Grottus mechanism

Dj MG ghada... at gmail.com
Tue Jul 12 15:19:40 UTC 2016


Hello cp2k lovers. 
I have project which aims to simulate proton transfer through grottus 
mechanism using aimd.
I got a problem, why H atoms from H3O+ can't move to H2O?
I attached my files below.


Cheers Always
...
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