How to generate 2D slices of ELF?

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Biswajit Sadhu

Dear Shawkat,

You can use Multiwfn software to plot ELF. It is a free software. It requires .wfn file for ELF generation.

Regards,

Biswajit

Shilendra Kumar Sharma

Can we analyze VASP output files ELFCAR and CHGCAR from this software ?

Thank You

Shilendra

Zongxiang Hu

using visualization software vesta

Shawkat M Islam

I can view it with vesta but how to cut 2d slices?

Can you please give more details on that.

Thanks

You can find "2D data dsiplay‘’ in menu, then a visual option "Slice"can realize 2D ELF visualization.

Sinhué López

XCrysDen is a very easy and nice program to see the ELFCAR, first you have to convert the ELFCAR to ELFCAR.xsf with the v2xsf script from Jens Kunstmann (http://theory.chm.tu-dresden.de/~jk/software.html), after that is pretty easy to use it to see the information from ELFCAR. Attached is a picture from a 2d slice of graphene layer with OH units. If you wish a figure for a paper the best option is to use VESTA, but, if you just want to see the results is easiest and faster to use xcrysden.

Regards

Aditya Kumar

Use Vesta for 2D slice of ELF....

Ismail Shahid

You can you use VESTA software. For this you should have ELFCAR.

Brajesh Rajesh Bhagat

Open the cube file using vesta and you will see iso-surface, and in utilities go through 2D data display and click on the slice there you will find hkl plane select it along with the distance from the origin and apply. You will see the 2D slice in any plane you want and from any distance from origin.

Dr. Sambath Baskaran

Please follow the following video for step by step approch to plot the ELF

Link: https://youtu.be/Uzpb571CdI4?si=Bmax8St5DkvtAsFN