From 204c1f9bcdb3ed6f0bdd9b48c5634a6a46a8ec0f Mon Sep 17 00:00:00 2001
From: Xudong Zhu <55775434+xdzhu@users.noreply.github.com>
Date: Fri, 14 Jun 2024 09:25:59 +0800
Subject: [PATCH] fix the output format in aveElecStatPot.py (#4367)

* Convert the unit of the average electrostatic potential to eV and also save the results in Ry, and modify the script for calculating and plotting the average electrostatic potential to automatically plot the figure.

* fix the output format in aveElecStatPot.py
---
 tools/average_pot/aveElecStatPot.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/average_pot/aveElecStatPot.py b/tools/average_pot/aveElecStatPot.py
index b39a19cc79..60bc1804ac 100644
--- a/tools/average_pot/aveElecStatPot.py
+++ b/tools/average_pot/aveElecStatPot.py
@@ -64,7 +64,7 @@
     
     output.write("iz\t\t Average(Ry)\t\t z(Angstrom)\t\t Average(eV)\n")
     for iz in range(nz):
-        output.write("{:<7d}\t{:>16.9e}\t{:>16.9e}\t{:>16.9e}\n".format(iz, z_Ang[iz], average[iz], average_eV[iz]))
+        output.write("{:<7d}\t{:>16.9e}\t{:>16.9e}\t{:>16.9e}\n".format(iz, average[iz], z_Ang[iz], average_eV[iz]))
 
 
 z_values = z_Ang