Title: | /Model_System/Models Model2 |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/198383 |
Program: | vasp 5.4.4 |
Author: | Vidal López, Anna |
Formula: | C9CuMo18O2 |
Calculation type: | Geometry optimization |
Functional: | N/A |
Shell type: | Closed shell (ISPIN 1) |
Temperature: | 0.0 K |
Pressure: | N/A N/A |
SIGMA: | 0.05 |
ISMEAR: | 0 |
LDIPOL: | T |
IDIPOL: | 3 |
NELECT: | 167.0000 |
ENCUT: | 500.00 |
EDIFF: | 0.1E-04 |
EDIFFG: | 0.1E-03 |
POTIM: | 0.5000 |