[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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