[Pw_forum] Strange last k-point

[Sergey Lisenkov]

Dear PWscf authors and users,

I performed nscf calculation with tetrahedra option and automatic generated k-points (200 1 1 0 0 0). For me it seems to be very strange the coordinate of the last k-point:

 number of k points=  101 (tetrahedron method)
                       cart. coord. in units 2pi/a_0
        k(   1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(   2) = (   0.0050000   0.0000000   0.0000000), wk =   0.0200000
        k(   3) = (   0.0100000   0.0000000   0.0000000), wk =   0.0200000
        k(   4) = (   0.0150000   0.0000000   0.0000000), wk =   0.0200000
        k(   5) = (   0.0200000   0.0000000   0.0000000), wk =   0.0200000
        k(   6) = (   0.0250000   0.0000000   0.0000000), wk =   0.0200000
        k(   7) = (   0.0300000   0.0000000   0.0000000), wk =   0.0200000
        k(   8) = (   0.0350000   0.0000000   0.0000000), wk =   0.0200000
        k(   9) = (   0.0400000   0.0000000   0.0000000), wk =   0.0200000
        k(  10) = (   0.0450000   0.0000000   0.0000000), wk =   0.0200000
        k(  11) = (   0.0500000   0.0000000   0.0000000), wk =   0.0200000
        k(  12) = (   0.0550000   0.0000000   0.0000000), wk =   0.0200000
        k(  13) = (   0.0600000   0.0000000   0.0000000), wk =   0.0200000
        k(  14) = (   0.0650000   0.0000000   0.0000000), wk =   0.0200000
        k(  15) = (   0.0700000   0.0000000   0.0000000), wk =   0.0200000
....
        k(  93) = (   0.4600000   0.0000000   0.0000000), wk =   0.0200000
        k(  94) = (   0.4650000   0.0000000   0.0000000), wk =   0.0200000
        k(  95) = (   0.4700000   0.0000000   0.0000000), wk =   0.0200000
        k(  96) = (   0.4750000   0.0000000   0.0000000), wk =   0.0200000
        k(  97) = (   0.4800000   0.0000000   0.0000000), wk =   0.0200000
        k(  98) = (   0.4850000   0.0000000   0.0000000), wk =   0.0200000
        k(  99) = (   0.4900000   0.0000000   0.0000000), wk =   0.0200000
        k( 100) = (   0.4950000   0.0000000   0.0000000), wk =   0.0200000
        k( 101) = (  -0.5000000   0.0000000   0.0000000), wk =   0.0100000

Why is '-0.5 0.0 0.0' ? I gess it should be 0.5 0.0 0.0

Thanks,
 Sergey