Element = Ga
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
84 | Ga.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
85 | Ga.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
86 | Ga.pz-bhs.UPF | LDA | PZ | N | BHS | N | N | none | QE |
288 | 31ga.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
395 | 31-Ga-3d.GGA.fhi | GGA | PBE | N | TM | N | N | d | Abinit |
396 | 31-Ga.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
515 | 31ga.3.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
516 | 31ga.13.hgh | LDA | TP | N | HGH | N | N | d | Abinit |
658 | Ga_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
659 | Ga_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
824 | ga.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
893 | Ga.nosemicore.psf | LDA | PZ | N | TM | N | N | none | Siesta |
894 | Ga-3d.psf | LDA | PZ | N | TM | N | N | d | Siesta |
966 | Ga-gga.nosemicore.psf | GGA | PBE | N | TM | N | N | none | Siesta |
967 | Ga-gga-3d.psf | GGA | PBE | N | TM | N | N | d | Siesta |
1030 | Ga.rel-pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | d | QE |
1031 | Ga.rel-pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | d | QE |
1104 | Ga.pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | d | QE |
1105 | Ga.pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | d | QE |
19 pseudopotentials found in the Virtual Vault