Dear wang, you can find the vibration modes in *.dyn files, and it shows the displacement (complex number) at a certain frequency. Then you can use dynmat.x commond to get *axsf to show its movement.
by plgong HeFei, ISSP, CAS 在2014-12-18 00:13:53,plgongplg...@theory.issp.ac.cn写道: Hi everyone, I did a phonon calculation and get the frequecies of different modes, however, I am not sure where to find the eigenvectors of these frequencies? I saw a file named data-file in the outdir which has the following contents and I don't know if DISPLACEMENT_PATTERN contains the eigenvectors of the vibrational modes? (q=0 for this case): <?xml version="1.0"?> <?iotk version="1.2.0"?> <?iotk file_version="1.0"?> <?iotk binary="F"?> <?iotk qe_syntax="F"?> <Root> <TENSOR_INFO> <STOPPED_IN type="character" size="1" len="10"> dynmatrix. </STOPPED_IN> <RECOVER_CODE type="integer" size="1"> 30 </RECOVER_CODE> <QPOINT_NUMBER type="integer" size="1"> 1 </QPOINT_NUMBER> <QPOINT_GROUP_RANK type="integer" size="1"> 12 </QPOINT_GROUP_RANK> <NUMBER_IRR_REP type="integer" size="1"> 4 </NUMBER_IRR_REP> <NUMBER_OF_PERTURBATIONS type="integer" size="1"> 2 </NUMBER_OF_PERTURBATIONS> <SYMMETRY_TYPE type="character" size="1" len="15"> E' </SYMMETRY_TYPE> <DISPLACEMENT_PATTERN type="complex" size="6"> -9.999998516900670E-001,-0.000000000000000E+000 5.446281707139344E-004, 0.000000000000000E+000 -1.415585956251649E-017,-0.000000000000000E+000 -0.000000000000000E+000, 0.000000000000000E+000 -0.000000000000000E+000, 0.000000000000000E+000 -0.000000000000000E+000, 0.000000000000000E+000 </DISPLACEMENT_PATTERN> <DISPLACEMENT_PATTERN type="complex" size="6"> -5.446281707138789E-004,-0.000000000000000E+000 -9.999998516900669E-001,-0.000000000000000E+000 -1.363633827524650E-017,-0.000000000000000E+000 0.000000000000000E+000,-0.000000000000000E+000 0.000000000000000E+000,-0.000000000000000E+000 0.000000000000000E+000,-0.000000000000000E+000 </DISPLACEMENT_PATTERN> <NUMBER_OF_PERTURBATIONS type="integer" size="1"> 2 </NUMBER_OF_PERTURBATIONS> <SYMMETRY_TYPE type="character" size="1" len="15"> E' ...... ..... Thank you for any response. Jing Wang Dept. of Physics, Georgia Tech, GA, USA
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