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calculation using aug-cc-pvtz basis set
Mridula Guin
mridula.guin@gmail.com
Hello firefly users,
I can not run calculation using aug-cc-pvtz basis set. I downloaded the external basis set and added the following to the input file
$basis extfil=.true. gbasis=accpvtz $end
Its showing fatal error in opening the basis.lib file. Please help me to solve this problem.
P.S. I am running calculation from gabedit.Thanks and Regards,
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Tue Dec 29 '15 7:48pm
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