The Computational Materials Repository

80 Appendixputer system, Date, HF, Method, Multiplicity, Person, Positions, Sequence number,Title, Type of runGPAWActiniumFingerprint, AluminiumFingerprint, AmericiumFingerprint, AntimonyFingerprint,ArgonFingerprint, ArsenicFingerprint, AstatineFingerprint, AtomicNumbers,BZKPoints, BariumFingerprint, BasisSet, BerkeliumFingerprint,BerylliumFingerprint, BismuthFingerprint, BoronFingerprint, BoundaryConditions,BromineFingerprint, CadmiumFingerprint, CaesiumFingerprint, CalciumFingerprint,CaliforniumFingerprint, CarbonFingerprint, CartesianForces,CartesianPositions, CeriumFingerprint, Charge, ChlorineFingerprint, ChromiumFingerprint,CobaltFingerprint, Converged, CopperFingerprint, CuriumFingerprint,DataType, DensityConvergenceCriterion, DensityError, DysprosiumFingerprint,Ebar, Eext, EigenstateError, EigenstatesConvergenceCriterion, Eigenvalues,EinsteiniumFingerprint, Ekin, EnergyConvergenceCriterion, EnergyError,Epot, ErbiumFingerprint, EuropiumFingerprint, Exc, FermiLevel, FermiWidth,FermiumFingerprint, FixDensity, FixMagneticMoment, FluorineFingerprint, For-Transport, FranciumFingerprint, GadoliniumFingerprint, GalliumFingerprint,GermaniumFingerprint, GoldFingerprint, GridSpacing, HafniumFingerprint, HeliumFingerprint,HolmiumFingerprint, HydrogenFingerprint, IBZKPointWeights,IBZKPoints, IndiumFingerprint, InterpolationStencil, IodineFingerprint, IridiumFingerprint,IronFingerprint, KohnShamStencil, KryptonFingerprint, LanthanumFingerprint,LawrenciumFingerprint, LeadFingerprint, LithiumFingerprint,LutetiumFingerprint, MagnesiumFingerprint, MagneticMoments, ManganeseFingerprint,MaximumAngularMomentum, MendeleviumFingerprint, MercuryFingerprint,MixBeta, MixClass, MixMetric, MixOld, MixWeight, Mode,MolybdenumFingerprint, NeodymiumFingerprint, NeonFingerprint, NeptuniumFingerprint,NickelFingerprint, NiobiumFingerprint, NitrogenFingerprint,NobeliumFingerprint, NumberOfBandsToConverge, OccupationNumbers, OsmiumFingerprint,OxygenFingerprint, PalladiumFingerprint, PhosphorusFingerprint,PlatinumFingerprint, PlutoniumFingerprint, PoissonStencil, PoloniumFingerprint,PotassiumFingerprint, PotentialEnergy, PraseodymiumFingerprint,Promethium-Fingerprint, ProtactiniumFingerprint, RadiumFingerprint, Radon-Fingerprint, RheniumFingerprint, RhodiumFingerprint, RubidiumFingerprint,RutheniumFingerprint, S, SamariumFingerprint, ScandiumFingerprint, SeleniumFingerprint,SetupTypes, SiliconFingerprint, SilverFingerprint, SodiumFingerprint,SoftGauss, StrontiumFingerprint, SulfurFingerprint, Tags, TantalumFingerprint,TechnetiumFingerprint, TelluriumFingerprint, TerbiumFingerprint,ThalliumFingerprint, ThoriumFingerprint, ThuliumFingerprint, Time, TinFingerprint,TitaniumFingerprint, TungstenFingerprint, UnitCell, UnnilhexiumFingerprint,UnnilpentiumFingerprint, UnnilquadiumFingerprint, UraniumFingerprint,UseSymmetry, VanadiumFingerprint, XCFunctional, XenonFingerprint,YtterbiumFingerprint, YttriumFingerprint, ZincFingerprint, ZirconiumFingerprint,architecture, ase atomic numbers, ase cell, ase center of mass, ase charges,ase chemical symbols, ase dipole moment, ase dir, ase forces, ase initial magneticmoments, ase kinetic energy, ase magnetic moment, ase magnetic mo-