[CP2K-user] [CP2K:22058] spin-orbit coupling calculation in CP2K

Junbo Lu lujunbo15 at gmail.com
Fri Jan 23 09:03:54 UTC 2026


Dear all,
  Does CP2K support the spin-orbit coupling calculation? I want to obtain 
the band structure of IrO2 solid with SOC.
  With my best regards,
  Jun-Bo

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