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See e.g. the bottom of the homepage, where [in the code](https://github.com/aiidateam/aiida-common-workflows/blob/master/docs/source/index.rst) there is the correct citation, but it's not visible in t…
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It complains about missing `Si8.json`. Is this file forgot to be added to the repository? @ajjackson
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This is part of the review at openjournals/joss-reviews#2563
There are quite a lot of examples, which is really nice. I was trying to run the examples on mybinder, and I get the feeling that they a…
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In the Materials Studio page, maybe add instructions for CASTEP only. See OTRS ticket 095820.
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Hi Matthew,
I am facing issue regarding bandgap energy by using matador. I am trying calculate electronic band structure of 2D GeN3 monolayer. I tried different potentials and also se…
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Hi Matthew,
I am using matador 0.9.7 along with castep 19.11 for phonon calculations of 2D materials. But i am stuck in phonon calculations. Could you please help me in this regard.
1) Firstly, I …
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Hi Dear Matthew Evans,
I hope you would be fine and enjoying good health. I have a little query regarding projected band structure. Is it possible to use Matador code for Materials Stu…
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Hi Matthew,
Is it possible to use grid values for band structure and DOS calculations in .cell file. I tried in following manner but its not working.
kpoints_mp_grid: 4 4 4
spectral…
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Hello, does the `sumo-bandstats` work with CASTEP?
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Please check these boxes before submitting your issue, thank you!
- [x] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else
- [x] if you are installing from the…