The ABINIT Users Mailing List ( CLOSED )

[Michel Côté <michel.cote@umontreal.ca>]

Title: Re: [abinit-forum] New beginner in ABINIT: need some advice

Dear ...,

You need to build the structure yourself. The Abinit package has a few structures in its test cases there are no nanotube. 

Let me add that the calculation of the piezoelectric properties of BN nanotube is quite a advanced topic for a class project. That calculation will require quite a lot of time to do. You may want to start with something smaller.

Michel


Le 27/02/06 20:20, « msmajdoub@uh.edu » <msmajdoub@uh.edu> a écrit :

> Hi everyone,
>    
>   Briefly, I am a new user of ABINIT software. I am working on my class 
> project and I need to reproduce piezoelectric properties od Boron 
> nitride nanotube BNNT as it was aready done in this paper"Spontaneous 
> polarization and piezoelectricity in boron nitride nanotubes" by S. M. 
> Nakhmanson, A. Calzolari, V. Meunier, J. Bernholc, and M. Buongiorno 
> Nardelli,PHYSICAL REVIEW B 67, 235406 ~2003.
>    
>    
>    
>   So, as said in this paper authors have used Abinit software to check 
> consistancy of their approach. Thus, I need as a start the initial 
> structure of BNNT. Should I build it my self using insightII or others 
> softwares or Can someone help me in finding this strucure in abinit (it 
> should be alredy done).
>   Any suggestions or idea are welcomed.
>    
>   Thanks in advance,
>   Best regards,


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  Michel Cote                          tel: +1 (514) 343-5628     
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  Département de physique 
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  Canada                   www.phys.umontreal.ca/~michel_cote 
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