[SIESTA-L] error in the left electrode

Fri, 30 Aug 2013 01:13:14 -0700 

Dear transiesta users,
I'm trying to run transport calculations for zigzag CNT. The attached two
input  files for the electrode region are used, the electrode.fdf file is
the same file I have used to relax the CNT and the file input.fdf  is a
file I found in siesta archive mail. Both files gave .TSHS without any
problem, but when I go to the next level of calculations ( include the
scattering region) I got an error from using the electrode.fdf file whereas
no such error came from using the input.fdf :

 ERROR: lastoL,NGL2           0           9          18
27          36
          45          54          63          72          81          90
          99         108         117         126         135         144
         153         162         171         180         189         198
         207         216         225         234         243         252
         261         270         279         288         416
ERROR: Unexpected no. orbs. in L elec.
ERROR STOP from Node:    0
ERROR: Unexpected no. orbs. in L elec.
ERROR STOP from Node:    1
ERROR: Unexpected no. orbs. in L elec.


I have used the same scat.fdf file for the scattering region in both cases.

Any suggestions?

Attachment: electrode.fdf
Description: Binary data

Attachment: input.fdf
Description: Binary data

Attachment: scat.fdf
Description: Binary data

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