exercises:2014_ethz_mmm:wannier
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionLast revisionBoth sides next revision | ||
| exercise:wannier [2014/05/01 12:48] – oschuett | exercise:2014_ethz_mmm:wannier [2014/10/15 13:34] – oschuett | ||
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| ===== 2. Task: Water Box ===== | ===== 2. Task: Water Box ===== | ||
| - | Repeat the previous calculation on a box of 64 water molecules. You can use the following SUBSYS-section. Since the water simulation uses periodic boundary condition, don't forget to turn of the Poisson solver. | + | Repeat the previous calculation on a box of 64 water molecules. You can use the following SUBSYS-section. Since the water simulation uses periodic boundary condition, don't forget to turn off the Poisson solver. |
| < | < | ||
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| ===== Required Files ===== | ===== Required Files ===== | ||
| - | {{:exercise:64water.coord.gz|}} | + | {{64water.coord.gz|}} |
| <code - caffeine.inp> | <code - caffeine.inp> | ||
exercises/2014_ethz_mmm/wannier.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1