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QuantumATK => General Questions and Answers => Topic started by: rose on March 22, 2016, 11:04

Title: got an error in tutorial Au(111)-pentacene crystal interface
Post by: rose on March 22, 2016, 11:04

Hi everyone,

I got an error when running the tutorial " An Au(111)-pentacene crystal interface" by address:
 
http://quantumwise.com/documents/tutorials/latest/Au_Pentacene/index.html/chap.device.html

in the part "Local density of states".

When I run it everything is fine till I reach

#Find the z-spacing
dX, dY, dZ = ldos.volumeElement().inUnitsOf(Ang)
dz = dZ.norm()
shape = ldos.shape()
z = dz * numpy.arange(shape[2])

which i got following error:

<module>
    dz = dZ.norm()
AttributeError: 'numpy.ndarray' object has no attribute 'norm'

what i should i do to solve it?
thanks
Rose

Title: Re: got an error in tutorial Au(111)-pentacene crystal interface
Post by: Jess Wellendorff on March 23, 2016, 09:55

Hi Rose, thanks for reporting this. That tutorial was made quite some time ago, and we now have an analysis object that does exactly what the script is supposed to do. So plotting the PLDOS is now much easier:

Simply use the ProjectedLocalDensityOfStates (PLDOS) analysis object in your main script instead of LDOS, run the calculation, and then use the plotting plugin called "Projected Local Device Density of States" to directly plot it.

Here is an example: http://docs.quantumwise.com/tutorials/nisi2-si.html#density-of-states-dos-analysis (http://docs.quantumwise.com/tutorials/nisi2-si.html#density-of-states-dos-analysis)

Title: Re: got an error in tutorial Au(111)-pentacene crystal interface
Post by: rose on March 24, 2016, 07:23

Thanks...nice tutorial.