[CP2K-user] [CP2K:21689] NEB module trying to read an input file

Andy Wang xywang181 at gmail.com
Thu Jul 24 13:26:02 UTC 2025


Dear all,

I tried exactly on this 
tutorial: https://www.cp2k.org/exercises:2016_uzh_cmest:path_optimization_neb.
However, I kept getting this error:
"The specified OLD file <ethane_neb_aba-r-0.inp> cannot be opened. 
It does not exist."

Also, if I change the RUN_TYPE from BAND to GEO_OPT, then everything worked 
fine. My understanding is cp2k is trying to generate a temporary file 
on-the-fly. Is that correct?

Thanks in advance for any insights.

-- 
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 visit https://groups.google.com/d/msgid/cp2k/a88bd06b-0e6c-40be-be57-b14f90b6060an%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250724/fd22217f/attachment.htm>


More information about the CP2K-user mailing list