Author Topic: LDOS energy range  (Read 2547 times)

0 Members and 1 Guest are viewing this topic.

Offline atk_user

  • Heavy QuantumATK user
  • ***
  • Posts: 48
  • Country: 00
  • Reputation: 0
    • View Profile
LDOS energy range
« 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)
« Last Edit: November 28, 2014, 13:27 by atk_user »

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: LDOS energy range
« Reply #1 on: November 28, 2014, 13:35 »
Then you need to loop over the energies, and save each LDOS object.