CP analysis: Mn2As_CP-atomcell

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CP Scale:

New CP Scale:

Current CP Scale:




Atom Settings:

  As Color: (,,)


  As Size:


  Mn Color: (,,)


  Mn Size:



Connection Settings:

As-As Connection Maximum Length:

As-Mn Connection Maximum Length:

Mn-Mn Connection Maximum Length:

As-As Connection Radius:

As-Mn Connection Radius:

Mn-Mn 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: Mn2As
Number of Unique Sites: 1

Atom type 1
Profile: As-0
PSP type: 0
Localized electrons: 0.000000

Atom type 2
Profile: Mn-0
PSP type: 0
Localized electrons: 0.000000

Atom type 3
Profile: Mn-0
PSP type: 0
Localized electrons: 0.000000

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

CP Scheme Contributor: jdkraus, UW-Madison
Calculation was completed on: __-__-____