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SMTG-Bham / sumo

Heavyweight plotting tools for ab initio calculations
https://smtg-bham.github.io/sumo/
MIT License
192 stars 78 forks source link

sumo-bandplot error: KeyError: 'sumo.plotting/orbital_colours.conf' #77

Open Anower120 opened 5 years ago

Anower120 commented 5 years ago

Hi Dr. Alex, I am having issues with the sumo-bandplot. It gives ["orbital_couloyrs.conf", errors as follows: Traceback (most recent call last): File "/lustre/home/mdhossa55/anaconda3/bin/sumo-bandplot", line 11, in load_entry_point('sumo==1.2.0', 'console_scripts', 'sumo-bandplot')() File "/lustre/home/mdhossa55/anaconda3/lib/python3.6/site-packages/sumo-1.2.0-py3.6.egg/sumo/cli/bandplot.py", line 521, in File "/lustre/home/mdhossa55/anaconda3/lib/python3.6/site-packages/pkg_resources/init.py", line 1143, in resource_filen self, resource_name File "/lustre/home/mdhossa55/anaconda3/lib/python3.6/site-packages/pkg_resources/init.py", line 1650, in get_resource_f return self._extract_resource(manager, zip_path) File "/lustre/home/mdhossa55/anaconda3/lib/python3.6/site-packages/pkg_resources/init.py", line 1671, in _extract_resou timestamp, size = self._get_date_and_size(self.zipinfo[zip_path]) OUTCAR.gz

KeyError: 'sumo.plotting/orbital_colours.conf'

How may I get around this orbital_colours.conf error? I have added my vasprun, OUTCAR and KPOINTS files for your kind supports. Thank you.

Kind regards, Anower

Anower120 commented 5 years ago

looks like vasprun file was bigger than 10MB, and failed to upload. I will send those to you via email. Thank you,

utf commented 5 years ago

What is the command you are using to plot?

Anower120 commented 5 years ago

What is the command you are using to plot?

I used sumo-bandplot as the command for plotting the band structure.

Anower120 commented 5 years ago

Is there any solution for the sumo-bandplot related error: 'sumo.plotting/orbital_colours.conf'? Thank you.

ajjackson commented 5 years ago

It's not one I've seen before, and it could be related to the Pip packaging (i.e. invisible to people using developer installation!) Can you tell us how you installed Sumo? Has bandplot worked for you in the past or is the first time you've used it?

Anower120 commented 5 years ago

Thank you for this reply. As suggested in the README file, I used the pip3 command, "pip3 install --user sumo" for installation of SUMO. The sumo-bandplot works for other calculations but does not work for the sent vasprun.

Would you recommend whether I should install the developer version as well and see whether it gives the same error? Thank you.

muhammadaliaskari commented 3 years ago

Hi, Is it possible to plot projected band structure of a composite having more than 3 different atoms?

--mode stacked option does not work for me...