neb
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Problem with NEB calcualtion |
|
1 | 57 | January 24, 2023 |
| ValueError: One or more NEB images share the same calculator. DFTB calculator |
|
0 | 30 | January 16, 2023 |
| Running NEB for activation energy calculation in a CuAl alloy system |
|
4 | 120 | January 8, 2023 |
| Restarting NEB calculations from last positions |
|
0 | 43 | December 13, 2022 |
| Problem while running NEB, neb style 'each' |
|
10 | 110 | November 28, 2022 |
| Reverse energy barrier (EBR) is zero for my NEB |
|
1 | 52 | November 17, 2022 |
| Exception: no dump file specified |
|
2 | 74 | November 10, 2022 |
| Issue with replica generation with syle 'final' in NEB |
|
8 | 156 | November 8, 2022 |