update test with symmetry, tests/integrate/1001_NO_Si2_dzp_rdmft

JGHan7 · JGHan7 · commit 0a72e693ca2f · 2024-10-27T23:12:28.000+08:00
diff --git a/tests/integrate/1001_NO_Si2_dzp_rdmft/INPUT b/tests/integrate/1001_NO_Si2_dzp_rdmft/INPUT
@@ -4,7 +4,7 @@ suffix           autotest
 calculation      scf
                  
 #nbands			 8
-symmetry         -1
+symmetry         1
                  
 #Parameters (2.Iteration)
 ecutwfc          50
diff --git a/tests/integrate/1001_NO_Si2_dzp_rdmft/KPT b/tests/integrate/1001_NO_Si2_dzp_rdmft/KPT
@@ -1,4 +1,4 @@
 K_POINTS
 0
 Gamma
-2 3 2 0 0 0
+3 3 3 0 0 0
diff --git a/tests/integrate/1001_NO_Si2_dzp_rdmft/result.ref b/tests/integrate/1001_NO_Si2_dzp_rdmft/result.ref
@@ -1,15 +1,18 @@
-etotref -206.4590116537501956
-etotperatomref -103.2295058269
+etotref -207.1958885866771709
+etotperatomref -103.5979442933
+pointgroupref T_d
+spacegroupref O_h
+nksibzref 4
 
 The following energy units are in Rydberg:
-E_TV_RDMFT_ref 4.9157156831
-E_hartree_RDMFT_ref 1.2841029965
-Exc_cwp22_RDMFT_ref -4.4745111262
+E_TV_RDMFT_ref 4.8778919898
+E_hartree_RDMFT_ref 1.2469125524
+Exc_cwp22_RDMFT_ref -4.4536562666
 E_Ewald_ref -16.8997586085
 E_entropy_ref -0.0000000000
 E_descf_ref 0.0000000000
-Etotal_RDMFT_ref -15.1744510551
-Exc_ksdft_ref -2.4643530992
-E_exx_ksdft_ref -2.0101579851
+Etotal_RDMFT_ref -15.2286103330
+Exc_ksdft_ref -2.4587890515
+E_exx_ksdft_ref -1.9948670726
 
-totaltimeref 112.36
+totaltimeref 152.65
