[Pw_forum] Query regarding real space interatomic force constant

[Sandeep Kumar]

Dear PWSCF users,
I have carried out linear response phonon calculations for Al over a 4 * 4 * 4 grid of q-points. This corresponds to a calculation in a supercell comprised of 4 * 4* 4 unit cells (primitive).
 We recall that the lattice vectors in fractional coordinate system of a fcc primitive cell are-
 a=(0.5, 0.5, 0.0)
 b=(0.0, 0.5, 0.5)
 c=(0.5, 0.0, 0.5)