CCL: Gaussian03 error

Hi Erdem!

Try to make

opt=(z.matrix,restart,nolinear,maxstep=200) freq rb3lyp/lanl2dz/dga1

the %chk location should have the location of the checkpoint of the last calculation. But it would help if you send your input and the last iteration of the output file.

Best Regards,

Alcides

2008/2/20, Erdem YILDIRIM ekyildirim....gmail.com <owner-chemistry..ccl.net>:

Sent to CCL by: "Erdem  YILDIRIM" [ekyildirim*gmail.com]
Hello

Can anyone help me wtih the "Gradient out of range" error message in Gausian03. I am using B3LYP/LANL2DZ basis set and trying to do optimization and frequency calculatios. What shoul I do get rid of from this error. Thank you for your helps.


Erdem



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