CP analysis: MgCu2_CP_I75

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Atom Settings:

  Cu Color: (,,)


  Cu Size:


  Mg Color: (,,)


  Mg Size:



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Cu-Mg Connection Maximum Length:

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Atom Centered

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System Name: MgCu2
Number of Unique Sites: 2

Atom type 1
Profile: Cu1-den
PSP type: 1
Localized electrons: 5.510948

Atom type 2
Profile: Mg1-den
PSP type: 0
Localized electrons: 0.000000

Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, 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: 15-11-2022