From caf356a1c705ee99fb273fc7b17b3df627ea3cfc Mon Sep 17 00:00:00 2001
From: Pranab Das <31024886+pranabdas@users.noreply.github.com>
Date: Sun, 19 Nov 2023 09:40:08 +0800
Subject: [PATCH] SOF-6896: add example/test schema for pseudopotential file

---
 .../methods_directory/physical/psp/file.json  | 45 +++++++++++++++++++
 1 file changed, 45 insertions(+)
 create mode 100644 example/methods_directory/physical/psp/file.json

diff --git a/example/methods_directory/physical/psp/file.json b/example/methods_directory/physical/psp/file.json
new file mode 100644
index 000000000..8b21d5094
--- /dev/null
+++ b/example/methods_directory/physical/psp/file.json
@@ -0,0 +1,45 @@
+{
+    "slug": "pseudopotential",
+    "data": {
+        "element": "Ru",
+        "hash": "3349af97451e04faae570056fb6a110b",
+        "filename": "ru_pbe_dojo-oncv_0.4.upf",
+        "path": "/export/share/pseudo/ru/gga/pbe/dojo-oncv/0.4/nc/ru_pbe_dojo-oncv_0.4.upf",
+        "valenceConfiguration": [
+            {
+                "orbitalName": "4S",
+                "orbitalIndex": 1,
+                "principalNumber": 4,
+                "angularMomentum": 0,
+                "occupation": 2.0
+            },
+            {
+                "orbitalName": "4P",
+                "orbitalIndex": 2,
+                "principalNumber": 4,
+                "angularMomentum": 1,
+                "occupation": 6.0
+            },
+            {
+                "orbitalName": "4D",
+                "orbitalIndex": 3,
+                "principalNumber": 4,
+                "angularMomentum": 2,
+                "occupation": 7.0
+            },
+            {
+                "orbitalName": "5S",
+                "orbitalIndex": 4,
+                "principalNumber": 5,
+                "angularMomentum": 0,
+                "occupation": 1.0
+            }
+        ],
+        "apps": ["espresso"],
+        "exchangeCorrelation": { "functional": "pbe", "approximation": "gga" },
+        "name": "pseudopotential",
+        "source": "dojo-oncv",
+        "type": "nc",
+        "version": "0.4"
+    }
+}