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[jzwanzig@dal.ca]

Dear Colleagues, 

even having read the paper by Verstraete and Gonze I'm a little unclear on 
the interplay between tsmear, tphysel, and occopt. For example, with occopt = 
7 and tphysel = 300 K, should the energy be variational in tsmear? That is, 
am I to expect monotonic behavior in the energy with increasing (or 
decreasing) tsmear? I kind of hope not as I don't get that, at least for bulk 
zinc. Is the idea to increase both the kpt mesh and repeatedly vary tsmear, 
looking for stability (as opposed to a minimum or a maximum)? thanks for your 
help,

Joe Zwanziger