Search Results for "cubic"
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Showing 2 open source projects for "cubic"
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
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 :... -
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EoS Solver v1.0
Solves for molar volumes of 4 types of EoS
Solve four different cubic equations of state to obtain three roots of molar volume at a given temperature and pressure. These four cubic EoS are :- 1 Van der Waals equation of state 2 Redlich–Kwong equation of state 3 Soave modification of Redlich–Kwong 4 Peng–Robinson equation of state
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