groups 
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an 
> email to cp2k+uns... at googlegroups.com<mailto:cp2k+uns... at googlegroups.com
> >.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/f3f30b02-b896-4186-9ca6-87a4819e59acn%40googlegroups.com
> <
> https://groups.google.com/d/msgid/cp2k/f3f30b02-b896-4186-9ca6-87a4819e59acn%40googlegroups.com?utm_medium=email&utm_source=footer
> >.
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/fc814c4e-b95e-44c5-8300-72b2f07481d9n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220323/51e314d1/attachment-0001.htm>