QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: sumitn60 on April 29, 2022, 13:16
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Hi,
I was wondering if it is possible to print the 'DownUp' component of the transmission function while doing the non-collinear spin-orbit calculation of a molecular junction?
As from the output, only the 'Up,' 'Down,' 'Re(UpDown),' and 'Im(UpDown)' components are returned by the program, whereas the 'UpDown' components are spin-flip components, but there should be 'DownUp' component as well. My question: is it possible to print 'Re(DownUp)' and 'Im(DownUp)' components in the same spirit as the previous spin-flip components returned by the program?
Any help/comment will be highly appreciated.
Thanks
Sumit
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Unless I am mistaken, the transmission matrix should be Hermitian, thus the DownUp component would just be the complex conjugate of UpDown