Data_non_vdW_2D_hydrogenation_RODARE.zip
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Data_non_vdW_2D_hydrogenation_RODARE
ternaries
Co1Mn1O3_ICSD_31854_PBE_U_ICSD
001_facet_Co1Mn1O3_ICSD_31854_PBE_U_ICSD_relax_ions_cell_shape_Co_term
passivation_H_full
AECCAR0.bands.xz
16.6 MB
AECCAR0.static.xz
16.6 MB
AECCAR1.bands.xz
15.7 MB
AECCAR1.static.xz
15.7 MB
AECCAR2.bands.xz
8.0 MB
AECCAR2.static.xz
8.0 MB
BANDS_DOS
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9.4 MB
CHGCAR.static.xz
25.0 MB
CONTCAR.bands.xz
600 Bytes
CONTCAR.static.xz
600 Bytes
DOSCAR.bands.xz
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DOSCAR.static.xz
103.1 kB
EIGENVAL.bands.xz
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EIGENVAL.static.xz
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IBZKPT.static.xz
408 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
200 Bytes
INCAR.static.xz
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KPOINTS.bands.xz
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KPOINTS.static.xz
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LOCK
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LOCK.3.2.12
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OSZICAR.bands.xz
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OSZICAR.static.xz
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OUTCAR.bands.xz
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OUTCAR.static.xz
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PCDAT.bands.xz
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PCDAT.static.xz
172 Bytes
POSCAR.bands.xz
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POSCAR.orig.xz
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POSCAR.static.xz
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PROCAR.bands.xz
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PROCAR.static.xz
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REPORT.xz
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XDATCAR.bands.xz
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XDATCAR.static.xz
376 Bytes
aflow.agroup.out.xz
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aflow.end.out
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aflow.fgroup.out.xz
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aflow.iatoms.out.xz
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aflow.in
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aflow.pgroup.out.xz
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aflow.pgroup_xtal.out.xz
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aflow.pgroupk_Patterson.out.xz
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aflow.pgroupk_xtal.out.xz
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aflow.pseudopotential_auid.out.xz
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aflow.qmvasp.out.xz
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vasp.out.bands.xz
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vasp.out.static.xz
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vasprun.xml.bands.xz
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vasprun.xml.static.xz
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CHG.static.xz
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CHGCAR.static.xz
25.0 MB
CONTCAR.bands.xz
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CONTCAR.relax1.xz
620 Bytes
CONTCAR.relax2.xz
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CONTCAR.static.xz
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DOSCAR.bands.xz
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DOSCAR.relax1.xz
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DOSCAR.relax2.xz
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EIGENVAL.static.xz
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IBZKPT.relax1.xz
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IBZKPT.relax2.xz
180 Bytes
IBZKPT.static.xz
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INCAR.relax1.xz
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INCAR.relax2.xz
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INCAR.static.xz
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KPOINTS.relax1.xz
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KPOINTS.relax2.xz
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KPOINTS.static.xz
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OSZICAR.relax2.xz
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PCDAT.relax2.xz
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POSCAR.relax2.xz
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POSCAR.static.xz
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PROCAR.relax2.xz
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PROCAR.static.xz
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XDATCAR.relax2.xz
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vasp.out.relax1.xz
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vasp.out.relax2.xz
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vasprun.xml.relax2.xz
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vasprun.xml.static.xz
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README_Co1Mn1O3_ICSD_31854_PBE_U_ICSD
360 Bytes
Mn1Ni1O3_ICSD_31853_PBE_U_ICSD
001_facet_Mn1Ni1O3_ICSD_31853_PBE_U_ICSD_relax_ions_cell_shape_Ni_term
README_001_facet_Mn1Ni1O3_ICSD_31853_PBE_U_ICSD_relax_ions_cell_shape_Ni_term
598 Bytes
passivation_H_full
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AECCAR0.bands.xz
17.0 MB
AECCAR0.static.xz
17.0 MB
AECCAR1.bands.xz
15.8 MB
AECCAR1.static.xz
15.8 MB
AECCAR2.bands.xz
11.1 MB
AECCAR2.static.xz
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AVF.dat.xz
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BANDS_DOS
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CHGCAR.static.xz
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CONTCAR.bands.xz
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CONTCAR.static.xz
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DOSCAR.bands.xz
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DOSCAR.static.xz
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EIGENVAL.bands.xz
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INCAR.static.xz
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KPOINTS.bands.xz
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KPOINTS.static.xz
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LOCK.3.2.12
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OSZICAR.static.xz
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PCDAT.static.xz
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POSCAR.bands.xz
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POSCAR.static.xz
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PROCAR.bands.xz
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PROCAR.static.xz
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REPORT.xz
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XDATCAR.static.xz
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vasp.out.static.xz
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vasprun.xml.bands.xz
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vasprun.xml.static.xz
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BCF.dat.xz
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CHG.static.xz
11.0 MB
CHGCAR.static.xz
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CONTCAR.bands.xz
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CONTCAR.relax1.xz
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CONTCAR.relax2.xz
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CONTCAR.static.xz
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DOSCAR.relax2.xz
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IBZKPT.relax1.xz
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IBZKPT.relax2.xz
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IBZKPT.static.xz
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INCAR.relax2.xz
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KPOINTS.relax1.xz
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KPOINTS.relax2.xz
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KPOINTS.static.xz
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OSZICAR.relax2.xz
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PCDAT.relax1.xz
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PCDAT.relax2.xz
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PCDAT.static.xz
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INCAR.static.xz
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KPOINTS.static.xz
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PCDAT.static.xz
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PROCAR.static.xz
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aflow.end.out
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INCAR.static.xz
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KPOINTS.static.xz
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OUTCAR.static.xz
52.8 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
4.1 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
952 Bytes
aflow.agroup.out.xz
3.3 kB
aflow.end.out
226 Bytes
aflow.fgroup.out.xz
880 Bytes
aflow.iatoms.out.xz
2.6 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
780 Bytes
aflow.pgroupk_Patterson.out.xz
872 Bytes
aflow.pgroupk_xtal.out.xz
528 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.4 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
6.8 MB
ARUN.APL_11_A224D0P
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1.2 kB
DOSCAR.static.xz
190.8 kB
EIGENVAL.static.xz
32.4 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
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LOCK.3.2.12
130.0 kB
OSZICAR.static.xz
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OUTCAR.static.xz
47.9 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
3.1 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
952 Bytes
aflow.agroup.out.xz
4.1 kB
aflow.end.out
227 Bytes
aflow.fgroup.out.xz
1.4 kB
aflow.iatoms.out.xz
2.9 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
984 Bytes
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
676 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.1 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
5.2 MB
ARUN.APL_12_A224D0M
CONTCAR.static.xz
1.2 kB
DOSCAR.static.xz
189.6 kB
EIGENVAL.static.xz
32.4 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
129.9 kB
LOCK.3.2.12
129.9 kB
OSZICAR.static.xz
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OUTCAR.static.xz
48.5 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
3.1 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
952 Bytes
aflow.agroup.out.xz
4.1 kB
aflow.end.out
226 Bytes
aflow.fgroup.out.xz
1.4 kB
aflow.iatoms.out.xz
2.9 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
984 Bytes
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
676 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.1 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
5.2 MB
ARUN.APL_13_A256D0P
CONTCAR.static.xz
1.2 kB
DOSCAR.static.xz
231.7 kB
EIGENVAL.static.xz
43.4 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
190.3 kB
LOCK.3.2.12
190.3 kB
OSZICAR.static.xz
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OUTCAR.static.xz
54.3 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
4.2 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
948 Bytes
aflow.agroup.out.xz
3.3 kB
aflow.end.out
227 Bytes
aflow.fgroup.out.xz
880 Bytes
aflow.iatoms.out.xz
2.6 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
780 Bytes
aflow.pgroupk_Patterson.out.xz
872 Bytes
aflow.pgroupk_xtal.out.xz
528 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.3 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
7.1 MB
ARUN.APL_14_A256D0M
CONTCAR.static.xz
1.2 kB
DOSCAR.static.xz
231.1 kB
EIGENVAL.static.xz
43.6 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
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KPOINTS.static.xz
168 Bytes
LOCK
190.1 kB
LOCK.3.2.12
190.1 kB
OSZICAR.static.xz
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OUTCAR.static.xz
56.2 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
4.2 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
952 Bytes
aflow.agroup.out.xz
3.3 kB
aflow.end.out
226 Bytes
aflow.fgroup.out.xz
880 Bytes
aflow.iatoms.out.xz
2.6 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
780 Bytes
aflow.pgroupk_Patterson.out.xz
872 Bytes
aflow.pgroupk_xtal.out.xz
528 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.3 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
7.1 MB
ARUN.APL_15_A256D1P
CONTCAR.static.xz
1.2 kB
DOSCAR.static.xz
203.9 kB
EIGENVAL.static.xz
31.8 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
130.0 kB
LOCK.3.2.12
130.0 kB
OSZICAR.static.xz
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OUTCAR.static.xz
47.8 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
3.1 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
956 Bytes
aflow.agroup.out.xz
4.3 kB
aflow.end.out
227 Bytes
aflow.fgroup.out.xz
1.5 kB
aflow.iatoms.out.xz
3.1 kB
aflow.in
36.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
984 Bytes
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
672 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.1 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
5.3 MB
ARUN.APL_16_A256D1M
CONTCAR.static.xz
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DOSCAR.static.xz
206.4 kB
EIGENVAL.static.xz
31.8 kB
IBZKPT.static.xz
140 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
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LOCK.3.2.12
129.9 kB
OSZICAR.static.xz
1.1 kB
OUTCAR.static.xz
47.4 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
3.1 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
952 Bytes
aflow.agroup.out.xz
4.3 kB
aflow.end.out
226 Bytes
aflow.fgroup.out.xz
1.5 kB
aflow.iatoms.out.xz
3.1 kB
aflow.in
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aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
984 Bytes
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
672 Bytes
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
6.2 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
5.3 MB
ARUN.APL_17_ZEROSTATE
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1.2 kB
DOSCAR.static.xz
10.3 kB
EIGENVAL.static.xz
17.4 kB
IBZKPT.static.xz
136 Bytes
INCAR.orig.xz
208 Bytes
INCAR.static.xz
1.4 kB
KPOINTS.static.xz
168 Bytes
LOCK
343.2 kB
LOCK.3.2.12
343.2 kB
OSZICAR.static.xz
888 Bytes
OUTCAR.static.xz
32.9 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
1.3 kB
PROCAR.static.xz
1.2 MB
REPORT.xz
32 Bytes
XDATCAR.static.xz
944 Bytes
aflow.agroup.out.xz
17.1 kB
aflow.end.out
246 Bytes
aflow.error.edddav.xz
1.6 kB
aflow.error.nelm.xz
4.0 kB
aflow.error.out.xz
320 Bytes
aflow.fgroup.out.xz
18.7 kB
aflow.iatoms.out.xz
2.2 kB
aflow.in
36.3 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
1.5 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.1 kB
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
3.3 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.static.xz
1.8 MB
CHG.relax_apl1.xz
16.0 MB
CHG.relax_apl2.xz
16.0 MB
CHGCAR.relax_apl1.xz
33.5 MB
CHGCAR.relax_apl2.xz
33.5 MB
CONTCAR.relax_apl1.xz
612 Bytes
CONTCAR.relax_apl2.xz
612 Bytes
DOSCAR.relax_apl1.xz
9.8 kB
DOSCAR.relax_apl2.xz
10.0 kB
EIGENVAL.relax_apl1.xz
9.6 kB
EIGENVAL.relax_apl2.xz
9.7 kB
IBZKPT.relax_apl1.xz
184 Bytes
IBZKPT.relax_apl2.xz
184 Bytes
INCAR.orig_apl.xz
204 Bytes
INCAR.relax_apl1.xz
1.3 kB
INCAR.relax_apl2.xz
1.3 kB
KPOINTS.relax_apl1.xz
156 Bytes
KPOINTS.relax_apl2.xz
156 Bytes
LOCK
101.0 kB
LOCK.3.2.12
163.5 kB
LOCK.3.2.13
101.0 kB
LOCK_pre
163.5 kB
OSZICAR.relax_apl1.xz
1.1 kB
OSZICAR.relax_apl2.xz
1.1 kB
OUTCAR.relax_apl1.xz
21.7 kB
OUTCAR.relax_apl2.xz
21.6 kB
PCDAT.relax_apl1.xz
172 Bytes
PCDAT.relax_apl2.xz
172 Bytes
PHDOSCAR.xz
15.7 kB
PHEIGENVAL.xz
46.0 kB
PHKPOINTS.xz
200 Bytes
PHPOSCAR.xz
652 Bytes
POSCAR.orig_apl.xz
572 Bytes
POSCAR.relax_apl1.xz
652 Bytes
POSCAR.relax_apl2.xz
612 Bytes
PROCAR.relax_apl1.xz
180.5 kB
PROCAR.relax_apl2.xz
180.4 kB
REPORT.xz
32 Bytes
XDATCAR.relax_apl1.xz
380 Bytes
XDATCAR.relax_apl2.xz
380 Bytes
aflow.agroup.out.xz
1.7 kB
aflow.apl.DYNMAT.out.xz
23.5 kB
aflow.apl.displacements.out.xz
26.1 kB
aflow.apl.fccalc_state.out.xz
964 Bytes
aflow.apl.group_velocities.out.xz
1.5 MB
aflow.apl.harmonicIFCs.xml.xz
499.8 kB
aflow.apl.hskpoints.out.xz
6.1 kB
aflow.apl.out.xz
8.9 kB
aflow.apl.phonon_dispersion.out.xz
67.9 kB
aflow.apl.phonon_dos.out.xz
25.7 kB
aflow.apl.thermodynamic_properties.json.xz
8.3 kB
aflow.apl.thermodynamic_properties.out.xz
8.8 kB
aflow.end.out
326 Bytes
aflow.fgroup.out.xz
1.5 kB
aflow.iatoms.out.xz
808 Bytes
aflow.in
47.6 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
1.2 kB
aflow.pgroupk.out.xz
1.5 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.1 kB
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
1.3 kB
aflow.sgroup.out.xz
4.2 kB
vasp.out.relax_apl1.xz
2.0 kB
vasp.out.relax_apl2.xz
2.0 kB
vasprun.xml.relax_apl1.xz
196.1 kB
vasprun.xml.relax_apl2.xz
196.1 kB
POSCAR.bands.xz
616 Bytes
POSCAR.relax1.xz
584 Bytes
POSCAR.relax2.xz
624 Bytes
POSCAR.static.xz
628 Bytes
PROCAR.bands.xz
1.8 MB
PROCAR.relax1.xz
272.1 kB
PROCAR.relax2.xz
271.9 kB
PROCAR.static.xz
278.7 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
380 Bytes
XDATCAR.relax1.xz
656 Bytes
XDATCAR.relax2.xz
656 Bytes
XDATCAR.static.xz
380 Bytes
aflow.CHGCAR_sum.xz
15.8 MB
aflow.agroup.out.xz
1.8 kB
aflow.end.out
339 Bytes
aflow.fgroup.out.xz
1.5 kB
aflow.iatoms.out.xz
736 Bytes
aflow.in
38.4 kB
aflow.pgroup.out.xz
1.6 kB
aflow.pgroup_xtal.out.xz
1.2 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.2 kB
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
2.0 kB
density_diff
only_H
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6.7 MB
CHGCAR.static.xz
23.3 MB
CONTCAR.static.xz
436 Bytes
DOSCAR.static.xz
7.1 kB
EIGENVAL.static.xz
9.0 kB
IBZKPT.static.xz
184 Bytes
INCAR.orig.xz
184 Bytes
INCAR.static.xz
1.0 kB
KPOINTS.static.xz
92 Bytes
LOCK
41.5 kB
LOCK.3.2.12
41.5 kB
OSZICAR.static.xz
948 Bytes
OUTCAR.static.xz
19.5 kB
PCDAT.static.xz
164 Bytes
POSCAR.only_H.xz
476 Bytes
POSCAR.static.xz
476 Bytes
PROCAR.static.xz
44.0 kB
REPORT.xz
32 Bytes
XDATCAR.static.xz
276 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
212 Bytes
aflow.fgroup.out.xz
1.4 kB
aflow.iatoms.out.xz
568 Bytes
aflow.in
19.3 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
1.1 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.1 kB
aflow.pseudopotential_auid.out.xz
120 Bytes
aflow.qmvasp.out.xz
1.0 kB
vasp.out.static.xz
1.5 kB
vasprun.xml.static.xz
54.6 kB
only_slab
ACF.dat.xz
396 Bytes
AECCAR0.static.xz
17.0 MB
AECCAR1.static.xz
16.0 MB
AECCAR2.static.xz
8.2 MB
AVF.dat.xz
148 Bytes
BCF.dat.xz
268 Bytes
CHG.static.xz
12.2 MB
CHGCAR.static.xz
28.7 MB
CONTCAR.static.xz
384 Bytes
DOSCAR.static.xz
7.3 kB
EIGENVAL.static.xz
10.6 kB
IBZKPT.static.xz
184 Bytes
INCAR.orig.xz
220 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
168 Bytes
LOCK
53.8 kB
LOCK.3.2.12
53.8 kB
MnNiO_abader.out.xz
220 Bytes
OSZICAR.static.xz
948 Bytes
OUTCAR.static.xz
21.7 kB
PCDAT.static.xz
172 Bytes
POSCAR.static.xz
444 Bytes
PROCAR.static.xz
95.6 kB
REPORT.xz
32 Bytes
XDATCAR.static.xz
260 Bytes
aflow.CHGCAR_sum.xz
15.3 MB
aflow.agroup.out.xz
1.4 kB
aflow.end.out
224 Bytes
aflow.error.nelm.xz
3.7 kB
aflow.error.out.xz
272 Bytes
aflow.fgroup.out.xz
1.3 kB
aflow.iatoms.out.xz
532 Bytes
aflow.in
19.9 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
1.1 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.1 kB
aflow.pseudopotential_auid.out.xz
168 Bytes
aflow.qmvasp.out.xz
800 Bytes
vasp.out.static.xz
1.7 kB
vasprun.xml.static.xz
92.3 kB
vasp.out.bands.xz
1.4 kB
vasp.out.relax1.xz
2.2 kB
vasp.out.relax2.xz
2.2 kB
vasp.out.static.xz
1.9 kB
vasprun.xml.bands.xz
2.2 MB
vasprun.xml.relax1.xz
277.4 kB
vasprun.xml.relax2.xz
277.8 kB
vasprun.xml.static.xz
376.5 kB
passivation_H_single
AECCAR0.bands.xz
22.0 MB
AECCAR0.static.xz
22.0 MB
AECCAR1.bands.xz
20.5 MB
AECCAR1.static.xz
20.5 MB
AECCAR2.bands.xz
16.5 MB
AECCAR2.static.xz
16.3 MB
CHG.static.xz
12.6 MB
CHGCAR.static.xz
35.5 MB
CONTCAR.bands.xz
544 Bytes
CONTCAR.relax1.xz
548 Bytes
CONTCAR.relax2.xz
548 Bytes
CONTCAR.static.xz
544 Bytes
DOSCAR.bands.xz
8.7 kB
DOSCAR.relax1.xz
10.4 kB
DOSCAR.relax2.xz
10.3 kB
DOSCAR.static.xz
97.3 kB
EIGENVAL.bands.xz
126.8 kB
EIGENVAL.relax1.xz
14.0 kB
EIGENVAL.relax2.xz
13.9 kB
EIGENVAL.static.xz
13.7 kB
IBZKPT.relax1.xz
184 Bytes
IBZKPT.relax2.xz
184 Bytes
IBZKPT.static.xz
404 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
196 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
220 Bytes
KPOINTS.relax1.xz
92 Bytes
KPOINTS.relax2.xz
92 Bytes
KPOINTS.static.xz
92 Bytes
LOCK
84.3 kB
LOCK.3.2.12
84.3 kB
OSZICAR.bands.xz
372 Bytes
OSZICAR.relax1.xz
4.0 kB
OSZICAR.relax2.xz
1.3 kB
OSZICAR.static.xz
1.1 kB
OUTCAR.bands.xz
83.8 kB
OUTCAR.relax1.xz
172.5 kB
OUTCAR.relax2.xz
39.9 kB
OUTCAR.static.xz
26.4 kB
PCDAT.bands.xz
168 Bytes
PCDAT.relax1.xz
168 Bytes
PCDAT.relax2.xz
168 Bytes
PCDAT.static.xz
168 Bytes
POSCAR.bands.xz
544 Bytes
POSCAR.orig.xz
520 Bytes
POSCAR.relax1.xz
584 Bytes
POSCAR.relax2.xz
548 Bytes
POSCAR.static.xz
548 Bytes
PROCAR.bands.xz
1.2 MB
PROCAR.relax1.xz
171.4 kB
PROCAR.relax2.xz
171.9 kB
PROCAR.static.xz
171.6 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
336 Bytes
XDATCAR.relax1.xz
2.1 kB
XDATCAR.relax2.xz
536 Bytes
XDATCAR.static.xz
336 Bytes
aflow.agroup.out.xz
1.8 kB
aflow.end.out
330 Bytes
aflow.fgroup.out.xz
1.4 kB
aflow.iatoms.out.xz
720 Bytes
aflow.in
32.0 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
1.2 kB
aflow.pgroupk_Patterson.out.xz
1.1 kB
aflow.pgroupk_xtal.out.xz
1.1 kB
aflow.pseudopotential_auid.out.xz
184 Bytes
aflow.qmvasp.out.xz
1.7 kB
vasp.out.bands.xz
1.4 kB
vasp.out.relax1.xz
5.6 kB
vasp.out.relax2.xz
2.4 kB
vasp.out.static.xz
2.3 kB
vasprun.xml.bands.xz
1.4 MB
vasprun.xml.relax1.xz
189.3 kB
vasprun.xml.relax2.xz
182.6 kB
vasprun.xml.static.xz
260.4 kB
README_Mn1Ni1O3_ICSD_31853_PBE_U_ICSD
360 Bytes