CalculationMode = gs
PeriodicDimensions = 3 
BoxShape = parallelepiped
ExperimentalFeatures = yes
FromScratch = yes

PseudopotentialSet = sg15

a = 5.256*Angstrom

Spacing  = 0.5

%LatticeParameters
  a | a | a
%

%LatticeVectors
 0.  | 0.5 | 0.5
 0.5 | 0.  | 0.5
 0.5 | 0.5 | 0.0
%

%ReducedCoordinates
 "Ar" |   0.0    | 0.0     | 0.0 
%

nk = 6
%KPointsGrid
 nk | nk | nk
%
KPointsUseSymmetries = yes

ExtraStates = 1

TheoryLevel = hartree_fock

ExperimentalFeatures = yes
AdaptivelyCompressedExchange = yes
