High-performance Computing Facilities
Materials Research Codes
Quantum Monte Carlo
- CHAMP(vmc/dmc)
- CASINO(vmc/dmc)
- QMCPACK(vmc/dmc)
Planewave basis, pseudopotential, Density Functional Theory
- VASP (dft,
Planewave/Pseudopotential) - Manual
- ABINIT(dft,
planewave/pseudopotential)
- PWSCF (dft,
Planewave/Pseudopotential)
- CPMD (dft/md,
Planewave/Pseudopotential)
(Manual)
(Tutorial)
- CPW2000 (Jose Luis Martins dft, input for CHAMP)
Gaussian basis, all-electron/pseudopotential, Density Functional Theory
- GAUSSIAN (dft, Gaussian Gasis
Set/All Electron/Pseudopotential) - Manual
- CRYSTAL (dft, Gaussian Basis
Set/All Electron/Pseudopotential)
Pseudopotential Generation
- Atom
(Troullier-Martins)
pseudopotential generation code - Manual
- Opium
Materials Science and Condensed Matter Physics References
Information Sites
Notes
Physics Job Postings
OSU links