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--- 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>
-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
 </code>
+<note tip>
 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)
   - Comment on the (2x1) reconstruction: what do you see?
-  - 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
   - 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 }.
+</note>
-<note tip>Hint: you can save a configuration file in vmd and reuse it for a new sample! Ask the assistant!</note>
+<note important>Hint: you can save a configuration file in vmd and reuse it for a new sample! Ask the assistant!</note>