atomate
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Handling Magnetic Moments in Phonon Calculations Workflow |
|
1 | 79 | June 27, 2024 |
| Passing structure object from Firework to atomate2 flow |
|
0 | 224 | October 25, 2023 |
| Querying Elasticity Data by Firework ID |
|
2 | 278 | August 2, 2023 |
| Discussion: Workflow and data provenance for atomistic simulations |
|
5 | 802 | October 25, 2022 |
| POTCAR setup issues |
|
1 | 669 | August 23, 2022 |
| Unknown Potcar Warning |
|
6 | 829 | January 4, 2022 |
| How do you guys pick the VASP settings for your dielectric calcs? |
|
0 | 635 | August 29, 2021 |