[Pw_forum] Help me with the Band Structure Calculation

[Gabriele Sclauzero]

When you will have solved your reading issue and succeed in giving k-points on input, be 
careful that you'll be specifying the k-coordinates in units of 2pi/a, while maybe your 
input lines are meant for using with the keyword 'crystal' instead (at least this I can 
guess from your input file). Please have a look at the Doc/ files.

GS


> K_POINTS
>  311
>   -0.500  0.500  0.500  1
>   -0.495  0.495  0.495  2
>   -0.490  0.490  0.490  3
>   -0.485  0.485  0.485  4
>   -0.480  0.480  0.480  5
> ...
> ...
> 
> I knew errors happened in the K_POINTS. And I have checked for many
> times, but I could not find where is the error.Would someone point it
> out for me ? Thanks a lot.
> 
> Have nice day!
> 
> Pan Deng
> Nanjing University
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| Gabriele Sclauzero, PhD Student                  |
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