Transmission and current calculation by TBTrans

Asked by Yelda Kadioglu on 2018-01-30

im trying to calculate transmission and current by the new version of siesta (siesta4.1-b3) and TBTrans. Although i was seeing current in the out files of older version, can not see the current in any out file of this version, i couldnt find it in TBTrans manual also, how can i get the total current of a device? Also when i try to plot transmission by "xmgrace label.TBT_UP.TRANS_Left-Right" i see lots of curve with different colors, but in the older version i have just seen one black curve. Could you please inform me, thanks in advance

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Nick Papior
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Best Nick Papior (nickpapior) said : #1

In the manual of tbtrans it is explained why you find this.

Essentially the new tbtrans *highly* encourages you to install with NetCDF4 support (please refer to the manual for this).

1) The current is *only* calculated when tbtrans is compiled with NetCDF4 support. In this case the end of the tbtrans-output will contain the current flowing between any two electrodes
2) The k-averaged transmission (which is what you seem to want to plot) is *only* generated when tbtrans is compiled with NetCDF4 support.

There are many other options that are *only* available with NetCDF4 support, so I would highly suggest you to re-install tbtrans.
What you have in the *.TRANS_*-* files are k-dependent transmissions, so each line is a specific k-point.

Yelda Kadioglu (yelda) said : #2

Thank you very much

Yelda Kadioglu (yelda) said : #3

Thanks Nick Papior, that solved my question.

How to compile the tbtrans for version 4.0.1? I am not finding any manual of tbtrans for this version of siesta, there are manuals for 4.1. For version 4.0 only build_all in the utility folder will work?

I have another question that if I complie siesta 4.0 for parallel and then do *make transiesta* will that allow me to use transiesta in parallel and what about tbtrans how to complie it for parallel in version 4.0?