Multiwfn forum

I needed to calculate the SOS with non equilibrium salvation.
I used the following input:

%nosave
%nprocshared=40
%chk=g22_sos_bc.chk
%mem=40GB
#p cam-b3lyp/6-311++G(d,p) SCRF=(iefpcm,Solvent=dmso,NonEquilibrium=Save)

Solvente dmso

0 1
16       1.540108000      3.744434000      2.898043000
8        3.837623000      6.411342000      1.126905000
8        8.890953000      7.199642000      2.094155000

--link1--
%rwf=/Storage01/TempG09/clodoaldo/g22_sos_bc
%int=/Storage01/TempG09/clodoaldo/g22_sos_bc
%d2e=/Storage01/TempG09/clodoaldo/g22_sos_bc
%nosave
%nprocshared=40
%chk=g22_sos_bc.chk
%mem=40GB
#p cam-b3lyp/6-311++G(d,p) td=(nstates=300,root=1) IOp(9/40=5) Geom=Check Guess=Read SCRF=(iefpcm,Solvent=dmso,ExternalIteration,NonEquilibrium=Read)

Solvente dmso

0 1

but it works with 1500 states in multiwfn and not 300