Generally, the transmission coefficient
t depends on the spin ([tex]\sigma[/tex]), wave vector (
k), and energy (
E), i.e.,
t([tex]\sigma[/tex],
k,
E). The commented line already tell us the meaning of each numerical data. It is already told us these results printed here for the k-point resolved spectra.
# Transmission Spectrum:: Conductance: 0.226882 uS
This line gives the value of conductance. The conductance is obtained by its relationship with the transmission coefficient at the Fermi level (i.e., [tex]\sum_{\sigma, k}t(\sigma, k, E=0[/tex]). Here, maybe the non-spin-polarized calculation was carried out, so the results only for spin up were printed out.
# Transmission Spectrum:: Conductance: 0.226882 uS
# K-Point Resolved spectra
# Energy (eV) Transmission DOS PDOS Transmission Eigenvalues
# ----------------------------------------------------------------
# WaveVector : -0.550648 -0.550648 0 1/Bohr
# Spin : Up
# ----------------------------------------------------------------
0.00000 0.000002 61.782 61.782 0.000002 6.32e-16 7.63e-20
In the last line, the first number is the energy value (i.e., here E=0.000 means the Fermi level), the 2nd number is the transmission coefficient for the wave vector (
k =(-0.550648, -0.550648, 0,) 1/Bohr, this is given in cartesian coordination and 1/Bohr is the unit.), the 3rd number is the value of total DOS, the 4th number is the value of partial DOS, and the last two ones are the transmission eigenvalues (here, only two of transmission eigenvalues were printed out.).
For your last question, you may choose data in the first line for your plot.
