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Re^3: Ga-OH2 system with ECP for Ga

Vladislav Ivanistsev
vladislav.ivanistsev@gmail.com


Dear Alex,
how can I define small core ECP?
Could not find definition of 'small' anywhere.
Sincerely,
Vladislav

On Sun Apr 1 '12 2:33am, Alex Granovsky wrote
---------------------------------------------
>Hi,

>by the way, use of small core ECP is most likely preferred in modeling  this system.

>Regards,
>Alex Granovsky
>


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