Added new ctest

tests/dft/pseudopotential/complex/graphene_01_b.mpirun=4.output

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+number of atoms: 2
+number of atoms types: 1
+Z:6
+=============================================================================================================================
+number of electrons: 8
+number of eigen values: 20
+=============================================================================================================================
+Total number of k-points 4
+-----------Simulation Domain bounding vectors (lattice vectors in fully periodic case)-------------
+v1 : 4.025914752260000284e+00 -2.324362965951999982e+00 0.000000000000000000e+00
+v2 : 4.025914752260000284e+00 2.324362965951999982e+00 0.000000000000000000e+00
+v3 : 0.000000000000000000e+00 0.000000000000000000e+00 5.000000000000000000e+01
+-----------------------------------------------------------------------------------------
+-----Fractional coordinates of atoms------ 
+AtomId 0: 3.333333332999999787e-01 3.333333333330000259e-01 5.000000000000000000e-01
+AtomId 1: 6.666666665999999575e-01 6.666666666660000518e-01 5.000000000000000000e-01
+-----------------------------------------------------------------------------------------
+Number Image Charges 620
+
+Finite element mesh information
+-------------------------------------------------
+number of elements: 1768
+number of degrees of freedom: 17475
+-------------------------------------------------
+
+Setting initial guess for wavefunctions....
+
+Reading initial guess for electron-density.....
+
+Pseudopotential initalization....
+
+Starting SCF iterations....
+SCF iterations converged to the specified tolerance after: 10 iterations.
+
+Energy computations (Hartree) 
+-------------------
+ Total energy: -11.41386717
+
+Energy computations (Hartree) 
+-------------------
+ Total energy: -11.41057206

tests/dft/pseudopotential/complex/graphene_01_b.prm.in

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+set VERBOSITY= 0
+set REPRODUCIBLE OUTPUT=true
+
+subsection Geometry
+ set NATOMS=2
+ set NATOM TYPES=1
+ set ATOMIC COORDINATES FILE = @SOURCE_DIR@/graphene_coordinates.inp
+ set DOMAIN VECTORS FILE = @SOURCE_DIR@/graphene_domainBoundingVectors.inp
+
+ subsection Optimization
+ set ION FORCE=false
+ set CELL STRESS=false
+ end 
+
+end
+
+
+subsection Boundary conditions
+ set SELF POTENTIAL RADIUS = 1.6
+ set PERIODIC1 = true
+ set PERIODIC2 = true
+ set PERIODIC3 = false
+ set CONSTRAINTS PARALLEL CHECK=true
+end
+
+
+subsection Finite element mesh parameters
+ set POLYNOMIAL ORDER = 2
+
+ subsection Auto mesh generation parameters
+ set BASE MESH SIZE = 1.0 
+ set ATOM BALL RADIUS = 2.0
+ set MESH SIZE AROUND ATOM = 0.5
+ set MESH SIZE AT ATOM = 0.5 
+ end
+
+end
+
+
+subsection Brillouin zone k point sampling options
+
+ subsection Monkhorst-Pack (MP) grid generation
+ set SAMPLING POINTS 1 = 2
+ set SAMPLING POINTS 2 = 2
+ set SAMPLING POINTS 3 = 1
+ set SAMPLING SHIFT 1 = 1
+ set SAMPLING SHIFT 2 = 1
+ set SAMPLING SHIFT 3 = 0
+ end
+
+ set USE GROUP SYMMETRY =true
+ set USE TIME REVERSAL SYMMETRY =true
+end
+
+
+
+subsection DFT functional parameters
+ set PSEUDOPOTENTIAL CALCULATION =true
+ set PSEUDOPOTENTIAL FILE NAMES LIST = @SOURCE_DIR@/pseudoCarbon.inp
+ set EXCHANGE CORRELATION TYPE = 4
+ set PSEUDO TESTS FLAG = true
+ set SPIN POLARIZATION=1
+ set START MAGNETIZATION=0.4
+end
+
+
+subsection SCF parameters
+ set MAXIMUM ITERATIONS = 40 
+ set TOLERANCE = 1e-6
+ set MIXING PARAMETER = 0.5
+ set MIXING HISTORY = 70
+ set TEMPERATURE = 500
+ set STARTING WFC=ATOMIC
+ set HIGHER QUAD NLP = false
+ subsection Eigen-solver parameters
+ set NUMBER OF KOHN-SHAM WAVEFUNCTIONS = 20
+ set LOWER BOUND WANTED SPECTRUM = -10.0
+ set CHEBYSHEV POLYNOMIAL DEGREE = 40
+ set CHEBYSHEV FILTER TOLERANCE=1e-3
+ set ORTHOGONALIZATION TYPE=PGS
+ end
+end
+
+
+subsection Poisson problem parameters
+ set MAXIMUM ITERATIONS = 4000
+ set TOLERANCE = 1e-12
+end
+set H REFINED ELECTROSTATICS=true