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Remove Big balls from *cube files?

Posted: Sun Mar 26, 2023 6:42 am
by simba2828
Dear EPW experts,
Could anyone please suggest how to remove these big balls in cube files?

Thanks in advance.

Re: Remove Big balls from *cube files?

Posted: Mon Mar 27, 2023 1:58 pm
by gkafle1
Hi simba2828,

To remove the big balls, you can follow the following steps in VESTA:
1) go to the "Edit -> Edit Data -> phase" on the top left corner
2) you can see the list of phases labelled as "Cubfile created from EPW calculation"
3) select the last one and "Delete" that and then "Apply"

Now you will get rid of that ball.

One thing to mention, in the EPW calculations, if you set "iverbosity = 2", you can also find "frmsf" files readable using Fermisurfer software. In that case, you don't need to worry about the big balls :lol:.

Thanks!

Best
Gyanu

Re: Remove Big balls from *cube files?

Posted: Tue Mar 28, 2023 6:11 am
by simba2828
Dear Gkafle,

Thank you for your quick response and a nice suggestion. Though I recently installed Fermisurfer and I could visualize the Fermi surface file.

Shubham