Dear PW community, I am working with an open-shell system which requires a lot of computational efforts. Is it possible to use other options than spin-polarized calculations (nspin = 2) to reduce computational cost, for example, restricted open-shell DFT? Is there any physical meaning to the results obtained with spin-unpolarized (nspin = 1) calculations in case of the open-shell system?
Thank you, Iryna Zaporozhets, Master student in Chemistry Kharkiv National University, Ukraine
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