[Smeagol-discuss] transmission coefficient error

[prakash parida]

Dear Smeagol user,
                                  I calculated Transmission coefficient for
the system Au/S-hexayne-S/Au  starting with  SIESTA converged DM. The
program  terminated successfully
   with convergence, but  the Transmission coefficient   is not matching
properly with that of TranSIESTA  calculation ( Ref..Ref. PRL 98, 116801
(2007).
 I am attaching the required input files and  the Plots for Transmission
coefficients.
Please,could any body give some suggestion  ?

-- 
cheers

PRAKASH PARIDA
JNCASR,BANGALORE,INDIA
prakashp at jncasr.ac.in

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