[ase-users] ASE for post processing ...

[Chaitanya Krishna]

Hi Jonas,

Just need a clarification on a few things about the ASE module for VASP.

Suppose I want to use the vasp module from ase purely for post
processing and not to actually steer the calculation. That is what I
would like to do would be something like,

- Read OUTCAR and define the system
- Get some properties that I need
- Do some further processing on what I get from OUTCAR.

instead of the examples that we have for ASE like,

- Define system
- Run calculation
- Get properties.

If the above is possible can you send me a sample script, say just get
the forces on the atoms from OUTCAR.

Regards,
Chaitanya.