[Wien] maybe a simple question to you

george bush originw2000 at yahoo.com
Mon Dec 1 21:16:51 CET 2003


hi, there,

please pay attention to such a sentence in case.scf:

:GMA  : POTENTIAL AND CHARGE CUT-OFF  15.00 Ry**.5
        Energy to separate semicore and valencestates:
 -1.00454.

my question: if RMT = 1.1 and RKMAX = 8, then the
potential cutoff should be 52.89 Ry, why here show
15.00**.5?

your answer would be highly appreciated.

Rubbi

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