few k-points in the semi-infinite direction

Asked by ankit on 2018-09-30

Hi,

I am new to transiesta. I have been trying to do a transport calculation using siesta-4.1-b3. I am receiving this warning in the transiesta run:

"
transiesta: k-grid: Number of Green function k-points = 15
transiesta: k-grid: Supercell and displacements
transiesta: k-grid: 6 0 0 0.000
transiesta: k-grid: 0 4 0 0.000
transiesta: k-grid: 0 0 1 0.000
Electrode: Left has very few k-points in the semi-infinite direction, at least 20 is recommended.
Electrode: Right has very few k-points in the semi-infinite direction, at least 20 is recommended.
"

When I ran my electrode, I have used:

"
%block kgrid_Monkhorst_Pack
 6 0 0 0.0
 0 4 0 0.0
 0 0 200 0.0
%endblock kgrid_Monkhorst_Pack
"

I am wondering why I am getting this warning when I have used 200-kpoints in the transport (z) direction in the electrode calculation. Am I missing something?

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
Nick Papior
Solved:
2018-10-05
Last query:
2018-10-05
Last reply:
2018-10-03
Best Nick Papior (nickpapior) said : #1

Could you please repeat the electrode calculation, something has probably gone wrong in that calculation.

ankit (ankitjain-me-iitk) said : #2

Thanks Nick Papior, that solved my question.