Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 Multiwfn and wavefunction analysis » beta HRS analysis » 2025-05-11 13:21:25

sujadevi
Replies: 1

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

Board footer

Powered by FluxBB