Dear transiesta users .
Do the number of kgrid_Monkhorst_Pack block ( or periodicity in each direction) could differ in structural relaxation, transiesta and tbtrans calculations? Or it must be the same? I mean can I for time saving used the below block in the optimization and transiesta %block kgrid_Monkhorst_Pack 1 0 0 0.0 0 1 0 0.0 0 0 1 0.0 %endblock kgrid_Monkhorst_Pack but for tbtrans extend the structure in z-direction? Warm regards azar
