Feature: support the output of matrix representation of symm_ops (#6390)

* Feature: support output the matrix representation of symmetry operation

* Feature: support the output of matrix representation of symm_ops

* update the document

Author: kirk0830

docs/advanced/input_files/input-main.md

@@ -8,6 +8,7 @@
     - [symmetry](#symmetry)
     - [symmetry\_prec](#symmetry_prec)
     - [symmetry\_autoclose](#symmetry_autoclose)
+    - [cal_symm_repr](#cal_symm_repr)
     - [kpar](#kpar)
     - [bndpar](#bndpar)
     - [latname](#latname)
@@ -562,6 +563,11 @@ These variables are used to control general system parameters.
   - True: automatically set symmetry to 0 and continue running without symmetry analysis
 - **Default**: True
 
+### cal_symm_repr
+- **Type**: Integer [Integer]\(optional\)
+- **Description**: Whether to print the matrix representation of symmetry operation to running log file. If the first value is given as 1, then all matrix representations will be printed. The second optional parameter controls the precision (number of digits) to print, default is 3, which is enough for a quick check.
+- **Default**: 1 3
+
 ### kpar
 
 - **Type**: Integer

source/source_cell/k_vector_utils.cpp

@@ -486,15 +486,9 @@ void kvec_ibz_kpoint(K_Vectors& kv,
                           ucell.atoms,
                           false,
                           nullptr);
-        ModuleBase::Matrix3 b_optlat_new(recip_vec1.x,
-                                         recip_vec1.y,
-                                         recip_vec1.z,
-                                         recip_vec2.x,
-                                         recip_vec2.y,
-                                         recip_vec2.z,
-                                         recip_vec3.x,
-                                         recip_vec3.y,
-                                         recip_vec3.z);
+        ModuleBase::Matrix3 b_optlat_new(recip_vec1.x, recip_vec1.y, recip_vec1.z,
+                                         recip_vec2.x, recip_vec2.y, recip_vec2.z,
+                                         recip_vec3.x, recip_vec3.y, recip_vec3.z);
         // set the crystal point-group symmetry operation
         symm.setgroup(bsymop, bnop, recip_brav_type);
         // transform the above symmetric operation matrices between different coordinate