Using the MCY3 functional in CP2K

Samuel Andermatt samuel.a... at student.ethz.ch
Wed Mar 25 07:02:39 UTC 2015


I do not know the solution, but what could help is to have a look at the 
files in the test section of CP2K. There are two files that use the MCY3 
functional:
tests/QS/regtest-hybrid-3/Li-hybrid-MCY3.inp
tests/QS/regtest-hybrid-3/Ne-hybrid-MCY3.inp

If you didn't compile CP2K yourself you can also find the files under: 
http://sourceforge.net/p/cp2k/code/HEAD/tree/trunk/cp2k/tests/QS/regtest-hybrid-3/


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