Dear Frederico,
You mean in a transiesta run,for the electrode calcualton, the k sampling is
just dense enough because it is metal.And then,when I do a tansiesa run for the
SR region,the first two lines of the Monkhorst_Pack block must be the same with
the one used in the electrode calculation.But the third line it need not to be
0 0 1,the k sampling in the third line is no use in the transiesta run but for
the initial siesta run.So the third k sampling is big enough for the siesta
run.And at the last,in order to get a better current,it is a good practice to
make the K sampling denser independ of the K samlping in the transiesta run.
Am I right?
As I known,the third k sampling must be set to 1,since it is not periodic in
the z direction.
Best wiesh!
Guangping