[Smeagol-discuss] giving atom index in non-colinear calculations

[asa aravindh]

Hi friends,

While doing transport calculation for the fe-mgo-fe system with  different
spin orientation for the left and right lead, I came across an error
message.
In the left lead I have given 8 fe atoms and intitalised the spin as + for
atom numbers 1 to 8
then in the right lead I have given 8 fe atoms starting from 13 to 20  and
hav given spin - in the DM Init spin block .
But en error message showed
"intdm: ERROR: Bad atom index in DM.InitSpin, line"
so what is the right preocedure to index atoms if we do calculations with
different leads?/ or can I give right lead  atom index also as 1 to 8.. in
that case how can give the right lead atoms index correctly in the
scattering part??
Can anybody tell me what is the correct way ..........
thanks in advance
Asa
-- 
Assa Aravindh.S
Research Scholar
Theory and Computational Studies Section,
Material Science Division, IGCAR, India
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