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DOI: 10.19061/iochem-bd-1-386
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- ROOT
- Bulk_structure
- Cu2+
- phonopy
- Cu2O
- surf
- slab_001
- slab_010
- slab_011
- slab_100
- slab_101
- slab_110
- slab_111
- surf
- CuO
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- phonopy
- CuOH_2__1
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- disp_027
- disp_028
- disp_029
- disp_030
- phonopy
- CuWO4_2
- CuWO4_110_surface_defects
- Cu_rich_regions
- 3Cu_1W_cluster
- 4Cu_sequence
- Cu_concentration_series
- 100_percent_Cu
- 25_percent_Cu
- 50_percent_Cu
- 75_percent_Cu
- W_rich_regions
- 3W_1Cu_cluster
- 4W_sequence
- W_concentration_series
- 100_percent_W
- 25_percent_W
- 50_percent_W
- 75_percent_W
- antisite_defects
- Cu_W_double
- Cu_W_single
- W_Cu_double
- W_Cu_single
- oxygen_vacancies
- O_vac_subsurface_double
- O_vac_subsurface_single
- O_vac_surface_double
- O_vac_surface_single
- perfect_surface
- Cu_rich_regions
- band
- surf
- slab_001
- slab_011
- slab_100
- slab_101
- slab_110
- slab_111
- CuWO4_110_surface_defects
- CuWO4_3
- DFT_U
- U_5
- U_6
- bulk
- INCAR_config_5
- mag_conv
- config_1
- config_2
- config_3
- config_4
- config_5
- config_6
- scan
- 4
- test
- scf
- config_0
- hse
- relax
- mag
- conf2
- conf3
- conf4
- conf5
- surf
- 001
- 001_a
- 001_b
- 010
- 010_a
- 010_b
- 011
- 011_a
- 011_b
- 100
- 100_a
- 100_b
- 101
- 101_a
- 101_b
- 110
- 110_a
- 110_b
- 111
- 111_a
- 111_b
- DFT_U
- CuWOx
- O_vacc
- 1
- 2
- 3
- 4
- 5
- 6
- 7
- 8
- O_vacc
- H2
- SCF
- H2O
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- phonopy
- H2O_2
- SCF
- H2O__
- H2WO4
- SCF
- phonopy
- HWO4
- SCF
- phonopy
- INCAR_U
- INCAR_config_1
- INCAR_config_5
- O2
- OH
- SCF
- W
- SCF
- phonon
- WO2
- SCF
- phonon
- WO3
- WO3_molecule
- WO4
- WO4_2
- SCF
- phonon
- pourbaix_diagram
- Cu
- phonopy
- Cu2O
- phonopy
- disp_001
- disp_002
- phonopy
- Cu2O3
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- disp_027
- disp_028
- disp_029
- disp_030
- phonopy
- Cu2O_new
- phonopy
- disp_001
- disp_002
- phonopy
- Cu2WO4
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- disp_027
- disp_028
- disp_029
- disp_030
- disp_031
- disp_032
- disp_033
- disp_034
- disp_035
- disp_036
- disp_037
- disp_038
- disp_039
- disp_040
- disp_041
- disp_042
- disp_043
- disp_044
- disp_045
- disp_046
- disp_047
- disp_048
- disp_049
- disp_050
- disp_051
- disp_052
- disp_053
- disp_054
- disp_055
- disp_056
- disp_057
- disp_058
- disp_059
- disp_060
- disp_061
- disp_062
- disp_063
- disp_064
- disp_065
- disp_066
- disp_067
- disp_068
- disp_069
- disp_070
- disp_071
- disp_072
- disp_073
- disp_074
- disp_075
- disp_076
- disp_077
- disp_078
- disp_079
- disp_080
- disp_081
- disp_082
- disp_083
- disp_084
- phonopy
- Cu3WO3_4
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- phonopy
- Cu3WO6
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- phonopy
- Cu4H2O
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- phonopy
- CuO
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- phonopy
- CuOH2
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- disp_027
- disp_028
- disp_029
- disp_030
- phonopy
- CuOH_2
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- phonopy
- CuOH_2_2
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- phonopy
- CuOH_4
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- disp_027
- disp_028
- disp_029
- disp_030
- disp_031
- disp_032
- disp_033
- disp_034
- disp_035
- disp_036
- disp_037
- disp_038
- disp_039
- disp_040
- disp_041
- disp_042
- disp_043
- disp_044
- disp_045
- disp_046
- disp_047
- disp_048
- disp_049
- disp_050
- disp_051
- disp_052
- disp_053
- disp_054
- phonopy
- CuWO4
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- phonopy
- H2
- phonopy
- disp_001
- disp_002
- phonopy
- H2O
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_010
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- phonopy
- H2WO4
- phonopy
- disp_001
- disp_002
- disp_003
- disp_004
- disp_005
- disp_006
- disp_007
- disp_008
- disp_009
- disp_010
- disp_011
- disp_012
- disp_013
- disp_014
- disp_015
- disp_016
- disp_017
- disp_018
- disp_019
- disp_020
- disp_021
- disp_022
- disp_023
- disp_024
- disp_025
- disp_026
- phonopy
- WO4
- phonopy
- Cu
- Cu2+
- Cu111_test_recon
- WO3
- rm_WO3
- CO40
- CO53
- CO61
- OH40
- zpe
- OH61
- CuOx_testDD
- model_1
- CCH2
- CCO
- CH2
- CH2CH2
- CHCH
- CHCH2
- CHCH3
- CHO
- CO
- CO2
- CO38
- CO48
- CO54
- COCOH
- H
- HCCO
- OCCO
- 2CO
- OCHCH
- OH
- model_2
- CO
- OCCO
- OH
- model_1
- bulk
- recons
- Cu_recon
- v_o4
- test
- surf
- bulk
- slab_001
- slab_010
- slab_011
- slab_100
- corr
- CO
- H
- OCCO
- corr
- slab_101
- slab_110
- slab_111
- Bulk_structure
