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#1 2023-04-21 06:33:26

Chaitanya
Member
Registered: 2022-07-30
Posts: 4

ORCA and Multiwfn

How to generate file for multiwfn from ORCA output file?

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#2 2023-04-21 09:46:34

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,632
Website

Re: ORCA and Multiwfn

Please clarify which analysis you want to perform via Multiwfn.

Most wavefunction analysis functions in Multiwfn can use .molden file of ORCA as input file, see beginning of Chapter 4 of Multiwfn manual on how to generate it via ORCA.

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