Cell OPT stops right before the second step of SCF
13 views
Skip to first unread message
Dat Ho
unread,
Nov 28, 2025, 5:08:56 AM (yesterday) Nov 28
Reply to author
Sign in to reply to author
Forward
Sign in to forward
Delete
You do not have permission to delete messages in this group
Copy link
Report message
Show original message
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to cp2k
I'm trying to run a cell optimisation simulation of a crystal but it stops every time at the second SCF step. Can anybody spot why? I attached my input and out file.
