Element = Cu
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
66 | Cu.blyp-n-van_ak.UPF | GGA | BLYP | Y | Van | Y | N | none | QE |
67 | Cu.pbe-d-rrkjus.UPF | GGA | PBE | Y | RRKJ | N | N | d | QE |
68 | Cu.pbe-n-van_ak.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
69 | Cu.pw91-n-van_ak.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
70 | Cu.pz-d-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | N | d | QE |
71 | Cu.pz-n-van_ak.UPF | LDA | PZ | Y | Van | Y | N | none | QE |
286 | 29cu.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
393 | 29-Cu.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
511 | 29cu.1.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
512 | 29cu.11.hgh | LDA | TP | N | HGH | N | N | d | Abinit |
654 | Cu_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
655 | Cu_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
820 | cu.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
821 | cu.optgga2.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
822 | cu.optgga3.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
891 | Cu.psf | LDA | PZ | N | TM | N | N | none | Siesta |
964 | Cu-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1024 | Cu.rel-pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | d | QE |
1025 | Cu.rel-pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | d | QE |
1100 | Cu.pbe-dn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | d | QE |
1101 | Cu.pz-dn-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | d | QE |
21 pseudopotentials found in the Virtual Vault