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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 :...

RSTT is a software package that improves the accuracy of regional seismic travel time prediction and event location. The software package includes a computerized representation of 3-dimensional seismic wave speed for Earth's crust and shallow mantle (the outer-most 100 to 200 km of the Earth) and algorithms to calculate travel times for waves that are commonly used to locate events. RSTT was designed with real-time monitoring in mind and travel times can be computed on the fly in...

ConGENER package is a set of combinatorial-computational tools to study families of halogen substituted molecules, so called congeners.