NEB calculations in cp2k

[Junbo Chen]

Hi Yun,

I am also running CI-NEB with CP2K. I looked at your slurm message and it 
seems like it could be missing the RESTART.WFN file.
I would try adding a line under your POTENTIAL_FILE_NAME with

    WFN_RESTART_FILE_NAME band-RESTART.wfn

See if this helps.

Junbo 


On Thursday, January 11, 2018 at 3:41:39 AM UTC-5, any... at gmail.com wrote:
>
> Dear all,
>
> I am try to perform CI-NEB calculations with CP2K, however, after running 
> several time, it always comes out with the message " task aborted". So far, 
> I haven't figure out where the problem is. Could anybody help me to see if 
> there are any mistakes in my input file or am I misunderstood someting?
>  
> Thanks a lot for your kind help in adcance.
>
> Best, 
> Yun
>
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