I get the error
Back Engine Exception 92 : Too large a difference in calculated transmissions has been detected among processes
** Location : calculatetransmissioncoefficient.cpp:164
any ideas what i did wrong?
this is my script
from NanoLanguage import *
from numpy import *
configuration = nlread("CGsupergap.nc", object_id="gID000")[0]
#setup energies, and calculate DOS
x1= numpy.linspace(-1,1,20)
x2= numpy.linspace(-0.628,-0.622,15)
x3= numpy.linspace(0.27,0.31,10)
energies= numpy.hstack((x1,x2,x3)) * eV
dos = TransmissionSpectrum(configuration, energies=energies,kpoints=MonkhorstPackGrid(1,1,1),
energy_zero_parameter=AverageFermiLevel,
infinitesimal=1e-06*Units.eV,
self_energy_calculator=KrylovSelfEnergy() )
dos1 = DeviceDensityOfStates(configuration, energies=energies,
kpoints=MonkhorstPackGrid(1,1,1),
contributions=All,
energy_zero_parameter=AverageFermiLevel,
infinitesimal=1e-06*eV,
self_energy_calculator=KrylovSelfEnergy())
nlsave('CGsupergap.nc', dos)
nlsave('CGsupergap.nc', dos1)