pymatgen
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| How to write structure to POSCAR file after replace by another atom? |
|
1 | 45 | June 14, 2021 |
| E Above Hull Calculation Error for Supercell |
|
0 | 32 | June 9, 2021 |
| Slit pores on pymatgen |
|
1 | 37 | June 7, 2021 |
| Pymatgen complaining about missing deprecated POTCAR files |
|
1 | 42 | June 4, 2021 |
| ICSD_ID tag not working |
|
3 | 37 | June 2, 2021 |
| Some questions about the pymatgen library |
|
0 | 45 | May 24, 2021 |
| Sorting atoms in pymatgen.core.structure.Structure in ascending z direction and setting MAGMOM for Magnetism |
|
5 | 76 | June 1, 2021 |
| Finding energy above hull for unstable (unprocessed) Pourbaix entries |
|
1 | 40 | May 26, 2021 |
| Unable to generate slabs for TiO2 |
|
1 | 43 | May 26, 2021 |
| MPCompatible calculation of Magnesium shows discrepancy in energy |
|
5 | 69 | May 25, 2021 |
| Cif file not found while parsing |
|
2 | 41 | May 25, 2021 |
| Returning compositions/Formulas from pymatgen structures |
|
2 | 41 | May 19, 2021 |
| Pourbaix Diagram in the OER process |
|
6 | 88 | May 18, 2021 |
| Alternative to get_cell() ase method for pymatgen |
|
1 | 40 | May 9, 2021 |