[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
More information about the Wien
mailing list