Bader analysis: InMg

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Atom Settings:

  In Color: (,,)


  In Size:


  Mg Color: (,,)


  Mg Size:



Connection Settings:

InIn Connection Max. Length:

InMg Connection Max. Length:

MgMg Connection Max. Length:

InIn Connection Radius:

InMg Connection Radius:

MgMg 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: InMg
Structure Type: CuAu
HMS Space Group:
Number of Unique Sites: 1

Atom type 1
Profile: In-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -1.2172
Num. of equivalent sites: 1 site

Atom type 2
Profile: Mg-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 1.2172
Num. of equivalent sites: 1 site

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

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