How to caculate ElectronDiffrenceDensity？

[dong0216]

Dear all：
          I have a question about ElectronDiffrenceDensity.I caculate  the ElectronDiffrenceDensity   using    optimized nc file, but  the  results look  like unoptimized  configuration electrondensity. I do not know why.
        Thanks.
 

[Ulrik G. Vej-Hansen]

Please attach the script(s) you are using.

[dong0216]

Thanks for your reply.  This  is  my  script.
                          [ 0.247608657572,  0.478838479577,  0.067606299506],
                          [ 0.500000000002,  0.581299876116,  0.392385497312]]
# Set up configuration
bulk_configuration = BulkConfiguration(
    bravais_lattice=lattice,
    elements=elements,
    fractional_coordinates=fractional_coordinates
    )

# -------------------------------------------------------------
# Analysis from File
# -------------------------------------------------------------
bulk_configuration = nlread('H4-V.nc', object_id='gID001')[0]

# -------------------------------------------------------------
# Electron Difference Density
# -------------------------------------------------------------
electron_difference_density = ElectronDifferenceDensity(bulk_configuration)
nlsave('ElectronDifferenceDensity-H4-V.nc', electron_difference_density)

[mlee]

I think you red the initial configuration.
If you want to analyze the optimized configuration, you need to read the optimized configuration from the calculated your nc file.
Can you change your configuration?
bulk_configuration = nlread('H4-V.nc', object_id='gID001')[-1]