Automatically constrain electrode atoms positions in TS MD.
Since you must keep electrode atoms fixed during a transiesta MD run (otherwise SIESTA exits), I wonder if it would make sense that Transiesta would automatically apply this constrain. Or at least have some easy way of specifying it like:
%block Geometry.Constraints
position electrodes
%endblock
or
TS.MD.FixElectrodes t
Edited by Pol Febrer