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We have all these nice ansible roles that know how to install various codes & tools and might be useful on their own. However, the roles are not easy to use on their own (few people are willing/able …
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Now I am using Wannier90 for spin hall conductivity calculations. Here I want to know the numerical accuracy limit of the results in the unit of (hbar/e)*S/cm. Namely, when should I regard the result …
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The `spn` file contains:
- ``, where S is the Pauli matrix, the pseudo part.
- ` `, the augmentation part.
The pseudo part can be easily obtained. For the augmentation part, refer to [pw2wannier9…
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Dear Dr. QuanSheng Wu,
I am a user of your nice program, WannierTools.
I try to calculate magnetotransport in my material,
and to begin with, I ran the tutorial of Cu included in the "examples"…
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The example `run_automated_wannier.py` does not have a load_profile and gives the error with current aiida version.
`aiida.common.exceptions.ConfigurationError: Could not determine the current profil…
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I am a Wien2k_18.2 user. I find that the interface wien2wannier (W2W) in the installation package could be used to generate the wannier90.mmn file. This file can be used as the input for Z2Pack calcul…
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See issues: aiidalab/aiidalab-qe#135 and aiidalab/aiidalab-qe#134.
Don't allow the application to auto-choose an index of a dropdown that corresponds to a grouping header.
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https://github.com/hungpham2017/mcu/blob/bfee9348befa87afc1a826cdc630c7535f18f281/mcu/wannier90/pywannier90_vasp.py#L811
The hamiltonian from interpolate_ham_kpts() is exact conjugate of get_hamilt…
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I am in the process of learning how to use Z2Pack to determine topological invariance in complex systems and as a first exercise was trying to run various examples and tutorial problems included in th…
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## Bug description
Tried to select the Materials Cloud database provider and the application crashes with a `Error(s) during querying. Message(s) from server: - "'child' is not a known or searchabl…