From 44aa3c148d331d316c232ed25d002a65584949f9 Mon Sep 17 00:00:00 2001
From: Timothy Callow <timjcallow@gmail.com>
Date: Tue, 10 Oct 2023 16:11:04 +0200
Subject: [PATCH] Allow convergence after 2 scf cycles

---
 atoMEC/convergence.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/atoMEC/convergence.py b/atoMEC/convergence.py
index 130e8ff..83fe86b 100644
--- a/atoMEC/convergence.py
+++ b/atoMEC/convergence.py
@@ -104,7 +104,7 @@ def check_conv(self, E_free, pot, dens, iscf):
         conv_pot = False
         conv_vals["complete"] = False
 
-        if iscf > 3:
+        if iscf > 1:
             if conv_vals["dE"] < config.conv_params["econv"]:
                 conv_energy = True
             if np.all(conv_vals["drho"] < config.conv_params["nconv"]):