HPhi

issp-center-dev / HPhi

量子格子模型のための大規模厳密対角化・数値ソルバー

強相関電子系・有効模型CGPL-3.0

104 30 26 未解決 issue / PR更新: 2026-10-13

概要

Quantum Lattice Model Simulator Package

典型的な利用シーン

スピン・電子模型の基底状態を計算したい
動的相関関数（スペクトル）を求めたい
大規模並列計算で厳密対角化を行いたい

想定ユーザー

物性研究者大学院生計算科学ソフトウェア開発者

分野

quantum-lattice-modelcondensed-matter

Quick Start

このソフトウェアには Quickstart / チュートリアルが用意されています。

📖 ドキュメント 🧪 Examples / Tutorial 💻 リポジトリを開く

README

HΦ

A numerical solver package for a wide range of quantum lattice models including Hubbard-type itinerant electron hamiltonians, quantum spin models, and Kondo-type hamiltonians for itinerant electrons coupled with quantum spins.

Features

High-performance parallel computing: Hybrid parallelization with OpenMP and MPI
Multiple solvers: Lanczos algorithm, LOBPCG, thermal pure quantum (TPQ) state, full diagonalization
Wide range of models: Hubbard, Heisenberg, Kondo, Kitaev, multi-orbital systems
Rich output: Ground state energy, free energy, specific heat, susceptibility, structure factors

Quick Start

Requirements

C compiler (Intel, GCC, Fujitsu, etc.)
LAPACK library (Intel MKL, OpenBLAS, etc.)
MPI library (optional, for parallel computation)

Installation

# Clone the repository
git clone https://github.com/issp-center-dev/HPhi.git
cd HPhi

# Build with CMake
mkdir build && cd build
cmake ..
make -j4

# Run tests
ctest

For detailed installation instructions, see the release notes.

Basic Usage

# Generate input files using StdFace
HPhi -s input.in

# Or run directly with expert mode
HPhi -e namelist.def

Supported Models

Model Type	Examples
Hubbard	Single-band, multi-orbital Hubbard models
Spin	Heisenberg, XY, Ising, Kitaev, Kitaev-Heisenberg
Kondo	Kondo lattice model
t-J	t-J model
Spinless Fermion	Spinless fermion models

Methods

Method	Description
Lanczos	Ground state and low-lying excited states
LOBPCG	Block Lanczos for multiple eigenvalues
TPQ	Finite-temperature properties via thermal pure quantum states
Full Diagonalization	All eigenvalues for small systems
Real-time Evolution	Time-dependent simulations

Documentation

Pre-installed Systems

System B at The Institute for Solid State Physics (ISSP), The University of Tokyo (details)

Citation

If you use HΦ in your research, please cite:

Version 1:

M. Kawamura, K. Yoshimi, T. Misawa, Y. Yamaji, S. Todo, and N. Kawashima, "Quantum lattice model solver HΦ", Computer Physics Communications 217, 180 (2017)

Versions 2 & 3:

K. Ido, M. Kawamura, Y. Motoyama, K. Yoshimi, Y. Yamaji, S. Todo, N. Kawashima, and T. Misawa, "Update of HΦ: Newly added functions and methods in versions 2 and 3", Computer Physics Communications 298, 109093 (2024)

BibTeX

@article{KAWAMURA2017180,
  title   = {Quantum lattice model solver {H$\Phi$}},
  author  = {Mitsuaki Kawamura and Kazuyoshi Yoshimi and Takahiro Misawa and
             Youhei Yamaji and Synge Todo and Naoki Kawashima},
  journal = {Computer Physics Communications},
  volume  = {217},
  pages   = {180--192},
  year    = {2017},
  doi     = {10.1016/j.cpc.2017.04.006}
}

@article{IDO2024109093,
  title   = {Update of {$\mathcal{H}\Phi$}: Newly added functions and methods in versions 2 and 3},
  author  = {Kota Ido and Mitsuaki Kawamura and Yuichi Motoyama and
             Kazuyoshi Yoshimi and Youhei Yamaji and Synge Todo and
             Naoki Kawashima and Takahiro Misawa},
  journal = {Computer Physics Communications},
  volume  = {298},
  pages   = {109093},
  year    = {2024},
  doi     = {10.1016/j.cpc.2024.109093}
}