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Using external basis sets
Ian Dunn
iansdunn@gmail.com
On the Firefly downloads page, there are .txt files for several def2-XVP basis sets contributed by Thomas Pijper. Can someone point out a reference that explains how to use such basis sets in Firefly calculations? In particular, I am looking for instructions on how to setup an input file so I can use these basis sets.On the Firefly downloads page, there are .txt files for several def2-XVP basis sets contributed by Thomas Pijper. Can someone point out a reference that explains how to use such basis sets in Firefly calculations? In particular, I am looking for instructions on how to setup an input file so I can use these basis sets.
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Mon Jan 29 '18 0:15am
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