[Wien] Can we compare the energies of cases calculated with different versions
yxl@email.jlu.edu.cn
yxl at email.jlu.edu.cn
Sat Jun 16 15:16:13 CEST 2007
Dear users,
Can we compare the energies of cases calculated with different wien2k versions? I calculated the same case with wien2k05,wien2k06 and wien2k07,
the total energy is nearly the same with wien2k05/06, but 2Ry lower than the case calculated with wien2k07.
What differences of the different versions lead to the different total energy?
yours sincerely,
hongxia
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