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I was trying to calculate the polarization value of FE-ZB' Ga2O3 monolayer using VASP. I also tried with LCALCPOL tag in VASP, but it shows it is not an insulator, hence it will not be calculated....
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I am trying to find the band structure of 2D SiC using HSE functional in quantum espresso. As QE does not support non-scf calculation of hybrid functionals like HSE and my necessity is to find the...
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