Table 5 SSSP efficiency and precision libraries version 1.1 (part II)
From: Precision and efficiency in solid-state pseudopotential calculations
Element (39–85) | SSSP efficiency | SSSP precision | ||||
|---|---|---|---|---|---|---|
Pseudopotential | Cutoff | Dual | Pseudopotential | Cutoff | Dual | |
Y | GBRV-1.2 | 35.0 | 8.0 | GBRV-1.2 | 35.0 | 8.0 |
Zr | GBRV-1.2 | 30.0 | 8.0 | GBRV-1.2 | 30.0 | 8.0 |
Nb | 031PAW | 40.0 | 8.0 | 031PAW | 40.0 | 8.0 |
Mo | SG15 | 35.0 | 4.0 | SG15 | 35.0 | 4.0 |
Tc | SG15 | 30.0 | 4.0 | SG15 | 40.0 | 4.0 |
Ru | SG15 | 35.0 | 4.0 | SG15 | 35.0 | 4.0 |
Rh | SG15 | 35.0 | 4.0 | SG15 | 55.0 | 4.0 |
Pd | SG15 | 45.0 | 4.0 | SG15 | 50.0 | 4.0 |
Ag | SG15 | 50.0 | 4.0 | SG15 | 55.0 | 4.0 |
Cd | 031US | 60.0 | 8.0 | 031US | 90.0 | 8.0 |
In | 031US | 50.0 | 8.0 | 031US | 50.0 | 8.0 |
Sn | GBRV-1.2 | 60.0 | 8.0 | GBRV-1.2 | 70.0 | 8.0 |
Sb | GBRV-1.4 | 40.0 | 8.0 | GBRV-1.4 | 55.0 | 8.0 |
Te | GBRV-1.2 | 30.0 | 8.0 | GBRV-1.2 | 30.0 | 8.0 |
I | 031PAW | 35.0 | 8.0 | 031PAW | 45.0 | 8.0 |
Xe | SG15-1.1 | 60.0 | 4.0 | SG15-1.1 | 80.0 | 4.0 |
Cs | GBRV-1.2 | 30.0 | 8.0 | GBRV-1.2 | 30.0 | 8.0 |
Ba | 100PAW | 30.0 | 8.0 | 100PAW | 35.0 | 8.0 |
La | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Ce | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 50.0 | 8.0 |
Pr | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Nd | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Pm | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Sm | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Eu | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Gd | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Tb | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Dy | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Ho | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Er | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Tm | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Yb | Wentzcovitch | 40.0 | 8.0 | Wentzcovitch | 40.0 | 8.0 |
Lu | Wentzcovitch | 45.0 | 8.0 | Wentzcovitch | 45.0 | 8.0 |
Hf | Dojo | 50.0 | 4.0 | Dojo | 55.0 | 4.0 |
Ta | GBRV-1.2 | 45.0 | 8.0 | GBRV-1.2 | 50.0 | 8.0 |
W | GBRV-1.2 | 30.0 | 8.0 | GBRV-1.2 | 50.0 | 8.0 |
Re | GBRV-1.2 | 30.0 | 8.0 | GBRV-1.2 | 30.0 | 8.0 |
Os | GBRV-1.2 | 40.0 | 8.0 | GBRV-1.2 | 40.0 | 8.0 |
Ir | GBRV-1.2 | 55.0 | 8.0 | GBRV-1.2 | 65.0 | 8.0 |
Pt | GBRV-1.4 | 35.0 | 8.0 | 100US | 100.0 | 8.0 |
Au | SG15 | 45.0 | 4.0 | SG15 | 50.0 | 4.0 |
Hg | SG15 | 50.0 | 4.0 | SG15 | 55.0 | 4.0 |
Tl | GBRV-1.2 | 50.0 | 8.0 | GBRV-1.2 | 70.0 | 8.0 |
Pb | 031PAW | 40.0 | 8.0 | 031PAW | 45.0 | 8.0 |
Bi | GBRV-1.2 | 45.0 | 8.0 | GBRV-1.2 | 50.0 | 8.0 |
Po | 100US | 75.0 | 8.0 | 100US | 80.0 | 8.0 |
Rn | 100PAW | 120.0 | 8.0 | 100PAW | 200.0 | 8.0 |
