[Pw_forum] (no subject)

[程迎春]

Dear PWscf users:
        I am trying to test the IR and Raman properties of silicon. I
followed the instruction of the user's manual(scf, phonon at gamma,
dynmat.x) and got diagonalizing the dynamical matrix. I am shame that I
can't understand the dynamical matrix. The matrix is list as follows:
=================================================================================================================================
 q =       0.0000      0.0000      0.0000
 **************************************************************************
     omega( 1) =       0.000000 [THz] =       0.000005 [cm-1]
 (  0.000000   0.000000    -0.707107   0.000000     0.000000   0.000000   )
 (  0.000000   0.000000    -0.707107   0.000000     0.000000   0.000000   )
     omega( 2) =       0.000000 [THz] =       0.000005 [cm-1]
 ( -0.707107   0.000000     0.000000   0.000000     0.000000   0.000000   )
 ( -0.707107   0.000000     0.000000   0.000000     0.000000   0.000000   )
     omega( 3) =       0.000000 [THz] =       0.000005 [cm-1]
 (  0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
 (  0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
     omega( 4) =      15.294056 [THz] =     510.158172 [cm-1]
 (  0.000000   0.000000     0.707107   0.000000     0.000000   0.000000   )
 (  0.000000   0.000000    -0.707107   0.000000     0.000000   0.000000   )
     omega( 5) =      15.294056 [THz] =     510.158172 [cm-1]
 (  0.000000   0.000000     0.000000   0.000000    -0.707107   0.000000   )
 (  0.000000   0.000000     0.000000   0.000000     0.707107   0.000000   )
     omega( 6) =      15.294056 [THz] =     510.158172 [cm-1]
 ( -0.707107   0.000000     0.000000   0.000000     0.000000   0.000000   )
 (  0.707107   0.000000     0.000000   0.000000     0.000000   0.000000   )
 **************************************************************************
==================================================================================================================================
How can I get the IR and Raman mode and the intensity?
Thanks in advance!
                                                                     Best
regards.

-- 
Y. C. Cheng
Department of Phyics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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