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ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :...

Blueprint XAS is a Matlab-based suite designed for the processing and analysis of near-edge x-ray absorption spectroscopy (XAS) data. The suite is designed primarily to assist users in exploring reasonable fit solutions while minimizing user bias.

...With some limitations, the code used in the simulation can be directly transferred to the SPHERES hardware. We are sharing this project with the public to gather more interest for SPHERES Guest Scientists. Feel free to use and contribute to this code base, just don't forget to credit the MIT Space Systems Lab if you distribute any results.