Add an Al metal integration case for ks_solver ppcg

Author: cheerly-pku

tests/01_PW/819_PW_PPCG_Al/INPUT

@@ -0,0 +1,33 @@
+INPUT_PARAMETERS 
+#Parameters	(General)
+suffix            autotest
+pseudo_dir        ../../PP_ORB
+pw_seed           1
+
+gamma_only        0
+calculation       scf
+symmetry          1
+out_level         ie
+smearing_method   gaussian
+smearing_sigma    0.02
+
+#Parameters (3.PW)
+ecutwfc           40
+scf_thr           1e-6
+scf_nmax          50
+
+#Parameters (LCAO)
+basis_type        pw
+ks_solver         ppcg
+device            cpu
+nbands            8
+chg_extrap        second-order
+pw_diag_thr       0.00001
+pw_diag_ndim      4
+
+cal_force         1
+cal_stress        1
+
+mixing_type       broyden
+mixing_beta       0.4
+mixing_gg0        1.5

tests/01_PW/819_PW_PPCG_Al/KPT

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

tests/01_PW/819_PW_PPCG_Al/README

@@ -0,0 +1 @@
+pw basis for Al metal with ks_solver ppcg (projection preconditioned conjugate-gradient), multi k

tests/01_PW/819_PW_PPCG_Al/STRU

@@ -0,0 +1,18 @@
+ATOMIC_SPECIES
+Al 26.98 Al_ONCV_PBE-1.0.upf
+
+LATTICE_CONSTANT
+7.63
+
+LATTICE_VECTORS
+0.0 0.5 0.5
+0.5 0.0 0.5
+0.5 0.5 0.0
+
+ATOMIC_POSITIONS
+Direct
+
+Al
+0.0
+1
+0.00 0.00 0.00 1 1 1

tests/01_PW/819_PW_PPCG_Al/result.ref

@@ -0,0 +1,8 @@
+etotref -1882.1779463790387581
+etotperatomref -1882.1779463790
+totalforceref 0.000000
+totalstressref 1110.433812
+pointgroupref O_h
+spacegroupref O_h
+nksibzref 8
+totaltimeref 1.31

tests/01_PW/CASES_CPU.txt

@@ -134,3 +134,4 @@ scf_out_chg_tau
 816_PW_DFTU_S4_XY
 817_PW_PPCG
 818_PW_PPCG_Si
+819_PW_PPCG_Al