[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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