Dear SIESTA,
I put an external electric field to a Si NW system (actually it is molecular
like with both ends passivated by H atoms):
%block ExternalElectricField
0.000 0.000 -0.050 V/Ang
%endblock ExternalElectricField
However, I found the energy can never get converged, even I set very small
mixing weight ~ 0.01.
Anyone has any thoughts?
Thanks,
Cherry
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