TDDFPT calculations

Andrei Buin phqu... at gmail.com
Sat Dec 21 16:02:50 CET 2013


Dear all,

I'm trying to perform TDDFPT calculations and get an output.
 ***************************************************************************
 *** 03:39:15 ERRORL2 in xc:xc_calc_2nd_deriv :: UNIMPLEMENTED, XC_DERIV ***
 *** method not implemented for GPW!                                     ***
 ***************************************************************************


   2.2585278                                                         
1.4271E-07
   2.2780195                                                         
9.0117E-08
   2.3263270                                                         
2.3435E-08
   2.3264928                                                         
2.2348E-08
   2.3266743                                                         
2.1107E-08
   2.3268527                                                         
1.9977E-08
   2.3561065                                                         
3.1308E-08
   2.3952715                                                         
1.4155E-07
   2.4290710                                                         
4.0108E-07
   2.4579652                                                         
6.1055E-07
   2.4608987                                                         
3.8254E-07
   2.4864245                                                         
1.6962E-07

    24                                                               
6.1055E-07


  excited state :   1            2.258528

                  *** ->***             0.999        0.997

  excited state :   2            2.278020

                  *** ->***             0.999        0.999

  excited state :   3            2.326327

                  *** ->***             0.461        0.212
                  *** ->***             0.245        0.272
                  *** ->***             0.518        0.540


Basically, why do i see asterisks and what is an error appearing above ?

Is it specified format for printing the levels ?


With Best Regards, Andrei Buin.

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