Element = Zn
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
250 | Zn.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
251 | Zn.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
252 | Zn.pbe-van.UPF | GGA | PBE | Y | Van | N | N | none | QE |
253 | Zn.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
254 | Zn.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
255 | Zn.pz-van_ak.UPF | LDA | PZ | Y | Van | N | N | none | QE |
256 | Zn.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
287 | 30zn.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
394 | 30-Zn.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
513 | 30zn.2.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
514 | 30zn.12.hgh | LDA | TP | N | HGH | N | N | d | Abinit |
656 | Zn_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
657 | Zn_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
823 | zn.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
892 | Zn.psf | LDA | PZ | N | TM | N | N | none | Siesta |
965 | Zn-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1079 | Zn.rel-pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | d | QE |
1153 | Zn.pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | d | QE |
18 pseudopotentials found in the Virtual Vault