Element = Mo
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
138 | Mo.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
298 | 42mo.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
407 | 42-Mo.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
532 | 42mo.6.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
533 | 42mo.14.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
680 | Mo_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
681 | Mo_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
901 | Mo.psf | LDA | PZ | N | TM | N | N | none | Siesta |
975 | Mo-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1048 | Mo.rel-pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | sp | QE |
1049 | Mo.rel-pz-spn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | sp | QE |
1122 | Mo.pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | sp | QE |
1123 | Mo.pz-spn-kjpaw.UPF | LDA | PZ | N | PAW | Y | N | sp | QE |
13 pseudopotentials found in the Virtual Vault