octopus does not print td_kpoint_occup
Dear friends I am doing gs and the td calculation for obtaining td_kpoint_occup output using restartoption. But nothing was obtained in td.general directory as td_kpoint_occup. Is there anything wrong with RestartOption? My inp is as follows:
#CalculationMode = gs
CalculationMode = td
ExperimentalFeatures = yes
PeriodicDimensions = 3
ParKPoints=auto
ParDomains=auto
FromScratch = yes
Spacing = 0.4
a = 6.74
%LatticeParameters
a | a | a
%
%LatticeVectors
0. | 0.5 | 0.5
0.5 | 0. | 0.5
0.5 | 0.5 | 0.0
%
%ReducedCoordinates
"C" | 0.0 | 0.0 | 0.0
"C" | 1/4 | 1/4 | 1/4
%
%KPointsGrid
4 | 4 | 4
%
%SymmetryBreakDir
1.0 | 0.0 | 0.0
%
KPointsUseTimeReversal = no
KPointsUseSymmetries = yes
omega = 0.057
period = 2*pi/omega
# In the original reference, there are 96 cycles instead of 8.
stime =413
# The time-step is shorter in the original reference. But the propagation
# algorithm is also probably different.
dt = 0.05
TDPropagationTime = stime
TDPropagator = etrs
TDTimeStep = dt
TDExponentialMethod=taylor
TDExpOrder=4
B=0.2
%TDExternalFields
vector_potential | 1 | 0 | 0 | omega | "envelope_function"| "phi"
%
electric_amplitude = 50
%TDFunctions
"envelope_function" | tdf_from_expr | "electric_amplitude*(sin(pi/stime*t))^2*sin(omega*t)"
#"envelope_function" | tdf_from_expr | "electric_amplitude*(exp(-(pi/stime*t))^2*exp(i(omega*t+B*t^2))"
"phi" | tdf_from_expr | "B*t*t"
%
%RestartOptions
restart_gs | "restart" | restart_proj
%
`
PropagationSpectrumMaxEnergy = omega * 250
PropagationSpectrumEnergyStep =.002
output = density
OutputFormat = xyz
TDOutput = laser + total_current+n_excited_el+td_kpoint_occup
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Bests
Edited by Nicolas Tancogne-Dejean