NEB calculations in cp2k

anyu... at gmail.com anyu... at gmail.com
Thu Jan 11 08:41:39 UTC 2018


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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