From 914c6065f66758aaee3b32f62a43ae4f065ca69e Mon Sep 17 00:00:00 2001 From: Xu He Date: Fri, 17 May 2024 10:02:55 +0200 Subject: [PATCH] Update README.md --- README.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/README.md b/README.md index ab9caa6..725ee5e 100644 --- a/README.md +++ b/README.md @@ -7,6 +7,8 @@ TB2J is a open source python package for calculating the magnetic interaction parameters in Heisenberg models from DFT. It use the magnetic force theorem and take the local rigid spin rotation as a perturbation in the Green's function method. +The TB2J project is initialized in the PhyTheMa and Nanomat teams in the University of Liege. + The features include: - Calculates parameters in Heisenberg model, including isotropic exchange, anisotropic exchange, Dyzanoshinskii-Moriya interaction. - Can use the input from many DFT codes with Wannier90, e.g. Abinit, Quantum Espresso, Siesta, VASP, etc.