Element = Au
| ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
|---|---|---|---|---|---|---|---|---|---|
| 13 | Au.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
| 14 | Au.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
| 15 | Au.pbe-nd-rrkjus.UPF | GGA | PBE | Y | RRKJ | Y | N | d | QE |
| 16 | Au.pbe-van_ak.UPF | GGA | PBE | Y | Van | N | N | none | QE |
| 17 | Au.pw91-d-van.UPF | GGA | PW91 | Y | Van | N | N | d | QE |
| 18 | Au.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
| 19 | Au.pz-d-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | N | d | QE |
| 20 | Au.pz-d-van.UPF | LDA | PZ | Y | Van | N | N | d | QE |
| 21 | Au.pz-d-van_ak.UPF | LDA | PZ | Y | Van | N | N | d | QE |
| 22 | Au.rel-pz-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | Y | none | QE |
| 334 | 79au.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
| 439 | 79-Au.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
| 583 | 79au.1.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
| 584 | 79au.11.hgh | LDA | TP | N | HGH | N | N | d | Abinit |
| 726 | Au_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
| 727 | Au_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
| 858 | au.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
| 859 | au.optgga2.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
| 921 | Au.psf | LDA | PZ | N | TM | N | N | none | Siesta |
| 993 | Au-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
| 1008 | Au.rel-pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | d | QE |
| 1009 | Au.rel-pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | d | QE |
| 1088 | Au.pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | d | QE |
| 1089 | Au.pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | d | QE |
24 pseudopotentials found in the Virtual Vault