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DeePTB  documentation - Home DeePTB  documentation - Home

Quick Start

  • Installation Guide
  • Brief Intro. to Inputs and Commands
  • Quick Examples
    • Tutorial 1: deeptb-sk baseline model
    • Tutorial 2: data preparation for deeptb-sk model
    • Tutorial 3: Training deeptb-sk model for Silicon
    • Tutorial 4: Training deeptb-e3 model for Silicon
    • Tutorial 5: 使用 DeePTB 模型结合 TBPLaS 计算材料电学性质
  • APIs
    • Basic API
    • Exporting DeePTB Models to External Tools (PythTB)
    • Export DeePTB to Wannier90 files

INPUT TAG

  • Full Input Parameters
    • Common Options
    • Train Options
    • Model Options
    • Data Options
    • Run Options
    • Set Info

Advanced

  • DeePTB-SK Advanced
    • DFTB SK Files to DeePTB Model
    • Environment-dependent TB
    • NRL-TB paramererization
    • Spin-orbit coupling
  • DeePTB-E3 Advanced
    • More on Input Parameters
    • Data Preparation
    • Loss Analysis
  • Electronic Properties and Outputs
    • Band structure
  • Interfaces to Other Softwares
    • TBPLAS
    • TBtrans

Citing DeePTB

  • How to Cite

Developing Team

  • Development Team

Community

  • DeePTB Contribution Guide
  • Contributing to DeePTB
  • .rst

DeePTB-E3 Advanced

DeePTB-E3 Advanced#

Examples

  • More on Input Parameters
  • Data Preparation
  • Loss Analysis

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More on Input Parameters

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