What would be the commands in the input file for Spin-orbit coupling constant calculation in ORCA?

Madalasa Mondal @Madalasa_Mondal

07 March 2024 1 4K Report

what would be the commands in the input file for Spin-orbit coupling constant calculation in ORCA?

Maciej Smiechowski

Try this tutorial:

https://www.orcasoftware.de/tutorials_orca/spec/SOC.html

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