On 16/04/2019 11:09, Jibiao Li wrote:
Dear QE community,
I am performing phonon calculations using the QE 6.4.1, but the
calculations stopped with the error below. Please help me remove this error.
Actually, I managed to reproduce you error. But it goes away if instead
of specifying the cell parameters via ibrav=0 you use
ibrav = 8
celldm(1) = 7.569746
celldm(2) = 1.627307
celldm(3) = 6.786999
which allows the code to correctly find the symmetry operations. The
rest of the calculation is identical, same unit cell to 1.e-7
HTH
--
Lorenzo Paulatto - Paris
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