GENERAL INFO
| Title: | ag_constant_potential_o_1_0_994_bader |
| Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/483908 |
| Program: | vasp 6.2.0 |
| Author: | Brennan-Pollak, Conor |
| Formula: | Ag16O |
| Calculation type: | Single point |
| Functional: | N/A |
| Shell type: | Open shell (ISPIN 2) |
| Temperature: | 0.0 K |
| Pressure: | N/A N/A |
SETTINGS
| SIGMA: | 0.20 |
| ISMEAR: | 1 |
| LDIPOL: | F |
| IDIPOL: | 0 |
| NELECT: | 180.9080 |
| ENCUT: | 500.00 |
| EDIFF: | 0.1E-05 |
| POTIM: | 0.1000 |
