Dear all, I calculate the phonon of the same structure with different input form first is " ATOMIC_POSITIONS crystal C 0.0000000000 0.0000000000 0.0000000000 C -0.2500000000 0.7500000000 -0.2500000000 CELL_PARAMETERS angstrom -1.7575165746 0.0000000000 1.7575165746 0.0000000000 1.7575165746 1.7575165746 -1.7575165746 1.7575165746 0.0000000000 " second is "ATOMIC_POSITIONS crystal C 0.0000000000 0.0000000000 0.0000000000 C 0.2500000000 0.2500000000 0.2500000000 CELL_PARAMETERS angstrom 0.0000000000 1.7575165746 1.7575165746 1.7575165746 0.0000000000 1.7575165746 1.7575165746 1.7575165746 0.0000000000 " in fact they are the same structure and all the other information is the same but the phonon band of them are very different
QE version Program PHONON v.6.7MaX Compilation information 1) MKL/17.0.4 2) Intel_compiler/17.0.4 3) MPI/Intel/IMPI/2017.3.196 the input and output file https://expirebox.com/3niup zhenqing Li Tsinghua university
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