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Re: WFX by Firefly with the support of ECP

Alex Granovsky
gran@classic.chem.msu.su


Dear Wenli,

Thank you for sharing this information.

Kind regards,
Alex Granovsky


On Sat Mar 18 '17 3:09pm, Wenli Zou wrote
-----------------------------------------
>Dear Firefly users,

>The latest version of Molden2AIM can generate a WFX file with the EDF data for ECPs: https://github.com/zorkzou/Molden2AIM

>The MOLDEN program (http://www.cmbi.ru.nl/molden/molden.html) can be used to open Firefly's output file and save a Molden file. If there are ECPs, you have to manually insert a [Core] or [Pseudo] segment into the Molden file.

>Wenli


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