Dear Dr. Papior,
Thanks so much for your reply.
Must I do the energy convergence test?
Thanks in advance,
Best regards.
Nadia Salami
On Fri, Jul 3, 2015 at 11:58 AM, Nick Papior nickpap...@gmail.com wrote:
As you said, convergence tests is the way to go.
2015-07-03 9:06 GMT+02:00 Nadia
As you said, convergence tests is the way to go.
2015-07-03 9:06 GMT+02:00 Nadia Salami nadiasala...@gmail.com:
Dear Dr. Papior,
Thank you very much for your reply.
I have applied these options,
TS.BiasContour.Eta 0.0001 Ry
TS.BiasContour.NumPoints 10
But I don't know how to
Dear Dr. Papior,
Thank you very much for your reply.
I have applied these options,
TS.BiasContour.Eta 0.0001 Ry
TS.BiasContour.NumPoints 10
But I don't know how to obtain the optimized value.
Your Guidance will be highly appreciated.
Thanks a lot.
Best,
Nadia Salami
On Fri, Jul 3,
Please read the documentation for transiesta.
In the currently released versions these keywords should peak your interest:
TS.BiasContour.Eta
TS.BiasContour.NumPoints
2015-07-03 5:33 GMT+02:00 Nadia Salami nadiasala...@gmail.com:
Dear Transiesta users,
According to DOI:
Dear Transiesta users,
According to DOI: 10.1103/PhysRevB.65.165401, I know that the
non-equilibrium part of density matrix must be evaluated for a finite level
broadening and on a fine grid. I need to do convergence test in the level
broadening and number of grid points. But I don't know how to
