From a74617ee98bb0d01563b6f84b6f37b1ff98faee6 Mon Sep 17 00:00:00 2001 From: Pranab Das <31024886+pranabdas@users.noreply.github.com> Date: Fri, 8 Sep 2023 09:59:45 +0800 Subject: [PATCH] add exchange correlation path in the example data --- example/methods_directory/physical/psp.json | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/example/methods_directory/physical/psp.json b/example/methods_directory/physical/psp.json index 7fba5a400..eedabf2a8 100644 --- a/example/methods_directory/physical/psp.json +++ b/example/methods_directory/physical/psp.json @@ -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",