%CalculationMode
   gs   |  td
  "gs_" | "td_"
%

%td_ParallelizationGroupRanks
  16 | fill
%

DevelVersion = yes
TmpDir = "restart/"
RestartDir = "restart/"
ProfilingMode = prof_time

EigenSolver = rmmdiis
LCAOAlternative = yes

ConvRelDens = 1e-4
ExtraStates = 53
MaximumIter = 2

SmearingFunction = fermi_dirac
Smearing = 0.01
Mixing = 0.2
XCFunctional = lda_xc_teter93

TDMaximumIter = 5
TDTimeStep = 0.001
td_RestartFileFormat = none

XYZCoordinates = "chlorophyll_650.xyz"

Spacing = 0.25
Radius = 3.75

%Species
 "Mg" | 24.305 | spec_ps_fhi | 12 | 2  | 2
%
