Clovis LAPOINTE, Saclay Nuclear Research Centre (CEA Saclay)
This work has received funding from GENCI - (CINES/CCRT) computer centre under Grant No. A0090906973
B52: "[missing title]", [missing journal] .
System composition: Mo_128
Number of atoms: 128
Number of atom types: 1
Structure details: Bulk structure calculation
[Bulk structure calculation]
bulk calculationn / reference.
Calculation type: structural relaxation
Code: VASP 5.4.1
Exchange correlation: GGA
Exchange correlation comment: GGA
kpoints density: 0.15 0.5
Ecut: 500.0 eV
Smearing type: Methfessel-Paxton
Smearing energy: 0.1 eV
Electronic density convergence criterion: 0.000001
Magnetism included? No
The bulk reference
Name: "PAW_PBE Mo_sv"