Bader analysis: Y2Ni7_Gd2Co7

Atom Settings:

  Y Color: (,,)

  Y Size: Å

  Ni Color: (,,)

  Ni Size: Å

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Connection Settings:

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Bader Charge:

Bader Coefficient:

Scale Sphere Postition X-Shift:

Scale Sphere Position Y-Compress:

Show Scale Spheres:

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Add Polyhedra:

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Template Settings:

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System Name: Y2Ni7
Structure Type: Unknown
HMS Space Group:
Number of Unique Sites: 1

Atom type 1
Profile: Y-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 1.315
Num. of equivalent sites: 2 equivalent sites

Atom type 2
Profile: Y-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 1.1
Num. of equivalent sites: 2 equivalent sites

Atom type 3
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.477
Num. of equivalent sites: 1 site

Atom type 4
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.267
Num. of equivalent sites: 2 equivalent sites

Atom type 5
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.256
Num. of equivalent sites: 2 equivalent sites

Atom type 6
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.304
Num. of equivalent sites: 3 equivalent sites

Atom type 7
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.403
Num. of equivalent sites: 6 equivalent sites

Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Version 7.10.5 of ABINIT
DFT Method: Local Density Approximation
Atomic Volume Partioning Method: Bader

Bader Scheme Contributor: jvanbuskirk
Calculation was completed on: __-__-____