CalculationMode=td
ExperimentalFeatures = yes
FromScratch=yes


# %output
# potential | plane_z
# %

## Cell ##

TheoryLevel = independent_particles
Dimensions = 2
PeriodicDimensions = 1

BoxShape = parallelepiped
Spacing = 0.5

LL = 120

%LatticeParameters
8.15| LL
%

%LatticeVectors
1.  | 0.
0.  | 1.
%

U0 = 0.78
x0 = 0.565*1.88
y0 = 0.0


%Species
"tanh" | species_user_defined | potential_formula | " -U0*(1+tanh(x+x0))*(1+tanh(x0-x))*(1+tanh(y+y0))*(1+tanh(-y+y0))" | valence | 4
%

%Coordinates
  "tanh" |   0.0   | 0.0
%


%KpointsGrid
1 | 1
%

%KPointsPath
20
-0.5| 0
0.5 | 0
%

## LASER ##

wpr = 52/27.211
II = 1.0E9             # intensity
EE = sqrt(II/3.51e+16) # Electric field peak amplitude
AApr = EE * 137/wpr    # Vector potential amplitude
TT = 10*femtosecond    # Pulse envelope
tcpr=2*pi/wpr          # field cycle
npr = TT/tcpr
Tpr = tcpr*npr



%TDExternalFields
  vector_potential | 1  | 0  | 0 | wpr |"probe"
%

%TDFunctions
  "probe"  | tdf_from_expr | 'AApr*sin(wpr*(t)/(2*npr))^2*step(Tpr-(t))*step(t)'
%

TDTimeStep = 0.2
TDPropagationTime = Tpr

############
# PES
############
Lmin = 30

AbsorbingBoundaries = cap
ABCapHeight = -1.0
%ABShape
 Lmin | LL | "abs(y)"
%

PhotoElectronSpectrum = pes_flux
PES_Flux_Lsize = Lmin

Emin =  wpr - 0.2
Emax =  wpr
DE   = 0.01
%PES_Flux_EnergyGrid
Emin | Emax | DE
%



# OutputInterval = 500
# RestartWriteInterval = 500
