help

Conrad cjohns... at qub.ac.uk
Mon Mar 14 15:13:18 UTC 2016


Hi Celio,

Did you remove the CENTER_POINT keyword as advised? Please post your full 
input and your initial coordinates. 

CP2K is capable of what you want but there seems to be something that we 
need to change in your input. 

Best wishes,
Conrad.
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