Comments (3)
dean0x7d
commented on July 28, 2024
Thank you for reporting the issue. Indeed, it seems to be a bug in the Brillouin zone calculation, specifically in cases where the angle between lattice vectors is obtuse. I have just committed some changes in a3aee7f which should make this calculation more robust and fix the problem.
That fix is committed in the master branch, so you would need to compile the latest version from source code. This can be a bit more complicated than the normal install, but instruction on how to do that are here: Compiling from source. Note that the documentation has two versions: 1. stable (currently v0.8.0) and 2. latest (following the master branch).
Alternatively, you can wait for the release of the next version (v0.8.1) which will use the regular install procedure. I'm planning to add a few more bug fixes and release that soon.
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obgeneralao
commented on July 28, 2024
Terrific! it works.
Though I did not compile it from source because I am getting a lot of errors, I am using Anaconda though. What I did was copy the lattice.py to Anaconda.
I appreciate it.
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dean0x7d
commented on July 28, 2024
Great, I'm glad to hear that it works!
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