CP analysis: TiNiSi_CP_I25

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:

  Ti Color: (,,)


  Ti Size:


  Ni Color: (,,)


  Ni Size:


  Si Color: (,,)


  Si Size:



Connection Settings:

Ti-Ti Connection Maximum Length:

Ti-Ni Connection Maximum Length:

Ti-Si Connection Maximum Length:

Ni-Ni Connection Maximum Length:

Ni-Si Connection Maximum Length:

Si-Si Connection Maximum Length:

Ti-Ti Connection Radius:

Ti-Ni Connection Radius:

Ti-Si Connection Radius:

Ni-Ni Connection Radius:

Ni-Si Connection Radius:

Si-Si 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: TiNiSi
Number of Unique Sites: 3

Atom type 1
Profile: Ti1-den
PSP type: 0
Localized electrons: 0.417000

Atom type 2
Profile: Ni1-den
PSP type: 0
Localized electrons: 3.692000

Atom type 3
Profile: Si1-den
PSP type: 0
Localized electrons: 0.000000

Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, 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: 05-06-2020