Explanations for C2H2 rt pulse output files-v.1.0.0

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C2H2-RT.data

For time steps from 0 to nt,

  • 1 column: time
  • 2-4 columns: x,y,z components of dipole moment
 # time[fs],    dipoleMoment(x,y,z)[A]
  0.00000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.12500E-02  0.36865577E-10  0.26829279E-11  0.34406036E-10
  0.25000E-02  0.18073826E-09 -0.31727181E-10  0.37576337E-09
  0.37500E-02  0.44535972E-09 -0.46387321E-09  0.20269347E-08
  0.50000E-02  0.82978989E-09 -0.15717505E-08  0.54983332E-08

...

  0.29996E+02 -0.26904548E-06 -0.20234454E-06  0.17659230E-01
  0.29998E+02 -0.26252886E-06 -0.14597591E-06  0.17484794E-01
  0.29999E+02 -0.25587818E-06 -0.88736340E-07  0.17304962E-01
  0.30000E+02 -0.24910218E-06 -0.30684633E-07  0.17119789E-01

C2H2-ALP.data

For energy steps from 0 to nenergy,

  • 1 column: energy
  • 2-4 columns: x,y,z components of real part of Fourier transformation of dipole moment
  • 5-7 columns: x,y,z components of imaginary part of Fourier transformation of dipole moment
  • 8-10 columns: x,y,z components of power spectrum of dipole moment
 # energy[eV], Re[alpha](x,y,z)[A*fs], Im[alpha](x,y,z)[A*fs], I(x,y,z)[A**2*fs**2]
  0.00000E+00 -0.15883265E-02  0.30170832E-01 -0.27085808E-01  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.25227810E-05  0.91027908E-03  0.73364099E-03
  0.10000E-01 -0.15663386E-02  0.29754889E-01 -0.26692490E-01 -0.21642495E-03  0.40943686E-02 -0.38241946E-02  0.25002563E-05  0.90211725E-03  0.72711348E-03
  0.20000E-01 -0.15018342E-02  0.28534541E-01 -0.25538998E-01 -0.42225079E-03  0.79886235E-02 -0.74579258E-02  0.24338018E-05  0.87803815E-03  0.70786106E-03
  0.30000E-01 -0.13990579E-02  0.26589731E-01 -0.23702198E-01 -0.60772632E-03  0.11498582E-01 -0.10726341E-01  0.23266942E-05  0.83923116E-03  0.67684858E-03
  0.40000E-01 -0.12646529E-02  0.24045614E-01 -0.21302096E-01 -0.76471075E-03  0.14470324E-01 -0.13484148E-01  0.21841295E-05  0.78758183E-03  0.63560155E-03
  0.50000E-01 -0.11070647E-02  0.21061369E-01 -0.18490668E-01 -0.88727519E-03  0.16791508E-01 -0.15626456E-01  0.20128496E-05  0.72553600E-03  0.58609093E-03


...

  0.99701E+01  0.37412262E-03 -0.85088817E-03 -0.72382596E-01  0.17682392E-03  0.63307364E-03  0.12810875E-01  0.17123444E-06  0.11247929E-05  0.54033587E-02
  0.99801E+01  0.36907063E-03 -0.90591868E-03 -0.63955230E-01  0.21300298E-03  0.48932338E-03 -0.25768333E-01  0.18158340E-06  0.10601260E-05  0.47542784E-02
  0.99901E+01  0.35571561E-03 -0.93354665E-03 -0.40774953E-01  0.24801642E-03  0.34232903E-03 -0.54477180E-01  0.18804574E-06  0.98869850E-06  0.46303600E-02
  0.10000E+02  0.33433462E-03 -0.93546865E-03 -0.90199750E-02  0.27981947E-03  0.19803309E-03 -0.68633577E-01  0.19007857E-06  0.91431869E-06  0.47919278E-02