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script to calculate EDP from converged nc file
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Topic: script to calculate EDP from converged nc file (Read 2735 times)
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sathyajit
Heavy QuantumATK user
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script to calculate EDP from converged nc file
«
on:
July 1, 2015, 13:23 »
Hi,
I am using the following script to calculate ElectroStatic Difference Potential of 2 structures. There is no error but the isosurface view doesnt show any potential variation.
How do I modify the script to get the proper EDP ?
Regards
Sathyajit
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Umberto Martinez
Supreme QuantumATK Wizard
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Re: script to calculate EDP from converged nc file
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Reply #1 on:
July 1, 2015, 14:18 »
- try to modify the isovalue from the Properties menu in the Viewer.
- try to use the 1D projector from the LabFloor to have a more quantitative analysis.
- we cannot reproduce it if you do not provide the nc file with device configuration or the original input script.
- you do not need to call update() before the analysis.
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sathyajit
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Re: script to calculate EDP from converged nc file
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Reply #2 on:
July 1, 2015, 16:03 »
Thanks Umberto. I modified Isovalue in the viewer and it's looking better.
But I am unable to use the 1D projector, it is too slow and it hangs after sometime. Is there any documentation for the 1D projector ?
Regards
Sathyajit
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script to calculate EDP from converged nc file