Include PAW basis sets by Huang et al.

basis_set_exchange/data/METADATA.json

@@ -34308,6 +34308,206 @@
       }
     }
   },
+  "paw-l05": {
+    "display_name": "PAW-L05",
+    "other_names": [],
+    "description": "PAW-L05 basis set for use with PAW method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "paw-l05",
+    "relpath": "",
+    "family": "paw",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "paw-l05.1.table.json",
+        "revdesc": "Data from supporting information",
+        "revdate": "2024-02-20",
+        "elements": [
+          "1",
+          "3",
+          "4",
+          "5",
+          "6",
+          "7",
+          "8",
+          "9",
+          "11",
+          "12",
+          "13",
+          "14",
+          "15",
+          "16",
+          "17"
+        ]
+      }
+    }
+  },
+  "paw-l1": {
+    "display_name": "PAW-L1",
+    "other_names": [],
+    "description": "PAW-L1 basis set for use with PAW method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "paw-l1",
+    "relpath": "",
+    "family": "paw",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "paw-l1.1.table.json",
+        "revdesc": "Data from supporting information",
+        "revdate": "2024-02-20",
+        "elements": [
+          "1",
+          "3",
+          "4",
+          "5",
+          "6",
+          "7",
+          "8",
+          "9",
+          "11",
+          "12",
+          "13",
+          "14",
+          "15",
+          "16",
+          "17"
+        ]
+      }
+    }
+  },
+  "paw-l1-contracted": {
+    "display_name": "PAW-L1-contracted",
+    "other_names": [],
+    "description": "PAW-L1-contracted basis set for use with PAW method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "paw-l1-contracted",
+    "relpath": "",
+    "family": "paw",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "paw-l1-contracted.1.table.json",
+        "revdesc": "Data from supporting information",
+        "revdate": "2024-02-20",
+        "elements": [
+          "1",
+          "3",
+          "4",
+          "5",
+          "6",
+          "7",
+          "8",
+          "9",
+          "11",
+          "12",
+          "13",
+          "14",
+          "15",
+          "16",
+          "17"
+        ]
+      }
+    }
+  },
+  "paw-l2": {
+    "display_name": "PAW-L2",
+    "other_names": [],
+    "description": "PAW-L2 basis set for use with PAW method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "paw-l2",
+    "relpath": "",
+    "family": "paw",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "paw-l2.1.table.json",
+        "revdesc": "Data from supporting information",
+        "revdate": "2024-02-20",
+        "elements": [
+          "1",
+          "3",
+          "4",
+          "5",
+          "6",
+          "7",
+          "8",
+          "9",
+          "11",
+          "12",
+          "13",
+          "14",
+          "15",
+          "16",
+          "17"
+        ]
+      }
+    }
+  },
+  "paw-l2-contracted": {
+    "display_name": "PAW-L2-contracted",
+    "other_names": [],
+    "description": "PAW-L2-contracted basis set for use with PAW method",
+    "latest_version": "1",
+    "tags": [],
+    "basename": "paw-l2-contracted",
+    "relpath": "",
+    "family": "paw",
+    "role": "orbital",
+    "function_types": [
+      "gto",
+      "gto_spherical"
+    ],
+    "auxiliaries": {},
+    "versions": {
+      "1": {
+        "file_relpath": "paw-l2-contracted.1.table.json",
+        "revdesc": "Data from supporting information",
+        "revdate": "2024-02-20",
+        "elements": [
+          "1",
+          "3",
+          "4",
+          "5",
+          "6",
+          "7",
+          "8",
+          "9",
+          "11",
+          "12",
+          "13",
+          "14",
+          "15",
+          "16",
+          "17"
+        ]
+      }
+    }
+  },
   "pb4-d": {
     "display_name": "PB4-D",
     "other_names": [],

basis_set_exchange/data/REFERENCES.json

@@ -4094,6 +4094,21 @@
     "title": "unpublished",
     "note": "As referenced in the original Basis Set Exchange"
   },
+  "phung2020a": {
+    "_entry_type": "article",
+    "authors": [
+      "Phung, Quan Manh",
+      "Hagai, Masaya",
+      "Xiong, Xiao-Gen",
+      "Yanai, Takeshi"
+    ],
+    "title": "Polarization consistent basis sets using the projector augmented wave method: a renovation brought by PAW into Gaussian basis sets",
+    "journal": "Phys. Chem. Chem. Phys.",
+    "volume": "22",
+    "pages": "27037-27052",
+    "year": "2020",
+    "doi": "10.1039/D0CP05229A"
+  },
   "pietro1980a": {
     "_entry_type": "article",
     "authors": [

basis_set_exchange/data/paw-l05.1.table.json

@@ -0,0 +1,25 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "table",
+    "schema_version": "0.1"
+  },
+  "revision_description": "Data from supporting information",
+  "revision_date": "2024-02-20",
+  "elements": {
+    "1": "paw/paw-l05.1.element.json",
+    "3": "paw/paw-l05.1.element.json",
+    "4": "paw/paw-l05.1.element.json",
+    "5": "paw/paw-l05.1.element.json",
+    "6": "paw/paw-l05.1.element.json",
+    "7": "paw/paw-l05.1.element.json",
+    "8": "paw/paw-l05.1.element.json",
+    "9": "paw/paw-l05.1.element.json",
+    "11": "paw/paw-l05.1.element.json",
+    "12": "paw/paw-l05.1.element.json",
+    "13": "paw/paw-l05.1.element.json",
+    "14": "paw/paw-l05.1.element.json",
+    "15": "paw/paw-l05.1.element.json",
+    "16": "paw/paw-l05.1.element.json",
+    "17": "paw/paw-l05.1.element.json"
+  }
+}

basis_set_exchange/data/paw-l05.metadata.json

@@ -0,0 +1,14 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "metadata",
+    "schema_version": "0.1"
+  },
+  "names": [
+    "PAW-L05"
+  ],
+  "tags": [],
+  "family": "paw",
+  "description": "PAW-L05 basis set for use with PAW method",
+  "role": "orbital",
+  "auxiliaries": {}
+}

basis_set_exchange/data/paw-l1-contracted.1.table.json

@@ -0,0 +1,25 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "table",
+    "schema_version": "0.1"
+  },
+  "revision_description": "Data from supporting information",
+  "revision_date": "2024-02-20",
+  "elements": {
+    "1": "paw/paw-l1-contracted.1.element.json",
+    "3": "paw/paw-l1-contracted.1.element.json",
+    "4": "paw/paw-l1-contracted.1.element.json",
+    "5": "paw/paw-l1-contracted.1.element.json",
+    "6": "paw/paw-l1-contracted.1.element.json",
+    "7": "paw/paw-l1-contracted.1.element.json",
+    "8": "paw/paw-l1-contracted.1.element.json",
+    "9": "paw/paw-l1-contracted.1.element.json",
+    "11": "paw/paw-l1-contracted.1.element.json",
+    "12": "paw/paw-l1-contracted.1.element.json",
+    "13": "paw/paw-l1-contracted.1.element.json",
+    "14": "paw/paw-l1-contracted.1.element.json",
+    "15": "paw/paw-l1-contracted.1.element.json",
+    "16": "paw/paw-l1-contracted.1.element.json",
+    "17": "paw/paw-l1-contracted.1.element.json"
+  }
+}

basis_set_exchange/data/paw-l1-contracted.metadata.json

@@ -0,0 +1,14 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "metadata",
+    "schema_version": "0.1"
+  },
+  "names": [
+    "PAW-L1-contracted"
+  ],
+  "tags": [],
+  "family": "paw",
+  "description": "PAW-L1-contracted basis set for use with PAW method",
+  "role": "orbital",
+  "auxiliaries": {}
+}

basis_set_exchange/data/paw-l1.1.table.json

@@ -0,0 +1,25 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "table",
+    "schema_version": "0.1"
+  },
+  "revision_description": "Data from supporting information",
+  "revision_date": "2024-02-20",
+  "elements": {
+    "1": "paw/paw-l1.1.element.json",
+    "3": "paw/paw-l1.1.element.json",
+    "4": "paw/paw-l1.1.element.json",
+    "5": "paw/paw-l1.1.element.json",
+    "6": "paw/paw-l1.1.element.json",
+    "7": "paw/paw-l1.1.element.json",
+    "8": "paw/paw-l1.1.element.json",
+    "9": "paw/paw-l1.1.element.json",
+    "11": "paw/paw-l1.1.element.json",
+    "12": "paw/paw-l1.1.element.json",
+    "13": "paw/paw-l1.1.element.json",
+    "14": "paw/paw-l1.1.element.json",
+    "15": "paw/paw-l1.1.element.json",
+    "16": "paw/paw-l1.1.element.json",
+    "17": "paw/paw-l1.1.element.json"
+  }
+}

basis_set_exchange/data/paw-l1.metadata.json

@@ -0,0 +1,14 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "metadata",
+    "schema_version": "0.1"
+  },
+  "names": [
+    "PAW-L1"
+  ],
+  "tags": [],
+  "family": "paw",
+  "description": "PAW-L1 basis set for use with PAW method",
+  "role": "orbital",
+  "auxiliaries": {}
+}

basis_set_exchange/data/paw-l2-contracted.1.table.json

@@ -0,0 +1,25 @@
+{
+  "molssi_bse_schema": {
+    "schema_type": "table",
+    "schema_version": "0.1"
+  },
+  "revision_description": "Data from supporting information",
+  "revision_date": "2024-02-20",
+  "elements": {
+    "1": "paw/paw-l2-contracted.1.element.json",
+    "3": "paw/paw-l2-contracted.1.element.json",
+    "4": "paw/paw-l2-contracted.1.element.json",
+    "5": "paw/paw-l2-contracted.1.element.json",
+    "6": "paw/paw-l2-contracted.1.element.json",
+    "7": "paw/paw-l2-contracted.1.element.json",
+    "8": "paw/paw-l2-contracted.1.element.json",
+    "9": "paw/paw-l2-contracted.1.element.json",
+    "11": "paw/paw-l2-contracted.1.element.json",
+    "12": "paw/paw-l2-contracted.1.element.json",
+    "13": "paw/paw-l2-contracted.1.element.json",
+    "14": "paw/paw-l2-contracted.1.element.json",
+    "15": "paw/paw-l2-contracted.1.element.json",
+    "16": "paw/paw-l2-contracted.1.element.json",
+    "17": "paw/paw-l2-contracted.1.element.json"
+  }
+}