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Dear all,
I have two questions.
Could you give me some advice?
(1) When considering spin-orbit in t2g system, I create a Hamiltonian in the following order.
Is the order correct?
- |xy,↑>
- …
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When we release a new version, if we bump to 3.0, it might be a good occasion to change some of the defaults when needed.
Things that we could do:
- [x] use_ws_distance to True by default
(Add …
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+ Implement constrained centres approach of Marianetti et al.
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Dear all,
As far as I know, it's not currently possible to 're-use' the .amn file when changing the projections -- which means the first-principles code needs to be re-run. Since this can take a lo…
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move to `bento/ubuntu-18.04` as the base image.
This currently fails because the `vbguest` plugin tries to install packages that aren't available in 18.04
```
[default] GuestAdditions versions on…
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[Originally reported by @rmargine]
The fix in #170 has still some issues.
The idea in #170: setting `num_bands` before to the correct number of bands (https://github.com/wannier-developers/wanni…
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Sometimes during build, the sources are corrupted or not properly downloaded. In order to mitigate this issue we can perform an md5sum check on the downloaded sources.
As a first step I am attaching …
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In the current develop, there is a problem with disentanglement with the attached (self-contained) inputs:
[strange_example.tar.gz](https://github.com/wannier-developers/wannier90/files/2223994/stran…
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From: @jimustafa and pull-request #189
"This brings up the question of how to deal with whitespace. It is common practice to exclude trailing whitespace, usually by configuring the text editor to tr…
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We should add more tests (see also the wiki page https://github.com/wannier-developers/wannier90/wiki/TestSuiteIdeas)