O2-dissoc.zip
O2-dissoc
O
O
nupdown=2
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
246 Bytes
KPOINTS
79 Bytes
OSZICAR
5.1 kB
OUTCAR
135.2 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
416 Bytes
vasp.out
5.7 kB
nupdown=null
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
233 Bytes
KPOINTS
79 Bytes
OSZICAR
2.6 kB
OUTCAR
77.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
405 Bytes
vasp.out
3.1 kB
O_h
encut=600
nupdown=2
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
246 Bytes
KPOINTS
79 Bytes
OSZICAR
2.7 kB
OUTCAR
79.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
436 Bytes
vasp.out
3.2 kB
nupdown=null
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
233 Bytes
KPOINTS
79 Bytes
OSZICAR
2.6 kB
OUTCAR
77.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
425 Bytes
vasp.out
3.1 kB
encut=700
nupdown=2
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
246 Bytes
KPOINTS
79 Bytes
OSZICAR
2.6 kB
OUTCAR
77.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
436 Bytes
vasp.out
3.2 kB
nupdown=null
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
233 Bytes
KPOINTS
79 Bytes
OSZICAR
2.6 kB
OUTCAR
77.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
425 Bytes
vasp.out
3.2 kB
encut=800
nupdown=null
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
233 Bytes
KPOINTS
79 Bytes
OSZICAR
2.5 kB
OUTCAR
75.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
425 Bytes
vasp.out
3.1 kB
encut=900
nupdown=null
CONTCAR
402 Bytes
DOSCAR
18.3 kB
EIGENVAL
720 Bytes
IBZKPT
132 Bytes
INCAR
233 Bytes
KPOINTS
79 Bytes
OSZICAR
2.1 kB
OUTCAR
65.5 kB
PCDAT
234 Bytes
POSCAR
304 Bytes
XDATCAR
245 Bytes
ase-sort.dat
13 Bytes
batch_job.sh
349 Bytes
runner.py
425 Bytes
vasp.out
2.6 kB
O2
O
CONTCAR
512 Bytes
DOSCAR
18.3 kB
EIGENVAL
952 Bytes
IBZKPT
132 Bytes
INCAR
263 Bytes
KPOINTS
79 Bytes
OSZICAR
6.3 kB
OUTCAR
170.5 kB
PCDAT
234 Bytes
POSCAR
365 Bytes
XDATCAR
595 Bytes
ase-sort.dat
26 Bytes
batch_job.sh
349 Bytes
fe.dat
280 Bytes
runner.py
491 Bytes
vasp.out
7.7 kB
vaspout.eps
28.8 kB
O_h
encut=600
CONTCAR
512 Bytes
DOSCAR
18.3 kB
EIGENVAL
952 Bytes
IBZKPT
132 Bytes
INCAR
263 Bytes
KPOINTS
79 Bytes
OSZICAR
10.4 kB
OUTCAR
264.5 kB
PCDAT
234 Bytes
POSCAR
365 Bytes
XDATCAR
803 Bytes
ase-sort.dat
26 Bytes
batch_job.sh
349 Bytes
fe.dat
420 Bytes
runner.py
523 Bytes
vasp.out
12.2 kB
vaspout.eps
29.3 kB
encut=700
CONTCAR
512 Bytes
DOSCAR
18.3 kB
EIGENVAL
952 Bytes
IBZKPT
132 Bytes
INCAR
263 Bytes
KPOINTS
79 Bytes
OSZICAR
7.5 kB
OUTCAR
200.5 kB
PCDAT
234 Bytes
POSCAR
365 Bytes
XDATCAR
699 Bytes
ase-sort.dat
26 Bytes
fe.dat
350 Bytes
runner.py
523 Bytes
vasp.out
9.1 kB
vaspout.eps
31.1 kB
encut=800
CONTCAR
512 Bytes
DOSCAR
18.3 kB
EIGENVAL
952 Bytes
IBZKPT
132 Bytes
INCAR
263 Bytes
KPOINTS
79 Bytes
OSZICAR
8.0 kB
OUTCAR
209.9 kB
PCDAT
234 Bytes
POSCAR
365 Bytes
XDATCAR
699 Bytes
ase-sort.dat
26 Bytes
batch_job.sh
349 Bytes
fe.dat
350 Bytes
runner.py
523 Bytes
vasp.out
9.5 kB
vaspout.eps
31.5 kB
encut=900
CONTCAR
512 Bytes
DOSCAR
18.3 kB
EIGENVAL
952 Bytes
IBZKPT
132 Bytes
INCAR
263 Bytes
KPOINTS
79 Bytes
OSZICAR
7.8 kB
OUTCAR
206.2 kB
PCDAT
234 Bytes
POSCAR
365 Bytes
XDATCAR
699 Bytes
ase-sort.dat
26 Bytes
fe.dat
350 Bytes
runner.py
523 Bytes
vasp.out
9.3 kB
vaspout.eps
30.3 kB