relaxed PES scan
leelo... at gmail.com
Sat Mar 16 21:06:28 CET 2013
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.
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