! 
! The files in this directory are part of the SIESTA package.
!
! Copyright (c) Fundacion General Universidad Autonoma de Madrid:
! E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal
! and J.M.Soler, 1996- .
! 
! Use of this software constitutes agreement with the full conditions
! given in the SIESTA license, as signed by all legitimate users.
!
!-------------------------------------------------------------------

Automated tests for TranSiesta-TBTrans

A copy of the Tests directory is placed by the Src/obj_setup.sh script
into the compilation directory (which by default is Obj, but any number of
compilation directories can be created, as explained in the manual --
we will refer to this compilation directory as OBJDIR). The original
Tests directory should therefore be kept clean, and all the work done
in the relevant copy.

Remember that the target "transiesta" has to be specified in OBJDIR
for compilation of TranSiesta:

make transiesta

For the default mode of operation, go into any subdirectory of the
current directory (OBJDIR/Tests/TranSiesta-TBTrans) and type
'make'. This will execute a script that first runs the "electrode"
calculation, and then the "scattering region" calculation and the
TBTrans post-processing.

Reference output files can be found in directory
Tests/Reference/TranSiesta-TBTrans.

To use a different TranSiesta executable (i.e., other than the default,
which is the one compiled in OBJDIR), use:

make TS=/full/path/to/transiesta

This technique is also useful for other execution environments. For
example, to run OBJDIR/transiesta in parallel (assuming the right path
and libraries for mpirun are set):

make TS="mpirun -np 2 ../../../transiesta"

The source for TBTrans resides in Util/TBTrans. To guarantee that the
TBTrans executable is compatible with the TranSiesta executable in
OBJDIR, TBTrans is re-compiled with the appropriate settings in
OBJDIR/arch.make.  

To override the default TBTrans executable in Util/TBTrans, TBT can be
specified in the command line:

make TBT=/full/path/to/tbtrans


