New CP Scale:
Current CP Scale:
  Mo Color: (,,)
  Mo Size: Å
  S Color: (,,)
  S Size: Å
Mo-Mo Connection Maximum Length: Å
Mo-S Connection Maximum Length: Å
S-S Connection Maximum Length: Å
Mo-Mo Connection Radius: Å
Mo-S Connection Radius: Å
S-S Connection Radius: Å
Atom Centered
Polyhedron Radius: Å
Material Transparency:
Material Color: (,,)
Non Centered
Material Transparency:
Material Color: (,,)
ScaleBar Postition X-Shift:
ScaleBar Postition Y-Shift:
Show ScaleBar:
ScaleBar Size: GPa
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