Thanks Prof. Hutter, I will give it a try.<div><br></div><div>Best,</div><div>Hongyang<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2022年3月23日星期三 UTC+11 22:02:31<jgh> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>
<br>have a look at PERIODIC_EFIELD
<br>
<br>regards
<br>
<br>Juerg Hutter
<br>
<br>________________________________________
<br>From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of <a href data-email-masked rel="nofollow">ma455...@gmail.com</a> <<a href data-email-masked rel="nofollow">ma455...@gmail.com</a>>
<br>Sent: Tuesday, March 22, 2022 3:04 AM
<br>To: cp2k
<br>Subject: [CP2K:16753] Question about EFIELD
<br>
<br>Hi,
<br>
<br>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<<a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html#list_ENVELOP" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html%23list_ENVELOP&source=gmail&ust=1648180136737000&usg=AFQjCNEqXw2-HYnUGNFfJ6detsWaJ9zfhg">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html#list_ENVELOP</a>>" 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)?
<br>My simulation system is a bulk material rather than an isolated molecule or 2D slab, then could I still use EFIELD?
<br>Could someone who have experience in this keyword provide some suggestion? Thanks in advance.
<br>
<br>Best regards,
<br>Hongyang
<br>
<br>
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<br></blockquote></div>

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