Dear QE users,
As far as I know, when using ph.x to calculate raman spectrum. We should use fixed occupation and LDA in scf, right? However a error occur (charge is wrong, smearing is needed ) when I use fixed occupation in scf calculation because of my system is odd electrons. what should I do to calculate the raman spectrum of odd electron system? Thanks in advanced! Best regards, LIANG Xiongyi Department of Physics and Materials Science City University of Hong Kong
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