Element = S
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
207 | S.blyp-mt.UPF | GGA | BLYP | N | TM | N | N | none | QE |
208 | S.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
209 | S.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
223 | S.pbe-van_bm.UPF | GGA | PBE | Y | Van | N | N | none | QE |
224 | S.pw91-n-mt.UPF | GGA | PW91 | N | TM | Y | N | none | QE |
225 | S.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
226 | S.pz-bhs.UPF | LDA | PZ | N | BHS | N | N | none | QE |
227 | S.pz-van_ak.UPF | LDA | PZ | Y | Van | N | N | none | QE |
275 | 16s.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
468 | 16s.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
488 | 16s.6.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
628 | S_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
629 | S_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
878 | S.psf | LDA | PZ | N | TM | N | N | none | Siesta |
951 | S-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1068 | S.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1069 | S.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1141 | S.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1142 | S.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
19 pseudopotentials found in the Virtual Vault