Dear Quantum Espresso Forum,
I have been using ph.x from QE 7.1 for quite a few low-symmetry materials
but for several simple fcc crystals, the program
fails to diagonalize the first non-gamma point phonon matrix (see 7.1G.out)
file. However I ran the same program with QE 6.3
which diagonalizes
Dear QE users,
I am a PhD student working with Berry phase theory of polarization
calculations of single layer 2D material hBN in quantum espresso (applying
vacuum in the z-direction).
I found -0.002 C/m^2 polarization from lberry=.true. in QE; however,
total phases belonging to electronic