[Smeagol-discuss] LDOS

[Ivan Rungger]

Hello Sheida,

   to get the LDOS in a different range from the transmission you have 
to run 2 separate calculations. Just make a separate directory, copy all 
the required restart files in there (including the converged *DM and *HM 
files), and in the input file in that directory set maxscfiterations 1. 
Then no self-consistency will be performed in this second run, and the 
code will only calculate the transmission/ldos. In that directory then 
you can modify all the parameters affecting the transmission and ldos 
output.

Cheers,
Ivan

On 12/06/15 05:59, sheida bagherzadeh wrote:
>
> Dear All smeagol  users:
>
> Hi
>
> I want to compute the LDOS of my system (graphene nanoribbon between 
> gold electrodes) at zero bias.
>
> I set
>
> TrCoefficients          T
>
> InitTransmRange      -2 eV
>
> FinalTransmRange     2 eV
>
> TRCScaleEf          T
>
> EM.LDOS              T
>
> %block LocalDensityOfStates
>
> -2  2  eV
>
> %endblock LocalDensityOfStates
>
> So the  Transmission coefficient is computed in the energy range 
> between +/- 2 eVaround the Fermi energy.
>
> Now my question is :
>
> Is the LDOS also computed between +/- 2 eV around the fermi energy?
>
> If I want to compute the Transmision coefficient in the energy range 
> between
> +/- 2 eV around the fermi energybut compute the LDOS in the energy 
> range between +/- 0.1 eV around the fermi energy what should I do ?
>
>
> Best Regards
>
> Sheida Bagherzadeh
>
> PHD. Student
>
>
>
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