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Author Topic: change in extended huckel parameters  (Read 2573 times)

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Offline rose

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change in extended huckel parameters
« on: December 2, 2014, 08:09 »
hi
i would wonder how can i change the intrinsic parameters of extended huckel (i.e. Eion,W1,W2,etc) for new usage of them?
I can not find any option in VNL for that or in the editor.
thanks
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Offline Umberto Martinez

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Re: change in extended huckel parameters
« Reply #1 on: December 2, 2014, 10:25 »
See Reference Manual in ATK-SE package
and HuckelBasisParameters

for an easy access to these parameters set "show default" in Script details when you save your script from the Scripter/Script Generator
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