Dear Molte
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.
does the results with and without t_rev compare correctly ?
best regards Pietro
On 08/04/20 12:57, Malte Sachs wrote:
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
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
