HopTB.jl
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HopTB
How to get started with HopTB?
Dear Developers,
I am trying to get a band structure using HopTB, and I already have Hamiltonian from DeepH. I would also like to be able to use other calculated modules. Could you please tell me how to prepare the input file and run the program? I will be grateful.
Best regards, Yang
The following file is an example that converts the Hamiltonian in the DeepH format of monolayer GeS into the TBModel type of HopTB.jl and performs shift current calculation using HopTB.jl (should be same as Fig. 1c of this paper). Hope it helps you.
Hi, I'm recently following the example of converting the DeepH Hamiltonian to TBModel, but I just noticed that I don't have such a file named "position.h5". Is there a convenient way to get that file? Thanks! @mzjb
Also, if there exists a way to convert the TBModel to a file that wanniertools can read, that would be better!
Hi, I'm recently following the example of converting the DeepH Hamiltonian to TBModel, but I just noticed that I don't have such a file named "position.h5". Is there a convenient way to get that file? Thanks! @mzjb [openmx_get_data.jl.zip
You can use this openmx_get_data.jl file instead of the one in the DeepH-pack repository to obtain the positions.h5 file.
Hello developer, I recently tried to repeat this example. I trained deepH with ABACUS-3.7.3, but when predicting the Hamiltonian with deepH, the file "positions.h5" could not be generated, even though "out_mat_r" and "out_mat_hs2" were set in ABACUS. Is there any way to solve this problem? Thanks! @mzjb
Hello developer, I recently tried to repeat this example. I trained deepH with ABACUS-3.7.3, but when predicting the Hamiltonian with deepH, the file "positions.h5" could not be generated, even though "out_mat_r" and "out_mat_hs2" were set in ABACUS. Is there any way to solve this problem? Thanks! @mzjb
https://github.com/mzjb/DeepH-pack/blob/141faaaba1d5e17248283ef939bcd2ead2d8e677/deeph/preprocess/abacus_get_data.py#L329