Previous topic

TurboMole Coordinate format (tmol)

Next topic

ZINDO input format (zin)

This Page

VASP format (CONTCAR, POSCAR)ΒΆ

Reads in data from POSCAR and CONTCAR to obtain information from VASP calculations.

Due to limitations in Open Babel’s file handling, reading in VASP files can be a bit tricky; the client that is using Open Babel must use OBConversion::ReadFile() to begin the conversion. This change is usually trivial. Also, the complete path to the CONTCAR file must be provided, otherwise the other files needed will not be found.

Note

This is a read-only format.