search

stfc / aiida-mlip

machine learning interatomic potentials aiida plugin
https://stfc.github.io/aiida-mlip/
BSD 3-Clause "New" or "Revised" License
4 stars 5 forks source link

Phonons #6

Open oerc0122 opened 10 months ago

oerc0122 commented 10 months ago

Federica may check if we can not link directly into vibroscopy with our single point (#2) and optimisation (#3) already once they are done

ElliottKasoar commented 6 months ago

How does using vibroscopy work with the phonon calculations we're adding via janus?

Is the idea to allow either to be used, or just focus on linking to vibroscopy?