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Tyler C. Sterling's Projects

conf icon conf

configuration files for various things, e.g. vimrc

elphmod icon elphmod

Python modules to handle electron-phonon models

lattice-pynamics icon lattice-pynamics

A python suite for analyzing lattice dynamics based on molecular dynamics trajectories

multizone_phonon_refinement icon multizone_phonon_refinement

Fit phonon data from many Q-points, which come from the same reduced-q. By simultaneous fitting of many Brillouin Zones, good results can be achieved.

phonon-sed icon phonon-sed

Python codes to calculate phonon spectral energy density from LAMMPS velocity data.

powder-spectrum icon powder-spectrum

Compute INS 'powder spectrum' by generate a 'uniform' mesh of Q-points with length |Q|, then calling SNAXS to compute SQW on the grid.

pynamic-structure-factor icon pynamic-structure-factor

python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parallelism over Q-points.

snaxs icon snaxs

Simulating Neutron And X-ray Scans; a tool for condensed-matter scientists studying phonons using neutron scattering

wannier_tools icon wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

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