Multiwfn forum

sujadevi

Member

Registered: 2025-05-09

Posts: 1

beta HRS analysis

Hi

   While doing the Non linear studies-beta HRS calculations using Multiwfn, i got the results where some parameters are obtained as NaN.

I cannot proceed further without these values. Can anyone help in finding a solution to this problem?

The results of multiwfn output page is attached here for clarity.

Thankyou

beta_HRS.pptx

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,978

Website

Re: beta HRS analysis

Please send me your Gaussian input and output files via E-mail, and show me all commands you inputted in Multiwfn, I will check. It is likely your input file is incorrect.