Author Topic: plot the k-point dependent transmission coefficients at the Fermi level  (Read 3662 times)

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Offline Jahangiri

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Dear users and Developers

I am trying to do calculation according to the tutorial which is offered by Quantum wise site.
The tutorial is "Tutorial_GoldMonowire.pdf". Everything goes well till when I want to plot "the k-point dependent transmission coefficients at the Fermi level"  and I get the following error :

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Traceback (most recent call last):
  File "<string>", line 19, in ?
  File "./site-packages/pylab.py", line 1, in ?
  File "./site-packages/matplotlib/pylab.py", line 204, in ?
  File "./site-packages/matplotlib/backends/__init__.py", line 55, in ?
  File "./site-packages/matplotlib/backends/__init__.py", line 24, in pylab_setup
  File "./site-packages/matplotlib/backends/backend_tkagg.py", line 7, in ?
  File "./lib-tk/Tkinter.py", line 38, in ?
ImportError: libtk8.4.so: cannot open shared object file: No such file or directory
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

Can anyone let me know please, what is the problem ?

Best regards
Akbar Jahangiri

Offline Jahangiri

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Dear users and Developers

The problem was with tcl/tk. I have installed tk on system and that error is over now.
But I get another one.

+++++++++++++++++++++++++++++++++++++++++++++++
File "plot_k_transmission.py", line 14, in ?
    trans_coeff = calculateTransmissionCoefficients(scf,energy,K)
KeyError: 'Electrode'
Traceback (most recent call last):
  File "<string>", line 14, in ?
KeyError: 'Electrode'
Traceback (most recent call last):
  File "<string>", line 14, in ?
KeyError: 'Electrode'
Traceback (most recent call last):
  File "<string>", line 14, in ?
KeyError: 'Electrode'
+++++++++++++++++++++++++++++++++++++++++++

what can be the problem?
Thank you in advance

Best regards
Akbar

Offline Nordland

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Which version are you running?

Offline Jahangiri

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Dear Nordland

The version is "ATK 2008.10.0"

Thank you
Akbar

Offline Anders Blom

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Looks like the scf object your restored from the NC file is not a two-probe calculation.