[QE-users] Symmetry Errors of Phonon calculations appear

[Lorenzo Paulatto]

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