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Re: Forecast computing time

Igor Polyakov
polyakoviv@gmail.com


Hi,

No, it is not possible in the general case, but:

1) First of all there is exetyp=check - to check that your calculation will run fine up untill the very end.
2) 2nd, if you did the computation in the 6-31G basis set and want to redo it let's say in 6-31G** basis set you know for the system ration (number of b.f. in the new set/number b.f. reference set) let's say it be 1.8 , and the method scalability (let's take something high level here like N^6, ofc method should be the same for the reference calc and the calc of interest) u will get as a rough estimate (1.8)^6=34 times slower

Best luck, Igor


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