exercises:2015_ethz_mmm:surface_au
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercises:2015_ethz_mmm:surface_au [2015/03/06 10:59] – yakutovich | exercises:2015_ethz_mmm:surface_au [2015/03/06 18:03] – yakutovich | ||
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| Line 68: | Line 68: | ||
| <code bash> | <code bash> | ||
| - | you@eulerxx $ cp2k.popt -i 100_rec.inp -o 100_rec.out | + | you@eulerxx $ bsub cp2k.popt -i 100_rec.inp -o 100_rec.out |
| - | you@eulerxx $ cp2k.popt -i 110_rec.inp -o 110_rec.out | + | you@eulerxx $ bsub cp2k.popt -i 110_rec.inp -o 110_rec.out |
| </ | </ | ||
| Line 77: | Line 77: | ||
| - Try to color the surfaces in vmd in a way that makes the height evident (ask the assistant) and produce snapshots (render) | - Try to color the surfaces in vmd in a way that makes the height evident (ask the assistant) and produce snapshots (render) | ||
| - Comment on the (2x1) reconstruction: | - Comment on the (2x1) reconstruction: | ||
| - | - Copy the 100_unr.xyz into a new file 110_my_rec.xyz | + | - Copy the 110_unr.xyz into a new file 110_my_rec.xyz |
| - Edit the file and remove one line each two on the two surfaces | - Edit the file and remove one line each two on the two surfaces | ||
| - Check that the result is the same as in 110_rec.xyz | - Check that the result is the same as in 110_rec.xyz | ||
exercises/2015_ethz_mmm/surface_au.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1