Test: Update several integrate tests again

Author: sunliang98

tests/integrate/101_PW_GTH_CF_CS_Si/STRU

@@ -15,4 +15,4 @@ Si 			#Name of element
 0.0			#Magnetic for this element.
 2			#Number of atoms
 0.00 0.00 0.00 0 0 0	#x,y,z, move_x, move_y, move_z
-0.25 0.25 0.251 1 1 1
+0.251 0.25 0.25 1 1 1

tests/integrate/107_PW_OK/SPIN1_CHG.cube.ref

@@ -1,9 +1,9 @@
 STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 0.517574 (fermi energy, in Ry)
 2 0.0 0.0 0.0 
-24 0.212500 0.212500 0.000000
-24 0.212500 0.000000 0.212500
 24 0.000000 0.212500 0.212500
+24 0.212500 0.000000 0.212500
+24 0.212500 0.212500 0.000000
  14 4 0.000000 0.000000 0.000000
  14 4 2.550000 2.550000 2.550000
  6.306e-04 4.526e-03 1.770e-02 3.853e-02 5.728e-02 6.466e-02

tests/integrate/107_PW_OK/SPIN1_TAU.cube.ref

@@ -1,9 +1,9 @@
 STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 0.517574 (fermi energy, in Ry)
 2 0.0 0.0 0.0 
-24 0.212500 0.212500 0.000000
-24 0.212500 0.000000 0.212500
 24 0.000000 0.212500 0.212500
+24 0.212500 0.000000 0.212500
+24 0.212500 0.212500 0.000000
  14 4 0.000000 0.000000 0.000000
  14 4 2.550000 2.550000 2.550000
  9.35850333253e-02 1.05271425072e-01 1.14984029929e-01 9.46618817553e-02 6.13624406409e-02 4.15726567626e-02

tests/integrate/107_PW_outWfcR/result.ref

@@ -1,12 +1,12 @@
-etotref -197.1405644417789
+etotref -197.1405644417868
 etotperatomref -98.5702822209
 variance_wfc_r_0_0 0.31340
 variance_wfc_r_0_1 1.71055
-variance_wfc_r_0_2 2.39604
+variance_wfc_r_0_2 2.39603
 variance_wfc_r_0_3 1.66607
 variance_wfc_r_0_4 1.05190
 variance_wfc_r_0_5 1.29386
 pointgroupref T_d
 spacegroupref O_h
 nksibzref 1
-totaltimeref 0.40
+totaltimeref 0.31

tests/integrate/108_PW_RE/STRU

@@ -15,4 +15,4 @@ Si 			#Name of element
 0.0			#Magnetic for this element.
 2			#Number of atoms
 0.00 0.00 0.00 0 0 0	#x,y,z, move_x, move_y, move_z
-0.25 0.25 0.251 1 1 1
+0.251 0.25 0.25 1 1 1

tests/integrate/111_PW_elec_add/STRU

@@ -16,4 +16,4 @@ Si	// Element type
 0.0	// magnetism
 2	
 0.00 0.00 0.00 1 1 1
-0.20 0.25 0.25 1 1 1
+0.25 0.25 0.20 1 1 1

tests/integrate/116_PW_scan_Si2_nspin2/STRU

@@ -16,4 +16,4 @@ Si	// Element type
 0.0	// magnetism
 2	
 0.00 0.00 0.00 1 1 1
-0.25 0.25 0.3 1 1 1
+0.3 0.25 0.25 1 1 1

tests/integrate/117_PW_out_pot/refSPIN1_POT.cube

@@ -1,9 +1,9 @@
 STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 
 1 0.0 0.0 0.0 
-9 0.495556 0.495556 0.000000
-9 0.495556 0.000000 0.495556
 9 0.000000 0.495556 0.495556
+9 0.495556 0.000000 0.495556
+9 0.495556 0.495556 0.000000
  58 12 0.000000 0.000000 0.000000
  -1.062e+01 -9.235e+00 -4.737e+00 -1.499e+00 -4.977e-01 -4.977e-01
  -1.499e+00 -4.737e+00 -9.235e+00

tests/integrate/117_PW_out_pot_nscf/refSPIN1_POT.cube

@@ -1,9 +1,9 @@
 STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 
 1 0.0 0.0 0.0 
-9 0.495556 0.495556 0.000000
-9 0.495556 0.000000 0.495556
 9 0.000000 0.495556 0.495556
+9 0.495556 0.000000 0.495556
+9 0.495556 0.495556 0.000000
  58 12 0.000000 0.000000 0.000000
  -1.062e+01 -9.235e+00 -4.737e+00 -1.499e+00 -4.977e-01 -4.977e-01
  -1.499e+00 -4.737e+00 -9.235e+00

tests/integrate/119_PW_out_elf/refELF.cube

@@ -1,9 +1,9 @@
 STEP: 0  Cubefile created from ABACUS. Inner loop is z, followed by y and x
 1 (nspin) 
 2 0.0 0.0 0.0 
-12 0.425000 0.425000 0.000000
-12 0.425000 0.000000 0.425000
 12 0.000000 0.425000 0.425000
+12 0.425000 0.000000 0.425000
+12 0.425000 0.425000 0.000000
  14 4.000000 0.000000 0.000000 0.000000
  14 4.000000 2.550000 2.550000 2.550000
  1.318e-04 1.477e-02 3.999e-01 8.349e-01 8.631e-01 5.225e-01