regarding Erroneous electrode setup, check out-put error

Asked by nayana devaraj on 2018-05-12

Hi,
I'm doing transmission calculation
I had given K-points grid
# K-points
%block kgrid_Monkhorst_Pack
3 0 0 0.0
0 3 0 0.0
0 0 20 0.0
%endblock kgrid_Monkhorst_Pack
in transiesta electrode calculation

and I have given
# K-points
%block kgrid_Monkhorst_Pack
3 0 0 0.0
0 3 0 0.0
0 0 1 0.0
%endblock kgrid_Monkhorst_Pack
in Scattering region calculation

but in TBtrans calculation I'm getting error as
tbt: k-grid: Supercell and displacements
tbt: 1 0 0 0.000
tbt: 0 1 0 0.000
tbt: 0 0 1 0.000
Electrode: Left is a Gamma-only calculation, this is not feasible.
Erroneous electrode setup, check out-put
Stopping Program from Node: 0
Electrode: Left is a Gamma-only calculation, this is not feasible.

Why this error coming and How to select K-points

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
nayana devaraj
Solved:
2018-05-15
Last query:
2018-05-15
Last reply:
2018-05-14
Nick Papior (nickpapior) said : #1

1) Please state your siesta version used

2) Please check your output of the electrode to see if you have specified the k-grid correctly.

nayana devaraj (devarajnayana) said : #2

I am using siesta-4.1 version.
There was some problem with the k-grid which I had given. Now it is working proper.
Thank you so much for your reply.