[DFTB-Plus-User] Massive parallel calculation

SN Ism s.nenon at ism.u-bordeaux1.fr
Tue Aug 7 15:55:44 CEST 2012


Dear DFTB+ users,

Do someone have experience or comments on massively parallel DFTB+ 
calculations?
Is the gain interesting with hundred atoms systems (eventually with some 
k points) on hundreds of cores?


Best regards

S. Nénon



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