exercises:2014_ethz_mmm:geometry_optimization
Differences
This shows you the differences between two versions of the page.
| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercise:geometry_optimization [2014/02/21 11:28] – oschuett | exercise:geometry_optimization [2014/02/21 16:24] – oschuett | ||
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| ====== Geometry Optimization ====== | ====== Geometry Optimization ====== | ||
| - | In this exercise you will run a geometry optimization calculation, | + | In this exercise you will run a geometry optimization calculation, |
| === 1. Step === | === 1. Step === | ||
| Line 39: | Line 39: | ||
| &END MM | &END MM | ||
| &SUBSYS | &SUBSYS | ||
| - | | + | &CELL |
| ABC [angstrom] 10 10 10 | ABC [angstrom] 10 10 10 | ||
| PERIODIC NONE | PERIODIC NONE | ||
exercises/2014_ethz_mmm/geometry_optimization.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1