Adding new basis sets to the ECCE basis set tool

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Gary,
I've started to check my basis set files vs the nwchem ones by comparing nwchem calculations where the basis sets are specified as
  • library "def2-svp"
with computations where they are given with exponents and coefficients via ECCE.
I won't be able to check everything between H and Rn, but I'm picking out a couple of elements from different locations in the periodic table and comparing the energies.

Is there any specific time-frame I should work towards? And what would be your preferred way of obtaining the files?

/Andy
Edited On 4:12:48 AM PDT - Fri, Jun 28th 2013 by Ohlincha


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