Bader analysis: NaCd2_MgZn2

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Atom Settings:

  Na Color: (,,)


  Na Size:


  Cd Color: (,,)


  Cd Size:



Connection Settings:

NaNa Connection Max. Length:

NaCd Connection Max. Length:

CdCd Connection Max. Length:

NaNa Connection Radius:

NaCd Connection Radius:

CdCd 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: NaCd2
Structure Type: Unknown
HMS Space Group:
Number of Unique Sites: 1

Atom type 1
Profile: Na-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.5965
Num. of equivalent sites: 4 equivalent sites

Atom type 2
Profile: Cd-0
PSP type: 1
Localized electrons: 0.000000
Atomic charge: -0.3136
Num. of equivalent sites: 2 equivalent sites

Atom type 3
Profile: Cd-0
PSP type: 1
Localized electrons: 0.000000
Atomic charge: -0.2931
Num. of equivalent sites: 6 equivalent sites

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

Bader Scheme Contributor: kmsanders2
Calculation was completed on: __-__-____