From a39cef5fe123fafcd9aa50a672628749a8e30958 Mon Sep 17 00:00:00 2001 From: Akshaya Ajith Date: Thu, 23 Apr 2026 11:12:18 -0400 Subject: [PATCH] added hk matrix in output --- slakonet/main.py | 1 + 1 file changed, 1 insertion(+) diff --git a/slakonet/main.py b/slakonet/main.py index 1b30540..b636296 100644 --- a/slakonet/main.py +++ b/slakonet/main.py @@ -2207,6 +2207,7 @@ def calculate(self): "occupations": occupations, "geometry": self.geometry, "basis": self.basis, + "hk_tensor": H, } # Calculate DOS data if needed # include_dos_data=False