Element = Na
ID | Name | XC approx | XC Func | Ultrasoft? | psp class | Nonlinear Corr. | Relativ. | Semicore | Code |
---|---|---|---|---|---|---|---|---|---|
139 | Na.blyp-sp-van_ak.UPF | GGA | BLYP | Y | Van | N | N | sp | QE |
140 | Na.bp-sp-van_ak.UPF | GGA | BP | Y | Van | N | N | sp | QE |
141 | Na.pbe-n-mt_bw.UPF | GGA | PBE | N | TM | Y | N | none | QE |
142 | Na.pbe-n-van_ak.UPF | GGA | PBE | Y | Van | Y | N | none | QE |
143 | Na.pbe-sp-van_ak.UPF | GGA | PBE | Y | Van | N | N | sp | QE |
144 | Na.pw91-n-mt.UPF | GGA | PW91 | N | TM | Y | N | none | QE |
145 | Na.pw91-n-van.UPF | GGA | PW91 | Y | Van | Y | N | none | QE |
146 | Na.pw91-sp-van_ak.UPF | GGA | PW91 | Y | Van | N | N | sp | QE |
147 | Na.pz-n-vbc.UPF | LDA | PZ | N | vBCar | Y | N | none | QE |
148 | Na.pz-sp-van_ak.UPF | LDA | PZ | Y | Van | N | N | sp | QE |
270 | 11na.pspnc | LDA | TP | N | TM | N | N | unknown | Abinit |
375 | 11-Na.GGA.fhi | GGA | PBE | N | TM | N | N | none | Abinit |
463 | 11na.pspgth | LDA | TP | N | GTH | N | N | none | Abinit |
481 | 11na.1.hgh | LDA | TP | N | HGH | N | N | none | Abinit |
482 | 11na.9.hgh | LDA | TP | N | HGH | N | N | sp | Abinit |
616 | Na_HSCV_LDA-1.0.xml | LDA | PZ | N | HSCV | N | N | none | Qbox |
617 | Na_HSCV_PBE-1.0.xml | GGA | PBE | N | HSCV | N | N | none | Qbox |
873 | Na.psf | LDA | PZ | N | TM | N | N | none | Siesta |
946 | Na-gga.psf | GGA | PBE | N | TM | N | N | none | Siesta |
1052 | Na.rel-pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | Y | sp | QE |
1053 | Na.rel-pz-spn-kjpaw.UPF | LDA | PZ | N | PAW | Y | Y | sp | QE |
1126 | Na.pbe-spn-kjpaw.UPF | GGA | PBE | N | PAW | Y | N | sp | QE |
22 pseudopotentials found in the Virtual Vault