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- #!/bin/sh
- cd
- cd /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/G-hBN/LDA/Changing_z
- for shift in Shift_[[:digit:]]
- do
- cd shift
- for distance in [[:digit:]].[[:digit:]][[:digit:]]
- do
- cd $distance
- mkdir bands
- cp /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/INCAR Bands
- cp /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/KPOINTS Bands
- cp POSCAR Bands
- cp POTCAR Bands
- cp CHGCAR Bands
- mpirun -np 4 vasp
- cd ..
- done
- cd ..
- done
- for shift in Shift_[[:digit:]]_with_vdW
- do
- cd shift
- for distance in [[:digit:]].[[:digit:]][[:digit:]]
- do
- cd $distance
- mkdir bands
- cp /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/INCAR Bands
- cp /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/KPOINTS Bands
- cp POSCAR Bands
- cp POTCAR Bands
- cp CHGCAR Bands
- mpirun -np 4 vasp
- cd ..
- done
- cd ..
- done
- cd
- cd /afs/physnet.uni-hamburg.de/users/AU/jriebese/Desktop/Shift_1
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