@sobereva Can you please make a video on energy decomposition analysis.
@manasabhat8023 Жыл бұрын
Sir I had a doubt in gaussian calculation what comment have u used
@gregorythompson45172 жыл бұрын
I don't have access to Gaussian anymore because I graduated. Can GAMESS be an alternative to create a chk/fchk file for input for Multifwn?
@sobereva2 жыл бұрын
Multiwfn supports numerous quantum chemistry codes, such as ORCA, GAMESS-US, NWChem, etc. Please check Section 2.5 of Multiwfn manual on details of input file of Multiwfn, and beginning of Chapter 4 of Multiwfn manual on how to generate wavefunction file by various programs.