spin-polarized transport calculation with magnetic electrodes

[zgd1222]

 
   hi, Wizard ,what do you mean "I still think DensityMatrix is better, if you can get it to work... "  Is there anything to do when  using DensityMatrix ? i still have a problem ,when i do non-spin polarized calculation ,  can i use ElectrodeConstraints.RealSpaceDensity  unlike what you say "So, instead of having coordinates like

z=0 Ang
z=1 Ang
z=2 Ang

in a 3 Ang cell, one should use 0.5, 1.5, and 2.5 Ang."
   I'm looking forward to your reply very soon. thank you very much

[Anders Blom]

After the release of ATK 10.8, I would like to change my answer to: "Use ATK 10.8." We have reworked the two-probe algorithm, it is now more physical and there should hopefully be very little reason to bother with changing constraints etc - just use defaults, and in our experience pretty much everything converges