Hi,
from your output:
lattice parameter (alat) = 8.3812 a.u.
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 0.577350 0.000000 )
a(3) = ( 0.000000 0.000000 12.462388 )
Dense grid: 172941 G-vectors FFT dimensions: ( 36, 24, 450)
So for example in "z" you have 450 points that start from 0 with
increments every ( 8.3812 * 12.462388 / 450 ) bohr.
z(ir=1)=0
z(r=450)=8.3812 * 12.462388 / 450 * (450-1) bohr
z(r=451)=8.3812 * 12.462388 bohr
So you just need to translate the coordinates of the points delimiting
your boxes to those the indexes "ir".
Best,
Guido
--
Guido Fratesi
Dipartimento di Fisica ``Aldo Pontremoli''
Universita` degli Studi di Milano, Italy
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