Dear CP2K users,<div><br></div><div>    After a TDDFPT excitation energy calculation, I obtain the following info from the output file. Can anyone who has TDDFPT experiences tell me how to interpret the results? The two most important properties for me are the HOMO-LUMO gap and the oscillator strength.</div>
<div><br></div><div>   Thanks in advance.</div><div><br></div><div>Hanning Chen</div><div><br></div><div>Department of Chemistry</div><div>Northwester University</div><div>Evanston, IL 60208  <br><div><br></div><div>    96                                                               2.4553E-04</div>
<div>  KPP1 total charge density (r-space):                             0.0000000000</div><div>  KPP1 total charge density (g-space):                             0.0000000000</div><div>  KPP1 total charge density (r-space):                             0.0000000000</div>
<div>  KPP1 total charge density (g-space):                             0.0000000000</div><div>  KPP1 total charge density (r-space):                             0.0000000000</div><div>  KPP1 total charge density (g-space):                             0.0000000000</div>
<div><br></div><div>   1.8689919                                                         1.1802E-04</div><div>   2.1549971                                                         1.6607E-04</div><div>   2.2936928                                                         1.9536E-04</div>
<div><br></div><div>    99                                                               1.9536E-04</div><div>  Restarting</div><div><br></div><div><br></div><div><br></div><div>  excited state :   1            1.868992</div>
<div><br></div><div>                  109 ->111             0.069        0.005</div><div>                  108 ->111             0.235        0.060</div><div>                  107 ->111             0.161        0.086</div>
<div>                  106 ->111             0.095        0.095</div><div>                  105 ->111             0.094        0.104</div><div>                  102 ->111             0.052        0.110</div><div>
                   99 ->111             0.081        0.122</div><div><br></div></div>