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Gallery¶

Dissociation of oxygen on Pt(100)¶

../_images/o2pt100.png

ase.io o2pt100.py

Phase diagrams¶

ase.phasediagram ktao.py

Brillouin zones¶

ase.dft bz.py

Band-structure¶

../_images/cu.png

ase.dft.kpoints bs.py

Nudged elastic band calculations¶

../_images/diffusion-barrier.png

ase.neb barrier.py

Nanoparticle¶

../_images/culayer.png

ase.cluster cluster.py

Pretty pictures¶

../_images/spacegroup-cosb3.png

ase.spacegroup cosb3.py

Periodic table¶

../_images/ptable.png