Element = Ta
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
231 | Ta.pbe-nsp-van.UPF | GGA | PBE | Y | Van | Y | N | sp | QE |
232 | Ta.pw91-nsp-van.UPF | GGA | PW91 | Y | Van | Y | N | sp | QE |
328 | 73ta.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
433 | 73-Ta.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
573 | 73ta.5.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
574 | 73ta.13.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
714 | Ta_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
715 | Ta_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
848 | ta.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
916 | Ta.psf | LDA | PZ | N | TM | N | N | none | Siesta |
988 | Ta-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1075 | Ta.rel-pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | sp | QE |
1076 | Ta.rel-pz-spn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | sp | QE |
1149 | Ta.pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | sp | QE |
1150 | Ta.pz-spn-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | sp | QE |
15 pseudopotentials found in the Virtual Vault