Element = B
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
23 | B.blyp-n-van_ak.UPF | GGA | BLYP | Y | Van | Y | N | none | QE |
24 | B.bp-n-van_ak.UPF | GGA | BP | Y | Van | Y | N | none | QE |
25 | B.pbe-n-van.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
26 | B.pbe-n-van_ak.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
27 | B.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
28 | B.pw91-n-van_ak.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
29 | B.pz-bhs.UPF | LDA | PZ | N | BHS | N | N | none | QE |
30 | B.pz-vbc.UPF | LDA | PZ | N | vBCar | N | N | none | QE |
264 | 5b.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
369 | 05-B.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
458 | 05b.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
475 | 5b.3.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
603 | B_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
604 | B_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
867 | B.psf | LDA | PZ | N | TM | N | N | none | Siesta |
940 | B-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1010 | B.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1011 | B.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1090 | B.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1091 | B.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
20 pseudopotentials found in the Virtual Vault