Using Multiwfn to plot transition density matrix and charge transfer matrix

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sobereva

sobereva

Күн бұрын

Пікірлер: 4
@exception4324
@exception4324 Жыл бұрын
@sobereva Can you please make a video on energy decomposition analysis.
@manasabhat8023
@manasabhat8023 Жыл бұрын
Sir I had a doubt in gaussian calculation what comment have u used
@gregorythompson4517
@gregorythompson4517 2 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?
@sobereva
@sobereva 2 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.
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