Element = O
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
164 | O.blyp-mt.UPF | GGA | BLYP | N | TM | N | N | none | QE |
165 | O.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
166 | O.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
167 | O.pbe-mt.UPF | GGA | PBE | N | TM | N | N | none | QE |
168 | O.pbe-rrkjus.UPF | GGA | PBE | Y | RRKJ | N | N | none | QE |
169 | O.pbe-van_ak.UPF | GGA | PBE | Y | Van | N | N | none | QE |
170 | O.pbe-van_bm.UPF | GGA | PBE | Y | Van | N | N | none | QE |
171 | O.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
172 | O.pz-mt.UPF | LDA | PZ | N | TM | N | N | none | QE |
173 | O.pz-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | N | none | QE |
174 | O.pz-van_ak.UPF | LDA | PZ | Y | Van | N | N | none | QE |
175 | O.rel-pz-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | Y | none | QE |
176 | O.tpss-mt.UPF | GGA | TPSS | N | TM | N | N | none | QE |
267 | 8o.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
372 | 08-O.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
461 | 08o.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
478 | 8o.6.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
610 | O_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
611 | O_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
802 | o.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
870 | O.psf | LDA | PZ | N | TM | N | N | none | Siesta |
943 | O-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1056 | O.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1057 | O.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1129 | O.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1130 | O.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
26 pseudopotentials found in the Virtual Vault