[Wien] Rkmax

Francisco Garcia garcia.ff.000 at gmail.com
Sat Jul 27 05:08:22 CEST 2013


Dear users,

I would like to know why rkmax is sometimes slightly reduced in case.scf
compared to the value in case.in1(c). E.g, grep :RKM in case.scf is 7.97
but rkmax is 8 in case.in1(c). Sometimes the values match exactly.

Thank you.
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