[Wien] Interstitial N-N pair in GaP supercell

Kakhaber Jandieri Kakhaber.Jandieri at physik.uni-marburg.de
Sun Jul 4 13:47:38 CEST 2010


In addition to my previous letter. 

I thought that may be the problem is in very large difference between the RMT(Ga,P)=2.0 and RMT (N)=1.0, but I cannot increase the RMT(N) because 
of overlapping spheres and, on the other hand, I cannot decrease the RMT(Ga,P) because of charge leakage. 


Could somebody advice the solution of this problem?

I will be extremely thankful for any suggestion.



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