[Pw_forum] Only the rotation mode has imaginary frequency in 1 dimensional system

Peng Tao ptao10b at imr.ac.cn
Tue Sep 24 11:07:17 CEST 2013

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

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