<![CDATA[Multiwfn forum / ESP calculation using total density cube file]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=874 Wed, 06 Sep 2023 15:14:38 +0000 FluxBB <![CDATA[Re: ESP calculation using total density cube file]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3348#p3348 Multiwfn doesn't support calculating ESP for periodic system. You have to use own capability of FHI-aims (I am not familiar with this code).

]]> Wed, 06 Sep 2023 15:14:38 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3348#p3348 <![CDATA[ESP calculation using total density cube file]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3345#p3345 I have calculated total density cube file using FHI - aims for my periodic system.
Now I want to calculate ESP and visualize it . Can I use Multiwfn for this and if Yes how is this possible?

Thanks in Advance .

]]> Mon, 04 Sep 2023 13:40:52 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3345#p3345 久久精品国产99久久香蕉