I am trying to calculate the NTOs of a specific td-dft calculation. I am using this input:
%oldchk=state9oh.chk
%chk=state9.chk
%nproc=8
#p m062x/6-31+G(d,p) Geom=AllCheck Guess=(Read) iop(9/40=4) Density=(Check,Transition=9) Pop=(Minimal,NTO,SaveNTO)
-3 1
--Blank line--
But, i am getting this error:
This type of calculation cannot be archived.
How can i solve it? The oldchk file is in the same folder, with the correct name.
Hello
Please attach the relevant input so we can discuss more about them.
I don't think the "error" is fatal. Did the calculation run? The last part of Gaussian output is a jumble of letters and numbers that constitute the "archive" section. [For example, see this annotated example: https://www.cup.uni-muenchen.de/ch/compchem/basic/g03output.html]. I believe the "error" is simply that details of your calculation cannot be captured in this part of the output.
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