Libinit compilation
Reza
reza.... at gmail.com
Fri Feb 17 18:07:22 UTC 2017
Dear my friends
Thank you very much for your kindness and time to guide me.
I tested ORCA, Gamess-US, Gaussian09, NWChem, CP2K, FHI-aims for PBE0
(hybrid) calculation of C240 with nearly similar parameters (same basis
sets, grid, ...). The Fastest Code is Gaussian till now. It is welcomed an
optimized input to test CP2K speed. total energy of SCF-converged
calculation should be the same (-9143 Hartree).
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