[Pw_forum] bug report : bands.x deals A equais H for brav=4

[Lorenzo Paulatto]

please provide a series of input files that produce the bug, better if 
executable in a reasonable time

On 06/11/17 16:24, balabi wrote:
> Dear developers,
>      This seems like a bug. For ibrav=4, if I set k path for example as 
> below
> K_POINTS tpiba_b
> 4
> gG 6
> A 6
> H 6
> L 6
> 
>      the output of bands.x is like this
> 
> high-symmetry point:  0.0000 0.0000 0.0000   x coordinate   0.0000
>       high-symmetry point:  0.0000 0.0000 0.0872   x coordinate   0.0872
>       high-symmetry point:  0.6667 0.0000 0.0872   x coordinate   0.0872
>       high-symmetry point:  0.5000 0.2887 0.0872   x coordinate   0.4205
> 
> and the bands.dat.gnu
> 
>      0.0000  -61.4506
>      0.0145  -61.4506
>      0.0291  -61.4506
>      0.0436  -61.4506
>      0.0581  -61.4506
>      0.0726  -61.4506
>      0.0872  -61.4506
>      0.0872  -61.4475
>      0.0872  -61.4390
>      0.0872  -61.4282
>      0.0872  -61.4183
>      0.0872  -61.4121
>      0.0872  -61.4102
>      0.1427  -61.4105
>      0.1983  -61.4114
>      0.2538  -61.4126
>      0.3094  -61.4136
>      0.3650  -61.4144
>      0.4205  -61.4147
> ....
> 
> It seems that bands.x deals A equals H. How to fix it?
> 
> best regards
> 
> 
> 
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-- 
Lorenzo Paulatto - Paris