exercises:2015_ethz_mmm:surface_au
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
exercises:2015_ethz_mmm:surface_au [2015/03/06 10:59] – yakutovich | exercises:2015_ethz_mmm:surface_au [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
---|---|---|---|
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 |
</ | </ | ||
+ | <note tip> | ||
Assignments: | Assignments: | ||
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 | ||
- Plot the same slabs, but adding periodic images in vmd: remember pbc set { a b c 90 90 90 }. | - Plot the same slabs, but adding periodic images in vmd: remember pbc set { a b c 90 90 90 }. | ||
- | + | </ | |
- | < | + | < |
exercises/2015_ethz_mmm/surface_au.1425639545.txt.gz · Last modified: 2020/08/21 10:14 (external edit)