Error in importing XDATCAR for NVT and NPT MD

OVITO
1

When I try to import NVT XDATCAR, Ovito Basic only detects one frame. (“External file” > “Trajectory” says “showing frame 1 of 1”). The animation related buttons are grayed out.
When I try to import NPT XDATCAR, Ovito Basic give error “invalid atomic velocity vector in line xxx vasp of VASP file” (“External file” > “Status” says the error message)

2

Hi. I am not sure if you have variants of XDATCAR files here that OVITO does not fully understand. Is it possible for you to share the two files with us? I would like to take a look at them myself.

Important in any case: The files must have the string “XDATCAR” in their names. Otherwise OVITO cannot recognize that these are trajectory files and not POSCAR files.

1 Like
3

“The files must have the string “XDATCAR” in their names”
Thank you. I didn’t know this.