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Author Topic: Basis set  (Read 3795 times)

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Offline Mubashir hamid

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Basis set
« on: May 6, 2020, 16:22 »
On choosing two different basis sets( single zeta and double zeta polarised basis sets) there is no difference in simulation results . Is it normal or not
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Offline mlee

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Re: Basis set
« Reply #1 on: May 7, 2020, 09:17 »
It depends on material.
It will be helpful to see the manual page:
https://docs.quantumatk.com/manual/technicalnotes/atk_pseudo_basis/atk_pseudo_basis.html
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