update results of nspin4+sym1 cases (wrong before spin-mixed charge density symmetrization is implemented)

Author: maki49

source/source_cell/module_symmetry/symm_analysis.cpp

@@ -291,8 +291,7 @@ void Symmetry::analy_sys(const Lattice& lat, const Statistics& st, Atom* atoms,
     this->set_atom_map(atoms); // find the atom mapping according to the symmetry operations
 
     // (nspin=4 / SOC) restrict to the unitary magnetic subgroup: drop operations that reverse
-    // the magnetization (pseudovector), so they are not applied in k-reduction / density
-    // symmetrization. See ref/2026-07-SOC磁群对称性判据.md.
+    // the magnetization (pseudovector), so they are not applied in k-reduction / density symmetrization.
     if (nspin == 4)
     {
         this->analyze_magnetic_group_nspin4(atoms, st, latvec1);

source/source_cell/module_symmetry/symmetry.h

@@ -374,7 +374,7 @@ class Symmetry : public Symmetry_Basic
     /// W(g) m_i = m_{g(i)} with W(g)=SpinRotation::spin_so3(gmatc). This prevents operations
     /// that reverse the moment (which are only symmetries when combined with time reversal)
     /// from being applied in k-reduction and density symmetrization.
-    /// See ref/2026-07-SOC磁群对称性判据.md. Non-magnetic (m_i=0) keeps all operations.
+    /// Non-magnetic (m_i=0) keeps all operations.
     void analyze_magnetic_group_nspin4(const Atom* atoms, const Statistics& st, const ModuleBase::Matrix3& latvec);
 };
 }

tests/03_NAO_multik/scf_out_elf/INPUT

@@ -26,3 +26,5 @@ mixing_beta       0.7
 mixing_gg0        0.0
 
 out_elf           1
+
+symmetry          1

tests/03_NAO_multik/scf_out_elf/refelftot.cube

@@ -1,4 +1,7 @@
-etotref -146.7749964274117
-etotperatomref -146.7749964274
+etotref -146.1249994660216
+etotperatomref -146.1249994660
 ComparePot1_pass 0
+pointgroupref O_h
+spacegroupref O_h
+nksibzref 2
 totaltimeref 1.39

tests/03_NAO_multik/scf_out_elf/result.ref

@@ -28,3 +28,5 @@ mixing_gg0        0.0
 out_mat_hs2       1
 out_mat_r         1
 out_ndigits       5
+
+symmetry          1

tests/03_NAO_multik/scf_out_hsr_spin4/INPUT

@@ -1,6 +1,9 @@
-etotref -147.1596190969566
-etotperatomref -147.1596190970
+etotref -145.7960775063707
+etotperatomref -145.7960775064
 CompareHR_pass 0
 CompareSR_pass 0
 ComparerR_pass 0
-totaltimeref 5.38
+pointgroupref O_h
+spacegroupref O_h
+nksibzref 2
+totaltimeref 3.37