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.DS_Store
6.1 kB
Main_paper
BaTiO3
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
CoO
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
FeO
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
MnO
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
NiO
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
ZnO
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
ZrO2
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
Supplemental_information
.DS_Store
8.2 kB
BaTiO3
ACBN0_UV_structure_sc
with_O_2p
2_cycle
3_cycle
4_cycle
5_cycle
6_cycle
7_cycle
without_O_2p
2_cycle
3_cycle
4_cycle
5_cycle
6_cycle
ACBN0_U_structure_sc
with_O_2p
2_cycle
3_cycle
4_cycle
5_cycle
6_cycle
without_O_2p
2_cycle
LRT_structure_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
CoO
.DS_Store
6.1 kB
ACBN0_UV_structure_sc
with_O_2p
1_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
732.8 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
785.3 kB
CoO.scf.in
1.3 kB
CoO.scf.out
405.2 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.1 MB
2_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
711.2 kB
CoO.gga.in
1.3 kB
CoO.gga.out
210.2 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
785.3 kB
CoO.scf.in
1.3 kB
CoO.scf.out
516.7 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
407.5 kB
without_O_2p
1_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
767.3 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
785.3 kB
CoO.scf.in
1.3 kB
CoO.scf.out
551.2 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.2 MB
2_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
801.9 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.4 MB
3_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
684.6 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.3 MB
4_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
684.5 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
785.3 kB
CoO.scf.in
1.3 kB
CoO.scf.out
517.5 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
406.0 kB
ACBN0_U_structure_sc
with_O_2p
1_cycle
CoO.acbn0.in
1.3 kB
CoO.acbn0.out
349.7 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
784.1 kB
CoO.scf.in
1.3 kB
CoO.scf.out
524.5 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.2 MB
2_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
452.4 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.2 MB
3_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
754.8 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
557.7 kB
4_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
646.2 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
554.3 kB
5_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
752.8 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
784.1 kB
CoO.scf.in
1.3 kB
CoO.scf.out
509.8 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
393.1 kB
without_O_2p
1_cycle
CoO.acbn0.in
1.3 kB
CoO.acbn0.out
299.1 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
784.1 kB
CoO.scf.in
1.3 kB
CoO.scf.out
518.5 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.3 MB
2_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
461.5 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
1.2 MB
3_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
298.2 kB
CoO.gga.in
1.3 kB
CoO.gga.out
203.8 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
729.2 kB
4_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
311.3 kB
CoO.gga.in
1.3 kB
CoO.gga.out
203.8 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
558.3 kB
5_cycle
CoO.acbn0.in
1.4 kB
CoO.acbn0.out
311.3 kB
CoO.gga.in
1.3 kB
CoO.gga.out
205.4 kB
CoO.nscf.in
1.3 kB
CoO.nscf.out
784.1 kB
CoO.scf.in
1.3 kB
CoO.scf.out
510.3 kB
CoO.vcrlx.in
1.4 kB
CoO.vcrlx.out
394.1 kB
LRT_structure_sc
.DS_Store
6.1 kB
LRT_U
with_O_2p
1_vcrelax
2_calc_U
3_vcrelax
4_calc_U
without_O_2p
1_PBEsol_optimized
2_LRT_U
3_vcrelax_U
4_LRT_U
5_vcrelax_U
6_LRT_U
7_vcrelax_U
8_LRT_U
LRT_UV
with_O_2p
1_vcrelax
2_calc_UV
3_vcrelax
4_calcUV
5_vcrelax
6_calc_UV
without_O_2p
1_PBEsol_optimized
2_vcrelax
3_LRT_UV
4_vcrelax
5_LRT_UV
6_vcrelax
7_LRT_UV
FeO
.DS_Store
6.1 kB
ACBN0_UV_structure_sc
with_O_2p
1_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
709.8 kB
FeO.gga.in
1.3 kB
FeO.gga.out
199.4 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
753.2 kB
FeO.scf.in
1.3 kB
FeO.scf.out
491.9 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
1.2 MB
2_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
599.3 kB
3_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
550.9 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
753.2 kB
FeO.scf.in
1.3 kB
FeO.scf.out
490.3 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
388.3 kB
without_O_2p
1_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
703.7 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
753.2 kB
FeO.scf.in
1.3 kB
FeO.scf.out
501.8 kB
FeO.vcrlx.in
1.5 kB
FeO.vcrlx.out
1.1 MB
2_cycle
FeO.acbn0.in
1.5 kB
FeO.acbn0.out
758.1 kB
FeO.vcrlx.in
1.5 kB
FeO.vcrlx.out
1.1 MB
3_cycle
FeO.acbn0.in
1.5 kB
FeO.acbn0.out
1.1 MB
FeO.vcrlx.in
1.5 kB
FeO.vcrlx.out
567.5 kB
4_cycle
FeO.acbn0.in
1.5 kB
FeO.acbn0.out
1.3 MB
FeO.nscf.in
1.3 kB
FeO.nscf.out
753.2 kB
FeO.scf.in
1.3 kB
FeO.scf.out
514.9 kB
FeO.vcrlx.in
1.5 kB
FeO.vcrlx.out
405.7 kB
ACBN0_U_structure_sc
with_O_2p
1_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
379.3 kB
FeO.gga.in
1.3 kB
FeO.gga.out
193.2 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
752.0 kB
FeO.scf.in
1.3 kB
FeO.scf.out
489.1 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
1.2 MB
2_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
266.8 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
721.7 kB
3_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
253.3 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
557.4 kB
4_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
247.5 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
752.0 kB
FeO.scf.in
1.3 kB
FeO.scf.out
484.2 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
393.6 kB
without_O_2p
1_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
408.0 kB
FeO.gga.in
1.3 kB
FeO.gga.out
192.9 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
752.0 kB
FeO.scf.in
1.3 kB
FeO.scf.out
487.2 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
1.2 MB
2_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
325.9 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
686.0 kB
3_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
332.5 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
525.3 kB
4_cycle
FeO.acbn0.in
1.4 kB
FeO.acbn0.out
337.4 kB
FeO.nscf.in
1.3 kB
FeO.nscf.out
752.0 kB
FeO.scf.in
1.3 kB
FeO.scf.out
483.9 kB
FeO.vcrlx.in
1.4 kB
FeO.vcrlx.out
373.4 kB
LRT_structure_sc
.DS_Store
6.1 kB
LRT_U
.DS_Store
6.1 kB
with_O_2p
1_vcrelax
2_calc_U
3_vcrelax
4_calc_U
without_O_2p
.DS_Store
6.1 kB
10_LRT_U
11_vcrelax_U
12_LRT_U
13_vcrelax_U
14_LRT_U
1_PBEsol_optimized
2_LRT_U
3_vcrelax_U
4_LRT_U
5_vcrelax_U
6_LRT_U
7_vcrelax_U
8_LRT_U
9_vcrelax_U
LRT_UV
with_O_2p
10_calc_UV
11_vcrelax
12_calc_UV
13_vcrelax
14_calc_UV
15_vcrelax
16_calc_UV
17_vcrelax
18_calc_UV
1_vcrelax
2_calc_UV
3_vcrelax
4_calc_UV
5_vcrelax
6_calc_UV
7_vcrelax
8_calc_UV
9_vcrelax
without_O_2p
1_PBEsol_optimized
2_vcrelax
3_LRT_UV
4_vcrelax
5_LRT_UV
6_vcrelax
7_LRT_UV
MnO
.DS_Store
6.1 kB
ACBN0_UV_structure_sc
with_O_2p
2_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
564.3 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
537.7 kB
3_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
571.3 kB
MnO.nscf.in
1.3 kB
MnO.nscf.out
737.2 kB
MnO.scf.in
1.3 kB
MnO.scf.out
480.5 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
381.5 kB
without_O_2p
2_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
606.0 kB
MnO.vcrlx.in
1.5 kB
MnO.vcrlx.out
537.8 kB
3_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
550.4 kB
MnO.nscf.in
1.3 kB
MnO.nscf.out
737.2 kB
MnO.scf.in
1.3 kB
MnO.scf.out
479.5 kB
MnO.vcrlx.in
1.5 kB
MnO.vcrlx.out
383.1 kB
ACBN0_U_structure_sc
with_O_2p
2_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
342.0 kB
MnO.nscf.in
1.3 kB
MnO.nscf.out
736.1 kB
MnO.scf.in
1.3 kB
MnO.scf.out
474.0 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
370.5 kB
without_O_2p
2_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
482.5 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
683.4 kB
3_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
687.4 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
683.4 kB
4_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
524.0 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
1.1 MB
5_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
319.8 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
667.0 kB
6_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
308.0 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
511.8 kB
7_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
308.0 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
512.2 kB
8_cycle
MnO.acbn0.in
1.4 kB
MnO.acbn0.out
306.3 kB
MnO.nscf.in
1.3 kB
MnO.nscf.out
736.1 kB
MnO.scf.in
1.3 kB
MnO.scf.out
469.7 kB
MnO.vcrlx.in
1.4 kB
MnO.vcrlx.out
364.3 kB
LRT_structure_sc
.DS_Store
6.1 kB
LRT_U
.DS_Store
6.1 kB
with_O_2p
1_vcrelax
2_calc_U
3_vcrelax
4_calc_U
without_O_2p
.DS_Store
6.1 kB
10_LRT_U
1_PBEsol_optimized
2_LRT_U
3_vcrelax_U
4_LRT_U
5_vcrelax_U
6_LRT_U
7_vcrelax_U
8_LRT_U
9_vcrelax_U
LRT_UV
with_O_2p
1_vcrelax
2_calc_UV
3_vcrelax
4_calc_UV
5_vcrelax
6_calc_UV
without_O_2p
1_PBEsol_optimized
2_vcrelax
3_LRT_UV
4_vcrelax
5_LRT_UV
6_vcrelax
7_LRT_UV
NiO
.DS_Store
6.1 kB
ACBN0_UV_structure_sc
with_O_2p
2_cycle
3_cycle
without_O_2p
2_cycle
3_cycle
ACBN0_U_structure_sc
with_O_2p
2_cycle
3_cycle
without_O_2p
2_cycle
3_cycle
4_cycle
5_cycle
LRT_structure_sc
.DS_Store
6.1 kB
LRT_U
.DS_Store
6.1 kB
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
PSlibrary_results
CoO_ps
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
FeO_ps
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
MnO_ps
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
NiO_ps
ACBN0_UV_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
ACBN0_U_sc
with_O_2p
1_cycle
without_O_2p
1_cycle
LRT_sc
LRT_U
with_O_2p
without_O_2p
LRT_UV
with_O_2p
without_O_2p
ZnO
ACBN0_UV_structure_sc
with_O_2p
2_cycle
zno.acbn0.in
1.4 kB
zno.acbn0.out
240.7 kB
zno.nscf.in
1.4 kB
zno.nscf.out
347.9 kB
zno.scf.in
1.3 kB
zno.scf.out
161.2 kB
zno.vcrlx.in
1.5 kB
zno.vcrlx.out
462.0 kB
without_O_2p
2_cycle
zno.acbn0.in
1.4 kB
zno.acbn0.out
219.7 kB
zno.nscf.in
1.4 kB
zno.nscf.out
347.9 kB
zno.scf.in
1.4 kB
zno.scf.out
161.2 kB
zno.vcrlx.in
1.5 kB
zno.vcrlx.out
461.2 kB
ACBN0_U_structure_sc
with_O_2p
2_cycle
zno.acbn0.in
1.4 kB
zno.acbn0.out
178.3 kB
zno.nscf.in
1.4 kB
zno.nscf.out
347.1 kB
zno.scf.in
1.3 kB
zno.scf.out
157.1 kB
zno.vcrlx.in
1.5 kB
zno.vcrlx.out
451.4 kB
without_O_2p
2_cycle
zno.acbn0.in
1.4 kB
zno.acbn0.out
168.3 kB
zno.nscf.in
1.3 kB
zno.nscf.out
347.1 kB
zno.scf.in
1.3 kB
zno.scf.out
156.8 kB
zno.vcrlx.in
1.5 kB
zno.vcrlx.out
449.6 kB
LRT_structure_sc
LRT_U
with_O_2p
1_cycle
2_cycle
3_cycle
without_O_2p
1_cycle
2_cycle
3_cycle
LRT_UV
with_O_2p
1_cycle
2_cycle
3_cycle
without_O_2p
1_cycle
2_cycle
3_cycle
ZrO2
ACBN0_UV_structure_sc
with_O_2p
2_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
684.3 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
2.1 MB
3_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
729.3 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
4.3 MB
4_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
714.3 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
1.5 MB
5_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
714.3 kB
zro2.nscf.in
1.9 kB
zro2.nscf.out
969.7 kB
zro2.scf.in
1.9 kB
zro2.scf.out
263.7 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
769.8 kB
without_O_2p
2_cycle
zro2.acbn0.in
2.0 kB
zro2.acbn0.out
608.9 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
5.5 MB
3_cycle
zro2.acbn0.in
2.0 kB
zro2.acbn0.out
609.5 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
1.5 MB
4_cycle
zro2.acbn0.in
2.0 kB
zro2.acbn0.out
624.2 kB
zro2.nscf.in
1.9 kB
zro2.nscf.out
970.2 kB
zro2.scf.in
1.9 kB
zro2.scf.out
264.9 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
777.1 kB
ACBN0_U_structure_sc
with_O_2p
2_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
348.9 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
927.3 kB
3_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
342.0 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
918.5 kB
4_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
331.5 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
953.8 kB
5_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
331.4 kB
zro2.nscf.in
1.9 kB
zro2.nscf.out
966.3 kB
zro2.scf.in
1.9 kB
zro2.scf.out
250.4 kB
zro2.vcrlx.in
2.0 kB
zro2.vcrlx.out
733.7 kB
without_O_2p
2_cycle
zro2.acbn0.in
1.9 kB
zro2.acbn0.out
286.6 kB
zro2.nscf.in
1.8 kB
zro2.nscf.out
966.9 kB
zro2.scf.in
1.9 kB
zro2.scf.out
251.4 kB
zro2.vcrlx.in
1.9 kB
zro2.vcrlx.out
731.7 kB
LRT_structure_sc
LRT_U
with_O_2p
1_cycle
2_cycle
3_cycle
4_cycle
5_cycle
without_O_2p
1_cycle
2_cycle
3_cycle
4_cycle
5_cycle
6_cycle
7_cycle
8_cycle
LRT_UV
with_O_2p
1_cycle
2_cycle
3_cycle
4_cycle
5_cycle
6_cycle
without_O_2p
1_cycle
2_cycle
3_cycle
4_cycle
__MACOSX
Files
._.DS_Store
120 Bytes
Supplemental_information
._.DS_Store
120 Bytes
CoO
._.DS_Store
120 Bytes
LRT_structure_sc
._.DS_Store
120 Bytes
LRT_U
with_O_2p
._1_vcrelax
212 Bytes
._2_calc_U
212 Bytes
._3_vcrelax
212 Bytes
._4_calc_U
212 Bytes
without_O_2p
._1_PBEsol_optimized
212 Bytes
._2_LRT_U
212 Bytes
._3_vcrelax_U
212 Bytes
._4_LRT_U
212 Bytes
._5_vcrelax_U
212 Bytes
._6_LRT_U
212 Bytes
._7_vcrelax_U
212 Bytes
._8_LRT_U
212 Bytes
LRT_UV
with_O_2p
._1_vcrelax
212 Bytes
._2_calc_UV
212 Bytes
._3_vcrelax
212 Bytes
._4_calcUV
212 Bytes
._5_vcrelax
212 Bytes
._6_calc_UV
212 Bytes
without_O_2p
._1_PBEsol_optimized
212 Bytes
._2_vcrelax
212 Bytes
._3_LRT_UV
212 Bytes
._4_vcrelax
212 Bytes
._5_LRT_UV
212 Bytes
._6_vcrelax
212 Bytes
._7_LRT_UV
212 Bytes
FeO
._.DS_Store
120 Bytes
LRT_structure_sc
._.DS_Store
120 Bytes
LRT_U
._.DS_Store
120 Bytes
with_O_2p
._1_vcrelax
212 Bytes
._2_calc_U
212 Bytes
._3_vcrelax
212 Bytes
._4_calc_U
212 Bytes
without_O_2p
._.DS_Store
120 Bytes
._10_LRT_U
212 Bytes
._11_vcrelax_U
212 Bytes
._12_LRT_U
212 Bytes
._13_vcrelax_U
212 Bytes
._14_LRT_U
212 Bytes
._1_PBEsol_optimized
212 Bytes
._2_LRT_U
212 Bytes
._3_vcrelax_U
212 Bytes
._4_LRT_U
212 Bytes
._5_vcrelax_U
212 Bytes
._6_LRT_U
212 Bytes
._7_vcrelax_U
212 Bytes
._8_LRT_U
212 Bytes
._9_vcrelax_U
212 Bytes
LRT_UV
with_O_2p
._10_calc_UV
212 Bytes
._11_vcrelax
212 Bytes
._12_calc_UV
212 Bytes
._13_vcrelax
212 Bytes
._14_calc_UV
212 Bytes
._15_vcrelax
212 Bytes
._16_calc_UV
212 Bytes
._17_vcrelax
212 Bytes
._18_calc_UV
212 Bytes
._1_vcrelax
212 Bytes
._2_calc_UV
212 Bytes
._3_vcrelax
212 Bytes
._4_calc_UV
212 Bytes
._5_vcrelax
212 Bytes
._6_calc_UV
212 Bytes
._7_vcrelax
212 Bytes
._8_calc_UV
212 Bytes
._9_vcrelax
212 Bytes
without_O_2p
._1_PBEsol_optimized
212 Bytes
._2_vcrelax
212 Bytes
._3_LRT_UV
212 Bytes
._4_vcrelax
212 Bytes
._5_LRT_UV
212 Bytes
._6_vcrelax
212 Bytes
._7_LRT_UV
212 Bytes
MnO
._.DS_Store
120 Bytes
LRT_structure_sc
._.DS_Store
120 Bytes
LRT_U
._.DS_Store
120 Bytes
with_O_2p
._1_vcrelax
212 Bytes
._2_calc_U
212 Bytes
._3_vcrelax
212 Bytes
._4_calc_U
212 Bytes
without_O_2p
._.DS_Store
120 Bytes
._10_LRT_U
212 Bytes
._1_PBEsol_optimized
212 Bytes
._2_LRT_U
212 Bytes
._3_vcrelax_U
212 Bytes
._4_LRT_U
212 Bytes
._5_vcrelax_U
212 Bytes
._6_LRT_U
212 Bytes
._7_vcrelax_U
212 Bytes
._8_LRT_U
212 Bytes
._9_vcrelax_U
212 Bytes
LRT_UV
with_O_2p
._1_vcrelax
212 Bytes
._2_calc_UV
212 Bytes
._3_vcrelax
212 Bytes
._4_calc_UV
212 Bytes
._5_vcrelax
212 Bytes
._6_calc_UV
212 Bytes
without_O_2p
._1_PBEsol_optimized
212 Bytes
._2_vcrelax
212 Bytes
._3_LRT_UV
212 Bytes
._4_vcrelax
212 Bytes
._5_LRT_UV
212 Bytes
._6_vcrelax
212 Bytes
._7_LRT_UV
212 Bytes
NiO
._.DS_Store
120 Bytes
LRT_structure_sc
._.DS_Store
120 Bytes
LRT_U
._.DS_Store
120 Bytes