[Pw_forum] how to write the q-points in a uniform grid in the irreducible Brillouin Zone?
sun jason
jasonsun98 at hotmail.com
Thu Aug 25 17:30:06 CEST 2005
Dear all,
I want to calculate the phonon and the interatomic force constants of some
particular material, its bravais lattice is primitive orthorhombic.
follow example06, I should make a phonon calculation for a uniform grid of
q-points, such as 444 grid, but I don't know how to write these q-points
for orthorhombic lattice.
does anyone know how to write these q-points? not only for orthorhombic
lattice, but also for all the other bravais lattice.
any suggestions would be appreciated.
jason sun
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