CP analysis: SiMg2_CP_I0

Main Page Atomic Charges CP 0% Ionicity CP 25% Ionicity CP 50% Ionicity CP 75% Ionicity CP 100% Ionicity Band Struct + DOS Download Data Updates

CP Scale:

New CP Scale:

Current CP Scale:




Atom Settings:

  Si Color: (,,)


  Si Size:


  Mg Color: (,,)


  Mg Size:



Connection Settings:

Si-Si Connection Maximum Length:

Si-Mg Connection Maximum Length:

Mg-Mg Connection Maximum Length:

Si-Si Connection Radius:

Si-Mg Connection Radius:

Mg-Mg Connection Radius:



Add Polyhedra:

Atom Centered

Polyhedron Radius:

Material Transparency:

Material Color: (,,)

Non Centered

Material Transparency:

Material Color: (,,)



ScaleBar Settings:

ScaleBar Postition X-Shift:

ScaleBar Postition Y-Shift:

Show ScaleBar:

ScaleBar Size: GPa



Template Settings:



System Name: SiMg2
Number of Unique Sites: 2

Atom type 1
Profile: Si-0.000000
PSP type: 0
Localized electrons: 0.105343

Atom type 2
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.179150

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

CP Scheme Contributor: jvanbuskirk, UW-Madison
Calculation was completed on: 09-05-2022