Differences

This shows you the differences between two versions of the page.

--- exercises:2017_uzh_cp2k-tutorial:wfc [2017/07/07 15:02] – [1. Task: Benzene dimer MP2 binding energy] vrybkin
+++ exercises:2017_uzh_cp2k-tutorial:wfc [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 51: / Line 51: @@
 </code>
-At the optimized (or the most optimized) geometry of benzene monomer perform a Hartree-Fock calculation to compare electron densities. Visualize them with VMD. Electron density difference between MP2 and HF looks as follows:
+At the optimized (or the most optimized) geometry of benzene monomer perform a Hartree-Fock calculation to compare electron densities. Visualize them with VMD.
-{{ :exercises:2017_uzh_cp2k-tutorial:benzene_diff.png?400 |}}
+ Density differences can be computed with ''cubecruncher'' available in the executable directory.
 ===== 2. Task: Benzene monomer RPA energy: frequency integration =====