Element = Ca
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
39 | Ca.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
40 | Ca.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
41 | Ca.pz-n-vbc.UPF | LDA | PZ | N | vBCar | Y | N | none | QE |
278 | 20ca.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
384 | 20-Ca.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
493 | 20ca.2.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
494 | 20ca.10.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
636 | Ca_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
637 | Ca_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
786 | ca.optlda1.fhi | LDA | PZ | N | BR | N | N | none | Abinit |
807 | ca.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
808 | ca.optgga2.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
882 | Ca.psf | LDA | PZ | N | TM | N | N | none | Siesta |
955 | Ca-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
14 pseudopotentials found in the Virtual Vault