Slawomir Janicki
slawomir.janicki@comcast.net
To apply these basis sets you will need to declare GBASIS=SBKJC or GBASIS=HW in $BASIS and you will need to use the corresponding ECPs, i.e. declare ECP=SBKJC or ECP=HW in $CONTROL. For more information see pages 60, 64 and 71-72 the Firefly manual.
Slawomir
On Mon Dec 2 '13 7:51am, Siddheshwar Chopra wrote
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>Dear Sir,
>I am getting continuous error " Re^5: ILLEGAL BASIS FUNCTION REQUESTED " as I am trying to run calculations on Tin atoms. I am currently trying to use 6-31G(d,p) basis set. Please suggest me a basis set that would be time and efficiency trade off. I prefer the inbuilt basis set.
>Regards,