Hi, I caluate PLDOS.py file.
# -*- coding: utf-8 -*-
# -------------------------------------------------------------
# Analysis from File
# -------------------------------------------------------------
path = u'Device-NiGrCo.nc'
configuration = nlread(path, object_id='gID000')[0]
# -------------------------------------------------------------
# Projected Local Density Of States
# -------------------------------------------------------------
kpoint_grid = MonkhorstPackGrid(
na=151,
nb=151,
)
projected_local_density_of_states = ProjectedLocalDensityOfStates(
configuration=configuration,
method=LocalDeviceDensityOfStates,
energies=numpy.linspace(-2, 2, 101)*eV,
kpoints=kpoint_grid,
contributions=All,
self_energy_calculator=RecursionSelfEnergy(),
energy_zero_parameter=AverageFermiLevel,
infinitesimal=1e-06*eV,
)
nlsave('Device-NiGrCo.nc', projected_local_density_of_states)
The Device-NiGrCo.nc has existed, which contains the results of trasmissionSpectrum. After the calculation of PLDOS.py, I can't open the result of PLDOS?
There is a ATKNCImporter Error, as shown below:
Traceback (most recent call last):
File ".\zipdir\NL\GUI\MainWindow\LabFloor\LabFloorModel.py", line 234, in load
File "D:\Program Files (x86)\QuantumWise\VNL-ATK-2016.4\Lib\site-packages\AddOns\ATKNCImporter\ATKNCImporter.py", line 96, in load
data = nlread(filename, object_id=object_id, read_state=read_full)[0]
File ".\zipdir\NL\IO\NLSaveUtilities.py", line 422, in nlread
File ".\zipdir\NL\ComputerScienceUtilities\Timer.py", line 45, in __call__
File ".\zipdir\NL\IO\NLSaveUtilities.py", line 422, in <lambda>
File ".\zipdir\NL\Analysis\TransmissionSpectrum.py", line 1436, in nlreadTransmissionSpectrum
KeyError: 'energy_zero_parameter'
