neb
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Constraining NEB Calculations to only one Degree of Freedom |
|
2 | 103 | March 7, 2024 |
| ValueError: One or more NEB images share the same calculator. DFTB calculator |
|
2 | 463 | February 15, 2024 |
| NEB in ASE with parallel images |
|
0 | 77 | February 15, 2024 |
| Running NEB calculations through library interface in Fortran |
|
5 | 257 | May 4, 2023 |
| Problem with NEB calcualtion |
|
1 | 323 | January 24, 2023 |
| Running NEB for activation energy calculation in a CuAl alloy system |
|
4 | 503 | January 8, 2023 |
| Restarting NEB calculations from last positions |
|
0 | 320 | December 13, 2022 |
| Problem while running NEB, neb style 'each' |
|
10 | 650 | November 28, 2022 |
| Reverse energy barrier (EBR) is zero for my NEB |
|
1 | 282 | November 17, 2022 |
| Exception: no dump file specified |
|
2 | 304 | November 10, 2022 |
| Issue with replica generation with syle 'final' in NEB |
|
8 | 766 | November 8, 2022 |