User Tools

Site Tools


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 14:18] 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:**
exercises/2016_ethz_mmm/bs.1464358717.txt.gz · Last modified: 2020/08/21 10:15 (external edit)