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add exchange correlation path in the example data
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pranabdas committed Sep 8, 2023
1 parent 4f57789 commit a74617e
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion example/methods_directory/physical/psp.json
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,8 @@
"type": "paw",
"exchangeCorrelation": {
"approximation": "gga",
"functional": "pbe"
"functional": "pbe",
"path": "/pb/qm/dft/ksdft/gga?functional=pbe"
},
"filename": "POTCAR",
"schemaVersion": "0.2.0",
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