[Wien] Best RKmax

Hannan.Sadek at uv.es Hannan.Sadek at uv.es
Fri Mar 6 10:10:31 CET 2015


Hello

I'm using the last version of WIEN2k. And it is explained in the user
guide that the best value of RKmax can be obtained by starting from the
recommended minimal value and then increasing it in steps of eg. 0.5
until we get the point at which the energy start to increase again as a
function of the used RKmax values. Also we have to note that the value
of RKmax cannot be set arbitrarily large and can't be lager than 11. So
my question is if I reached this value(Rkmax=11) and still don't have
the expected behavior of the energy(the energy doesn't start to increase
again)? can I use values larger than 11 in that case?

Best regards
Hannan



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