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HopTB / HopTB.jl

Tight-binding package written in Julia
MIT License
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How to get started with HopTB? #7

Open sgyang345 opened 1 year ago

sgyang345 commented 1 year ago

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

Graphene_1x1.zip

atbug commented 1 year ago

@mzjb

mzjb commented 1 year ago

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.

GeS_shift_current.zip

iduygnay commented 5 months ago

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

iduygnay commented 5 months ago

Also, if there exists a way to convert the TBModel to a file that wanniertools can read, that would be better!

mzjb commented 5 months ago

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.