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

Wed Jul 3 11:43:21 UTC 2019

```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?

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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