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I am trying to setup a system from TB model built using wannier90 and I am getting this error can anyone help:
![image](https://github.com/user-attachments/assets/2d8a2d39-9d15-446c-bbf5-004f90cceeba…
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Dear Wannier90 developers and users,
I've been doing Wannier calculations for monolayer h-BN. It went well up to 36x36x1 k-grid, but as I increase the k-mesh to 48x48x1, it gives the following erro…
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Was using 3.1.0 release.
`make install` does install the library file libwannier.a.
Q1 Is this with MPI or without? Or maybe there is no bits in libwannier.a at all?
The major issue is w90_io.m…
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- Provide the theoretical framework and mathematical formalism that the code is based on, including the use of plane-wave basis sets and pseudopotentials.
- Develop a Block Davidson algorithm for sol…
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Hello,
I'm trying to fix the WF positions using the SLWF method within wannier90. Yet, they always ended up fixed at the "0.0 0.0 0.0" even if I use the slwf_centres block to put them somewhere els…
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Hello,
I was trying to work through the example of TaAs, but when I follow the README.txt, I don't seem to be able to create a plot of the band structure or the location of the Weyl points. Any cha…
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Dear Users:
The output of bandstructure is not consistent to ARPES .wt.in file is given below,both files are generated from wannier Tool.
&TB_FILE
Hrfile = 'wannier90_hr.dat'
Package = 'VASP' …
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Now the `Wannier90BandsWorkChain` in the [opengrid branch](https://github.com/aiidateam/aiida-wannier90-workflows/tree/opengrid) supports spin-orbit-coupling (SOC) calculations.
Some prerequisites…
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Dear developers:
According to the tutorial of https://dmftwdft-project.github.io/DMFTwDFT, I compiled DMFTwDFT based on Python/2.7.9 and Wannier90/2.0.0. No error was reported during compilation…
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I would like to get the Hamiltonian of the output, does this package support such function? Can someone give me some instruction?