CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:2016_ethz_mmm:bs

Differences

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

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision		Previous revision
exercises:2016_ethz_mmm:bs [2016/05/27 13:58] – dpasseroneexercises:2016_ethz_mmm:bs [2020/08/21 10:15] (current) – external edit 127.0.0.1
Line 42: Line 42:
    $ grep “Fermi energy”  SCF.out | tail -1    $ grep “Fermi energy”  SCF.out | tail -1
  
-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-mol.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:**
Line 145: Line 145:
 </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.1464357512.txt.gz · Last modified: 2020/08/21 10:15 (external edit)