Differences

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--- exercise:mo_ethene [2014/03/27 16:21] – [3. Step] oschuett
+++ exercise:2014_ethz_mmm:mo_ethene [2014/10/15 12:41] – exercise:mo_ethene renamed to exercise:2014_ethz_mmm:mo_ethene oschuett
@@ Line 163: / Line 163: @@
 ∗.cube files report the structure of a given MO and can be visualized with VMD:
-  * To run vmd: vmd ethene-WFN_00008_1-1_0.cub
+  * To run vmd: vmd ethene-WFN_00008_1-1_0.cube
-  * To visualize the moelcule (sometimes the default settings are not visible with VMD in Brutus):\\    Graphics > Representations > Draw style > Drawing Method: CPK
+  * To visualize the molecule (sometimes the default settings are not visible with VMD in Brutus):\\    Graphics > Representations > Draw style > Drawing Method: CPK
   * To visualize the MO structure in VMD:\\    Graphics > Representations > Draw style > Drawing Method: Isosurfaces
   * In  Isosurfaces, set Draw to "Wireframe" (other formats may not be visible with VMD in Brutus)
   * In Isosurfaces, set Isovalue to 0.1, 0.01 ...
+  * To visualize the positive and the negative part of an orbital simultaneously, add a second isosurface representation with isovalues -0.1, -0.01, ...
+  * To give the two representations different colors, set their "Coloring Method" to "ColorID" and choose different ids.
 What you get should look similar to this: