I am running wien version 95 of wien2k.
The purpose of my calculations is to get quantity lattice parameter 0f pyrite
CH2(u-0.15).
I am running this case (pyrite.struct) using this input :RKmax=6.5 ,
Gmax=26.0(in initialize)
because with?greater RKmax,I?should have Gmax?greater than 26.0 .
I read usersguide and FAQ page, but I couldent solve my problem.
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