[Wien] Convergence between wien2k11.1 and wien2k13.1

Yongxin Yao ykent at iastate.edu
Fri Jun 27 17:29:15 CEST 2014


Dear users:
    In various cases, I noticed that it will take wien2k13.1 some
additional iterations to converge if I start from the converged results of
wien2k11.1, and vice sersa. The total energies also show some sizable
difference. Is it as expected? Is there any simple explanation? Thanks.
    Regards, Yongxin
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