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General Questions and Answers / Spin polarized calculation using initial spin non collinear
« on: June 21, 2024, 09:26 »
Hello,
I am using spin-polarized GGA calculation and setting the initial spin noncollinear. will this noncollinear initial spin affect the output?
Let's assume In my calculation I have set spin-polarized GGA FHI pseudopotential. The noncollinear initial spin is first put in the x-direction and then all in the z-direction. Will the output characteristic (Mulliken population or transmission spectra) be the same or different?
I am using spin-polarized GGA calculation and setting the initial spin noncollinear. will this noncollinear initial spin affect the output?
Let's assume In my calculation I have set spin-polarized GGA FHI pseudopotential. The noncollinear initial spin is first put in the x-direction and then all in the z-direction. Will the output characteristic (Mulliken population or transmission spectra) be the same or different?