Gallery

Contents

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.mep.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

Fine tuning POV-Ray settings for high quality images#

../_images/sqs_cell.png

tuning_povray_for_high_quality_images.py