Fix atoms when performing CI-NEB

Abhishek Bagusetty abhishek... at
Sun Jun 28 17:39:56 UTC 2015

Hi Developer and Users,

I was trying to fix atoms using MOTION/CONSTRAINTS/FIXED_ATOMS when 
performing CI-NEB calculations. The weird behavior is that none of the 
atoms specified (in each replica) with the LIST are not constrained. It 
seems that the CONSTRAINTS are not respected in the CI-NEB calculation. I 
have seen a very similar post here 
<!searchin/cp2k/FIXED_ATOMS/cp2k/RTguyDH6jXE/Pr2_q5DQpooJ> but 
no solution has been posted. Is this a bug or an incorrect way of 
performing a calculation. 

Version - svn:13632
Machine - SDSC Gordon

It would be great, if any one has a fix to this issue. The input file has 
been attached.   

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