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H-wave Users Guide 1.0.1 documentation
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  • 1. What is H-wave?
  • 2. Basic usage
  • 3. Coordinate-space UHF (UHFr)
    • 3.1. Tutorial
    • 3.2. File specifications
      • 3.2.1. Parameter file
      • 3.2.2. Input files for UHFr
        • Trans file
        • InterAll file
        • CoulombIntra file
        • CoulombInter file
        • Hund file
        • PairHop file
        • Exchange file
        • Ising file
        • PairLift file
        • Initial file
        • OneBodyG file
      • 3.2.3. Output files for UHFr
        • Energy
        • eigen
        • green
  • 4. Wave-number space UHF (UHFk)
    • 4.1. Tutorial
    • 4.2. File specifications
      • 4.2.1. Parameter files
      • 4.2.2. Input files for UHFk
        • Geometry input file
        • Interaction definition files
      • 4.2.3. Output files of UHFk
        • energy
        • eigen
        • green
  • 5. Random Phase Approximation (RPA)
    • 5.1. Tutorial
    • 5.2. File specifications
      • 5.2.1. Parameter files
      • 5.2.2. Input files for RPA
        • Geometry input file
        • Interaction definition files
      • 5.2.3. Output files of RPA
        • chiq and chi0q
        • Data format of chi0q
        • Data format of chiq
        • Example for reading data
  • 6. Algorithms
    • 6.1. Unrestricted Hartree-Fock method
    • 6.2. Random Phase Approximation
  • 7. Acknowledgments
  • 8. Appendix
    • 8.1. Generation of interaction files using StdFace library
    • 8.2. List of error messages
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3. Coordinate-space UHF (UHFr)ΒΆ

  • 3.1. Tutorial
    • 3.1.1. Create a parameter file
    • 3.1.2. Create definition files for Hamiltonian
    • 3.1.3. Specify output components
    • 3.1.4. Run
  • 3.2. File specifications
    • 3.2.1. Parameter file
    • 3.2.2. Input files for UHFr
    • 3.2.3. Output files for UHFr
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