[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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