Test: Add USPP BPCG regression coverage with BNDPAR

Author: AsTonyshment

tests/01_PW/212_PW_USPP_BPCG/INPUT

@@ -0,0 +1,40 @@
+INPUT_PARAMETERS
+# Parameters (1.General)
+suffix            autotest
+calculation       scf
+nbands            10
+symmetry          0
+latname           bcc
+nspin             2
+pseudo_dir        ../../PP_ORB
+
+# Parameters (2.Iteration)
+ecutwfc           8
+ecutrho           60
+scf_thr           1e-9
+scf_nmax          100
+
+# Parameters (3.Basis)
+basis_type        pw
+ks_solver         bpcg
+kpar              1
+bndpar            2
+
+# Parameters (4.Smearing)
+smearing_method   gaussian
+smearing_sigma    0.02
+
+# Parameters (5.Mixing)
+mixing_type       pulay
+mixing_beta       0.4
+mixing_beta_mag   0.4
+mixing_gg0        1.0
+mixing_gg0_mag    1.0
+
+pseudo_mesh       1
+pseudo_rcut       10
+
+cal_force         1
+cal_stress        1
+
+pw_seed           1

tests/01_PW/212_PW_USPP_BPCG/KPT

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

tests/01_PW/212_PW_USPP_BPCG/README

@@ -0,0 +1 @@
+Test UPF201 USPP with PW BPCG and BNDPAR=2.

tests/01_PW/212_PW_USPP_BPCG/STRU

@@ -0,0 +1,13 @@
+ATOMIC_SPECIES
+Fe 55.845 Fe.pbe-nd-rrkjus.UPF
+
+LATTICE_CONSTANT
+5.4
+
+ATOMIC_POSITIONS
+Direct
+
+Fe
+8
+1
+0 0 0

tests/01_PW/212_PW_USPP_BPCG/result.ref

@@ -0,0 +1,5 @@
+etotref -673.8349347374721674
+etotperatomref -673.8349347375
+totalforceref 0.000000
+totalstressref 66620.137229
+totaltimeref 0.97

tests/01_PW/CASES_CPU.txt

@@ -116,6 +116,7 @@ scf_out_chg_tau
 209_PW_DFTHALF
 210_PW_kspace_shift
 211_PW_BPCG_KB_OCP_CHG
+212_PW_USPP_BPCG
 801_PW_LT_sc
 802_PW_LT_fcc
 803_PW_LT_bcc