QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: atk_user on November 28, 2014, 13:01

Title: LDOS energy range
Post by: atk_user on November 28, 2014, 13:01

Dear all,

I'm trying to calculate the real-space projected local density of states (LDOS) for the device configurations.
I want to get the LDOS for the energy range i.e., -0.5 eV to Fermi level or Fermi level to 0.5 eV. Is it possible?



# -------------------------------------------------------------
# Local device density of states
# -------------------------------------------------------------
local_device_density_of_states = LocalDeviceDensityOfStates(
    configuration=configuration,
    energy=0*eV,
    kpoints=MonkhorstPackGrid(24,24),
    contributions=All,
    energy_zero_parameter=AverageFermiLevel,
    infinitesimal=1e-06*eV,
    self_energy_calculator=RecursionSelfEnergy(),
    )
nlsave('analysis.nc', local_device_density_of_states)

Title: Re: LDOS energy range
Post by: Anders Blom on November 28, 2014, 13:35

Then you need to loop over the energies, and save each LDOS object.