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Re: Alternative NBO code / moden-format

Wenli Zou


Please use the Molden program to open Firefly output and save a Molden file. See "19. Molden" and the picture in

You can also do NBO calculations using the standalone GENNBO. An old but free version NBO 3.0 still works:
Molden2AIM can convert the above Molden file into NBO .47 file.


On Sun Mar 6 '16 4:06pm, PeterP wrote
>Dear all,
>I recently came across an alternative code for "Natural Bonding Analysis" known as JANPA package, based on Java. Here is the original paper by Nikolaienko and coworkers :  
>DOI: 10.1016/j.comptc.2014.10.002 and this the website: .

>The point is, they need molden-style input formats for their java-prgroam. They added a tool to convert NWChem and ORCA results to molden-format file but I am rather interested in how to do so with Firefly output-files oder GAMESS-US log-files.

>Here's a description what the molden-format is:
>Any ideas how to do that easily ?

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