//www.umsyar.com/wfnbbs/viewtopic.php?id=1717 Sat, 06 Sep 2025 08:47:18 +0000 FluxBB //www.umsyar.com/wfnbbs/viewtopic.php?pid=5274#p5274 Without detailed information, including ORCA input and output files, input file for Multiwfn, and all commands you inputted in Multiwfn, I cannot easily answer this question.

]]> Sat, 06 Sep 2025 08:47:18 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=5274#p5274 //www.umsyar.com/wfnbbs/viewtopic.php?pid=5273#p5273 Hello,
I'm having a problem with the dipole moments of my systems (those made up of a polymer and a drug in an anion, since they're in water). Using Orca version 5.0.1 optimization, I'm getting lower values than those calculated by Multiwfn. What causes this difference?

]]> Fri, 05 Sep 2025 19:53:16 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=5273#p5273