[Smeagol-discuss] problems on HartreeLeadsBottom

[Marcos Verissimo Alves]

Hi all,

I am a new user of smeagol and I've performed a few test calculations on
Ni monatomic wires just to get the feeling of the program. Now I have to
start to perform "real" :) calculations on two-dimensional systems but so
far I know only of calculations for one-dimensional systems. Therefore, my
questions are:

1) Can smeagol perform transport calculations for 2-D systems as well?
2) If yes, are there any aspects of the calculation to which I should be
particularly attentive (like k-point samplings, for example)?
3) Again in the case in which 2-D calculations are possible with smeagol.
Supposing I orient my system in the z-direction, which is the direction of
transport in smeagol (correct?). Is there the possibility of having
(spontaneously) components, in the final results of the transport
calculations, transverse to the z-direction?

Happy Halloween :) ,

Marcos


-- 
Dr. Marcos Verissimo Alves
Post-Doctoral Fellow
Unité de Physico-Chimie et de Physique des Matériaux (PCPM)
Université Catholique de Louvain
1 Place Croix du Sud, B-1348
Louvain-la-Neuve
Belgique

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