Spin-orbit coupling (SOC) calculation with relativistic PP
Asked by
Yelda Kadioglu
Hi, im trying to do spin-orbit calculation with siesta-4.1-b3 version and i got the warning below although i had generated relativistic pseudopotential with ATOM program and wrote "Spin spin-orbit" to input.
"Pseudopotential generated from a relativistic atomic calculation
There are spin-orbit pseudopotentials available
Spin-orbit interaction is not included in this calculation"
Could you help me please?
Thanks in advance
Yelda KADIOĞLU
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