[CP2K-user] [CP2K:17293] Query regarding an NEB calculation

[Anjali ganai]

Dear All,

I have been trying this NEB tutorial on cp2k
https://www.cp2k.org/exercises:2019_uzh_acpc2:ex03
While running the NEB calculation, I get these lines in the output file

Building initial set of coordinates. START
 NEB| The number of replica in the input is different from the number
 NEB| of replica requested for NEB. More Replica will be interpolated.
 NEB| Therefore the possibly provided velocities will not be read.

I have mentioned NUMBER_OF_REPLICA 10 in the input file. Can someone say 
why is this message appearing in the output file? What changes do I need to 
do in the input file ?Any suggestion is highly appreciated.(input file , 
output file , reactant and product .xyz files attached)

Thanks in advance.

Regards
Anjali
Regards,
Anjali

-- 
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/977cdd65-fb48-4890-9472-ea6b6c90670an%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220709/c085c96e/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: init.xyz
Type: chemical/x-xyz
Size: 439 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220709/c085c96e/attachment-0002.xyz>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: neb.inp
Type: chemical/x-gamess-input
Size: 1559 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220709/c085c96e/attachment-0001.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: neb.out
Type: application/octet-stream
Size: 70162 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220709/c085c96e/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: final.xyz
Type: chemical/x-xyz
Size: 438 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220709/c085c96e/attachment-0003.xyz>