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This issue is a final comment on my minor distraction in #14, to move the discussion here. It likely has a lot of overlap with @ThisIsMissEm's FIRES proposal.
The FediBlock hashtag has emerged as t…
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**Is your feature request related to a problem? Please describe.**
See https://github.com/aiidateam/aiida-quantumespresso/issues/887
The main issue is the fact that `nbnd` is set to the "current…
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I've been analyzing template matching results on ribosomes for a large number of micrographs, and a fairly consistent issue I've been seeing is a large band of high intensity near the edges of the MIP…
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Hello,
One of our users is trying to plot a band structure using Abipy:
```python
from abipy.abilab import abiopen
import abipy.data as abidata
filename="big_GSR.nc"
with abiopen(filename)…
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One of the challenges is separating out how to describe the structure of our operators that we can exploit, and so lots of the solvers reach into the `dg.grid` to find out this stuff. It would be nice…
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Hello, I downloaded the database name "dft_3d" and randomly calculated the MBJ band gaps of 100 structures for testing. However, the mean absulute error between the MBJ band gaps calculated by me and …
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I saw on https://ai.google.dev/pricing for the latest Gemini models they have 2 different bands of pricing rules, based on the length
To support this, the pricing logic and data structure might need…
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I am a beginner who is struggling to compute the band structure of SiGe superlattice. Any examples or places to help? Thank you so much!
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Typically, a matbench model would be considered an "output" of the study.
However, let's say you are trying to create a model that relates crystal structure to band gap. You could of course have th…
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Dear Jonathan,
Your VASP+Wannier90 examples are really of great help to me. I have a question on the band structure plotted by Wannier90. Maybe you can kindly give me some hints.
The user guid…