[CP2K-user] [CP2K:19971] How to write "periodic" part for triclinic crystals

[Suqi YANG]

Hi all,

When calculating triclinic crystals, the abc axes of the crystal and the 
xyz axis of the Gaussview Cartesian coordinate system can not coincide, in 
this case, how should "Periodic" part in CP2k be described?
Thank you for answers in advance.

Best regards,
Suqi

-- 
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/657ff4c0-68af-4279-95dc-b4178f6cc93dn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240225/5b26c642/attachment.htm>