[Wien] Number of k points

Che Franklin N. c89vd at unb.ca
Wed Sep 16 21:11:08 CEST 2009


Dear fellow users,

I am a new Wien user and I've got a very general question: I am calculating reaction
enthalpies and I read somewhere that when calculating the energies of reactants and
products, the number of k points should be the same for all of them in order to be
comparable. Does this refer to the total number of k points in the BZ or the special k
points generated? 
Thanks in advance for your help.


 Che Franklin N.
 Chem Graduate Student
 UNBF, Canada







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