Element = Al
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
3 | Al.blyp-n-van_ak.UPF | GGA | BLYP | Y | Van | Y | N | none | QE |
4 | Al.bp-n-van_ak.UPF | GGA | BP | Y | Van | Y | N | none | QE |
5 | Al.pbe-n-van.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
6 | Al.pbe-rrkj.UPF | GGA | PBE | N | RRKJ | N | N | none | QE |
7 | Al.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
8 | Al.pz-vbc.UPF | LDA | PZ | N | vBCar | N | N | none | QE |
9 | Al.pz-rrkj.UPF | LDA | PZ | N | RRKJ | N | N | none | QE |
272 | 13al.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
377 | 13-Al.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
465 | 13al.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
485 | 13al.3.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
620 | Al_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
621 | Al_VBC_LDA-1.0.xml | LDA | PZ | N | vBCar | N | N | none | Qbox |
622 | Al_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
805 | al.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
875 | Al.psf | LDA | PZ | N | TM | N | N | none | Siesta |
948 | Al-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1082 | Al.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1083 | Al.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
19 pseudopotentials found in the Virtual Vault