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<p><font size="-1">Dear Molte <br>
</font></p>
<p><font size="-1">your system could be symmetric under operations
made by a rotation + the time reversal operation, in fact these
are the operations that the no_t_rev option disables, not the
time reversal per se. <br>
</font></p>
<p><font size="-1">does the results with and without t_rev compare
correctly ? <br>
</font></p>
<p><font size="-1">best regards Pietro<br>
</font></p>
<div class="moz-cite-prefix">On 08/04/20 12:57, Malte Sachs wrote:<br>
</div>
<blockquote type="cite"
cite="mid:7c9b3409-4cd4-ffaf-6454-8a64077f3a82@chemie.uni-marburg.de">Dear
all,
<br>
<br>
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.
<br>
<br>
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?
<br>
<br>
Best regards,
<br>
<br>
Malte Sachs
<br>
<br>
<br>
<br>
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