[Wien] Interstitial N-N pair in GaP supercell

[Kakhaber Jandieri]

Dear Shamik,

"You have replaced one P atom by a pair of N atom.
I am interested to know that how do you able to replace one atom by two
atoms?"

I described in details the corresponding procedures in my reply to Swati Chaudhury.
I already mentioned in this reply that I am not sure in the correctness of these procedures, but just now I do not know the correct alternative.

Best wishes,
Kakha





shamik chakrabarti wrote:
> Dear Kakhaber Jandieri Sir,
>
>                                         First of all I am sorry because I am
> not able to answer your question instead of I am humbelly asking you a
> question. You have replaced one P atom by a pair of N atom.
> I am interested to know that how do you able to replace one atom by two
> atoms?
>
> With regards,
>
> On Sun, Jul 4, 2010 at 5:17 PM, Kakhaber Jandieri <
> Kakhaber.Jandieri at physik.uni-marburg.de> wrote:
>
>   
>> 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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>>
>>     
>
>
>
>   
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