CP analysis: CaCu5_CP_I100

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New CP Scale:

Current CP Scale:




Atom Settings:

  Ca Color: (,,)


  Ca Size:


  Cu Color: (,,)


  Cu Size:



Connection Settings:

Ca-Ca Connection Maximum Length:

Ca-Cu Connection Maximum Length:

Cu-Cu Connection Maximum Length:

Ca-Ca Connection Radius:

Ca-Cu Connection Radius:

Cu-Cu Connection Radius:



Add Polyhedra:

Atom Centered

Polyhedron Radius:

Material Transparency:

Material Color: (,,)

Non Centered

Material Transparency:

Material Color: (,,)



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ScaleBar Size: GPa



Template Settings:



System Name: CaCu5
Number of Unique Sites: 3

Atom type 1
Profile: Ca1-den
PSP type: 0
Localized electrons: 0.000000

Atom type 2
Profile: Cu1-den
PSP type: 1
Localized electrons: 4.401000

Atom type 3
Profile: Cu2-den
PSP type: 1
Localized electrons: 4.321000

Hartwigsen-Goedecker-Hutter psp for Ca, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ca, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ca, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, 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: 17-11-2021