The message is as follows (the last portion of gaussian output file where the job has been stopped):
Problem detected with inexpensive integrals.
Switching to full accuracy and repeating last cycle.
EnCoef did 2 forward-backward iterations
The input which i have given is as follows:
%mem=30GB
%nprocshared=16
%chk=bp86_FREQ.chk
# freq=noraman bp86 def2tzvp scf=xqc
Kindly let me know, how i can solve this problem.
Thank you
This type of error has been mentioned in connection with the definition of the integrals. Therefore, you may want to try increasing the number of integrals by using the statement “integral=ultrafine” in your gjf/com job file. In addition (but this has most probably not to do with your calculation issue), be sure about your need of xqc convergence option. Have you encountered any previous convergence problem?
The command is int=grid=ultrafine if you're considering Massimiliano's advice.
And do the optimization/frequency calculation at the same time to see if there is convergence or not (in that case, try adding scf=xqc just like Massimiliano told you).
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