QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Mubashir hamid on May 6, 2020, 16:22

Title: Basis set
Post by: Mubashir hamid 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

Title: Re: Basis set
Post by: mlee 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