Hi, Siesta Users I try to calculate the binding energy of bulk silicon. The following is the results about the energy. siesta: Final energy (eV): siesta: Kinetic = 970.814378 siesta: Hartree = 182.028830 siesta: Ext. field = 0.000000 siesta: Exch.-corr. = -779.962976 siesta: Ion-electron = -1198.084510 siesta: Ion-ion = -1745.125169 siesta: Ekinion = 0.000000 siesta: Total = -2570.329449
I am confused. I do not know which one is the binding energy or is related to the binding energy. The cell contains 24 atoms. I think the binding energy should be about 4.63 eV/atom. However, I can not obtain it. Could you help me? Thanks a lot. -- Yours Sincerely Yuhang Jing
