Good afternoon again, I have a similar concern about lattice vectors: Based on the SIESTA tutorial link: http://dipc.ehu.es/frederiksen/tstutorial/index.php/Graphene <http://dipc.ehu.es/frederiksen/tstutorial/index.php/Graphene> Graphene - TStutorial<http://dipc.ehu.es/frederiksen/tstutorial/index.php/Graphene> In this exercise we use SIESTA/TranSIESTA to study an ideal sheet of graphene. We calculate the transmission curves as a function of (i) the k-point sampling and (ii) the size of the supercell. The procedures involves a number of steps: dipc.ehu.es the transmission increases (and thus the current) with the increase of ONE of the unit cell lattice vectors. My question is: Is this increase a linear relationship or not? In the tutorial increasing twice along the y axis lead to doubling of the transmission. Is that really the case GENERALLY? In other words if I double the unit cell along one direction, does that mean the transmission (and thus the current) will also double or not? Also what if we double the size on 2 different directions of the unit cell, does that lead to 4 times the transmission being larger or not? Thank you and looking forward to your reply.
El-abed Haidar | Doctor of Philosophy (Science) Condensed Matter Theory (CMT) Group | School of Physics THE UNIVERSITY OF SYDNEY | NSW | 2006
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