Convenient way to visualize the ELF3D.OUT and RHO3D.OUT

hello guys,

When you first use the owesome ELK to generate the ELf3D.OUT and RHO3D.OUT, you may follow the famous tutorial to visualize the ELF and RHO.
Here I found a more convenient way to do that.

I mean to do topolagical analyse. So i found the software Critic2 ,which has a interface to lots of quantuam software including ELK.

With the help of Critic2, one can change the ELF3D.OUT or RHO3D.OUT format directly to CHGCAR(VASP format, or Cube( gaussian format), or bincube( byte cube, smaller size).

Once you have install critic2, the following command may help do so:
first type critic2 in your terminal and enter the interactive model, type the following command step by step;

crystal GEOMETRY.OUT
load ELF3D.OUT
cube grid field 1 file bleh.bincube
cube grid field 1 file bleh.cube
cube grid field 1 file CHGCAR

The command could be found in the critic2 user's guide. I will explain simply here

read the crystal data
load grid data of ELF3D.OUT as the first field
write the field 1(the first field) as bleh.bincube
write the field 1(the first field) as bleh.cube
write the field 1(the first field) as CHGCAR

you may chose one of three format for the output.
after that, we can use Vesta to visualize the data.

Wish this help you.

Kai.

Myron Kapetanakis - 2019-05-23

Hello Kai,
Thanks for your post.
Do you know if critic2 is available for mac or windows, or only for linux?

Best
Myron

Jinkai Wang - 2019-05-24

Hi Myron Kapetanakis ,
Here is the link. https://github.com/aoterodelaroza/critic2

The author of Critic2 does not appoint particular system, but i use it on Ubuntu.

Since Critic2 needs Autoconf and Autoconf is for Unix-like system，so it may not be available for windows