[Wien] error nn

[ben amara imen]

Hello !

I used the supercell 2*21. and  have two questions:


1) the dopant atom take a 0. 00000 value ,by default,   for R0!!! but when
I changed  its value to .0001 or 0.00005 , the execution of nn  has
failed.What can i do????

 2) Besides, when i executed the nn file i have a  error . They tell me
this's probably i have an extra space or so in the line with RMT for the
dopant atom  (is the atom number  5),But it' s not my case .Can some one
help me ??

  ERROR !!!!!!!!!!!!!!!
 RMT(  3)=2.00000 AND RMT(  5)=    NaN
 SUMS TO     NaN GT NNN-DIST= 4.74760


    ATOM  4  In         ATOM  6  S
 RMT(  4)=2.00000 AND RMT(  6)=1.80000
 SUMS TO 3.80000  LT.  NN-DIST= 4.74760

   ERROR !!!!!!!!!!!!!!!
 RMT(  5)=    NaN AND RMT(  3)=2.00000
 SUMS TO     NaN GT NNN-DIST= 4.74760


Best Regards
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