neb
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| ValueError: One or more NEB images share the same calculator. DFTB calculator |
|
5 | 867 | July 14, 2025 |
| Issue with replica generation with syle 'final' in NEB |
|
9 | 1344 | April 12, 2025 |
| Question about output file Settings when searching NEB transition state using TAD method |
|
2 | 80 | July 16, 2024 |
| Constraining NEB Calculations to only one Degree of Freedom |
|
2 | 248 | March 7, 2024 |
| NEB in ASE with parallel images |
|
0 | 366 | February 15, 2024 |
| Running NEB calculations through library interface in Fortran |
|
5 | 348 | May 4, 2023 |
| Problem with NEB calcualtion |
|
1 | 458 | January 24, 2023 |
| Running NEB for activation energy calculation in a CuAl alloy system |
|
4 | 697 | January 8, 2023 |
| Restarting NEB calculations from last positions |
|
0 | 405 | December 13, 2022 |
| Problem while running NEB, neb style 'each' |
|
10 | 1053 | November 28, 2022 |
| Reverse energy barrier (EBR) is zero for my NEB |
|
1 | 370 | November 17, 2022 |
| Exception: no dump file specified |
|
2 | 386 | November 10, 2022 |