Dear Sandeep,
sure it can, if you take all the periodic replica of any atom into account (as
one should).
SB
On Jun 30, 2011, at 7:28 PM, Sandeep Kumar wrote:
> Dear PWSCF users,
> I have carried out linear response phonon calculations for Al over a 4 * 4 *
> 4 grid of q-points. This correspo
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
