<![CDATA[Multiwfn forum / Multiwfn ground state analysis]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=1695 Fri, 01 Aug 2025 16:07:15 +0000 FluxBB <![CDATA[Re: Multiwfn ground state analysis]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=5210#p5210 Hello,

If you have .molden file of a crystal (usually generated by CP2K program), you can use Multiwfn to perform a lot of analyses; however, not all functions support periodic systems. The functions formally support periodic cases are explicitly listed in Section 2.9 of latest version of Multiwfn manual.

]]> Fri, 01 Aug 2025 16:07:15 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=5210#p5210 <![CDATA[Multiwfn ground state analysis]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=5209#p5209 Hi,

How can I have the data of the ground state of a crystal if I have the input.molden file? Can I use Multiwfn for this task?


Thank you.

]]> Fri, 01 Aug 2025 13:42:53 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=5209#p5209