Getting Started

Installation
Prepare the dataset
Preprocess the dataset
Train your model
Inference with your model

Demo

Demo: DeepH study on twisted bilayer bismuthene
Demo: Reproduce the experimental results of the paper
Demo: Train the DeepH model using the ABACUS interface

Input Keywords

Input Keywords

DeepH-pack

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Installation »
SIESTA
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SIESTA

Install SIESTA package for density functional theory Hamiltonian matrix calculation to construct datasets.

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