Data_non_vdW_heterostructures_RODARE.zip
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Data_non_vdW_heterostructures_RODARE
Diamagnetic_diamagnetic
AgSbO3_NaSbO3
AgSbO3_NaSbO3_20_0_1.9209_PBE_U_ICSD_D3
AECCAR0.bands.xz
41.7 MB
AECCAR0.static.xz
41.7 MB
AECCAR1.bands.xz
39.3 MB
AECCAR1.static.xz
39.3 MB
AECCAR2.bands.xz
30.1 MB
BANDS_DOS
AECCAR0.bands.xz
41.7 MB
AECCAR0.static.xz
41.7 MB
AECCAR1.bands.xz
39.3 MB
AECCAR1.static.xz
39.3 MB
AECCAR2.bands.xz
30.1 MB
AECCAR2.static.xz
30.0 MB
CHG.static.xz
28.0 MB
CHGCAR.static.xz
70.5 MB
CONTCAR.bands.xz
616 Bytes
CONTCAR.static.xz
616 Bytes
DOSCAR.bands.xz
18.6 kB
DOSCAR.static.xz
216.4 kB
EIGENVAL.bands.xz
110.2 kB
EIGENVAL.static.xz
20.4 kB
IBZKPT.static.xz
660 Bytes
INCAR.bands.xz
1.9 kB
INCAR.orig.xz
188 Bytes
INCAR.static.xz
1.8 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
82.9 kB
LOCK.3.2.14+2D_KPPRA
82.9 kB
OSZICAR.bands.xz
372 Bytes
OSZICAR.static.xz
968 Bytes
OUTCAR.bands.xz
72.0 kB
OUTCAR.static.xz
30.5 kB
PCDAT.bands.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.bands.xz
616 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.static.xz
636 Bytes
PROCAR.bands.xz
1.3 MB
PROCAR.static.xz
290.4 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
408 Bytes
XDATCAR.static.xz
408 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
252 Bytes
aflow.fgroup.out.xz
840 Bytes
aflow.iatoms.out.xz
820 Bytes
aflow.in
33.0 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.8 kB
vasp.out.bands.xz
1.3 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.bands.xz
1.7 MB
vasprun.xml.static.xz
484.3 kB
CHG.static.xz
28.0 MB
CHGCAR.static.xz
70.5 MB
CONTCAR.bands.xz
616 Bytes
CONTCAR.relax1.xz
636 Bytes
DOSCAR.bands.xz
18.6 kB
DOSCAR.relax2.xz
20.5 kB
DOSCAR.relax3.xz
20.4 kB
DOSCAR.static.xz
216.4 kB
EIGENVAL.bands.xz
110.2 kB
EIGENVAL.relax1.xz
3.7 kB
EIGENVAL.relax2.xz
4.6 kB
EIGENVAL.relax3.xz
4.5 kB
EIGENVAL.static.xz
20.4 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
IBZKPT.static.xz
660 Bytes
INCAR.orig.xz
188 Bytes
KPOINTS.bands.xz
232 Bytes
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
LOCK.3.2.14+2D_KPPRA
82.9 kB
OSZICAR.relax3.xz
1.1 kB
OSZICAR.static.xz
968 Bytes
OUTCAR.bands.xz
72.0 kB
OUTCAR.relax1.xz
202.7 kB
OUTCAR.relax3.xz
28.6 kB
OUTCAR.static.xz
30.5 kB
PCDAT.bands.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.bands.xz
616 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.relax2.xz
636 Bytes
POSCAR.static.xz
636 Bytes
PROCAR.relax1.xz
48.3 kB
PROCAR.relax3.xz
54.2 kB
PROCAR.static.xz
290.4 kB
XDATCAR.bands.xz
408 Bytes
XDATCAR.relax1.xz
6.4 kB
XDATCAR.relax2.xz
680 Bytes
XDATCAR.relax3.xz
652 Bytes
aflow.end.out
252 Bytes
aflow.iatoms.out.xz
820 Bytes
aflow.pgroup.out.xz
1.5 kB
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.8 kB
vasp.out.relax1.xz
8.8 kB
vasp.out.relax2.xz
2.2 kB
vasp.out.relax3.xz
2.1 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.bands.xz
1.7 MB
vasprun.xml.relax2.xz
76.6 kB
vasprun.xml.static.xz
484.3 kB
CaSnO3_In2O3
CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD
BANDS_DOS
AECCAR0.bands.xz
25.2 MB
AECCAR0.static.xz
25.2 MB
AECCAR1.bands.xz
23.7 MB
AECCAR1.static.xz
23.7 MB
AECCAR2.bands.xz
17.4 MB
AECCAR2.static.xz
17.4 MB
CHG.static.xz
17.5 MB
CHGCAR.static.xz
43.1 MB
CONTCAR.bands.xz
608 Bytes
CONTCAR.static.xz
608 Bytes
DOSCAR.bands.xz
23.8 kB
DOSCAR.static.xz
238.2 kB
EIGENVAL.bands.xz
136.0 kB
EIGENVAL.static.xz
24.5 kB
IBZKPT.static.xz
676 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
188 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
69.4 kB
LOCK.3.2.14+2D_KPPRA
69.4 kB
OSZICAR.bands.xz
396 Bytes
OSZICAR.static.xz
960 Bytes
OUTCAR.bands.xz
83.2 kB
OUTCAR.static.xz
33.2 kB
PCDAT.bands.xz
180 Bytes
PCDAT.static.xz
180 Bytes
POSCAR.bands.xz
608 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.static.xz
660 Bytes
PROCAR.bands.xz
1.7 MB
PROCAR.static.xz
385.3 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
408 Bytes
XDATCAR.static.xz
408 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
265 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
808 Bytes
aflow.in
26.5 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
1.2 kB
vasp.out.bands.xz
1.3 kB
vasp.out.static.xz
1.8 kB
vasprun.xml.bands.xz
2.2 MB
vasprun.xml.static.xz
631.6 kB
CHG.relax1.xz
116.8 MB
CHG.relax2.xz
37.1 MB
CHG.relax3.xz
16.6 MB
CHGCAR.relax1.xz
46.3 MB
CHGCAR.relax2.xz
47.8 MB
CHGCAR.relax3.xz
43.1 MB
CONTCAR.relax1.xz
628 Bytes
CONTCAR.relax2.xz
628 Bytes
CONTCAR.relax3.xz
624 Bytes
DOSCAR.relax1.xz
22.2 kB
DOSCAR.relax2.xz
23.8 kB
DOSCAR.relax3.xz
28.3 kB
EIGENVAL.relax1.xz
4.6 kB
EIGENVAL.relax2.xz
5.2 kB
EIGENVAL.relax3.xz
5.5 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
188 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
61.4 kB
LOCK.3.2.14+2D_KPPRA
61.4 kB
OSZICAR.relax1.xz
15.5 kB
OSZICAR.relax2.xz
2.5 kB
OSZICAR.relax3.xz
1.1 kB
OUTCAR.relax1.xz
359.7 kB
OUTCAR.relax2.xz
86.7 kB
OUTCAR.relax3.xz
30.4 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
180 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
656 Bytes
POSCAR.relax1.xz
688 Bytes
POSCAR.relax2.xz
628 Bytes
POSCAR.relax3.xz
628 Bytes
PROCAR.relax1.xz
60.7 kB
PROCAR.relax2.xz
62.3 kB
PROCAR.relax3.xz
82.6 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
7.4 kB
XDATCAR.relax2.xz
2.2 kB
XDATCAR.relax3.xz
664 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
244 Bytes
aflow.fgroup.out.xz
848 Bytes
aflow.iatoms.out.xz
836 Bytes
aflow.in
26.4 kB
aflow.pgroup.out.xz
1.6 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.7 kB
vasp.out.relax1.xz
17.9 kB
vasp.out.relax2.xz
3.9 kB
vasp.out.relax3.xz
2.0 kB
vasprun.xml.relax1.xz
128.9 kB
vasprun.xml.relax2.xz
90.1 kB
vasprun.xml.relax3.xz
114.4 kB
CaSnO3_In2O3_20_60_0.0747_PBE_U_ICSD_D3
CHG.relax1.xz
28.4 MB
CHG.relax2.xz
8.8 MB
CHG.relax3.xz
8.7 MB
CHGCAR.relax1.xz
22.7 MB
CHGCAR.relax2.xz
21.0 MB
CHGCAR.relax3.xz
21.7 MB
CONTCAR.relax1.xz
620 Bytes
CONTCAR.relax2.xz
620 Bytes
CONTCAR.relax3.xz
628 Bytes
DOS
AECCAR0.static.xz
25.2 MB
AECCAR1.static.xz
23.6 MB
AECCAR2.static.xz
17.4 MB
CHG.static.xz
8.7 MB
CHGCAR.static.xz
20.9 MB
CONTCAR.static.xz
612 Bytes
DOSCAR.static.xz
17.7 kB
EIGENVAL.static.xz
13.8 kB
IBZKPT.static.xz
256 Bytes
INCAR.orig.xz
188 Bytes
INCAR.static.xz
1.3 kB
KPOINTS.static.xz
180 Bytes
LOCK
54.5 kB
LOCK.3.2.14+2D_KPPRA
54.5 kB
OSZICAR.static.xz
824 Bytes
OUTCAR.static.xz
25.6 kB
PCDAT.static.xz
184 Bytes
POSCAR.orig.xz
584 Bytes
POSCAR.static.xz
648 Bytes
PROCAR.static.xz
251.9 kB
REPORT.xz
32 Bytes
XDATCAR.static.xz
404 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
250 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
808 Bytes
aflow.in
39.6 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
1.2 kB
vasp.out.static.xz
1.6 kB
vasprun.xml.static.xz
290.2 kB
DOSCAR.relax1.xz
17.7 kB
DOSCAR.relax2.xz
18.7 kB
DOSCAR.relax3.xz
18.6 kB
EIGENVAL.relax1.xz
3.4 kB
EIGENVAL.relax2.xz
3.4 kB
EIGENVAL.relax3.xz
3.4 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
188 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
61.2 kB
LOCK.3.2.14+2D_KPPRA
61.2 kB
OSZICAR.relax1.xz
3.8 kB
OSZICAR.relax2.xz
916 Bytes
OSZICAR.relax3.xz
900 Bytes
OUTCAR.relax1.xz
97.9 kB
OUTCAR.relax2.xz
25.0 kB
OUTCAR.relax3.xz
24.5 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.relax1.xz
652 Bytes
POSCAR.relax2.xz
620 Bytes
POSCAR.relax3.xz
620 Bytes
PROCAR.relax1.xz
51.5 kB
PROCAR.relax2.xz
51.6 kB
PROCAR.relax3.xz
51.8 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
2.9 kB
XDATCAR.relax2.xz
640 Bytes
XDATCAR.relax3.xz
640 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
246 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
816 Bytes
aflow.in
39.5 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.3 kB
vasp.out.relax1.xz
5.2 kB
vasp.out.relax2.xz
1.9 kB
vasp.out.relax3.xz
1.8 kB
vasprun.xml.relax1.xz
83.0 kB
vasprun.xml.relax2.xz
71.4 kB
vasprun.xml.relax3.xz
71.7 kB
CaSnO3_In2O3_20_60_0.0747_SCAN_rVV10
AECCAR0.static.xz
25.3 MB
AECCAR1.static.xz
23.7 MB
AECCAR2.static.xz
17.6 MB
CHG.relax1.xz
9.0 MB
CHG.relax2.xz
9.5 MB
CHG.static.xz
9.2 MB
CHGCAR.relax1.xz
21.9 MB
CHGCAR.relax2.xz
22.6 MB
CHGCAR.static.xz
21.6 MB
CONTCAR.relax1.xz
628 Bytes
CONTCAR.relax2.xz
624 Bytes
CONTCAR.static.xz
620 Bytes
DOS
AECCAR0.static.xz
25.3 MB
AECCAR1.static.xz
23.7 MB
AECCAR2.static.xz
17.6 MB
CHG.static.xz
9.2 MB
CHGCAR.static.xz
21.6 MB
CONTCAR.static.xz
620 Bytes
DOSCAR.static.xz
135.1 kB
EIGENVAL.static.xz
14.4 kB
IBZKPT.static.xz
672 Bytes
INCAR.orig.xz
216 Bytes
INCAR.static.xz
1.5 kB
KPOINTS.static.xz
180 Bytes
LOCK
67.3 kB
LOCK.3.2.14+2D_KPPRA
67.3 kB
OSZICAR.static.xz
876 Bytes
OUTCAR.static.xz
26.9 kB
PCDAT.static.xz
184 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.static.xz
624 Bytes
PROCAR.static.xz
257.2 kB
REPORT.xz
32 Bytes
XDATCAR.static.xz
412 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
238 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
812 Bytes
aflow.in
43.9 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.0 kB
vasp.out.static.xz
2.1 kB
vasprun.xml.static.xz
402.5 kB
DOSCAR.relax1.xz
18.7 kB
DOSCAR.relax2.xz
19.0 kB
DOSCAR.static.xz
135.1 kB
EIGENVAL.relax1.xz
3.8 kB
EIGENVAL.relax2.xz
3.6 kB
EIGENVAL.static.xz
14.4 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.static.xz
672 Bytes
INCAR.orig.xz
216 Bytes
INCAR.relax1.xz
964 Bytes
INCAR.relax2.xz
964 Bytes
INCAR.static.xz
1.5 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
67.3 kB
LOCK.3.2.14+2D_KPPRA
67.3 kB
OSZICAR.relax1.xz
1.1 kB
OSZICAR.relax2.xz
1.1 kB
OSZICAR.static.xz
876 Bytes
OUTCAR.relax1.xz
26.4 kB
OUTCAR.relax2.xz
27.1 kB
OUTCAR.static.xz
26.9 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.orig.xz
592 Bytes
POSCAR.relax1.xz
652 Bytes
POSCAR.relax2.xz
628 Bytes
POSCAR.static.xz
624 Bytes
PROCAR.relax1.xz
53.0 kB
PROCAR.relax2.xz
53.2 kB
PROCAR.static.xz
257.2 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
648 Bytes
XDATCAR.relax2.xz
668 Bytes
XDATCAR.static.xz
412 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
238 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
812 Bytes
aflow.in
43.9 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.0 kB
vasp.out.relax1.xz
2.5 kB
vasp.out.relax2.xz
2.5 kB
vasp.out.static.xz
2.1 kB
vasprun.xml.relax1.xz
73.7 kB
vasprun.xml.relax2.xz
73.9 kB
vasprun.xml.static.xz
402.5 kB
Ga2O3_Rh2O3
Ga2O3_Rh2O3_20_60_0.9330_PBE_U_ICSD
BANDS_DOS
AECCAR0.bands.xz
17.7 MB
AECCAR0.static.xz
17.7 MB
AECCAR1.bands.xz
16.6 MB
AECCAR1.static.xz
16.6 MB
AECCAR2.bands.xz
11.8 MB
AECCAR2.static.xz
11.8 MB
CHG.static.xz
11.7 MB
CHGCAR.static.xz
29.2 MB
CONTCAR.bands.xz
612 Bytes
CONTCAR.static.xz
612 Bytes
DOSCAR.bands.xz
21.1 kB
DOSCAR.static.xz
241.6 kB
EIGENVAL.bands.xz
132.3 kB
EIGENVAL.static.xz
23.8 kB
IBZKPT.static.xz
676 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
184 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
68.8 kB
LOCK.3.2.14+2D_KPPRA
68.8 kB
OSZICAR.bands.xz
376 Bytes
OSZICAR.static.xz
1.2 kB
OUTCAR.bands.xz
75.9 kB
OUTCAR.static.xz
34.1 kB
PCDAT.bands.xz
180 Bytes
PCDAT.static.xz
180 Bytes
POSCAR.bands.xz
612 Bytes
POSCAR.orig.xz
572 Bytes
POSCAR.static.xz
656 Bytes
PROCAR.bands.xz
1.4 MB
PROCAR.static.xz
346.7 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
404 Bytes
XDATCAR.static.xz
404 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
263 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
804 Bytes
aflow.in
26.4 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
176 Bytes
aflow.qmvasp.out.xz
1.2 kB
vasp.out.bands.xz
1.2 kB
vasp.out.static.xz
2.0 kB
vasprun.xml.bands.xz
1.9 MB
vasprun.xml.static.xz
583.4 kB
CHG.relax1.xz
78.7 MB
CHG.relax2.xz
24.3 MB
CHG.relax3.xz
11.1 MB
CHGCAR.relax1.xz
32.3 MB
CHGCAR.relax2.xz
31.2 MB
CHGCAR.relax3.xz
30.2 MB
CONTCAR.relax1.xz
624 Bytes
CONTCAR.relax2.xz
620 Bytes
CONTCAR.relax3.xz
620 Bytes
DOSCAR.relax1.xz
19.2 kB
DOSCAR.relax2.xz
20.4 kB
DOSCAR.relax3.xz
23.6 kB
EIGENVAL.relax1.xz
4.7 kB
EIGENVAL.relax2.xz
5.0 kB
EIGENVAL.relax3.xz
5.3 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
164 Bytes
INCAR.orig.xz
184 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
60.7 kB
LOCK.3.2.14+2D_KPPRA
60.7 kB
OSZICAR.relax1.xz
18.8 kB
OSZICAR.relax2.xz
2.2 kB
OSZICAR.relax3.xz
1.2 kB
OUTCAR.relax1.xz
420.6 kB
OUTCAR.relax2.xz
72.1 kB
OUTCAR.relax3.xz
30.1 kB
PCDAT.relax1.xz
180 Bytes
PCDAT.relax2.xz
180 Bytes
PCDAT.relax3.xz
180 Bytes
POSCAR.orig.xz
632 Bytes
POSCAR.relax1.xz
676 Bytes
POSCAR.relax2.xz
624 Bytes
POSCAR.relax3.xz
620 Bytes
PROCAR.relax1.xz
59.5 kB
PROCAR.relax2.xz
60.2 kB
PROCAR.relax3.xz
70.8 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
7.6 kB
XDATCAR.relax2.xz
2.1 kB
XDATCAR.relax3.xz
672 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
242 Bytes
aflow.fgroup.out.xz
848 Bytes
aflow.iatoms.out.xz
828 Bytes
aflow.in
26.3 kB
aflow.pgroup.out.xz
1.6 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
176 Bytes
aflow.qmvasp.out.xz
2.6 kB
density_diff
Ga2O3
AECCAR0.bands.xz
18.0 MB
AECCAR0.static.xz
18.0 MB
AECCAR1.bands.xz
16.6 MB
AECCAR1.static.xz
16.6 MB
AECCAR2.bands.xz
12.5 MB
AECCAR2.static.xz
12.4 MB
CHG.static.xz
11.5 MB
CHGCAR.static.xz
29.1 MB
CONTCAR.bands.xz
428 Bytes
CONTCAR.static.xz
428 Bytes
DOSCAR.bands.xz
16.6 kB
DOSCAR.static.xz
99.0 kB
EIGENVAL.bands.xz
67.9 kB
EIGENVAL.static.xz
21.2 kB
IBZKPT.static.xz
992 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
184 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
61.0 kB
LOCK.3.2.14+2D_KPPRA
61.0 kB
OSZICAR.bands.xz
396 Bytes
OSZICAR.static.xz
1.1 kB
OUTCAR.bands.xz
48.2 kB
OUTCAR.static.xz
30.1 kB
PCDAT.bands.xz
180 Bytes
PCDAT.static.xz
180 Bytes
POSCAR.bands.xz
428 Bytes
POSCAR.orig.xz
408 Bytes
POSCAR.static.xz
480 Bytes
PROCAR.bands.xz
532.0 kB
PROCAR.static.xz
204.7 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
292 Bytes
XDATCAR.static.xz
292 Bytes
aflow.agroup.out.xz
924 Bytes
aflow.end.out
236 Bytes
aflow.fgroup.out.xz
804 Bytes
aflow.iatoms.out.xz
580 Bytes
aflow.in
19.4 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
748 Bytes
aflow.pgroupk_Patterson.out.xz
840 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
148 Bytes
aflow.qmvasp.out.xz
916 Bytes
vasp.out.bands.xz
1.0 kB
vasp.out.static.xz
1.6 kB
vasprun.xml.bands.xz
600.3 kB
vasprun.xml.static.xz
307.3 kB
Rh2O3
AECCAR0.bands.xz
17.9 MB
AECCAR0.static.xz
17.9 MB
AECCAR1.bands.xz
17.0 MB
AECCAR1.static.xz
17.0 MB
AECCAR2.bands.xz
12.4 MB
AECCAR2.static.xz
12.3 MB
CHG.static.xz
11.7 MB
CHGCAR.static.xz
29.5 MB
CONTCAR.bands.xz
428 Bytes
CONTCAR.static.xz
428 Bytes
DOSCAR.bands.xz
12.0 kB
DOSCAR.static.xz
105.3 kB
EIGENVAL.bands.xz
68.1 kB
EIGENVAL.static.xz
23.9 kB
IBZKPT.static.xz
992 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
192 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
61.2 kB
LOCK.3.2.14+2D_KPPRA
61.2 kB
OSZICAR.bands.xz
376 Bytes
OSZICAR.static.xz
1.2 kB
OUTCAR.bands.xz
51.0 kB
OUTCAR.static.xz
35.2 kB
PCDAT.bands.xz
180 Bytes
PCDAT.static.xz
180 Bytes
POSCAR.bands.xz
428 Bytes
POSCAR.orig.xz
412 Bytes
POSCAR.static.xz
480 Bytes
PROCAR.bands.xz
604.4 kB
PROCAR.static.xz
291.2 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
296 Bytes
XDATCAR.static.xz
296 Bytes
aflow.agroup.out.xz
928 Bytes
aflow.end.out
237 Bytes
aflow.fgroup.out.xz
804 Bytes
aflow.iatoms.out.xz
580 Bytes
aflow.in
19.4 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
748 Bytes
aflow.pgroupk_Patterson.out.xz
840 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
148 Bytes
aflow.qmvasp.out.xz
916 Bytes
vasp.out.bands.xz
1.0 kB
vasp.out.static.xz
2.0 kB
vasprun.xml.bands.xz
654.8 kB
vasprun.xml.static.xz
399.2 kB
vasp.out.relax1.xz
21.4 kB
vasp.out.relax2.xz
3.5 kB
vasp.out.relax3.xz
2.2 kB
vasprun.xml.relax1.xz
133.2 kB
vasprun.xml.relax2.xz
86.1 kB
vasprun.xml.relax3.xz
99.4 kB
Rh2O3_TiZnO3
Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD
BANDS_DOS
AECCAR0.bands.xz
17.7 MB
AECCAR0.static.xz
17.7 MB
AECCAR1.bands.xz
16.7 MB
AECCAR1.static.xz
16.7 MB
AECCAR2.bands.xz
12.0 MB
AECCAR2.static.xz
12.0 MB
CHG.static.xz
6.3 MB
CHGCAR.static.xz
15.1 MB
CONTCAR.bands.xz
608 Bytes
CONTCAR.static.xz
608 Bytes
DOSCAR.bands.xz
12.0 kB
DOSCAR.static.xz
134.1 kB
EIGENVAL.bands.xz
73.1 kB
EIGENVAL.static.xz
15.4 kB
IBZKPT.static.xz
676 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
188 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
70.4 kB
LOCK.3.2.14+2D_KPPRA
70.4 kB
OSZICAR.bands.xz
380 Bytes
OSZICAR.static.xz
864 Bytes
OUTCAR.bands.xz
51.9 kB
OUTCAR.static.xz
26.6 kB
PCDAT.bands.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.bands.xz
608 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.static.xz
656 Bytes
PROCAR.bands.xz
990.0 kB
PROCAR.static.xz
285.0 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
408 Bytes
XDATCAR.static.xz
408 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
273 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
812 Bytes
aflow.in
32.9 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
1.2 kB
vasp.out.bands.xz
1.2 kB
vasp.out.static.xz
1.6 kB
vasprun.xml.bands.xz
1.2 MB
vasprun.xml.static.xz
434.0 kB
CHG.relax1.xz
30.6 MB
CHG.relax2.xz
6.0 MB
CHG.relax3.xz
6.2 MB
CHGCAR.relax1.xz
14.8 MB
CHGCAR.relax2.xz
15.7 MB
CHGCAR.relax3.xz
15.6 MB
CONTCAR.relax1.xz
620 Bytes
CONTCAR.relax2.xz
624 Bytes
CONTCAR.relax3.xz
628 Bytes
DOSCAR.relax1.xz
14.8 kB
DOSCAR.relax2.xz
14.6 kB
DOSCAR.relax3.xz
14.8 kB
EIGENVAL.relax1.xz
3.8 kB
EIGENVAL.relax2.xz
3.9 kB
EIGENVAL.relax3.xz
3.8 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
188 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
65.8 kB
LOCK.3.2.14+2D_KPPRA
65.8 kB
OSZICAR.relax1.xz
7.3 kB
OSZICAR.relax2.xz
1.1 kB
OSZICAR.relax3.xz
960 Bytes
OUTCAR.relax1.xz
183.9 kB
OUTCAR.relax2.xz
24.7 kB
OUTCAR.relax3.xz
23.9 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
584 Bytes
POSCAR.relax1.xz
648 Bytes
POSCAR.relax2.xz
620 Bytes
POSCAR.relax3.xz
624 Bytes
PROCAR.relax1.xz
57.8 kB
PROCAR.relax2.xz
57.8 kB
PROCAR.relax3.xz
57.8 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
6.0 kB
XDATCAR.relax2.xz
652 Bytes
XDATCAR.relax3.xz
664 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
275 Bytes
aflow.fgroup.out.xz
832 Bytes
aflow.iatoms.out.xz
800 Bytes
aflow.in
32.8 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.3 kB
vasp.out.relax1.xz
9.5 kB
vasp.out.relax2.xz
2.0 kB
vasp.out.relax3.xz
1.9 kB
vasprun.xml.relax1.xz
104.6 kB
vasprun.xml.relax2.xz
75.7 kB
vasprun.xml.relax3.xz
75.3 kB
Rh2O3_TiZnO3_20_0_1.9943_PBE_U_ICSD_D3
BANDS_DOS
AECCAR0.bands.xz
17.7 MB
AECCAR0.static.xz
17.7 MB
AECCAR1.bands.xz
16.6 MB
AECCAR1.static.xz
16.6 MB
AECCAR2.bands.xz
12.0 MB
AECCAR2.static.xz
12.0 MB
CHG.static.xz
6.1 MB
CHGCAR.static.xz
14.8 MB
CONTCAR.bands.xz
612 Bytes
CONTCAR.static.xz
612 Bytes
DOSCAR.bands.xz
12.3 kB
DOSCAR.static.xz
129.6 kB
EIGENVAL.bands.xz
73.5 kB
EIGENVAL.static.xz
15.4 kB
IBZKPT.static.xz
680 Bytes
INCAR.bands.xz
1.8 kB
INCAR.orig.xz
188 Bytes
INCAR.static.xz
1.7 kB
KPOINTS.bands.xz
232 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
64.2 kB
LOCK.3.2.14+2D_KPPRA
64.2 kB
OSZICAR.bands.xz
380 Bytes
OSZICAR.static.xz
852 Bytes
OUTCAR.bands.xz
52.1 kB
OUTCAR.static.xz
26.7 kB
PCDAT.bands.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.bands.xz
612 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.static.xz
648 Bytes
PROCAR.bands.xz
987.2 kB
PROCAR.static.xz
286.1 kB
REPORT.xz
32 Bytes
XDATCAR.bands.xz
404 Bytes
XDATCAR.static.xz
404 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
236 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
800 Bytes
aflow.in
39.3 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
1.2 kB
vasp.out.bands.xz
1.2 kB
vasp.out.static.xz
1.6 kB
vasprun.xml.bands.xz
1.2 MB
vasprun.xml.static.xz
436.5 kB
CHG.relax1.xz
25.6 MB
CHG.relax2.xz
6.2 MB
CHG.relax3.xz
6.2 MB
CHGCAR.relax1.xz
15.9 MB
CHGCAR.relax2.xz
16.0 MB
CHGCAR.relax3.xz
15.6 MB
CONTCAR.relax1.xz
628 Bytes
CONTCAR.relax2.xz
624 Bytes
CONTCAR.relax3.xz
628 Bytes
DOSCAR.relax1.xz
15.0 kB
DOSCAR.relax2.xz
14.9 kB
DOSCAR.relax3.xz
14.9 kB
EIGENVAL.relax1.xz
3.8 kB
EIGENVAL.relax2.xz
3.8 kB
EIGENVAL.relax3.xz
3.9 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.relax3.xz
156 Bytes
INCAR.orig.xz
188 Bytes
INCAR.relax1.xz
1.2 kB
INCAR.relax2.xz
1.2 kB
INCAR.relax3.xz
1.2 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.relax3.xz
180 Bytes
LOCK
58.5 kB
LOCK.3.2.14+2D_KPPRA
58.5 kB
OSZICAR.relax1.xz
6.1 kB
OSZICAR.relax2.xz
1.0 kB
OSZICAR.relax3.xz
980 Bytes
OUTCAR.relax1.xz
143.7 kB
OUTCAR.relax2.xz
24.8 kB
OUTCAR.relax3.xz
23.8 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.relax3.xz
184 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.relax1.xz
656 Bytes
POSCAR.relax2.xz
628 Bytes
POSCAR.relax3.xz
624 Bytes
PROCAR.relax1.xz
57.9 kB
PROCAR.relax2.xz
57.8 kB
PROCAR.relax3.xz
57.7 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
4.4 kB
XDATCAR.relax2.xz
664 Bytes
XDATCAR.relax3.xz
656 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
229 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
812 Bytes
aflow.in
39.2 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.3 kB
vasp.out.relax1.xz
7.9 kB
vasp.out.relax2.xz
1.9 kB
vasp.out.relax3.xz
1.9 kB
vasprun.xml.relax1.xz
97.1 kB
vasprun.xml.relax2.xz
75.8 kB
vasprun.xml.relax3.xz
75.6 kB
Rh2O3_TiZnO3_20_0_1.9943_SCAN_rVV10
AECCAR0.static.xz
17.7 MB
AECCAR1.static.xz
16.7 MB
AECCAR2.static.xz
12.0 MB
CHG.relax1.xz
24.8 MB
CHG.relax2.xz
6.1 MB
CHG.static.xz
6.4 MB
CHGCAR.relax1.xz
15.9 MB
CHGCAR.relax2.xz
16.1 MB
CHGCAR.static.xz
15.2 MB
CONTCAR.relax1.xz
632 Bytes
CONTCAR.relax2.xz
632 Bytes
CONTCAR.static.xz
624 Bytes
DOS
AECCAR0.static.xz
17.7 MB
AECCAR1.static.xz
16.7 MB
AECCAR2.static.xz
12.0 MB
CHG.static.xz
6.4 MB
CHGCAR.static.xz
15.2 MB
CONTCAR.static.xz
624 Bytes
DOSCAR.static.xz
130.3 kB
EIGENVAL.static.xz
14.3 kB
IBZKPT.static.xz
676 Bytes
INCAR.orig.xz
216 Bytes
INCAR.static.xz
1.5 kB
KPOINTS.static.xz
180 Bytes
LOCK
67.3 kB
LOCK.3.2.14+2D_KPPRA
67.3 kB
OSZICAR.static.xz
928 Bytes
OUTCAR.static.xz
27.0 kB
PCDAT.static.xz
184 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.static.xz
632 Bytes
PROCAR.static.xz
267.8 kB
REPORT.xz
32 Bytes
XDATCAR.static.xz
416 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
238 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
800 Bytes
aflow.in
43.6 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.1 kB
vasp.out.static.xz
2.1 kB
vasprun.xml.static.xz
413.3 kB
DOSCAR.relax1.xz
14.2 kB
DOSCAR.relax2.xz
13.8 kB
DOSCAR.static.xz
130.3 kB
EIGENVAL.relax1.xz
3.8 kB
EIGENVAL.relax2.xz
3.6 kB
EIGENVAL.static.xz
14.3 kB
IBZKPT.relax1.xz
156 Bytes
IBZKPT.relax2.xz
156 Bytes
IBZKPT.static.xz
676 Bytes
INCAR.orig.xz
216 Bytes
INCAR.relax1.xz
964 Bytes
INCAR.relax2.xz
964 Bytes
INCAR.static.xz
1.5 kB
KPOINTS.relax1.xz
180 Bytes
KPOINTS.relax2.xz
180 Bytes
KPOINTS.static.xz
180 Bytes
LOCK
67.3 kB
LOCK.3.2.14+2D_KPPRA
67.3 kB
OSZICAR.relax1.xz
9.0 kB
OSZICAR.relax2.xz
1.2 kB
OSZICAR.static.xz
928 Bytes
OUTCAR.relax1.xz
186.8 kB
OUTCAR.relax2.xz
30.3 kB
OUTCAR.static.xz
27.0 kB
PCDAT.relax1.xz
184 Bytes
PCDAT.relax2.xz
184 Bytes
PCDAT.static.xz
184 Bytes
POSCAR.orig.xz
588 Bytes
POSCAR.relax1.xz
648 Bytes
POSCAR.relax2.xz
632 Bytes
POSCAR.static.xz
632 Bytes
PROCAR.relax1.xz
54.5 kB
PROCAR.relax2.xz
54.5 kB
PROCAR.static.xz
267.8 kB
REPORT.xz
32 Bytes
XDATCAR.relax1.xz
5.4 kB
XDATCAR.relax2.xz
888 Bytes
XDATCAR.static.xz
416 Bytes
aflow.agroup.out.xz
1.1 kB
aflow.end.out
238 Bytes
aflow.fgroup.out.xz
836 Bytes
aflow.iatoms.out.xz
800 Bytes
aflow.in
43.6 kB
aflow.pgroup.out.xz
1.5 kB
aflow.pgroup_xtal.out.xz
772 Bytes
aflow.pgroupk_Patterson.out.xz
868 Bytes
aflow.pgroupk_xtal.out.xz
716 Bytes
aflow.pseudopotential_auid.out.xz
196 Bytes
aflow.qmvasp.out.xz
2.1 kB
vasp.out.relax1.xz
14.4 kB
vasp.out.relax2.xz
2.8 kB
vasp.out.static.xz
2.1 kB
vasprun.xml.relax1.xz
102.5 kB
vasprun.xml.relax2.xz
73.1 kB
vasprun.xml.static.xz
413.3 kB
README
3.7 kB