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Hello everyone,
I want to calculate spin-orbitcoupling, but I don't find the related parameters.I want to know can cp2k 5.1 calculate spin orbit coupling and how to calculate SOC with CP2K 5.1?
Thanks!
Jiajia Yang
2019.11.16
hut...@chem.uzh.ch
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Nov 18, 2019, 3:36:28 AM11/18/19
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Hi
there is no spin-orbit coupling in CP2K (also in newer versions).