CP2K Open Source Molecular Dynamics

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exercises:2017_uzh_cp2k-tutorial:wfc [2017/07/07 14:34] – [1. Task: Benzene dimer MP2 binding energy] vrybkinexercises:2017_uzh_cp2k-tutorial:wfc [2017/07/07 14:35] – [1. Task: Benzene dimer MP2 binding energy] vrybkin
Line 43: Line 43:
 integrate_four_center               71 12.3    2.261    4.012  108.805  109.179 integrate_four_center               71 12.3    2.261    4.012  108.805  109.179
 </code> </code>
 +The last number in the line is the real time of execution.
  
 ===== 2. Task: Benzene monomer RPA energy: frequency integration ===== ===== 2. Task: Benzene monomer RPA energy: frequency integration =====
exercises/2017_uzh_cp2k-tutorial/wfc.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1