GENERAL INFO
| Title: | /CeO2 HF_CeO2 |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/197740 |
| Program: | vasp 6.0.8 |
| Author: | Schäfer, Tobias |
| Formula: | CeO2 |
| Calculation type: | Single point |
| Functional: | PBE0 AEXX=100% |
| Shell type: | Closed shell (ISPIN 1) |
| Temperature: | 0.0 K |
| Pressure: | N/A N/A |
SETTINGS
| SIGMA: | 0.05 |
| ISMEAR: | 0 |
| LDIPOL: | F |
| IDIPOL: | 0 |
| NELECT: | 24.0000 |
| ENCUT: | 730.00 |
| EDIFF: | 0.1E-06 |
| POTIM: | 0.5000 |
MOLECULAR INFO
Kpoint list
Scheme - gamma
| 4 | 4 | 4 |
