[QE-users] High symmetry path and k points

[Lorenzo Paulatto]

> 1). In any high symmetry, path let say Silicon Γ—X—U|K—Γ—L—W—X, what is 
> the meaning of U|K,

Hello, there is no standard for giving list of k-path points, you should 
ask to who gave you the string to be sure. My guess is that you have two 
paths: Γ—X—U and K—Γ—L—W—X

> such type of points drawn at one 
> sing points while there corresponding coordinates mention separately.

I'm not sure what you mean here

> 2). while calculating the k path how we can decide the weightage such as
> K_POINTS {crystal}

The weight is acutally used here to tell the code how many points 
generate along the line connecting a certain point with the following 
one. I.e. in your case you have 15 points along the line between the 
first and the second.

  -- BUT --

This is only done when specifying
K_POINTS crystal_b

if you specify just "crystal" the weight is ignored. I recommend you 
read the corresponding part of the INPUT_PW.html document, where this is 
explained in detail.

> 8
>   0.0000      0.0000       0.0000      15  !k
>   0.5000     0.0000        0.5000        6   !l
>   0.6250     0.2500        0.6250       14  !p
>   0.3750     0.3750        0.7500        8   !g
>   0.0000      0.0000       0.0000       16  !h
>   0.5000      0.5000       0.5000         0   !l
>   0.5000      0.2500       0.7500        12  !u
>   0.5000      0.0000       0.5000          9   !k
> 4th column in the above data.
> Thanks
> 
> 
> 
> 
> 
> -------------------------------------------------------------------------------------------------
> Poonam Sharma
> Research Scholar
> Department of Physics
> Indian Institute of Technology Bombay
> Mumbai - 400076
> India.
> 
> 
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-- 
Lorenzo Paulatto - Paris