Title: | Au111 |
Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/23011 |
Program: | vasp 5.4.4 |
Author: | Chuong Nguyën, Huu |
Formula: | Au4 |
Calculation type: | Single point |
Functional: | N/A |
Shell type: | Open shell (ISPIN 2) |
Temperature: | 0.0 K |
Pressure: | N/A N/A |
SIGMA: | 0.10 |
ISMEAR: | 0 |
LDIPOL: | T |
IDIPOL: | 3 |
NELECT: | 44.0000 |
ENCUT: | 400.00 |
EDIFF: | 0.1E-03 |
POTIM: | 0.5000 |
Scheme - Monkhorst
6 | 6 | 1 |