Bader analysis: NiGa

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Atom Settings:

  Ni Color: (,,)


  Ni Size:


  Ga Color: (,,)


  Ga Size:



Connection Settings:

NiNi Connection Max. Length:

NiGa Connection Max. Length:

GaGa Connection Max. Length:

NiNi Connection Radius:

NiGa Connection Radius:

GaGa Connection Radius:



Bader Charge:


Bader Coefficient:


Scale Sphere Postition X-Shift:

Scale Sphere Position Y-Compress:

Show Scale Spheres:



Add Polyhedra:

Atom Centered

Polyhedron Radius:

Material Transparency:

Material Color: (,,)

Non Centered

Material Transparency:

Material Color: (,,)



Template Settings:



System Name: NiGa
Structure Type: CsCl
HMS Space Group: 'Pm-3m'
Number of Unique Sites: 2

Atom type 1
Profile: Ni-0.000000
PSP type: 0
Localized electrons: 4.115500
Atomic charge: -0.272
Num. of equivalent sites: 1 site

Atom type 2
Profile: Ga-0.000000
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.272
Num. of equivalent sites: 1 site

Hartwigsen-Goedecker-Hutter psp for Ga, 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: 20-04-2020