Hi everyone,
I tried to use ovito (basic) to read the XDATCAR output from vasp 6.4.3 but there is a parsing error. Does anyone know what happens there? I downloaded the newest ovito and the error remains. The XDATCAR is the output from MD simulation under NpT ensemble.
Many thanks
Hubin
The newly downloaded ovito works fine. Sorry for the inconvenience.
FYI: It seems that the old version deletes atomic positions from XDATCAR when it has parsing error and I missed to check the XDATCAR before I use the newly installed ovito.
Best
Hubin
Are you sure that the original XDATCAR file used in your initial test was valid and not simultaneously modified by another application on your system? OVITO does not alter its input structure files. The only way files on disk can be modified through OVITO is via the “export file” function.