From 7b53682f59cc56c2b9ee0b674234673263afa67a Mon Sep 17 00:00:00 2001
From: wenfei-li <liwenfei@gmail.com>
Date: Tue, 9 Aug 2022 14:12:34 +0800
Subject: [PATCH] fix : increase mxr in Ewald, in case someone uses a very
 small unitcell

---
 source/src_pw/H_Ewald_pw.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/source/src_pw/H_Ewald_pw.cpp b/source/src_pw/H_Ewald_pw.cpp
index 7bd05ac494..dae6a62b37 100644
--- a/source/src_pw/H_Ewald_pw.cpp
+++ b/source/src_pw/H_Ewald_pw.cpp
@@ -7,7 +7,7 @@
 #include "../src_pw/global.h"
 
 double H_Ewald_pw::alpha=0.0;
-int H_Ewald_pw::mxr = 50;
+int H_Ewald_pw::mxr = 200;
 double H_Ewald_pw::ewald_energy=0.0;
 
 H_Ewald_pw::H_Ewald_pw(){};