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Update input_defect.json
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wines1 authored Jan 15, 2025
1 parent f9e0c87 commit 67105fb
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8 changes: 8 additions & 0 deletions chipsff/input_defect.json
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,14 @@
"calculate_ev_curve",
"analyze_defects"
],
"bulk_relaxation_settings": {
"filter_type": "ExpCellFilter",
"relaxation_settings": {
"fmax": 0.05,
"steps": 200,
"constant_volume": false
}
},
"defect_settings": {
"generate_settings": {
"on_conventional_cell": true,
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