Can you please clarify how collinear spin relates to transiesta.
On Sunday, August 16, 2015 10:33 AM, Nick Papior <[email protected]>
wrote:
Same as siesta. Co-linear spin.
2015-08-16 16:32 GMT+00:00 Jaret Qi <[email protected]>:
Hello,,
I'm running spin polarized transport calculations for ZGNRs, so I got currents
for spin 1 and spin 2. My question: what these spins represent, are they spin
up and spin down?
As I know spin true in siesta means FM calculation which in turn means spins
are parallel or antiparallel, but not mixed.
Thank you
Jaret
On Wednesday, August 5, 2015 4:20 AM, leoqmc . <[email protected]> wrote:
Dear Nick,
Thank you for your reply.
Leone
2015-08-05 4:50 GMT-03:00 Nick Papior <[email protected]>:
I would say it is a little too much, but I think you should do convergence
tests (as noted in many of the previous answers).
2015-08-04 23:03 GMT+02:00 leoqmc . <[email protected]>:
Dear Nick, I had already seen this issue on the list but I have not found a
satisfactory answer to my question. Please provide me some guide.
Thank You Very Much.
Leone
2015-08-04 17:50 GMT-03:00 Nick Papior <[email protected]>:
Please read the many questions already posed about exactly this. --Kind regards
Nick PapiorOn 4 Aug 2015 21:13, "leoqmc ." <[email protected]> wrote:
Dear siesta/Transiesta users,
I am interested in transport calculations. My system consists of a molecule
between two gold surfaces. The calculation for scattering region (electrodes
plus molecule) ends normally. However, Qsol and Qtot looks like:
TranSiesta: Qsol,Qtot: 2634.554 2632.000 1.000
This difference is tolerable?
Thanks in Advance.
Leone
--
Kind regards Nick
--
Kind regards Nick
