exercises:2025_cp2k_crystallography:ex1
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| exercises:2025_cp2k_crystallography:ex1 [2025/09/26 11:28] – bsertcan | exercises:2025_cp2k_crystallography:ex1 [2025/09/26 13:06] (current) – bsertcan | ||
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| ===== Input files ===== | ===== Input files ===== | ||
| - | We first look at the input files required for this calculation, | + | We first look at the files required for this calculation, |
| * '' | * '' | ||
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| <note classic> | <note classic> | ||
| - | **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:// |
| </ | </ | ||
exercises/2025_cp2k_crystallography/ex1.1758886129.txt.gz · Last modified: by bsertcan
