Dear all,
I am doing some phonon calculations for an 8 atom supercell at q=0. I have
therefore got 24 irreducible representations.. These representations are all of
A symmetry.
(1) Is there a possibility to calculate the phonon frequencies for each
representation on its own (as I am interested in checking the value of first
frequency) or does the code calculate all 24 representations in one go ?
(2) Is there a way that the code just calculates the dynamical matrices WITHOUT
diagnalizing them? and then use dynmat.x to do the diagonalization? If this is
possible, does it reduce computation time?
Thanks
Elias ALbertUniversity of DerbyDE 11 4FGUK
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