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An error while converting

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asked by about Gaussian
edited by

I receive the following error while converting:

Convergence failure -- run terminated.
 Error termination via Lnk1e in C:\G09W\l502.exe

What is the problem?

1 Answer

0 votes
answered by (193k points)

This is a common error which has an easy fix. You will need to specify the MaxCycle in the route of the input file: SCF=(MaxCycle=N). N is actually the number of steps per SCF cycles. It is also recommended to turn on DIIS. To turn on the option, select HELP and search for this keyword. You will find additional information on how to enable the option as well as other related information.

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