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from ATK.TwoProbe import *
from ATK.MPI import processIsMaster
checkpoint_file = "¡Á.nc"
scf = restoreSelfConsistentCalculation(checkpoint_file)
for N in range(1,10):
kpoints = brillouinZoneIntegrationParameters((N, N))
transmission_spectrum = calculateTransmissionSpectrum(
self_consistent_calculation = scf,
energies = (0.0,)*electronVolt,
brillouin_zone_integration_parameters = kpoints, )
if processIsMaster():
print N, transmission_spectrum.coefficients()[0]
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