Element = C
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
42 | C.blyp-mt.UPF | GGA | BLYP | N | TM | N | N | none | QE |
43 | C.blyp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | none | QE |
44 | C.bp-van_ak.UPF | GGA | BP | Y | Van | N | N | none | QE |
45 | C.pbe-rrkjus.UPF | GGA | PBE | Y | RRKJ | N | N | none | QE |
46 | C.pbe-van_ak.UPF | GGA | PBE | Y | Van | N | N | none | QE |
47 | C.pbe-van_bm.UPF | GGA | PBE | Y | Van | N | N | none | QE |
48 | C.pw91-van_ak.UPF | GGA | PW91 | Y | Van | N | N | none | QE |
49 | C.pz-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | N | none | QE |
50 | C.pz-van_ak.UPF | LDA | PZ | Y | Van | N | N | none | QE |
51 | C.pz-vbc.UPF | LDA | PZ | N | vBCar | N | N | none | QE |
52 | C.rel-pz-rrkjus.UPF | LDA | PZ | Y | RRKJ | N | Y | none | QE |
64 | C.tpss-mt.UPF | GGA | TPSS | N | TM | N | N | none | QE |
265 | 6c.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
370 | 06-C.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
459 | 06c.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
476 | 6c.4.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
605 | C_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
606 | C_VBC_LDA-1.0.xml | LDA | PZ | N | vBCar | N | N | none | Qbox |
607 | C_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
800 | c.optgga1.fhi | GGA | PBE | N | BR | N | N | none | Abinit |
868 | C.psf | LDA | PZ | N | TM | N | N | none | Siesta |
941 | C-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1018 | C.rel-pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | none | QE |
1019 | C.rel-pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | none | QE |
1094 | C.pbe-n-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | none | QE |
1095 | C.pz-n-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | none | QE |
26 pseudopotentials found in the Virtual Vault