Recently, I face to a strange problem and after I relaxed the two-probe system, and calculated its transmission and energy level, it shows like:
-2.00 0.0000
-1.99 0.0000
-1.98 0.0000
-1.97 0.0000
-1.96 0.0000
-1.95 0.0000
-1.94 0.0000
-1.93 0.0000
-1.92 0.0000
-1.91 0.0000
-1.90 0.0000
-1.89 0.0000
-1.88 0.0000
-1.87 0.0000
-1.86 0.0000
-1.85 0.0000
-1.84 0.0000
-1.83 0.0000
-1.82 0.0000
-1.81 0.0000
-1.80 0.0000
-1.79 0.0000
-1.78 0.0000
-1.77 0.0000
-1.76 0.0000
......
1.91 0.0000
1.92 0.0000
1.93 0.0000
1.94 0.0000
1.95 0.0000
1.96 0.0000
1.97 0.0000
1.98 0.0000
1.99 0.0000
2.00 0.0000
and the energy level:
# -----------------------------------------------------------------------------
# Energy Spectrum
# -----------------------------------------------------------------------------
# Energy (eV)
-4396.36
-4390.27
-4384.25
-4376.04
-4371.64
-4366.54
-4365.30
-4363.47
-4362.17
-4361.41
-4359.66
-4359.01
-4358.58
-4358.01
-4354.00
-4349.05
-4345.41
-4341.87
-4340.59
-4333.43
-4331.80
-4324.20
-4317.41
-4316.14
-4303.11
......
why? how to solve it?
I checked carefully the configuration and it is correct!
Thanks!
