Author Topic: problem with plotting bandstructure  (Read 4189 times)

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Offline HIMANI

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problem with plotting bandstructure
« on: September 21, 2016, 08:06 »
hello sir,
i am encountering this problem while plotting bandstructure



The route must have at least two points, but only has one.

Traceback (most recent call last):
  File "./zipdir/NL/GUI/MainWindow/LabFloor/LabFloorModel.py", line 239, in load
  File "/home/netlab2/QuantumWise/VNL-ATK-2015.1/lib/python2.7/site-packages/AddOns/QuantumEspressoPlugins/OutputFilters/OutputLabFloorPlugin.py", line 116, in load
    data = readBandstructure(filename)
  File "/home/netlab2/QuantumWise/VNL-ATK-2015.1/lib/python2.7/site-packages/AddOns/QuantumEspressoPlugins/OutputFilters/BandstructureReader.py", line 158, in readBandstructure
    route_segments = combinedRoutes(route)
  File "./zipdir/NL/Analysis/BaseBandstructure.py", line 451, in combinedRoutes
  File "./zipdir/NL/Analysis/BaseBandstructure.py", line 434, in singleRoute
NLValueError: The route must have at least two points, but only has one.

Offline Ulrik G. Vej-Hansen

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Re: problem with plotting bandstructure
« Reply #1 on: September 21, 2016, 09:06 »
Please provide your script and/or the .nc file with the bandstructure you wish to plot

Offline HIMANI

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Re: problem with plotting bandstructure
« Reply #2 on: September 21, 2016, 09:39 »
THIS IS THE INPUT AND OUPUT FILE

Offline Jess Wellendorff

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Re: problem with plotting bandstructure
« Reply #3 on: September 21, 2016, 13:16 »
I have attached ESPRESSO input files for the SCF and for the band structure calculation. Please note how the k-point route is set up (using "crystal_b" coordinates).

Offline puspa raj adhikari

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Re: problem with plotting bandstructure
« Reply #4 on: September 24, 2016, 08:31 »
sir i have also problem on bandstructure? how can i fix run time error?

Offline Petr Khomyakov

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Re: problem with plotting bandstructure
« Reply #5 on: September 24, 2016, 21:31 »
Could you describe your problem in more detail?