[CP2K-user] [CP2K:22063] Re: spin-orbit coupling calculation in CP2K

[Junbo Lu]

Hi,
  Thank you very much! Are there some relevant example files?
  With my best regards,
  Jun-Bo

On Fri, 23 Jan 2026 at 20:34, Mohammadreza Shirazi <mdshirazi at gmail.com>
wrote:

> Dear  Jun-Bo,
>
> In short, the answer is yes. Please, look at this publication for further
> information "https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05851".
>
> Best wishes,
> Reza
> On Friday, January 23, 2026 at 10:03:54 AM UTC+1 Junbo Lu wrote:
>
>> 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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