Re: can MPB output the fields for arbitrary k-point?

My other guess is that it is a floating-point rounding thing: that 0.25 in 
the list is slightly different from the 0.25 you are specifying due to 
rounding.

The best thing to do might be to take the element directly from the 
k-points list.  e.g.

 	(list-ref k-points 13)

will return the (0,0.25,0) element if I counted correctly.

Steven

On Wed, 8 Nov 2006, Emiliano Di Gennaro wrote:

> I'm sure it's in the list because I changed to 25 the k-points to 
> interpolate. Here it's the mbp output  related.....
>
> Initializing dielectric function...
> 27 k-points:
>    (0,0.5,0)
>    (0,0.480769,0)
>    (0,0.461538,0)
>    (0,0.442308,0)
>    (0,0.423077,0)
>    (0,0.403846,0)
>    (0,0.384615,0)
>    (0,0.365385,0)
>    (0,0.346154,0)
>    (0,0.326923,0)
>    (0,0.307692,0)
>    (0,0.288462,0)
>    (0,0.269231,0)
>    (0,0.25,0)
>    (0,0.230769,0)
>    (0,0.211538,0)
>    (0,0.192308,0)
>    (0,0.173077,0)
>    (0,0.153846,0)
>    (0,0.134615,0)
>    (0,0.115385,0)
>    (0,0.0961538,0)
>    (0,0.0769231,0)
>    (0,0.0576923,0)
>    (0,0.0384615,0)
>    (0,0.0192308,0)
>    (0,0,0)
>
> Any other suggestion?
> Thank you
> Emiliano
>
> Steven G. Johnson wrote:
>
>> On Wed, 8 Nov 2006, Emiliano Di Gennaro wrote:
>> 
>>> (run-tm (output-at-kpoint (vector3 0 .25 0)
>>>                         fix-efield-phase output-efield-z))
>>> 
>>> being sure that ( 0 0.25 0) was in the k-points list.
>>> 
>>> What it's wrong?
>> 
>> 
>> Probably, (0 0.25 0) is not in the k-points list?  It's certainly not in 
>> the default k-points list for the tri-rods.ctl example file, whose default 
>> k-points are:
>>
>>      (0,0,0)
>>      (0,0.1,0)
>>      (0,0.2,0)
>>      (0,0.3,0)
>>      (0,0.4,0)
>>      (0,0.5,0)
>>      (-0.0666667,0.466667,0)
>>      (-0.133333,0.433333,0)
>>      (-0.2,0.4,0)
>>      (-0.266667,0.366667,0)
>>      (-0.333333,0.333333,0)
>>      (-0.266667,0.266667,0)
>>      (-0.2,0.2,0)
>>      (-0.133333,0.133333,0)
>>      (-0.0666667,0.0666667,0)
>>      (0,0,0)
>> 
>> Steven
>> 
>> _______________________________________________
>> mpb-discuss mailing list
>> [email protected]
>> http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
>> 
>
>
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