Automatic tests for pw.x - edit and run "check-pw.x.j"
Tests are intended to verify that a specified feature works.
They are NOT intended to be realistic calculations!
Do not use tests as samples for realistic calculations
Use the examples in the examples/ subdirectory instead.

name      system   what is tested

atom       O       occupancies from input, also with spin polarization
                   PBE and spin-polarized PBE
                   PBE and s-PBE stress
           Ni      atomic occupations: Ni d8s2 and d9s1
berry     PbTiO3   scf: Q function in real space (tqr=.true.)
                   nscf: Berry phase calculation (with and without empty bands)
b3lyp-O    O       B3LYP hybrid functional (spin polarized), Gamma
b3lyp-h2o  H2O     structural optimization with B3LYP, unpolarized, Gamma
cluster  N,NH4,H2O Martyna-Tuckermann method for isolated systems
           NH4     Makov-Payne correction for isolated systems
dft*       Si      Various flavours of XC (GGA, no hybrid-meta-nonlocal XC)
dipole    CO on Ni dipole field correction
electric   Si      finite electric field using Berry's phase approach
eval_infix Si      parser
gau-pbe    Si      GAU-PBE functional
hse-si111  Si      HSE hybrid functional, nq=1
hse-si222  Si      HSE hybrid functional, nq=2
hse-si444  Si      HSE hybrid functional, nq=4
langevin  H_2      Langevin dynamics, Smart Monte Carlo algorithm
lattice   H_2      all bravais lattices, CELL_PARAMETERS, a b c parameters
                   Gamma and automatic k-points
lda+U     FeO      LDA+U with standard and user-defined occupancies
                   forces and stresses, gamma-only case 
lsda      Ni fcc   LSDA with starting magnetization and free occupancies
                   core corrections
                   davidson and cg diagonalizations
                   simple, TF, local-TF mixing, ndim=4,8
                   constrained occupancies: tot_magnetization, nelup+neldw
                   LSDA stress
                   non-scf calculation
md        Si       verlet algorithm 
                   potential extrapolation
                   wavefunction extrapolation
metaGGA   C4H6     meta-GGA
metal     Al fcc   occupancies: all smearing schemes, tetrahedra
                   stress in metals
                   non-scf calculation with smearing and tetrahedra
noncolin  Fe bcc   noncollinear magnetization
                   davidson and cg diagonalizations
                   constraints: atomic, atomic direction, total magnetization
                   noncollinear stress
                   non-scf calculation, tetrahedra
                   hybrid functionals (norm-conserving)
paw-atom  O, Cu    PAW   
paw-bfgs    H2O    PAW with bfgs    
paw-vcbfgs  H2O    PAW with variable-cell bfgs    
pbeq2d    Cu       Modified PBE functional PBEQ2D
pbe0-si111 Si      PBE0 hybrid functional, nq=1
pbe0-si222 Si      PBE0 hybrid functional, nq=2
pbe0-si444 Si      PBE0 hybrid functional, nq=4
plugin-pw2casino   interface with CASINO
relax     CO       forces
                   bfgs and damped dynamics
                   energies, forces, bfgs with saw-like electric field 
                   bfgs with external forces
relax2    Al       forces in metals
                   bfgs_ndim=3
scf       Si fcc   davidson and cg diagonalizations
                   simple, TF, local-TF mixing, ndim=4,8
                   Gamma, automatic, list of k-points (tpiba, crystal, tpiba_b)
                   wf_collect, disk_io, force_symmorphic, use_all_frac options
                   stress with k-points and at Gamma
                   non-scf calculation
                   old "ncpp" format for pseudopotentials
spinorbit Pt fcc   spin-orbit + noncollinear magnetization
                   spin-orbit stress
                   non-scf calculation, tetrahedra
uspp      Cu fcc   US PP, both single and double grid
                   davidson and cg diagonalizations
                   simple, TF, local-TF mixing, ndim=4,8
                   stress with single and double grid
                   non-scf calculation
                   hybrid functionals (pbe0/hse, gamma/k, real/G-space)
uspp1     H2O      old Vanderbilt format for pseudopotentials
                   Fake coulombian (1/r) pseudopotential
uspp2     Ni fcc   core corrections
                   stress with core corrections
                   non-scf calculation
vc-relax  As       Variable-cell optimization (both damped dynamics and bfgs)
                   at zero pressure and under an external pressure
vc-md     As       Variable-cell dynamics (Wentzcovitch dynamics)
                   at zero pressure and under an external pressure
vdw-d     C        Dispersion (van der Waals) interactions with DFT-D (Grimme)
vdw[1-4]  C        As above, with vdW-DF[1-4] (nonlocal) functionals
vdw5      C        As above, with vdW-DF-C09  (nonlocal) functionals
vdw-ts    C        As above, Tkatchenko-Scheffler
xdm       C        XDM dispersion correction.

Tests are still missing for:
  forces with core corrections
  pw91
 'bands' 
