| AlAs_216_DFT_SCAN |
AlAs |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in AlAs. |
| AlN_300_DFT_SCAN |
AlN |
300 |
LCAO |
|
Generally applicable high-precision parameters for defects in AlN. |
| Aluminum_256_DFT_SCAN |
Al |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Aluminium. |
| Cobalt_256_DFT_SCAN |
Co |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Cobalt. |
| Copper_256_DFT_SCAN |
Cu |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Copper. |
| GaAs_216_DFT_SCAN |
GaAs |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in GaAs. |
| GaN_300_DFT_SCAN |
GaN |
300 |
LCAO |
|
Generally applicable high-precision parameters for defects in GaN. |
| Germanium_216_DFT_SCAN |
Ge |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in Germanium. |
| Gold_256_DFT_SCAN |
Au |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Gold. |
| HfO2_324_DFT_SCAN |
HfO2 |
324 |
LCAO |
|
Generally applicable high-precision parameters for defects in Hfo2. |
| InAs_216_DFT_SCAN |
InAs |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in InAs. |
| InP_216_DFT_SCAN |
InP |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in InP. |
| Iridium_256_DFT_SCAN |
Ir |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Iridium. |
| Iron_250_DFT_SCAN |
Fe |
250 |
LCAO |
|
Generally applicable high-precision parameters for defects in Iron. |
| MgO_216_DFT_SCAN |
MgO |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in MgO. |
| Palladium_256_DFT_SCAN |
Pd |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Palladium. |
| Platinum_256_DFT_SCAN |
Pt |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in Platinum. |
| Ruthenium_288_DFT_SCAN |
Ru |
288 |
LCAO |
|
Generally applicable high-precision parameters for defects in Ruthenium. |
| SiC_2H_300_DFT_SCAN |
SiC |
300 |
LCAO |
|
Generally applicable high-precision parameters for defects in SiC_2H. |
| SiC_4H_256_DFT_SCAN |
SiC |
256 |
LCAO |
|
Generally applicable high-precision parameters for defects in SiC_4H. |
| SiC_6H_384_DFT_SCAN |
SiC |
300 |
LCAO |
|
Generally applicable high-precision parameters for defects in SiC_6H. |
| SiO2_243_DFT_SCAN |
SiO2 |
243 |
LCAO |
|
Generally applicable high-precision parameters for defects in SiO2. |
| Silicon_216_DFT_SCAN |
Si |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in Silicon. |
| TaN_270_DFT_SCAN |
TaN |
270 |
LCAO |
|
Generally applicable high-precision parameters for defects in TaN. |
| Tantalum_250_DFT_SCAN |
Ta |
250 |
LCAO |
|
Generally applicable high-precision parameters for defects in Tantalum. |
| TiN_216_DFT_SCAN |
TiN |
216 |
LCAO |
|
Generally applicable high-precision parameters for defects in TiN. |
| Titanium_200_DFT_SCAN |
Ti |
200 |
LCAO |
|
Generally applicable high-precision parameters for defects in Titanium. |
| Tungsten_250_DFT_SCAN |
W |
250 |
LCAO |
|
Generally applicable high-precision parameters for defects in Tungsten. |
| ZrO2_324_DFT_SCAN |
ZrO2 |
324 |
LCAO |
|
Generally applicable high-precision parameters for defects in ZrO2. |
| Alumina |
Al2O3 |
240 |
TremoloX |
✓ |
|
| Hafnia |
HfO2 |
96 |
TremoloX |
✓ |
|
| Silica |
SiO2 |
72 |
TremoloX |
✓ |
|
| Silicon |
Si |
16 |
TremoloX |
✓ |
|
| Tungsten |
W |
8 |
TremoloX |
✓ |
|