QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sathyajit on July 1, 2015, 13:23

Title: script to calculate EDP from converged nc file
Post by: sathyajit 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

Title: Re: script to calculate EDP from converged nc file
Post by: Umberto Martinez 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.

Title: Re: script to calculate EDP from converged nc file
Post by: sathyajit 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