CP analysis: MoS2_CP_I50

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CP Scale:

New CP Scale:

Current CP Scale:




Atom Settings:

  Mo Color: (,,)


  Mo Size:


  S Color: (,,)


  S Size:



Connection Settings:

Mo-Mo Connection Maximum Length:

Mo-S Connection Maximum Length:

S-S Connection Maximum Length:

Mo-Mo Connection Radius:

Mo-S Connection Radius:

S-S 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: MoS2
Number of Unique Sites: 2

Atom type 1
Profile: Mo1-den
PSP type: 0
Localized electrons: 0.0

Atom type 2
Profile: S1-den
PSP type: 0
Localized electrons: 0.5900915

Hartwigsen-Goedecker-Hutter psp for Mo, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for S, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mo, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for S, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mo, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for S, 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: 03-10-2022