Element = Ti
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
235 | Ti.blyp-sp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | sp | QE |
236 | Ti.bp-sp-van_ak.UPF | GGA | BP | Y | Van | N | N | sp | QE |
237 | Ti.pbe-sp-van_ak.UPF | GGA | PBE | Y | Van | N | N | sp | QE |
238 | Ti.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
239 | Ti.pw91-sp-van_ak.UPF | GGA | PW91 | Y | Van | N | N | sp | QE |
240 | Ti.pz-sp-van_ak.UPF | LDA | PZ | Y | Van | N | N | sp | QE |
241 | Ti.pz-sp-van.UPF | LDA | PZ | Y | Van | N | N | sp | QE |
280 | 22ti.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
386 | 22-Ti.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
497 | 22ti.4.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
498 | 22ti.12.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
640 | Ti_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
641 | Ti_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
810 | ti.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
811 | ti.optgga2.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
884 | Ti.psf | LDA | PZ | N | TM | N | N | none | Siesta |
957 | Ti-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
17 pseudopotentials found in the Virtual Vault