Dear QE-7.1 Developers,
Hi. For an atom having two localized uncompleted orbitals (say "d" and "f"), it seems in DFT+U approach it is better to take that orbital with less electrons as the "background part". Any comments is highly appreciated. Best regards, Mahmoud --------------------------------------- NSTRI, AEOI, Tehran, Iran Email: mpay...@aeoi.org.ir Phone: +98 (0)21 82066504 --------------------------------------------------------
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