[Smeagol-discuss] Spin polarised calculations
Lianheng Tong
ucaplto at ucl.ac.uk
Thu Mar 6 16:27:15 GMT 2008
Dear All,
Did anyone succeed in doing a spin-polarised conduction calculation?
I managed to get the charge convergence etc (i.e. the .CHG file does
show convergence to within 0.3 of the initial charge with 0 bias),
however when trying to plot the transmission coefficients, I get an
empty file?? The plot is fine with the same settings for the non-
spin-polarised calculations.
Thank you very much in advance,
Lianheng
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