All,
I ran the following PW/PH calculation for an insulating system:
PW input:
nspin=2
multiplicity=1
starting_magnetization(1)=0.15
starting_magnetization(2)=-0.15
Then, the PH code crashed with the message:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from phq_readin : error # 1
The phonon code with constrained magnetization is not yet
available
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Compared to other options already in PH, the one with nspin=2 for
insulators seems rather less demanding. Is there any big reason why it
is not implemented? Or, can one use some kind of a workaround here?
Thanks!
Kostya
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