[CP2K-user] [CP2K:18115] need help in TDDFPT

[周子鉴]

Dear cp2k users/developers

I want to run TDDFPT unrestricted calculation on periodic system. But I 
find RES_ETYPE keyword in manual and it seems like only restricted 
calculation is possible. So I wonder if unrestricted calculation is 
accessible. Can I carry out the unrestricted one in TDDFPT by using UKS in 
DFT section and just not specifying the RES_ETYPE keyword in TDDFPT?

Thanks in advance
Zijian Zhou 

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/8c4b0baa-9c82-4534-a021-4ae1f200b477n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221129/8bffa8bd/attachment-0001.htm>