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).
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170217/b7ad0f4e/attachment.htm>


More information about the CP2K-user mailing list