[Wien] How to decrease interstitial charges?

[Ahmad Ranjbar]

Dear WIEN2K users,

I am doing some electronic structure calculations on graphene sheet using WIEN2K.
I am wondering if anybody can help me about my problem.
The problem is as follow:

My calculation shows that the total charge of carbon atom in muffin-tin sphere is about 4 electrons. It means that about 2 electron of Carbon atom is distributed in interstitial region. Is it correct for graphene?
I checked it for Diamond. The result was same!!!

If it is not correct How can i decrease the interstitial charges in my system. 
Is it possible?

I should mention that, for test calculation, i did SCF run for Iron Fe.

CTO  : TOTAL   INTERSTITIAL CHARGE=    1.0301020
TOTAL   CHARGE IN SPHERE  1 = 24.9698980

As you see the total charge in muffin-tin sphere is about 25 electrons.


Thank you very much for your help.

Best regards,