Dear siesta users
i am doing a transport calculation of a
molecular junction device which includes a left electrode (240 Au atoms),
right electrodes (240 Au atoms) and a magnetic molecule (scattering
region) sandwiched between them. I am wondering that the file TSGFL and
TSGFR created are of 68 G (34 G each). I have taken two different TSHS file
for left and right electrodes. Can anyone please figure it out that why
TSGFL and TSGFR data are very large.
Thanks and Regards
Rupesh Kumar Tiwari
C/o: Prof. Gopalan Rajaraman
Junior Research Fellow (CSIR)
Department of Chemistry
IIT Bombay
Mumbai- 400076
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