CP2K Open Source Molecular Dynamics

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exercises:2016_ethz_mmm:bs [2016/05/27 13:58] – dpasseroneexercises:2016_ethz_mmm:bs [2016/05/27 14:36] – dpasserone
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 6. Copy the mol.save directory to scf.save. The scf-mol.save is required for the 'bands' calculation 6. Copy the mol.save directory to scf.save. The scf-mol.save is required for the 'bands' calculation
-   $ cp -rf mol.save/ scf.save/+   $ cp -rf mol.save/ scf-mol.save/
  
 **Non-Self-Consistent Field (NSCF) calculation:** **Non-Self-Consistent Field (NSCF) calculation:**
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 </note> </note>
  
-Don't forget to visit [[http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html/|QUANTUM ESPRESSO]] for more details about the input parameters!+Don't forget to visit [[http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html|QUANTUM ESPRESSO]] for more details about the input parameters!
exercises/2016_ethz_mmm/bs.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1