Dear Dirac users,
I would like to ask about the new input for the ADC(3). I have tried run a test calculation (non-relativistic) on thiophene according to the following format.
**DIRAC
.WAVE FUNCTION
**HAMILTONIAN
.NONREL
**WAVE FUNCTIONS
.SCF
.RELADC
**MOLECULE
*BASIS
.DEFAULT
cc-pVTZ
*END OF INPUT
$RELADC DOSIPS=T, ADCLEVEL=3, XREPS=1,2,3,4 VCONV=1.0D-05 $END
$LANINP SIPITER=1000, SIPPRNT=25.0 $END
This is the old format (dirac 2011). When I tried on dirac 2019 the calculation is running, but I cannot get the ADC(3) output.
Can someone suggest how to change the input?
Thanks a lot for your help
Kind Regards
FM