[Wien] 2 ways to calculate bindning energy

Fri, 14 Mar 2008 B. Yanchitsky has written: Atom name Z E[1]-E[i] (eV) Be(hcp)4 -4.01952760 Al(fcc) 13 -9.1210168 Cu(fcc) 29 -32.5998664 Au(fcc) 79 -57.3670440 this is just wrong, interatomic potential is something like 0.01-0.1 eV, and

[Wien] 2 ways to calculate bindning energy

I have not followed in detail the sometimes unclear discussions on that topic, but I doubt that energy zeros or supercell sizes for single atoms are a real issue (the latter may be both, a fundamental and a numerical issue, when you need superior precision, but not for normal accuracy). lstart: