Multiwfn forum

GODWINI

Member

Registered: 2021-06-22

Posts: 13

PLOTTING ELF

Respected Sir..I am first time user in Multiwfn..While plotting ELF plane map, certain ring systems and certain atoms of my molecule is not showing properly..Like it is looking as  a 2D diagram..How can I get ELF plot for my whole molecule..please help..

Last edited by GODWINI (2021-06-22 16:43:55)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: PLOTTING ELF

You should use main function 5 to plot isosurface map of ELF, see examples in Section 4.5 of Multiwfn manual.