> Quoting subarna thakur <thakur.subarna.yahoo.co.in>:
>
>> Hello user
>> I am using Gaussain 03 to calculate the electrostatic potential of
>> Fe4S4 metal cluster.I want to carry single-point calculation
>> using B3LYP and 6-31G(d) basis set but for the Fe metal I want to
>> use 6-31G(2df) basis set.Can anybody suggest the gaussain input
>> where 2 different basis set are mentioned simultaneously.
>
Dear Subarna,
You might look at
http://www.gaussian.com/g_tech/g_ur/k_gen.htm
& you could modify the source code of R.E.D. to enable this feature...
regards, Francois
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Received on Wed Aug 19 2009 - 23:20:38 PDT
