Dear All,
I have a completed TD-DFT result with nstates=15. Now If I want to calculate again for 30 excited states. Do I have to restart the whole calculation from the beginning? Or is there any way where I can make Gaussian09 read the old check point file with nstates=15.
%mem=4800MB
%nprocshared=12
%chk=tddft_TIA.chk
# b3lyp/6-311++g(d,p) td=(nstates=30) scf=xqc gfoldprint
This is my current input. I have the old chk file with nstates=15.
Please help. As the system is big, I wanted to know if there is any way to do this. I have to use 6-311++g(d,p).
Soumya Ranjan Dash
Found the Answer:
%mem=4800MB
%nprocshared=16
%chk=OldcheckPointFileName.chk
# td=(nstates=200) b3lyp/6-311++g(d,p) scrf=(solvent=water) Guess=Read Geom=Check scf=xqc
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