GENERAL INFO
| Title: | /bulk/scf scf |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/99657 |
| Program: | vasp 6.3.0 |
| Author: | Benzidi, Hind |
| Formula: | C32H44F4I8N4Sn2 |
| Calculation type: | Single point |
| Functional: | HSE06 AEXX=25% |
| Shell type: | Closed shell (ISPIN 1) |
| Temperature: | 0.0 K |
| Pressure: | N/A N/A |
SETTINGS
| SIGMA: | 0.04 |
| ISMEAR: | 0 |
| LDIPOL: | F |
| IDIPOL: | 0 |
| NELECT: | 304.0000 |
| EDIFF: | |
| POTIM: | 0.5000 |
