CP analysis: NiAs2_CP_I100

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CP Scale:

New CP Scale:

Current CP Scale:




Atom Settings:

  Ni Color: (,,)


  Ni Size:


  As Color: (,,)


  As Size:



Connection Settings:

Ni-Ni Connection Maximum Length:

Ni-As Connection Maximum Length:

As-As Connection Maximum Length:

Ni-Ni Connection Radius:

Ni-As Connection Radius:

As-As 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: NiAs2
Number of Unique Sites: 3

Atom type 1
Profile: Ni_100
PSP type: 0
Localized electrons: 3.903

Atom type 2
Profile: As1_100
PSP type: 0
Localized electrons: 0.000000

Atom type 3
Profile: As2_100
PSP type: 0
Localized electrons: 0.0135

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

CP Scheme Contributor: kkamp, UW-Madison
Calculation was completed on: 04-05-2021