QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sitangshu on July 15, 2015, 07:18

Title: Electron localization function: Merging with atom locations
Post by: sitangshu on July 15, 2015, 07:18

Dear Sir,

We have generated an ELF with two interface planes normal to the transport direction, fully optimized. However, we want to merge the EFL with the atomic locations along the C-axis so that a more clear view an be obtained. How should one do this?
The attached file shows an example of what I want.

Regards,
Sitangshu

Title: Re: Electron localization function: Merging with atom locations
Post by: Dipankar Saha on July 15, 2015, 07:36

You can consider any of the view planes_like, XY, XZ,YZ etc. etc. ..... (as per your requirement) / In viewer....whether you are seeing the iso-surface or  the cut plane plot.... ;  to relate it with the atomic positions of your struct. ....all you need to do....is to simply drag your struct. from the LabFloor....and drop it on the iso-surface/ cut plane plot......   :)

Regards_
Dipankar

Title: Re: Electron localization function: Merging with atom locations
Post by: sitangshu on July 15, 2015, 08:58

Thanks!!