Dear siesta user


I am performing a transiesta calculation for the same electrodes.But I  got the 
following error. In my 
calculation, Transiesta do well in the SCF iterations
unit cell:
16.3485  0.0000  0.0000
-8.1743 14.1582  0.0000
0.0000  0.0000 13.3485
unit cell:
16.3485  0.0000  0.0000
-8.1743 14.1582  0.0000
0.0000  0.0000 13.3485
ERROR: lastoL,NGL2           0           9          18          27          36  
        45          54          63          72          81          94          
99         104         117         122         127         140         153      
   158         163         168         173         186         199         204  
       209         222         231         243
ERROR: Unexpected no. orbs. in L elec.
ERROR STOP from Node:    0


attach my fdf file for electrode and Scatterin 





Best regards

Attachment: elecINPUT.fdf
Description: application/vnd.fdf

Attachment: INPUT.fdf
Description: application/vnd.fdf

Attachment: POSITIONS.fdf
Description: application/vnd.fdf

Responder a