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We try to calculate bandstructure of single layer RuClBr reported in fig.4 of 'https://pubs.rsc.org/en/content/articlelanding/2016/pq/d3nr00346a/unauth'. But our obtained bandstructure is not similar to it.
Are there any mistake in my code?
&control
calculation='scf'
restart_mode='from_scratch',
...