QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Jahangiri on July 6, 2010, 11:09
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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 :
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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
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Can anyone let me know please, what is the problem ?
Best regards
Akbar 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.
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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'
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what can be the problem?
Thank you in advance
Best regards
Akbar
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Which version are you running?
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Dear Nordland
The version is "ATK 2008.10.0"
Thank you
Akbar
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Looks like the scf object your restored from the NC file is not a two-probe calculation.