From da78f94146f8c3c598d12249dc5b83ea1caf7693 Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Tue, 6 Dec 2022 16:59:07 +0900 Subject: [PATCH] update readme --- README.md | 31 +++++++++++++++++++++++-------- 1 file changed, 23 insertions(+), 8 deletions(-) diff --git a/README.md b/README.md index 35a6920..6cece4d 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,4 @@ -H-wave -======== +# H-wave H-wave is a program for performing unrestricted Hartree-Fock (UHF) approximation for itinerant electron systems. @@ -10,25 +9,40 @@ H-wave treats two types of UHF approximation: one is real-space and the other is wavenumber-space UHF methods using translational symmetry. In the wavenumber space UHF method, the input file defining the one-body and two-body interactions is based on the Wannier90 format, and the program can be smoothly connected to -the softwares for deriving effective models from first-principles calculations. +the softwares for deriving effective models from first-principles calculations. + +## Methods -### Methods Hartree-Fock approximation -### Target models +## Target models + Hubbard model, multi-orbital Hubbard model -### Available physical quantities +## Available physical quantities + ground-state energy, free energy, etc. ## Requirement + Python3 with numpy, scipy, and other library packages ## Install -You can install H-wave and also get a manual for H-wave from a -[release page](https://github.com/issp-center-dev/H-wave/releases). + +- From PyPI + +``` bash +python3 -m pip install hwave +``` + +- From source (if you modify the program) + +``` bash +python3 -m pip install DIRECTORY_OF_THE_REPOSITORY +``` ## License + The distribution of the program package and the source codes for H-wave follow GNU General Public License version 3 ([GPL v3](https://www.gnu.org/licenses/gpl-3.0.en.html)). @@ -46,6 +60,7 @@ of The Institute for Solid State Physics, The University of Tokyo. - [User Manual](https://www.pasums.issp.u-tokyo.ac.jp/h-wave/en/doc/manual) ## Authors + Kazuyoshi Yoshimi, Yuichi Motoyama, Tatsumi Aoyama,