Add integrate test 115_PW_get_wf_kpar

Author: AsTonyshment

tests/01_PW/115_PW_get_wf_kpar/INPUT

@@ -0,0 +1,23 @@
+INPUT_PARAMETERS
+#Parameters (1.General)
+suffix             autotest
+calculation        scf
+
+nbands             6
+symmetry           1
+pseudo_dir         ../../PP_ORB
+
+#Parameters (2.Iteration)
+ecutwfc            20
+scf_thr            1e-9
+scf_nmax           100
+
+#Parameters (3.Basis)
+basis_type         pw
+
+out_wfc_norm       1 3*0
+out_wfc_re_im      0 1 2*0
+
+kpar               2
+
+pw_seed            1

tests/01_PW/115_PW_get_wf_kpar/KPT

@@ -0,0 +1,4 @@
+K_POINTS
+0
+Gamma
+2 2 2 0 0 0

tests/01_PW/115_PW_get_wf_kpar/README

@@ -0,0 +1 @@
+test the output of out_wfc_norm and out_wfc_re_im when kpar > 1

tests/01_PW/115_PW_get_wf_kpar/STRU

@@ -0,0 +1,19 @@
+ATOMIC_SPECIES
+Si 14 Si_ONCV_PBE-1.0.upf upf201
+
+LATTICE_CONSTANT
+10.2  // add lattice constant
+
+LATTICE_VECTORS
+0.0 0.5 0.5
+0.5 0.0 0.5
+0.5 0.5 0.0
+
+ATOMIC_POSITIONS
+Direct 
+
+Si	// Element type	
+0.0	// magnetism
+2	
+0.00 0.00 0.00 1 1 1
+0.25 0.25 0.25 1 1 1

tests/01_PW/115_PW_get_wf_kpar/result.ref

@@ -0,0 +1,15 @@
+etotref -211.8032873348058
+etotperatomref -105.9016436674
+wf1s1k1.cube 21.94713327
+wf1s1k2.cube 19.65692737
+wf1s1k3.cube 20.52420057
+wf2s1k1imag.cube -1.245726606e-07
+wf2s1k1real.cube -1.248871899e-06
+wf2s1k2imag.cube -10.91610253
+wf2s1k2real.cube -9.92453528
+wf2s1k3imag.cube 0.1940087782
+wf2s1k3real.cube -19.11015812
+pointgroupref T_d
+spacegroupref O_h
+nksibzref 3
+totaltimeref 1.00

tests/01_PW/CASES_CPU.txt

@@ -101,6 +101,7 @@
 112_PW_get_wf
 113_PW_get_pchg_kpar
 114_PW_get_pchg_sepk
+115_PW_get_wf_kpar
 201_PW_UPF201_Ce_f
 202_PW_ONCV_Libxc
 203_PW_OK