Element = Si
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
216 | Si.pbe-n-van.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
217 | Si.pbe-rrkj.UPF | GGA | PBE | N | RRKJ | N | N | none | QE |
218 | Si.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
219 | Si.pz-vbc.UPF | LDA | PZ | N | vBCar | N | N | none | QE |
220 | Si.tpss-mt.UPF | GGA | TPSS | N | TM | N | N | none | QE |
273 | 14si.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
378 | 14-Si.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
380 | 16-Si.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
466 | 14si.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
486 | 14si.4.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
623 | Si_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
624 | Si_VBC_LDA-1.0.xml | LDA | PZ | N | vBCar | N | N | none | Qbox |
625 | Si_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
876 | Si.psf | LDA | PZ | N | TM | N | N | none | Siesta |
949 | Si-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1072 | Si.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1145 | Si.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1146 | Si.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
18 pseudopotentials found in the Virtual Vault