[ase-users] Vibration analysis

[Offermans Willem]

Dear ASE friends,

I’m calculating adsorbates on a metal slab.

To fully characterise the obtained states, I like to perform a vibrational analysis.

However not all slab atoms need to be considered for the analysis. It appears to be sufficient to include only the surface metal atoms and to ignore the inner metal atoms.

How can this be achieved with ASE?

I tried to fix the respective atoms, but this does not appear to work.

An example python file would be highly appreciated, but is not necessary.


Met vriendelijke groeten,
Mit freundlichen Grüßen,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

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