[Smeagol-discuss] problems on HartreeLeadsBottom

[Ivan Rungger]

Dear Xiaoyan,

  the result you obtain with Pot.exe is correct. You have to modify the
value of -0.705 eV in the input file to the result that you get from
your leads calculation.

Cheers,
 
Ivan

wlxyfeng at mail.ustc.edu.cn wrote:
> Dear all,
>   I did calculations about one smeagol examples, i.e.
> smeagol1.0\Examples\gamma\leads, and run the Pot.exe to get the value of
> HartreeLeadsBottom. I just need change the system label in the potential.dat
> before run the Pot.exe, but can't get the value given in the transport calculation
> file -0.705eV. The result is as follows:
>   


-- 
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Ivan Rungger,

School of Physics and CRANN,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-8968454  
Email: runggeri at tcd.ie
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