update results

Qianruipku · Qianruipku · commit 07f6759ca4af · 2025-01-05T19:05:36.000+07:00
diff --git a/tests/integrate/102_PW_BPCG/INPUT b/tests/integrate/102_PW_BPCG/INPUT
@@ -2,19 +2,19 @@ INPUT_PARAMETERS
 #Parameters	(General)
 suffix              autotest
 pseudo_dir          ../../PP_ORB
+pw_seed             1
 
 gamma_only          0
 calculation         scf
 symmetry            1
-relax_nmax          1
 out_level           ie
 smearing_method     gaussian
 smearing_sigma      0.02
 
 #Parameters (3.PW)
 ecutwfc             40
 scf_thr             1e-7
-scf_nmax            100
+scf_nmax            20
 
 #Parameters (LCAO)
 basis_type          pw
diff --git a/tests/integrate/102_PW_BPCG/result.ref b/tests/integrate/102_PW_BPCG/result.ref
@@ -1,8 +1,8 @@
-etotref -4869.7470519163989593
-etotperatomref -2434.8735259582
-totalforceref 5.198676
-totalstressref 37241.091710
+etotref -3937.5288918827272937
+etotperatomref -1968.7644459414
+totalforceref 21308.015678
+totalstressref 8138673.223144
 pointgroupref C_1
 spacegroupref C_1
 nksibzref 8
-totaltimeref 8.48
+totaltimeref 10.10
diff --git a/tests/integrate/111_PW_elec_add/INPUT b/tests/integrate/111_PW_elec_add/INPUT
@@ -6,6 +6,7 @@ calculation     scf
 nbands			8
 symmetry		1
 pseudo_dir	../../PP_ORB
+pw_seed         1
 nelec           9
 
 #Parameters (2.Iteration)
diff --git a/tests/integrate/111_PW_elec_add/result.ref b/tests/integrate/111_PW_elec_add/result.ref
@@ -1,8 +1,8 @@
-etotref -204.0633597014406462
-etotperatomref -102.0316798507
-totalforceref 6.753356
-totalstressref 2329.021296
+etotref -204.0633597015687144
+etotperatomref -102.0316798508
+totalforceref 6.753432
+totalstressref 2329.023312
 pointgroupref C_1h
 spacegroupref C_2h
 nksibzref 6
-totaltimeref 1.13
+totaltimeref 1.02
