Table 3. A description of the CSV format used to store calculated properties.
| Index | Contents |
|---|---|
| 1 | Functional/Basis set description |
| 2 | HOMO |
| 3 | LUMO |
| 4 | Gap |
| 5 | Scharber PCE |
| 6 | Scharber VOC |
| 7 | Scharber JSC |
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