From 0b13e5467c988d2ec5a0b55fbe0a25ee2bd2543c Mon Sep 17 00:00:00 2001 From: RemiHelleboid Date: Thu, 8 Feb 2024 16:20:28 +0100 Subject: [PATCH] up --- README.md | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 9aefccb..c6ae77b 100644 --- a/README.md +++ b/README.md @@ -18,7 +18,13 @@ This repository was initially a fork from : [EmpiricalPseudopotential](https://g ## Features -You can do three types of calculations: +You can do four types of calculations: +- __Band structure over a path of high-symmetry points__ in the Brillouin zone. +- __Band structure over all k-points__ of an input mesh of the Brillouin Zone (or a fraction of it). +- __Density of states__ over the all Brillouin Zone. +- __Dielectric function__ computation (q-dependent). + +--- __Compute the electronic band structure over a path of high-symmetry points (e.g. $L \Gamma XWKULWXK \Gamma$) for a given material, and plot the results.__