README.md

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. The Lanczos algorithm for finding ground states and newly developed Lanczos-based algorithm for finite-temperature properties of these models are implemented for parallel computing (hybrid parallelization with OpenMP and MPI). A broad spectrum of users including experimental researchers is cordially welcome.

Methods

Lanczos algorithm, thermal pure quantum state, full diagonalization

Target models

Hubbard model, Heisenberg model, Kondo lattice model, Kitaev model, Kitaev-Heisenberg model, multi-orbital Hubbard model

Available physical quantities

specific heat, susceptibility, ground state energy, free energy, structure factors

Requirement

C compiler (intel, Fujitsu, GNU, etc. )
LAPACK library (intel MKL, Fujitsu, ATLAS, etc.)
MPI library (If you do not use MPI, it is not necessary.)

Install

You can install HΦ and also get a manual for HΦ from a release note.

Pre-Installed system

• System B of The Institute Solid State Physics jpint-use supercomputer (cleck here for details).

Licence

The distribution of the program package and the source codes for HPhi follow GNU General Public License version 3 (GPL v3).We hope that you cite the following references when you publish the results using HΦ (hphi):

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

“Update of HΦ: Newly added functions and methods in versions 2 and 3”, K. Ido, M. Kawamura, Y. Motoyama, K. Yoshimi, Y. Yamaji, S. Todo, N. Kawashima, and T. Misawa, Comput. Phys. Commun. 298, 109093 (2024).

Bibtex:

@article{KAWAMURA2017180, title = {Quantum lattice model solver HΦ}, journal = {Computer Physics Communications}, volume = {217}, pages = {180-192}, year = {2017}, issn = {0010-4655}, doi = {https://doi.org/10.1016/j.cpc.2017.04.006}, url = {https://www.sciencedirect.com/science/article/pii/S0010465517301200}, author = {Mitsuaki Kawamura and Kazuyoshi Yoshimi and Takahiro Misawa and Youhei Yamaji and Synge Todo and Naoki Kawashima} }

@article{ido2024update, 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}, issn = {0010-4655}, doi = {https://doi.org/10.1016/j.cpc.2024.109093}, url = {https://www.sciencedirect.com/science/article/pii/S001046552400016X}
}

Official page

• HPhi portal site
• User-Manual
• HPhi tutorial
• HPhi Gallery

Author

Youhei Yamaji, Takahiro Misawa, Synge Todo, Kota Ido, Yuichi Motoyama, Kazuyoshi Yoshimi, Mitsuaki Kawamura, Naoki Kawashima.