Element = P
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
179 | P.blyp-mt.UPF | GGA | BLYP | N | TM | N | N | none | QE |
180 | P.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
182 | P.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
189 | P.pbe-n-van.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
190 | P.pbe-van_ak.UPF | GGA | PBE | Y | Van | N | N | none | QE |
191 | P.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
192 | P.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
193 | P.pz-bhs.UPF | LDA | PZ | N | BHS | N | N | none | QE |
194 | P.pz-van_ak.UPF | LDA | PZ | Y | Van | N | N | none | QE |
274 | 15p.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
379 | 15-P.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
467 | 15p.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
487 | 15p.5.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
626 | P_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
627 | P_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
877 | P.psf | LDA | PZ | N | TM | N | N | none | Siesta |
950 | P-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1058 | P.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1059 | P.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1131 | P.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1132 | P.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
21 pseudopotentials found in the Virtual Vault