Hello everyone, I have completed my NEB calculations and now want to generate a movie. I found a brief description of the `nebmovie.pl` script on the webpage and followed the instructions. I made sure to enable all necessary flags in the script:

  • $xdatflag = 1; # Enable XDATCAR writing

  • $xyzflag = 1; # Enable XYZ writing

Additionally, I have `pos2con.pl` and `con2xyz.pl` scripts in my directory. Running the script generated three files: `movie`, `movie.xyz`, and `movie.XDATCAR`. Also, in each image directory, I see `POSCAR.xyz` files. I have three questions:

  • 1. Does `nebmovie.pl` extract the `CONTCAR` files of each image and convert them into XYZ format? If so, what is the purpose of `POSCAR.xyz` in each image directory?
  • 2. What software should I use to visualize `movie.xyz`? I tried VESTA, but it didn’t explicitly generate anything.
  • 3. I've heard about VMD and OVITO Pro but am unsure how to use them for this purpose.
  • Could someone guide me on the best approach? Any help would be greatly appreciated! Thanks in advance!
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