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exercises:2025_cp2k_crystallography:ex1

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exercises:2025_cp2k_crystallography:ex1 [2025/09/26 11:36] – bsertcanexercises:2025_cp2k_crystallography:ex1 [2025/09/26 13:06] (current) – bsertcan
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-**Task:** Obtain the CIF file from the WebCSD (Refcode LALNIN23) and load it into CP2K in place of manual coordinates.+**Task:** Obtain the CIF file from the WebCSD (Refcode LALNIN23) and load it into CP2K in place of manual coordinates. You can compare your input to the example [[https://github.com/JWilhelm/CP2K_Computational_Methods_in_Crystallography/tree/main/1_Electronic_energy_of_the_L-alanine_crystal|here]].
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exercises/2025_cp2k_crystallography/ex1.txt · Last modified: by bsertcan