From 4c01765bd76591925c89ea54ed7b8c808d41b654 Mon Sep 17 00:00:00 2001
From: YuLiu98 <liuyu@stu.pku.edu.cn>
Date: Mon, 6 Jan 2025 09:44:51 +0800
Subject: [PATCH 1/2] Refactor: modify decimal digit of wfc to 8

---
 examples/hefei-namd/README         | 2 +-
 examples/wfc/README                | 4 ++--
 source/module_io/write_wfc_nao.cpp | 4 ++--
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/examples/hefei-namd/README b/examples/hefei-namd/README
index bce9977be6..14831e555e 100644
--- a/examples/hefei-namd/README
+++ b/examples/hefei-namd/README
@@ -1,3 +1,3 @@
 Example case for Hefei-NAMD. 
  If cal_syns = 1 , the maximum displacement of all atoms in one step dmax(bohr) need to be set  for calculating asynchronous overlap matrix.
- Find overlap matrix file in OUT.autotest/data-0-S and wavefunction file in OUT.autotest/LOWF_GAMMA_S1.dat .
+ Find overlap matrix file in OUT.autotest/data-0-S and wavefunction file in OUT.autotest/WFC_NAO_GAMMA1.dat .
diff --git a/examples/wfc/README b/examples/wfc/README
index c7fdcdf7b6..f8a68bb6a6 100644
--- a/examples/wfc/README
+++ b/examples/wfc/README
@@ -11,8 +11,8 @@ The wave function is output in a file called 'WAVEFUNC1.txt'
 
 For LCAO basis:
 	- set 'out_wfc_lcao' to '1'
-Several `LOWF_K_#.dat` files will be output in multi-k calculation and 
-`LOWF_GAMMA_S1.dat` in gamma-only calculation.
+Several `WFC_NAO_K#.txt` files will be output in multi-k calculation and 
+`WFC_NAO_GAMMA1.txt` in gamma-only calculation.
 
 
 For the wave functions in Real Space:
diff --git a/source/module_io/write_wfc_nao.cpp b/source/module_io/write_wfc_nao.cpp
index d2c75fe2b2..2fec6c557a 100644
--- a/source/module_io/write_wfc_nao.cpp
+++ b/source/module_io/write_wfc_nao.cpp
@@ -173,8 +173,8 @@ void wfc_nao_write2file_complex(const std::string &name, const std::complex<doub
             {
                 ModuleBase::WARNING("ModuleIO::write_wfc_nao","Can't write local orbital wave functions.");
             }
-            ofs << std::setprecision(25);
-		    ofs << ik+1 << " (index of k points)" << std::endl;
+            ofs << std::setprecision(8);
+            ofs << ik+1 << " (index of k points)" << std::endl;
 		    ofs << kvec_c.x << " " << kvec_c.y << " " << kvec_c.z << std::endl;
             ofs << nbands << " (number of bands)" << std::endl;
             ofs << nlocal << " (number of orbitals)";

From fc2637bcaaf64f31d0c8d36a7e07585a99c31464 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci-lite[bot]"
 <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
Date: Mon, 6 Jan 2025 02:22:19 +0000
Subject: [PATCH 2/2] [pre-commit.ci lite] apply automatic fixes

---
 source/module_io/write_wfc_nao.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/source/module_io/write_wfc_nao.cpp b/source/module_io/write_wfc_nao.cpp
index 2fec6c557a..be2eaac7ed 100644
--- a/source/module_io/write_wfc_nao.cpp
+++ b/source/module_io/write_wfc_nao.cpp
@@ -108,7 +108,8 @@ void wfc_nao_write2file(const std::string &name, const double* ctot, const int n
 		    	ofs << "\n" << wg(ik,i) << " (Occupations)";
                 for (int j=0; j<nlocal; j++)
                 {
-                    if (j % 5 == 0) ofs << "\n";
+                    if (j % 5 == 0) { ofs << "\n";
+}
                     ofs << ctot[i*nlocal + j] << " ";
                 }
             }
@@ -189,7 +190,8 @@ void wfc_nao_write2file_complex(const std::string &name, const std::complex<doub
 		    	ofs << "\n" << wg(ik,i) << " (Occupations)";
                 for (int j=0; j<nlocal; j++)
                 {
-                    if (j % 5 == 0) ofs << "\n";
+                    if (j % 5 == 0) { ofs << "\n";
+}
                     ofs << ctot[i*nlocal + j].real() << " " << ctot[i*nlocal + j].imag() << " ";
                 }
             }