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PhononA, Harmonicity and Anharmonicity Software, ver. 7.10, 64-bit

PhononA, was developed on Linux platform, Ubuntu 14.04 LTS. In order to use Phonon Software for ab initio phonon calculations you need also a license of an ab initio code, like VASP, Wien2k, or others, which can perform (i) quantum-mechanical supercell optimization and (2) determine the Hellmann-Feynman forces with sufficient precision, at least 0.000100 eV/Å.

PhononA needs a considerable amount of disk memory. Single project may require several GB.




Last update: December 31, 2017