[Smeagol-discuss] error in transmission coefficient

[prakash parida]

Dear Smeagol Users,
                                   we are facing problem in calculation of
Transport  property  with graphene electrode . programme is terminating with
the following errors in out put files and also i am attaching the necessary
files

output files
...........................................................................................................................................................................
siesta:                 ===============================
SMEAGOL                 Bias step =    0, V =  0.000 Ry
                            Begin CG move =      0
                        ===============================

iodm: Reading Density Matrix from files

InitMesh: MESH =   180 x   160 x   384 =    11059200
InitMesh: Mesh cutoff (required, used) =   400.000   414.393 Ry

* Maximum dynamic memory allocated =   337 MB
WARNING: There are k-points along z
ERROR: The spin at the left lead is not
the same as in the extended molecule
............................................................................................................................................................................


could anybody help us out ,please .
-- 
PRAKASH PARIDA
PHD (THEORETICAL SCIENCE UNIT)
JNCASR,BANGALORE,INDIA
prakashp at jncasr.ac.in
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