QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: HIMANI on September 21, 2016, 08:06

Title: problem with plotting bandstructure
Post by: HIMANI 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.

Title: Re: problem with plotting bandstructure
Post by: Ulrik G. Vej-Hansen on September 21, 2016, 09:06

Please provide your script and/or the .nc file with the bandstructure you wish to plot

Title: Re: problem with plotting bandstructure
Post by: HIMANI on September 21, 2016, 09:39

THIS IS THE INPUT AND OUPUT FILE

Title: Re: problem with plotting bandstructure
Post by: Jess Wellendorff 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).

Title: Re: problem with plotting bandstructure
Post by: puspa raj adhikari on September 24, 2016, 08:31

sir i have also problem on bandstructure? how can i fix run time error?

Title: Re: problem with plotting bandstructure
Post by: Petr Khomyakov on September 24, 2016, 21:31

Could you describe your problem in more detail?