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Hi, jaroli ,
When I follow the example (Usage with CASTEP part) and use "./emc.py input_el NbFeSb.electrons.bands" to obtain the effective mass for the desired band, echo the error as belw:
_**.…
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Python prototyping environment that makes use of Euphonic.
Take a force constant matrix (more specifically a coarse q-point grid, e.g. from DFPT CASTEP phonons), use Fourier interpolation to genera…
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In GitLab by @albapa on May 20, 2019, 14:46
Editing an already uploaded item fails with the error message:
ERROR: Page not Found | CCP-NC window.addEventListener("load", function(){ w…
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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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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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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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It complains about missing `Si8.json`. Is this file forgot to be added to the repository? @ajjackson
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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…