[CP2K-user] [CP2K:21542] print SOC AO matrix by CP2K
Junbo Lu
lujunbo15 at gmail.com
Sun Jun 15 01:51:24 UTC 2025
Hello,
Is it possible to use CP2K to print the SOC matrix over AO? The analytic
formulation of this integral is shown in attached figure.
With my best regards,
Junbo
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