CP2K Open Source Molecular Dynamics

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exercises:2017_uzh_cmest:basic_electronic_structure [2017/09/27 11:16] – tmuellerexercises:2017_uzh_cmest:basic_electronic_structure [2017/09/27 11:17] – tmueller
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 ===== 1. Step: Run the calculation ===== ===== 1. Step: Run the calculation =====
  
-Create a new directory for this exercise and run a CP2K calculation with the following (commented) input file (look at [[exercises:2017_uzh_cmest:first_simulation_run|first exercise again to figure out how to run a simulation]]):+Create a new directory for this exercise and run a CP2K calculation with the following (commented) input file (look at the [[exercises:2017_uzh_cmest:first_simulation_run|first exercise again to figure out how to run a simulation]]):
  
 <code - ethene.inp > <code - ethene.inp >
exercises/2017_uzh_cmest/basic_electronic_structure.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1