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--- exercises:2018_ethz_mmm:adsorption_2018 [2018/04/13 10:33] – dpasserone
+++ exercises:2018_ethz_mmm:adsorption_2018 [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 4: / Line 4: @@
 In this exercise you will compute the adsorption energy of acetylene on a intermetallic catalyst.
-This process is important during the production of polyethylene, and the system is described in this paper: [[doi>10.1021%2Fja505936b]].
+This process is important during the production of polyethylene, and the system is described in this paper: [[doi>10.1021/ja505936b]].
 <note tip>
@@ Line 40: / Line 40: @@
 To process the cube files we are going to use the [[tools:cubecruncher | cubecruncher]] tool. It is part of CP2K and is in your exercise directory.
 <code>
-(aiida) max@qmobile:~/exercise_6$ ./cubecruncher.x -i S_M-ELECTRON_DENSITY-1_0.cube -subtract S.S.M-ELECTRON_DENSITY-1_0.cube -o tmp.cube
+(aiida) max@qmobile:~/exercise_6$ ./cubecruncher.x -i S_M-ELECTRON_DENSITY-1_0.cube -subtract S.S_M-ELECTRON_DENSITY-1_0.cube -o tmp.cube
-(aiida) max@qmobile:~/exercise_6$ ./cubecruncher.x -i tmp.cube -subtract M.S.M-ELECTRON_DENSITY-1_0.cube -o Delta_ads.cube
+(aiida) max@qmobile:~/exercise_6$ ./cubecruncher.x -i tmp.cube -subtract M.S_M-ELECTRON_DENSITY-1_0.cube -o Delta_ads.cube
 </code>
@@ Line 50: / Line 50: @@
 </code>
-You can visualize the resulting file ''delta_ads-centered.cube'' with VMD. This has been covered in a [[reaction_energy_2017| previous exercise]].
+You can visualize the resulting file ''delta_ads-centered.cube'' with VMD. This has been covered in a [[https://docker.axuan.wang/cp2k/exercises:2017_ethz_mmm:reaction_energy_2017|previous exercise]].
 <!-- What you get should look similar to this: