Dear all,I am performing non-collinear magnetic calculations with spin-orbit interactions with QE 6.5. As far as I have understand, for a ferromagnetic system time-reversal symmetry should be broken in this case.
Although the program detects the right magnetic double point group, the k-points grid is set up with time-reversal symmetry and I have to set the no_t_rev flag manually to disable this. Is there any reason why this isn't done by default (e.g. these calculations can be done safely with a more reduced k-points grid...)? Do I miss something?
Best regards, Malte Sachs -- Malte Sachs Anorganische Chemie, Fluorchemie Philipps-Universität Marburg Hans-Meerwein-Straße 4 35032 Marburg (Paketpost: 35043 Marburg) Tel.: +49 (0)6421 28 - 25 68 0 http://www.uni-marburg.de/fb15/ag-kraus/
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