[QE-users] About Phonon calculations, is it possible to calculater lraman (Raman) without calculating the the repentation Self-consistent Calculation again, it is a lot of cost.

[ludwigboltzmann.sc10 at nycu.edu.tw]

Dear users:

I am going to calculate do phonon calculation and Raman spectra calculation of my perovskite(only at Gamma point), 
My procedure is like this: doint: vc-relax & scf→phonon calculation→dynmat
#phononphonon calculation for diamondg(Only gamma pt).  !use QEsub_ph (ph.x) (rather than pw.x)&inputph  outdir="output"  prefix = ' perovskite',  tr2_ph = 1.0d-14               !Threshold for self-consistency  ldisp = .false  asr = .true  zue = .true  epsil = .true  trans = .true         fildyn = ' perovskite.dyn'  start_q = 1  last_q = 1  "lraman = .true."  recover = .true !start from old/0 0 0                            !gamma pt
I made a mistake without adding  "lraman = .true.", so I got dynmat.out with only IR but without Raman activities. 
Is it possible to calculater lraman (Raman) without calculating the repentation Self-consistent Calculation  again, it is a lot of cost.

Representation #   1 mode #   1
     Self-consistent Calculation
      iter #   1 total cpu time : 21284.5 secs   av.it.:   5.0      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.481E-09
      iter #   2 total cpu time : 21666.4 secs   av.it.:  17.0      thresh= 8.051E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.068E-08
      iter #   3 total cpu time : 22023.4 secs   av.it.:  16.0      thresh= 1.033E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.855E-10
      iter #   4 total cpu time : 22379.9 secs   av.it.:  16.0      thresh= 1.963E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.560E-11
      iter #   5 total cpu time : 22749.5 secs   av.it.:  16.9      thresh= 3.950E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.517E-12
      iter #   6 total cpu time : 23124.2 secs   av.it.:  17.0      thresh= 1.232E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.771E-13
      iter #   7 total cpu time : 23504.1 secs   av.it.:  17.0      thresh= 4.208E-08 alpha_mix =  0.700 |ddv_scf|^2 =  2.903E-14
      iter #   8 total cpu time : 23890.4 secs   av.it.:  17.9      thresh= 1.704E-08 alpha_mix =  0.700 |ddv_scf|^2 =  1.027E-14
      iter #   9 total cpu time : 24267.0 secs   av.it.:  17.0      thresh= 1.013E-08 alpha_mix =  0.700 |ddv_scf|^2 =  5.001E-15
     End of self-consistent calculation
     Convergence has been achieved 

Sincerely,
National Yang Ming Chiao Tung University
HY Lu
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