[Wien] Optimization of Gmax

[shekoofe khosravizadeh]

daer all user
I am a new user of wien2k code .

I want to study the structural and electronic
properties of NaI . As the first step I need to
optimize some parameters such as RMT and Gmax.Using
RMT=2  for both Na and I (default), I calculated total
energy versus Gmax . In this case the results seems
quite reasonable ;the energy decreases to a
convergence limit . But strangely enouph ,when I
choose RMT larger than two for either of the two atoms
the total energy increases (not decreases) with
respect to increasing Gmax
 Am I doing something wrong ?
Any comment is approciated.                 


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