Discover @jbuckeridge Open Source projects

John Buckeridge (@jbuckeridge)

jbuckeridge

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Location 🇬🇧 United Kingdom
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cplap

CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of the constituent elements' chemical potentials within which it is stable, in comparison with competing phases and the elemental forms.

sc-fermi

Calculates self-consistent Fermi level given defect formation energies and the density of states.

get-allowed-3ph

Determines the allowed 3-phonon interactions for a given set of phonon frequencies on a grid of q points.

pol-raman

Code to calculate polarisation-dependent Raman intensities