PtO2-nps.zip
PtO2-nps
Pt116O232
structure0
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
597.7 kB
OUTCAR
40.6 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
Pt116O232_0.xyz
19.1 kB
XDATCAR
1.7 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
38.6 kB
DOSCAR
18.3 kB
EIGENVAL
99.4 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
330.7 kB
OUTCAR
27.6 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
1.3 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
fe.dat
6.8 kB
runner.py
153 Bytes
vasp.out
353.0 kB
vaspout.eps
34.4 kB
fe.dat
9.1 kB
runner.py
454 Bytes
vasp.out
627.0 kB
vaspout.eps
35.0 kB
structure1
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
638.3 kB
OUTCAR
35.8 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
Pt116O232.cif
22.1 kB
XDATCAR
1.3 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
632.2 kB
OUTCAR
35.1 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
1.3 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
continue=2
CONTCAR
38.6 kB
DOSCAR
18.3 kB
EIGENVAL
99.4 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
493.3 kB
OUTCAR
57.9 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
3.0 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
fe.dat
15.9 kB
runner.py
153 Bytes
vasp.out
542.7 kB
vaspout.eps
40.6 kB
fe.dat
6.9 kB
runner.py
153 Bytes
vasp.out
654.6 kB
vaspout.eps
34.2 kB
fe.dat
7.0 kB
runner.py
452 Bytes
vasp.out
661.0 kB
vaspout.eps
34.1 kB
structure2
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
549.0 kB
OUTCAR
26.9 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
Pt116O232.cif
22.8 kB
XDATCAR
888.1 kB
ase-sort.dat
4.5 kB
batch_job.sh
352 Bytes
continue=1
CONTCAR
38.6 kB
DOSCAR
18.3 kB
EIGENVAL
99.4 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
390.5 kB
OUTCAR
34.0 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
1.6 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
fe.dat
8.5 kB
runner.py
153 Bytes
vasp.out
417.5 kB
vaspout.eps
35.2 kB
fe.dat
4.7 kB
runner.py
452 Bytes
vasp.out
564.9 kB
vaspout.eps
31.9 kB
structure3
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
1.0 MB
OUTCAR
58.8 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
Pt116O232.cif
22.9 kB
XDATCAR
2.3 MB
ase-sort.dat
4.5 kB
batch_job.sh
352 Bytes
continue=1
CONTCAR
38.6 kB
DOSCAR
18.3 kB
EIGENVAL
99.4 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
641.3 kB
OUTCAR
54.2 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
2.6 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
fe.dat
13.7 kB
runner.py
153 Bytes
vasp.out
683.9 kB
vaspout.eps
40.5 kB
fe.dat
12.0 kB
runner.py
452 Bytes
vasp.out
1.1 MB
vaspout.eps
37.9 kB
structure4
CONTCAR
38.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
971.4 kB
OUTCAR
59.9 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
Pt116O232.cif
22.9 kB
XDATCAR
2.4 MB
ase-sort.dat
4.5 kB
batch_job.sh
352 Bytes
continue=1
CONTCAR
38.6 kB
DOSCAR
18.3 kB
EIGENVAL
99.4 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
937.7 kB
OUTCAR
94.2 MB
PCDAT
234 Bytes
POSCAR
21.5 kB
XDATCAR
4.7 MB
ase-sort.dat
4.5 kB
batch_job.sh
351 Bytes
fe.dat
24.9 kB
runner.py
153 Bytes
vasp.out
1.0 MB
vaspout.eps
47.9 kB
fe.dat
12.7 kB
runner.py
452 Bytes
vasp.out
1.0 MB
vaspout.eps
39.2 kB
Pt201O402
structure0
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
459.9 kB
OUTCAR
36.1 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
Pt201O402_0.xyz
32.9 kB
XDATCAR
1.7 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
66.6 kB
DOSCAR
18.3 kB
EIGENVAL
171.9 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
450.4 kB
OUTCAR
58.3 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
XDATCAR
3.1 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
fe.dat
9.6 kB
runner.py
153 Bytes
vasp.out
481.3 kB
vaspout.eps
35.9 kB
fe.dat
5.0 kB
runner.py
454 Bytes
vasp.out
477.2 kB
vaspout.eps
32.4 kB
structure1
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
483.1 kB
OUTCAR
38.4 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
Pt201O402.cif
37.9 kB
XDATCAR
1.8 MB
ase-sort.dat
7.8 kB
batch_job.sh
352 Bytes
continue=1
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
488.2 kB
OUTCAR
43.6 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
XDATCAR
2.1 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
continue=2
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
451.2 kB
OUTCAR
32.9 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
XDATCAR
1.4 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
fe.dat
4.4 kB
runner.py
153 Bytes
vasp.out
466.6 kB
vaspout.eps
31.9 kB
fe.dat
6.4 kB
runner.py
153 Bytes
vasp.out
509.8 kB
vaspout.eps
34.2 kB
fe.dat
5.4 kB
runner.py
452 Bytes
vasp.out
501.4 kB
vaspout.eps
32.8 kB
structure2
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
471.1 kB
OUTCAR
32.3 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
Pt201O402.cif
39.2 kB
XDATCAR
1.4 MB
ase-sort.dat
7.8 kB
batch_job.sh
352 Bytes
continue=1
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
477.5 kB
OUTCAR
34.8 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
XDATCAR
1.5 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
continue=2
CONTCAR
66.6 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
526.4 kB
OUTCAR
71.8 MB
PCDAT
234 Bytes
POSCAR
37.0 kB
XDATCAR
3.9 MB
ase-sort.dat
7.8 kB
batch_job.sh
351 Bytes
fe.dat
12.0 kB
runner.py
153 Bytes
vasp.out
564.3 kB
vaspout.eps
37.8 kB
fe.dat
4.7 kB
runner.py
153 Bytes
vasp.out
494.0 kB
vaspout.eps
32.2 kB
fe.dat
4.2 kB
runner.py
452 Bytes
vasp.out
485.9 kB
vaspout.eps
31.1 kB
Pt38O76
structure0
CONTCAR
12.8 kB
DOSCAR
18.3 kB
EIGENVAL
32.7 kB
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
405.1 kB
OUTCAR
20.6 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
Pt38O76_0.xyz
6.5 kB
XDATCAR
680.3 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
fe.dat
10.9 kB
runner.py
452 Bytes
vasp.out
438.6 kB
vaspout.eps
37.5 kB
structure1
CONTCAR
12.8 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
585.2 kB
OUTCAR
23.6 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
Pt38O76.cif
7.8 kB
XDATCAR
597.5 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
continue=1
CONTCAR
12.8 kB
DOSCAR
18.3 kB
EIGENVAL
32.7 kB
IBZKPT
132 Bytes
INCAR
294 Bytes
KPOINTS
79 Bytes
OSZICAR
639.9 kB
OUTCAR
32.4 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
XDATCAR
1.1 MB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
fe.dat
17.1 kB
runner.py
153 Bytes
vasp.out
691.9 kB
vaspout.eps
41.4 kB
fe.dat
9.6 kB
runner.py
450 Bytes
vasp.out
614.9 kB
vaspout.eps
35.6 kB
structure2
CONTCAR
12.8 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
615.0 kB
OUTCAR
23.5 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
Pt38O76.cif
7.8 kB
XDATCAR
553.9 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
continue=1
CONTCAR
12.8 kB
DOSCAR
18.3 kB
EIGENVAL
32.7 kB
IBZKPT
132 Bytes
INCAR
294 Bytes
KPOINTS
79 Bytes
OSZICAR
274.0 kB
OUTCAR
16.2 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
XDATCAR
593.1 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
fe.dat
9.5 kB
runner.py
153 Bytes
vasp.out
303.3 kB
vaspout.eps
35.6 kB
fe.dat
8.9 kB
runner.py
450 Bytes
vasp.out
642.6 kB
vaspout.eps
34.7 kB
structure3
CONTCAR
12.8 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
690.5 kB
OUTCAR
26.0 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
Pt38O76.cif
7.9 kB
XDATCAR
636.7 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
continue=1
CONTCAR
12.8 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
294 Bytes
KPOINTS
79 Bytes
OSZICAR
982.7 kB
OUTCAR
40.1 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
XDATCAR
1.1 MB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
continue=2
CONTCAR
12.8 kB
DOSCAR
18.3 kB
EIGENVAL
32.7 kB
IBZKPT
132 Bytes
INCAR
294 Bytes
KPOINTS
79 Bytes
OSZICAR
425.6 kB
OUTCAR
23.1 MB
PCDAT
234 Bytes
POSCAR
7.2 kB
XDATCAR
867.8 kB
ase-sort.dat
1.5 kB
batch_job.sh
350 Bytes
fe.dat
13.9 kB
runner.py
153 Bytes
vasp.out
468.0 kB
vaspout.eps
40.4 kB
fe.dat
18.1 kB
runner.py
153 Bytes
vasp.out
1.0 MB
vaspout.eps
42.1 kB
fe.dat
10.2 kB
runner.py
450 Bytes
vasp.out
722.0 kB
vaspout.eps
36.4 kB
Pt79O158
structure0
CONTCAR
26.4 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
441.5 kB
OUTCAR
20.1 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
Pt79O158_0.xyz
13.1 kB
XDATCAR
632.6 kB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
26.4 kB
DOSCAR
18.3 kB
EIGENVAL
68.1 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
354.6 kB
OUTCAR
28.6 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
XDATCAR
1.3 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
fe.dat
10.4 kB
runner.py
153 Bytes
vasp.out
387.1 kB
vaspout.eps
37.1 kB
fe.dat
4.9 kB
runner.py
453 Bytes
vasp.out
457.6 kB
vaspout.eps
32.3 kB
structure1
CONTCAR
26.4 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
471.9 kB
OUTCAR
21.5 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
Pt79O158.cif
15.8 kB
XDATCAR
677.7 kB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
26.4 kB
DOSCAR
18.3 kB
EIGENVAL
68.1 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
758.6 kB
OUTCAR
46.5 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
XDATCAR
1.9 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
fe.dat
14.7 kB
runner.py
153 Bytes
vasp.out
803.6 kB
vaspout.eps
39.4 kB
fe.dat
5.2 kB
runner.py
451 Bytes
vasp.out
488.9 kB
vaspout.eps
32.7 kB
structure2
CONTCAR
26.4 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
397.7 kB
OUTCAR
18.0 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
Pt79O158.cif
15.8 kB
XDATCAR
542.2 kB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
26.4 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
819.4 kB
OUTCAR
41.2 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
XDATCAR
1.4 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
continue=2
CONTCAR
26.4 kB
DOSCAR
18.3 kB
EIGENVAL
68.1 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
477.4 kB
OUTCAR
42.4 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
XDATCAR
2.0 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
fe.dat
15.4 kB
runner.py
153 Bytes
vasp.out
524.8 kB
vaspout.eps
40.4 kB
fe.dat
10.8 kB
runner.py
153 Bytes
vasp.out
852.9 kB
vaspout.eps
38.2 kB
fe.dat
4.2 kB
runner.py
451 Bytes
vasp.out
411.6 kB
vaspout.eps
31.3 kB
structure3
CONTCAR
26.4 kB
DOSCAR
167 Bytes
EIGENVAL
193 Bytes
IBZKPT
132 Bytes
INCAR
280 Bytes
KPOINTS
79 Bytes
OSZICAR
468.1 kB
OUTCAR
26.3 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
Pt79O158_3.xyz
13.1 kB
XDATCAR
1.0 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
continue=1
CONTCAR
26.4 kB
DOSCAR
18.3 kB
EIGENVAL
68.1 kB
IBZKPT
132 Bytes
INCAR
295 Bytes
KPOINTS
79 Bytes
OSZICAR
774.3 kB
OUTCAR
58.2 MB
PCDAT
234 Bytes
POSCAR
14.7 kB
XDATCAR
2.6 MB
ase-sort.dat
3.1 kB
batch_job.sh
351 Bytes
fe.dat
20.5 kB
runner.py
153 Bytes
vasp.out
837.1 kB
vaspout.eps
44.0 kB
fe.dat
7.8 kB
runner.py
453 Bytes
vasp.out
493.0 kB
vaspout.eps
34.4 kB