AW: [Wien] minimun volume is too much different

[Michael Gurnett]

So based on this your results differ by less than 1 %, which means that
you are obtaining the same volume. So it must be that they are defining
the unit cell differently.



On Sun, 2006-06-11 at 23:50 +0900, 王昊 wrote:
> Dear Michael:
> 
>   Thank you. here is the result
> 
>    Others’ calculation     mine     experiment
> 
>     2.092               2.076    no data
> 
> I think two calculations are similar. 
> 
>  
> 
> Thank you 
> 
>  
> 
> Best wishes
> 
>  
> 
> Hao
> 
> 
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