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GEMDAT test data

The test data are from a short simulation using VASP (5000 time steps).

Extract data using:

tar -C short_simulation -xjf short_simulation/vasprun.xml.bz2

NPT (variable-lattice) data

short_simulation_npt/vasprun_npt.xml.bz2 holds the first 200 ionic steps of a Li6PS5Cl NPT run (ISIF=3, so the cell varies per frame). It is used to regression-test variable-lattice handling (see GEMDAT issue #394).

Extract data using:

tar -C short_simulation_npt -xjf short_simulation_npt/vasprun_npt.xml.bz2

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Test Data for GEMDAT

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