Why Error in the file of energy at td=(nstates=20) rb3lyp/6-31g(d,p) scrf=(iefpcm,solvent=toluene) geo m=connectivity?

The error in log file is: 80 initial guesses have been made. Convergence on wavefunction: 0.001000000000000 Davidson Disk Diagonalization: ConvIn= 1.00D-03 SkipCon=T Conv= 1.00D-03. Max...

24 January 2024 1,642 0 View