thanks for response! i do not understand exactally what do you want to say, attached my electrode.fdf and scattering.fdf notice : the left and right electrodes are the same is the definetion of atomic postion ok?
thanks in advance
From: nickpap...@gmail.com
Date: Mon, 10 Nov 2014 10:09:52 +0100
To: siesta-l@uam.es
Subject: Re: [SIESTA-L] Unexpected no. orbs. in L elec.
You have defined your electrode erroneously in the input file, please re-read
the manual for how to correctly define your electrodes.
My guess is that you miss 19 atoms in your electrode, or you have requested 19
too many atoms as an electrode.If this doesn't help, please compare how an
electrode is defined for the examples in the Tests directory. Reading the
manual while comparing to an existing working setup should clarify any issues
you might have.
2014-11-10 8:45 GMT+00:00 toufik esssakhri <tou...@hotmail.fr>:
I'm trying to run transport calculations for metal/oxide junction.
Calculation for electrode is done corrctally and it gave *.TSHS without
any problem, but when i go to do calculations for the scattering region
i got an error like this:
===================================================
ERROR: lastoL,NGL2 0 6 10 11 15
16 20 24 25 29 30
34 40 41 45 46 50
51 52 108
ERROR: Unexpected no. orbs. in L elec.
===================================================
Can anyone give me some advice?
any suggestion will be appreciated
cheers
taoufik
--
Kind regards Nick
elect.fdf
Description: application/vnd.fdf
scater.fdf
Description: application/vnd.fdf
