Create video/gif from XDATCAR

pymatgen
1

Hello, I would like to ask how to make a video/gif file from XDATCAR obtained from the AIMD calculation.

2

Hi @thienbinh92, this response may be a little late, OVITO is a good tool for visualizing XDATCAR, which can directly load the file and also is available for saving a video file.

3

Hello sir,

I already have vasprun.xml and other output file from VASP calculation,
How can I plot MSD–Δt and arrhenius plot by Pymatgen code?

Thank you so much for heling!

4

May be you can follow the steps of Pymatgen的骚操作系列（计算离子电导率） - 个人文章 - SegmentFault 思否

1 Like
5

That so helpful for me, Thank you so much!

6

my pleasure, our major is similar (SSEs)

7

Here is also a great tutorial/notebook about the pymatgen-analysis-diffusion from the materialsvirtuallab, which should be the package you would use.