This directory contains several utilities related to TranSIESTA.
Scripts to help generate input fdf files and do transmission
analysis are located here.

Unless otherwise stated all programs/utilities have been developed
by:
  Nick Papior, nickpapior<at>gmail.com

- tselecs.sh
  This small scripts eases the creation of several electrodes
  input. It can also be used to initialize a script for TranSIESTA.
  Call with:
    tselecs.sh -2
  to generate a default input FDF for TranSIESTA which defaults
  to the old versions implementation.

- TBtrans
  this directory contains the TBtrans utility which is used for 
  calculating the transmission and other quantities from the 
  TSHS files output from TranSIESTA.

  It also reads NetCDF4 files created by the community utility:
    github.com/zerothi/sids


- ts2ts
  A small utility which takes an old input file for TranSIESTA
  and converts it into the new input format.
  First make the utility in the folder and then you can utilise it as:
    ts2ts <fdf-file> 
  and it will print out a converted fdf-input file.
  It is made for piping directly into another file.

  Easy usage will append to the FDF file:
    ts2ts run.fdf >> run.fdf

  REMARK: It will only read in TranSIESTA/TBtrans options and thus
          also only print TranSIESTA/TBtrans options. 
	  It will not copy any other FDF-flags.

- tshs2tshs
  Converts TSHS files to other version files.
  Currently there exists two file versions:
   0 : old TSHS format (compatible with all programs)
   1 : new TSHS format (not compatible with all programs), but 
       have a drastic memory decrease  

- TB
  *DEPRECATED* Use github.com/zerothi/sids instead
  This directory contains two modules:

  * tbt_data.py
    Allows easy extraction of TBtrans data from the NetCDF files.

    Notice that one should import this file in to their projects
    to easily get data from the NetCDF files in a consistent manner.
    
  * tbt_tb.py
    Allows creation of tight-binding models in Python to make them
    interfaced to TBtrans.
    If you run tbt_tb.py it will produce a few examples as given in
    the Examples folder.

    Notice that one should import this file in to their projects
    and do other fancy things outside of that file.

  * pht_tb.py
    Creation of PHtrans files to calculate phonon transport.

    This is an extension of tbt_tb.py

    It currently can convert GULP output to input for 
    phtrans.    
