Dear all, I calculated the phonon dispersion curve of one-dimensional system, finding that only rotational mode has imaginary frequency(about 180cm^-1). The frequencies are not located on gamma point. Could anyone tell me what does it mean? I make sure that my calculation reached good convergence with extremely large Ecutrho and K mesh. Thank you very much.
Best regards, Peng Tao -- ------------------------------------------------------------------- PH.D. candidate Peng Tao Magnetism and Magnetic Materials Division National Laboratory for Material Science Institute of Metal Research, Chinese Academy of Sciences Phone +86-024-83978751 -------------------------------------------------------------------
