[Wien] core charge leaks out of MT-sphere

[Kathirvel vel]

Dear Sir/Madam,
          Now i started to do calculation using wien2k for Silicon system.
Here i am facing some problems and i am having doubts also.

While initialize calculation in "X lstart:- shows its default value (-6.0
Ry) for energy to separate core and valence states". but this value made to
leaks out the some core charges of MT - sphere for Silicon element. So i
increased the energy in order to bring the charges inside the MT - sphere
and checked, it  optimized with  "-7.1 Ry"value. My question is " is this
the way to bring the core charges inside the MT - sphere" ? or is there any
other way to bring the core charges inside the sphere?

And also Please clear my following doubts.....
1. How to optimze the k-points with energy?
2. Is there any other parameters which we have to optimize? if yes, tel me
how?


-- 
With Regards

V. Kathirvel
Research Scholar
Crystal Growth Centre
Anna University
Chennai
Tamil Nadu - 600 025
India.
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