GENERAL INFO
| Title: | /Co3O4 Co3O4_Co_diss_dft-u_vacc |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/65442 |
| Program: | vasp 5.3.3 |
| Author: | Benzidi, Hind |
| Formula: | Co43O63 |
| Calculation type: | Single point |
| Functional: | PBEsol+U |
| Shell type: | Closed shell (ISPIN 1) |
| Temperature: | 0.0 K |
| Pressure: | N/A N/A |
SETTINGS
| SIGMA: | 0.20 |
| ISMEAR: | 1 |
| LDIPOL: | F |
| IDIPOL: | 0 |
| NELECT: | 765.0000 |
| ENCUT: | 400.00 |
| EDIFF: | 0.1E-03 |
| POTIM: | 0.5000 |
| LDAUL: | 2 -1 |
| LDAUU: | 2 0 |
| LDAUJ: |
