Element = Be
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
33 | Be.pz-n-vbc.UPF | LDA | PZ | N | vBCar | Y | N | none | QE |
34 | Be.star1s-pz-n-vbc.UPF | LDA | PZ | N | vBCar | Y | N | none | QE |
263 | 4be.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
368 | 04-Be.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
457 | 04be.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
473 | 4be.2.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
474 | 4be.4.hgh | LDA | TP | N | HGH | N | N | s | Abinit |
601 | Be_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
602 | Be_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
866 | Be.psf | LDA | PZ | N | TM | N | N | none | Siesta |
939 | Be-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1012 | Be.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1013 | Be.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1092 | Be.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1093 | Be.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
15 pseudopotentials found in the Virtual Vault