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Examples of input (and output) files can be found in the code in __examples/__ __4N-coronene/__ __CuPc/__ and __TOAT/__ . | Examples of input (and output) files can be found in the code in __examples/__ __4N-coronene/__ __CuPc/__ and __TOAT/__ . | ||
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+ | Note: CP2K reading procedure was mainly written by Ole Schütt, those days working at EMPA, Switzerland. |