Element = Sc
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
212 | Sc.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
213 | Sc.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
279 | 21sc.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
385 | 21-Sc.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
495 | 21sc.3.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
496 | 21sc.11.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
638 | Sc_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
639 | Sc_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
787 | sc.optlda1.fhi | LDA | PZ | N | BR | N | N | none | Abinit |
809 | sc.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
883 | Sc.psf | LDA | PZ | N | TM | N | N | none | Siesta |
956 | Sc-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
12 pseudopotentials found in the Virtual Vault