[Pw_forum] Can anyone help me with bandstructure calculations of GaN

[Stefano Baroni]

Also, I think that doing an electronic-structure calculation for a  
periodic system having (verbatim) "no idea of the KPOINTS in the  
Brillouin zone" is not a very good idea. SB

On Apr 29, 2007, at 12:48 AM, Axel Kohlmeyer wrote:

> On 4/28/07, Daya sagar <sagars_daya at yahoo.co.in> wrote:
>>
>> Hi all,
>>
>>   I am doing the band structure calculations of GaN nanowires. I  
>> am using
>> VASP for the calculations. I have no idea  of the KPOINTS in  
>> brillouin zone
>
> since you want to use VASP, how about asking in the corresponding
> VASP forum or switching to quantum espresso?
>
> cheers,
>   axel.
>
>> for calculating the band structures. Can anyone help me with the  
>> KPOINTS
>> file for GaN nanowire.
>>
>> Thank in advance
>>
>> Regards,
>> Dayasagar.
>>  ________________________________
>>  Check out what you're missing if you're not on Yahoo! Messenger
>
>
> -- 
> ====================================================================== 
> =
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http:// 
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
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