relaxed PES scan

Li Li leelo... at gmail.com
Sat Mar 16 21:06:28 CET 2013


Dear all,

I am new to CP2K and I would like to do a relaxed PES scan of a distance 
collective variable.  I searched the example input files in the 
optimize_input/regtest-1, but I could not find it.  Can some one help me 
with this?  I appreciate it very much.

Best,
Li
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