Title: | MoS2_1x1_ML |
Browse item: | https://iochem-bd.bsc.es:443/browse/handle/100/193048 |
Program: | vasp 5.4.4 |
Author: | Ben-Melech Stan, Gabriela |
Formula: | MoS2 |
Calculation type: | Single point |
Functional: | N/A |
Shell type: | Open shell (ISPIN 2) |
Temperature: | 0.0 K |
Pressure: | N/A N/A |
SIGMA: | 0.00 |
ISMEAR: | -5 |
LDIPOL: | F |
IDIPOL: | 0 |
NELECT: | 24.0000 |
ENCUT: | 600.00 |
EDIFF: | 0.1E-04 |
POTIM: | 0.2500 |
Scheme - Gamma
12 | 12 | 1 |
0.0 | 0.0 | 0.0 |