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#Use case 1
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### data and context
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ab-initio molecular simulations adsorption dynamics of CO2 on a CaO(001) surface with the FHI-aims code
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* ca. 400 files (Gaussian cube, 1 per time step) with each:
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* 51x51x97 zones (electron density tabulated on an equidistant Cartesian grid)
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* positions and identities of ca. 35 atoms
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### prepare the preconfigured VisIt session for UseCase1
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```
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