Mostly yes - e.g. look at the work of Pasquarello's group (and many
others, of course) on the topic - many menaningful papers in the past 20
years.
nicola
On 20/05/2021 18:41, alex davila wrote:
Dear all,
I am interested in learning if QE is suitable for DOS
Dear all,
I am interested in learning if QE is suitable for DOS calculations of
crystalline and amorphous supercells.
In the case of c-Si supercell of 216 atoms, after scf, nscf, and dos
calculations, my DOS output is calculated without taking into account the
nscf results that fail: I've tried
