[CP2K-user] [CP2K:17657] Use small cell for supercell guess?

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Mon Sep 12 18:33:53 UTC 2022


Hello,

Is it possible to converge an SCF for a small unit cell and then use that 
as the guess for a supercell?

Thanks,
Frank

-- 
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/572f32dc-de04-4572-bcd9-17a1d69df735n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220912/401b7f9d/attachment.htm>


More information about the CP2K-user mailing list