Element = Ba
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
31 | Ba.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
32 | Ba.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
311 | 56ba.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
422 | 56-Ba.GGA-fhi | GGA | PBE | N | TM | N | N | none | Abinit |
555 | 56ba.2.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
556 | 56ba.10.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
708 | Ba_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
709 | Ba_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
793 | ba.optlda1.fhi | LDA | PZ | N | BR | N | N | none | Abinit |
845 | ba.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
10 pseudopotentials found in the Virtual Vault