Title: | (2,3,3)_3 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/311829 |
Program: | vasp 6.3.0 |
Author: | Mates Torres, Eric |
Formula: | Mg60O120Si30 |
Calculation type: | N/A |
Functional: | PBE |
Shell type: | Closed shell (ISPIN 1) |
Temperature: | 0.0 K |
Pressure: | N/A N/A |
SIGMA: | 0.05 |
ISMEAR: | 0 |
LDIPOL: | F |
IDIPOL: | 0 |
NELECT: | 1320.0000 |
EDIFF: | |
EDIFFG: | |
POTIM: | 0.0300 |
Scheme - Gamma
1 | 1 | 1 |
0 | 0 | 0 |