[CP2K-user] How to plot the TDDFPT results?

[Mohammad Shakiba]

Hello everyone,

I have done TDDFPT calculation and now I want to plot the results. I don't 
know how to plot them so that I can obtain the UV-vis spectrum. Can you 
give me a hint how to plot these results?  

Thanks in advance.

The output results are as follows:

 R-TDDFPT states of multiplicity 1

          State     Excitation      Transition dipole (a.u.)        
Oscillator
          number    energy (eV)       x         y         z       strength 
(a.u.)
         
------------------------------------------------------------------------
 TDDFPT|       1        1.92237      0.0993   -0.1785   -0.1787        
0.00347
 TDDFPT|       2        1.93374     -0.1232   -0.1089   -0.0648        
0.00148
 TDDFPT|       3        1.94894      0.0260    0.3081   -0.1581        
0.00576
 TDDFPT|       4        1.97889     -0.0359    0.4446    0.1197        
0.01034
 TDDFPT|       5        1.99788      0.5138    0.0001    0.3221        
0.01800

 Excitation analysis

   State        Occupied         Virtual        Excitation
   number        orbital         orbital        amplitude
 ---------------------------------------------------------
        1
                  306             307             0.977252
                  304             307             0.125801
                  303             307            -0.102600
                  305             307            -0.092826
                  301             307             0.062641
        2
                  305             307             0.968597
                  304             307             0.193138
                  302             307             0.107166
                  303             307            -0.063524
                  306             307             0.061549
        3
                  304             307             0.933157
                  303             307             0.254831
                  305             307            -0.168240
                  306             307            -0.112838
                  301             307             0.098231
                  302             307             0.065486
        4
                  303             307            -0.944904
                  304             307             0.231175
                  306             307            -0.128431
                  302             307            -0.090392
                  305             307            -0.089811
                  299             307             0.068903
                  301             307            -0.062611
        5
                  302             307             0.971280
                  305             307            -0.099716
                  301             307            -0.099289
                  303             307            -0.088739
                  298             307             0.080108
                  304             307            -0.051388

 ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):            
-1887.836400070522359

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