Dear QE users, I want to do total energy of isolated Iridium atom. In case of occupations='from_input', how to give occupations numbers under OCCUPATIONS card for Isolated Iridium atom (electronic configuration: [Xe].4f^14.5d^7.6s^2) with considering nspin=2 option. I am new to QE calculations.
Many many thanks in advance. venkataramana PhD student IIT Bombay Mumbai
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