2021_Unified_NatureCatal_to_MaterialsCloud.zip
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scaling_TM
.complete_data
57.0 kB
calculations
1_rls_etransfer
databases
sampling_FeNC
cineb
.complete_data
160 Bytes
INCAR
677 Bytes
KPOINTS
79 Bytes
err
1.9 kB
neb.traj
20.4 kB
run_list_1
90 Bytes
run_vasp.py
1.3 kB
single_atom_rls.db
528.4 kB
state_00
OUTCAR
303.6 kB
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.5 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
state_01
DOSCAR
2.4 MB
OSZICAR
42.6 kB
OUTCAR
5.5 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.6 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
state_02
DOSCAR
2.4 MB
OSZICAR
41.4 kB
OUTCAR
5.5 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
35.8 kB
OUTCAR
504.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
145.0 kB
run_vasp.py
1.3 kB
vasp.out
72.5 kB
vasprun.xml
7.8 MB
stdout
62.8 kB
state_03
DOSCAR
2.4 MB
OSZICAR
44.0 kB
OUTCAR
5.6 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.4 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
stdout
66.0 kB
state_04
DOSCAR
2.4 MB
OSZICAR
42.4 kB
OUTCAR
5.5 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.5 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
stdout
64.1 kB
state_05
DOSCAR
2.4 MB
OSZICAR
43.6 kB
OUTCAR
5.5 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
35.2 kB
OUTCAR
498.0 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.2 kB
run_vasp.py
1.3 kB
vasp.out
71.4 kB
vasprun.xml
7.8 MB
stdout
65.7 kB
state_06
DOSCAR
2.4 MB
OSZICAR
44.7 kB
OUTCAR
5.6 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.4 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
143.8 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
stdout
67.0 kB
state_07
DOSCAR
2.4 MB
OSZICAR
51.4 kB
OUTCAR
5.6 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
34.4 kB
OUTCAR
490.0 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
144.4 kB
run_vasp.py
1.3 kB
vasp.out
70.0 kB
vasprun.xml
7.8 MB
stdout
75.5 kB
state_08
DOSCAR
2.4 MB
OSZICAR
47.6 kB
OUTCAR
5.6 MB
REPORT
0 Bytes
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
26.1 kB
OUTCAR
400.5 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
145.2 kB
run_vasp.py
1.3 kB
vasp.out
54.0 kB
vasprun.xml
7.7 MB
stdout
70.7 kB
state_09
OUTCAR
2.1 MB
dos
DOSCAR
2.4 MB
INCAR
456 Bytes
KPOINTS
79 Bytes
OSZICAR
37.2 kB
OUTCAR
520.5 kB
REPORT
0 Bytes
out.energy
14 Bytes
pdos.json
145.6 kB
run_vasp.py
1.3 kB
vasp.out
75.4 kB
vasprun.xml
7.8 MB
submit_scriptVASP.sh
384 Bytes
submit_scriptVASP_1.sh
790 Bytes
vasp.out
66.4 kB
sampling_FeNP
archive
cineb
00
01
DOSCAR
705.3 kB
OSZICAR
213.0 kB
OUTCAR
13.5 MB
REPORT
0 Bytes
02
DOSCAR
705.3 kB
OSZICAR
235.1 kB
OUTCAR
14.1 MB
REPORT
0 Bytes
stdout
281.4 kB
03
DOSCAR
705.3 kB
OSZICAR
251.1 kB
OUTCAR
14.5 MB
REPORT
0 Bytes
stdout
297.5 kB
04
DOSCAR
705.3 kB
OSZICAR
251.2 kB
OUTCAR
14.5 MB
REPORT
0 Bytes
stdout
297.5 kB
05
DOSCAR
705.3 kB
OSZICAR
250.0 kB
OUTCAR
14.5 MB
REPORT
0 Bytes
stdout
296.3 kB
06
INCAR
463 Bytes
KPOINTS
79 Bytes
err
3.6 kB
neb.traj
5.8 kB
run_vasp.py
1.6 kB
slurm.3379925.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
259.5 kB
vasprun.xml
4.0 MB
cineb
.complete_data
96 Bytes
INCAR
463 Bytes
KPOINTS
79 Bytes
nanoparticle_rls.db
229.4 kB
neb.traj
5.0 kB
run_list_1
54 Bytes
run_vasp.py
2.2 kB
state_00
OUTCAR
7.1 MB
dos
DOSCAR
705.3 kB
INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
3.7 kB
OUTCAR
141.7 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.1 kB
run_vasp.py
2.2 kB
vasp.out
5.0 kB
vasprun.xml
948.7 kB
wf.out
19 Bytes
state_01
DOSCAR
705.3 kB
OSZICAR
85.8 kB
OUTCAR
5.4 MB
REPORT
0 Bytes
dos
DOSCAR
705.3 kB
INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
3.7 kB
OUTCAR
141.7 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.2 kB
run_vasp.py
2.2 kB
vasp.out
5.0 kB
vasprun.xml
948.7 kB
wf.out
18 Bytes
state_02
DOSCAR
705.3 kB
OSZICAR
93.2 kB
OUTCAR
5.5 MB
REPORT
0 Bytes
dos
DOSCAR
705.3 kB
INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
3.7 kB
OUTCAR
141.7 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.3 kB
run_vasp.py
2.2 kB
vasp.out
5.0 kB
vasprun.xml
948.7 kB
wf.out
19 Bytes
stdout
112.1 kB
state_03
DOSCAR
705.3 kB
OSZICAR
98.6 kB
OUTCAR
5.7 MB
REPORT
0 Bytes
dos
DOSCAR
705.3 kB
INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
3.7 kB
OUTCAR
141.7 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.0 kB
run_vasp.py
2.2 kB
vasp.out
5.0 kB
vasprun.xml
948.7 kB
wf.out
18 Bytes
stdout
117.6 kB
state_04
DOSCAR
705.3 kB
OSZICAR
106.6 kB
OUTCAR
5.9 MB
REPORT
0 Bytes
dos
DOSCAR
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INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
152.0 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.3 kB
run_vasp.py
2.2 kB
vasp.out
5.3 kB
vasprun.xml
951.0 kB
wf.out
18 Bytes
stdout
125.6 kB
state_05
OUTCAR
3.6 MB
dos
DOSCAR
705.3 kB
INCAR
393 Bytes
KPOINTS
79 Bytes
OSZICAR
3.9 kB
OUTCAR
146.9 kB
REPORT
0 Bytes
out.energy
13 Bytes
pdos.json
101.7 kB
run_vasp.py
2.2 kB
vasp.out
5.2 kB
vasprun.xml
949.8 kB
wf.out
18 Bytes
submit_scriptVASP_1.sh
789 Bytes
vasp.out
104.9 kB
vasprun.xml
2.1 MB
neb
00
01
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OSZICAR
89.1 kB
OUTCAR
5.6 MB
REPORT
0 Bytes
02
DOSCAR
705.3 kB
OSZICAR
103.1 kB
OUTCAR
6.0 MB
REPORT
0 Bytes
stdout
123.1 kB
03
DOSCAR
705.3 kB
OSZICAR
108.1 kB
OUTCAR
6.1 MB
REPORT
0 Bytes
stdout
128.1 kB
04
DOSCAR
705.3 kB
OSZICAR
108.6 kB
OUTCAR
6.1 MB
REPORT
0 Bytes
stdout
128.6 kB
05
06
INCAR
464 Bytes
KPOINTS
79 Bytes
err
3.6 kB
neb.traj
5.0 kB
run_vasp.py
1.6 kB
slurm.3378615.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
109.2 kB
vasprun.xml
2.2 MB
neb_longer_path
.vscode
settings.json
43 Bytes
00
OUTCAR
7.1 MB
01
DOSCAR
705.3 kB
OSZICAR
264.1 kB
OUTCAR
14.8 MB
REPORT
0 Bytes
02
DOSCAR
705.3 kB
OSZICAR
380.6 kB
OUTCAR
17.8 MB
REPORT
0 Bytes
stdout
426.9 kB
03
DOSCAR
705.3 kB
OSZICAR
461.2 kB
OUTCAR
19.8 MB
REPORT
0 Bytes
stdout
507.5 kB
04
DOSCAR
705.3 kB
OSZICAR
460.0 kB
OUTCAR
19.8 MB
REPORT
0 Bytes
stdout
506.3 kB
05
06
OUTCAR
3.6 MB
INCAR
464 Bytes
KPOINTS
79 Bytes
err
3.6 kB
neb.traj
5.0 kB
run_vasp.py
1.6 kB
slurm.3377324.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
310.5 kB
vasprun.xml
5.9 MB
plot_dos.py
5.3 kB
state_FS
DOSCAR
705.3 kB
INCAR
395 Bytes
KPOINTS
79 Bytes
OSZICAR
99.9 kB
OUTCAR
3.6 MB
REPORT
0 Bytes
err
0 Bytes
init.traj
725 Bytes
out.energy
13 Bytes
run_vasp.py
2.2 kB
slurm.3374847.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
115.9 kB
vasprun.xml
1.7 MB
state_IS
DOSCAR
705.3 kB
INCAR
395 Bytes
KPOINTS
79 Bytes
OSZICAR
175.7 kB
OUTCAR
7.1 MB
REPORT
0 Bytes
err
1.9 kB
init.traj
668 Bytes
out.energy
13 Bytes
run_vasp.py
2.2 kB
slurm.3374849.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
212.8 kB
vasprun.xml
2.4 MB
state_neb_2_FS
DOSCAR
705.3 kB
INCAR
395 Bytes
KPOINTS
79 Bytes
OSZICAR
105.3 kB
OUTCAR
4.0 MB
REPORT
0 Bytes
err
1.9 kB
init.traj
614 Bytes
out.energy
13 Bytes
run_vasp.py
2.2 kB
slurm.3381501.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
125.3 kB
vasprun.xml
1.8 MB
state_neb_FS
DOSCAR
705.3 kB
INCAR
395 Bytes
KPOINTS
79 Bytes
OSZICAR
60.1 kB
OUTCAR
2.8 MB
REPORT
0 Bytes
err
1.9 kB
init.traj
983 Bytes
out.energy
13 Bytes
run_vasp.py
2.2 kB
slurm.3378233.out
0 Bytes
submit_scriptVASP.sh
447 Bytes
vasp.out
78.2 kB
vasprun.xml
1.5 MB
2_thermodynamic_calculations
HSE_RPBE_compare_Ni
N_doped
vacancy_1
dopant_0
hse
state_CO
run_vasp.py
1.6 kB
submit_scriptVASP.sh
449 Bytes
state_COOH
run_vasp.py
1.6 kB
submit_scriptVASP.sh
449 Bytes
state_implicit_CO
run_vasp.py
1.9 kB
state_implicit_COOH
run_vasp.py
1.9 kB
state_implicit_slab
run_vasp.py
1.9 kB
state_slab
run_vasp.py
1.6 kB
submit_scriptVASP.sh
449 Bytes
rpbe
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INCAR
434 Bytes
KPOINTS
79 Bytes
OSZICAR
55.6 kB
OUTCAR
10.2 MB
d_center.txt
19 Bytes
err
218 Bytes
init.traj
1.4 kB
out.energy
14 Bytes
run_vasp.py
2.2 kB
slurm.1953455.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
68.8 kB
state_CO2_dos
run_vasp.py
2.6 kB
state_COOH
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434 Bytes
KPOINTS
79 Bytes
OSZICAR
117.5 kB
OUTCAR
21.5 MB
err
4.2 kB
init.traj
1.5 kB
run_vasp.py
2.2 kB
slurm.1953456.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
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state_CO_dos
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2.6 kB
state_implicit_CO
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425 Bytes
KPOINTS
79 Bytes
OSZICAR
20.0 kB
OUTCAR
4.4 MB
d_center.txt
39 Bytes
err
218 Bytes
init.traj
1.4 kB
max_hilbert.txt
38 Bytes
occupancy.txt
39 Bytes
out.energy
14 Bytes
run_vasp.py
2.2 kB
slurm.1953454.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
27.3 kB
state_slab_dos
run_vasp.py
2.6 kB
dopant_1
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1.6 kB
submit_scriptVASP.sh
449 Bytes
state_COOH
run_vasp.py
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submit_scriptVASP.sh
449 Bytes
state_implicit_CO
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state_implicit_COOH
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state_implicit_slab
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1.9 kB
state_slab
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submit_scriptVASP.sh
449 Bytes
rpbe
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434 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
12.6 MB
d_center.txt
19 Bytes
err
218 Bytes
init.traj
1.5 kB
out.energy
14 Bytes
run_vasp.py
2.2 kB
slurm.1953458.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
101.0 kB
state_CO2_dos
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2.6 kB
state_COOH
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434 Bytes
KPOINTS
79 Bytes
OSZICAR
97.0 kB
OUTCAR
14.2 MB
d_center.txt
19 Bytes
err
218 Bytes
init.traj
1.5 kB
out.energy
14 Bytes
run_vasp.py
2.2 kB
slurm.1953459.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
119.5 kB
state_CO_dos
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state_implicit_CO
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425 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
4.1 MB
d_center.txt
40 Bytes
err
218 Bytes
init.traj
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max_hilbert.txt
40 Bytes
occupancy.txt
37 Bytes
out.energy
14 Bytes
run_vasp.py
2.2 kB
slurm.1953457.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
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state_slab_dos
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2.6 kB
dopant_3
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submit_scriptVASP.sh
449 Bytes
state_COOH
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submit_scriptVASP.sh
449 Bytes
state_implicit_CO
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state_implicit_COOH
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state_slab
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submit_scriptVASP.sh
449 Bytes
rpbe
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434 Bytes
KPOINTS
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OSZICAR
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OUTCAR
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d_center.txt
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err
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run_vasp.py
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slurm.1953461.out
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submit_scriptVASP.sh
537 Bytes
vasp.out
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state_CO2_dos
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state_COOH
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434 Bytes
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16.8 MB
d_center.txt
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err
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out.energy
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run_vasp.py
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slurm.1953462.out
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submit_scriptVASP.sh
537 Bytes
vasp.out
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state_CO_dos
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state_implicit_CO
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8.2 MB
d_center.txt
39 Bytes
err
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max_hilbert.txt
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occupancy.txt
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out.energy
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run_vasp.py
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slurm.1953460.out
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submit_scriptVASP.sh
537 Bytes
vasp.out
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state_slab_dos
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d_center.txt
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err
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out.energy
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run_vasp.py
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slurm.1956937.out
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submit_scriptVASP.sh
449 Bytes
vasp.out
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wf.out
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state_COOH
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KPOINTS
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OSZICAR
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d_center.txt
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err
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out.energy
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run_vasp.py
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slurm.1956938.out
0 Bytes
submit_scriptVASP.sh
449 Bytes
vasp.out
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wf.out
18 Bytes
state_slab
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468 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
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d_center.txt
39 Bytes
err
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max_hilbert.txt
40 Bytes
occupancy.txt
78 Bytes
out.energy
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run_vasp.py
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slurm.1956936.out
0 Bytes
submit_scriptVASP.sh
449 Bytes
vasp.out
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wf.out
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rpbe
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434 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
5.6 MB
d_center.txt
19 Bytes
err
218 Bytes
init.traj
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out.energy
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run_vasp.py
2.2 kB
slurm.1953446.out
0 Bytes
submit_scriptVASP.sh
537 Bytes
vasp.out
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state_CO2_dos
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state_COOH
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434 Bytes
KPOINTS
79 Bytes
OSZICAR
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OUTCAR
4.0 MB
d_center.txt
19 Bytes
err
218 Bytes
init.traj
1.5 kB
out.energy
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run_vasp.py
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slurm.1953447.out
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submit_scriptVASP.sh
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vasp.out
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state_CO_dos
run_vasp.py
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state_implicit_CO
0p0
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
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err
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out.energy
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run_vasp.py
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slurm.1974351.out
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submit_scriptVASP.sh
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vasp.out
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m0p25
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
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err
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out.energy
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run_vasp.py
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slurm.1974350.out
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submit_scriptVASP.sh
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vasp.out
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m0p5
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
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err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974349.out
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submit_scriptVASP.sh
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vasp.out
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m0p75
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
2.7 MB
err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974348.out
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submit_scriptVASP.sh
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vasp.out
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m1p0
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
3.9 MB
err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974347.out
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submit_scriptVASP.sh
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vasp.out
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m1p25
INCAR
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KPOINTS
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OSZICAR
43.7 kB
OUTCAR
3.9 MB
err
218 Bytes
out.energy
13 Bytes
run_vasp.py
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slurm.1974346.out
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submit_scriptVASP.sh
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vasp.out
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m1p5
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
4.7 MB
err
218 Bytes
out.energy
14 Bytes
run_vasp.py
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slurm.1974345.out
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submit_scriptVASP.sh
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vasp.out
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m1p75
INCAR
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KPOINTS
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OSZICAR
47.1 kB
OUTCAR
4.1 MB
err
218 Bytes
out.energy
14 Bytes
run_vasp.py
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slurm.1974344.out
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submit_scriptVASP.sh
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vasp.out
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m2p0
INCAR
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KPOINTS
79 Bytes
OSZICAR
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OUTCAR
4.8 MB
err
218 Bytes
out.energy
14 Bytes
run_vasp.py
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slurm.1974343.out
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submit_scriptVASP.sh
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vasp.out
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state_implicit_CO2
0p0
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
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err
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out.energy
14 Bytes
run_vasp.py
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slurm.1986637.out
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slurm.1986678.out
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submit_scriptVASP.sh
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vasp.out
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0p25
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
176.2 kB
err
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out.energy
14 Bytes
run_vasp.py
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slurm.1986679.out
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submit_scriptVASP.sh
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vasp.out
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0p5
INCAR
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KPOINTS
79 Bytes
OSZICAR
5.4 kB
OUTCAR
176.2 kB
err
815 Bytes
out.energy
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run_vasp.py
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slurm.1986639.out
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slurm.1986680.out
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submit_scriptVASP.sh
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vasp.out
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0p75
INCAR
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KPOINTS
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OSZICAR
4.8 kB
OUTCAR
167.9 kB
err
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out.energy
14 Bytes
run_vasp.py
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slurm.1986681.out
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submit_scriptVASP.sh
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vasp.out
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batch_submit_vasp.sh
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m1p0
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
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err
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out.energy
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run_vasp.py
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slurm.1986641.out
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slurm.1986682.out
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submit_scriptVASP.sh
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vasp.out
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m1p25
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KPOINTS
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OSZICAR
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OUTCAR
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err
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out.energy
14 Bytes
run_vasp.py
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slurm.1986642.out
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slurm.1986683.out
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submit_scriptVASP.sh
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vasp.out
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m1p5
INCAR
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KPOINTS
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OSZICAR
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OUTCAR
5.3 MB
err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974363.out
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submit_scriptVASP.sh
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vasp.out
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m1p75
INCAR
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KPOINTS
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OSZICAR
92.2 kB
OUTCAR
9.5 MB
err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974362.out
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submit_scriptVASP.sh
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vasp.out
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m2p0
INCAR
492 Bytes
KPOINTS
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OSZICAR
82.4 kB
OUTCAR
8.0 MB
err
218 Bytes
out.energy
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run_vasp.py
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slurm.1974361.out
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submit_scriptVASP.sh
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vasp.out
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run_vasp.py
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submit_scriptVASP.sh
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state_implicit_COOH
0p0
INCAR
471 Bytes
KPOINTS
79 Bytes
OSZICAR
21.1 kB
OUTCAR
1.7 MB
err
218 Bytes
out.energy
14 Bytes
run_vasp.py
1.8 kB
slurm.1974360.out
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submit_scriptVASP.sh
536 Bytes
vasp.out
32.8 kB
m0p25
INCAR
492 Bytes
KPOINTS
79 Bytes
OSZICAR
18.4 kB
OUTCAR
1.4 MB
err
218 Bytes
out.energy
14 Bytes
run_vasp.py
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slurm.1974359.out
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submit_scriptVASP.sh
536 Bytes
vasp.out
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m0p5
INCAR
492 Bytes
KPOINTS
79 Bytes
OSZICAR
17.2 kB
OUTCAR
1.2 MB
err
218 Bytes