@mat3ra/esse 2026.3.25-1 → 2026.4.4-0

package/dist/js/types.d.ts

@@ -4727,7 +4727,7 @@ export interface BandGapSchema {
     eigenvalueValence?: number;
     spin?: number;
     type: "direct" | "indirect";
-    units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+    units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     value: number;
 }
 /** Schema dist/js/schema/core/reusable/categories.json */
@@ -4969,7 +4969,7 @@ export interface DielectricTensor {
 /** Schema dist/js/schema/core/reusable/energy.json */
 export interface EnergySchema {
     name: string;
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/core/reusable/energy_accuracy_levels.json */
@@ -5117,7 +5117,7 @@ export interface ElementSchema {
         value: number;
     } | {
         name: "ionization_potential";
-        units: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         value: number;
     })[];
 }
@@ -46895,7 +46895,7 @@ export interface Electronegativity {
 /** Schema dist/js/schema/properties_directory/elemental/ionization_potential.json */
 export interface IonizationPotentialElementalPropertySchema {
     name: "ionization_potential";
-    units: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+    units: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/enum_options.json */
@@ -46913,7 +46913,7 @@ export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object";
  * This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
  * via the `definition` "ScalarPropertyEnum".
  */
-export type ScalarPropertyEnum = "fermi_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
+export type ScalarPropertyEnum = "fermi_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
 /**
  * This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
  * via the `definition` "NonScalarPropertyEnum".
@@ -46969,7 +46969,7 @@ export interface AveragePotentialProfilePropertySchema {
         /**
          * units for an axis
          */
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     };
     name: "average_potential_profile";
     /**
@@ -47009,7 +47009,7 @@ export interface BandGapsPropertySchema {
         eigenvalueValence?: number;
         spin?: number;
         type: "direct" | "indirect";
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         value: number;
     }[];
     eigenvalues?: {
@@ -47048,7 +47048,7 @@ export interface BandStructurePropertySchema {
         /**
          * units for an axis
          */
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     };
     name: "band_structure";
     /**
@@ -47100,7 +47100,7 @@ export interface DensityOfStatesPropertySchema {
         /**
          * units for an axis
          */
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     };
     yAxis: {
         /**
@@ -47392,7 +47392,7 @@ export interface PotentialProfilePropertySchema {
         /**
          * units for an axis
          */
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     };
     name: "potential_profile";
     /**
@@ -47421,7 +47421,7 @@ export interface ReactionEnergyProfilePropertySchema {
         /**
          * units for an axis
          */
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     };
     name: "reaction_energy_profile";
     /**
@@ -47541,7 +47541,7 @@ export interface TotalEnergyContributionsPropertySchema {
         value: number;
     };
     name: "total_energy_contributions";
-    units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+    units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
 }
 /** Schema dist/js/schema/properties_directory/non_scalar/vibrational_spectrum.json */
 export interface VibrationalSpectrumPropertySchema {
@@ -50272,37 +50272,37 @@ export interface HubbardParametersReusableSchema {
 /** Schema dist/js/schema/properties_directory/scalar/electron_affinity.json */
 export interface ElectronAffinityPropertySchema {
     name: "electron_affinity";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/fermi_energy.json */
 export interface FermiEnergyPropertySchema {
     name: "fermi_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/formation_energy.json */
 export interface FormationEnergyPropertySchema {
     name: "formation_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/homo_energy.json */
 export interface HOMOEnergyPropertySchema {
     name: "homo_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/ionization_potential.json */
 export interface IonizationPotentialScalarPropertySchema {
     name: "ionization_potential";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/lumo_energy.json */
 export interface LUMOEnergyPropertySchema {
     name: "lumo_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/pressure.json */
@@ -50317,19 +50317,31 @@ export interface PressurePropertySchema {
 /** Schema dist/js/schema/properties_directory/scalar/reaction_energy_barrier.json */
 export interface ReactionEnergyBarrierPropertySchema {
     name: "reaction_energy_barrier";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/surface_energy.json */
 export interface SurfaceEnergyPropertySchema {
     name: "surface_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    value: number;
+}
+/** Schema dist/js/schema/properties_directory/scalar/thermal_correction_to_energy.json */
+export interface ThermalCorrectionToEnergyPropertySchema {
+    name: "thermal_correction_to_energy";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    value: number;
+}
+/** Schema dist/js/schema/properties_directory/scalar/thermal_correction_to_enthalpy.json */
+export interface ThermalCorrectionToEnthalpyPropertySchema {
+    name: "thermal_correction_to_enthalpy";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/total_energy.json */
 export interface TotalEnergyPropertySchema {
     name: "total_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/total_force.json */
@@ -50341,13 +50353,13 @@ export interface TotalForcesPropertySchema {
 /** Schema dist/js/schema/properties_directory/scalar/valence_band_offset.json */
 export interface ValenceBandOffsetPropertySchema {
     name: "valence_band_offset";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/scalar/zero_point_energy.json */
 export interface ZeroPointEnergyPropertySchema {
     name: "zero_point_energy";
-    units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+    units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
     value: number;
 }
 /** Schema dist/js/schema/properties_directory/structural/atomic_forces.json */
@@ -50972,11 +50984,11 @@ export interface PropertyHolderSchema {
      */
     data: {
         name: "valence_band_offset";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "zero_point_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "pressure";
@@ -50984,15 +50996,23 @@ export interface PropertyHolderSchema {
         value: number;
     } | {
         name: "reaction_energy_barrier";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "surface_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        value: number;
+    } | {
+        name: "thermal_correction_to_energy";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        value: number;
+    } | {
+        name: "thermal_correction_to_enthalpy";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "total_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "total_force";
@@ -51000,19 +51020,19 @@ export interface PropertyHolderSchema {
         value: number;
     } | {
         name: "fermi_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "homo_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "ionization_potential";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         name: "lumo_energy";
-        units: ("kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
+        units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
         value: number;
     } | {
         /**
@@ -51049,7 +51069,7 @@ export interface PropertyHolderSchema {
             eigenvalueValence?: number;
             spin?: number;
             type: "direct" | "indirect";
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
             value: number;
         }[];
         eigenvalues?: {
@@ -51086,7 +51106,7 @@ export interface PropertyHolderSchema {
             /**
              * units for an axis
              */
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         };
         name: "band_structure";
         /**
@@ -51225,7 +51245,7 @@ export interface PropertyHolderSchema {
             value: number;
         };
         name: "total_energy_contributions";
-        units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+        units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
     } | {
         xAxis: {
             /**
@@ -51272,7 +51292,7 @@ export interface PropertyHolderSchema {
             /**
              * units for an axis
              */
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         };
         name: "potential_profile";
         /**
@@ -51326,7 +51346,7 @@ export interface PropertyHolderSchema {
             /**
              * units for an axis
              */
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         };
         name: "reaction_energy_profile";
         /**
@@ -51343,7 +51363,7 @@ export interface PropertyHolderSchema {
             /**
              * units for an axis
              */
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         };
         yAxis: {
             /**
@@ -51535,7 +51555,7 @@ export interface PropertyHolderSchema {
             /**
              * units for an axis
              */
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
         };
         name: "average_potential_profile";
         /**
@@ -56712,6 +56732,19 @@ export interface WorkflowScopeSchema {
         [k: string]: unknown;
     };
 }
+/** Schema dist/js/schema/workflow/subworkflow/convergence/enum_options.json */
+export interface WorkflowSubworkflowConvergenceEnumOptions {
+    [k: string]: unknown;
+}
+/**
+ * This interface was referenced by `WorkflowSubworkflowConvergenceEnumOptions`'s JSON-Schema
+ * via the `definition` "ConvergenceParameterNameEnum".
+ */
+export declare enum ConvergenceParameterNameEnum {
+    N_k = "N_k",
+    N_k_nonuniform = "N_k_nonuniform",
+    N_k_nonuniform_2D = "N_k_nonuniform_2D"
+}
 /** Schema dist/js/schema/workflow/subworkflow/unit.json */
 export type WorkflowSubworkflowUnitSchema = {
     /**

package/dist/js/types.js

@@ -1,7 +1,7 @@
 "use strict";
 /** Schema dist/js/schema/apse/db/materials_project/2025.9.25/summary.json */
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.Action = exports.Type = exports.ContextProviderNameEnum = exports.Name = void 0;
+exports.ConvergenceParameterNameEnum = exports.Action = exports.Type = exports.ContextProviderNameEnum = exports.Name = void 0;
 var Name;
 (function (Name) {
     Name["PlanewaveCutoffDataManager"] = "PlanewaveCutoffDataManager";
@@ -79,3 +79,13 @@ var Action;
     Action["getData"] = "get-data";
     Action["info"] = "info";
 })(Action = exports.Action || (exports.Action = {}));
+/**
+ * This interface was referenced by `WorkflowSubworkflowConvergenceEnumOptions`'s JSON-Schema
+ * via the `definition` "ConvergenceParameterNameEnum".
+ */
+var ConvergenceParameterNameEnum;
+(function (ConvergenceParameterNameEnum) {
+    ConvergenceParameterNameEnum["N_k"] = "N_k";
+    ConvergenceParameterNameEnum["N_k_nonuniform"] = "N_k_nonuniform";
+    ConvergenceParameterNameEnum["N_k_nonuniform_2D"] = "N_k_nonuniform_2D";
+})(ConvergenceParameterNameEnum = exports.ConvergenceParameterNameEnum || (exports.ConvergenceParameterNameEnum = {}));

package/example/properties_directory/scalar/thermal_correction_to_energy.json

@@ -0,0 +1,5 @@
+{
+    "name": "thermal_correction_to_energy",
+    "units": "kcal/mol",
+    "value": 15.033
+}

package/example/properties_directory/scalar/thermal_correction_to_enthalpy.json

@@ -0,0 +1,5 @@
+{
+    "name": "thermal_correction_to_enthalpy",
+    "units": "kcal/mol",
+    "value": 15.626
+}

package/manifest/properties.yaml

@@ -59,6 +59,18 @@ zero_point_energy:
   schemaId: properties-directory/scalar/zero-point-energy
   isResult: true
 
+thermal_correction_to_energy:
+  defaults:
+    units: kcal/mol
+  schemaId: properties-directory/scalar/thermal-correction-to-energy
+  isResult: true
+
+thermal_correction_to_enthalpy:
+  defaults:
+    units: kcal/mol
+  schemaId: properties-directory/scalar/thermal-correction-to-enthalpy
+  isResult: true
+
 reaction_energy_barrier:
   defaults:
     units: eV

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/esse",
-    "version": "2026.3.25-1",
+    "version": "2026.4.4-0",
     "description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
     "scripts": {
         "transpile": "tsc -p tsconfig-transpile.json",

package/schema/definitions/units.json

@@ -45,6 +45,7 @@
     },
     "energy": {
         "enum": [
+            "kcal/mol",
             "kJ/mol",
             "eV",
             "J/mol",

package/schema/properties_directory/enum_options.json

@@ -28,6 +28,8 @@
                 "pressure",
                 "reaction_energy_barrier",
                 "surface_energy",
+                "thermal_correction_to_energy",
+                "thermal_correction_to_enthalpy",
                 "total_energy",
                 "total_force",
                 "valence_band_offset",

package/schema/properties_directory/scalar/thermal_correction_to_energy.json

@@ -0,0 +1,21 @@
+{
+    "$id": "properties-directory/scalar/thermal-correction-to-energy",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Thermal correction to energy property schema",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../../core/reusable/energy.json"
+        }
+    ],
+    "properties": {
+        "name": {
+            "enum": [
+                "thermal_correction_to_energy"
+            ]
+        }
+    },
+    "required": [
+        "name"
+    ]
+}

package/schema/properties_directory/scalar/thermal_correction_to_enthalpy.json

@@ -0,0 +1,21 @@
+{
+    "$id": "properties-directory/scalar/thermal-correction-to-enthalpy",
+    "$schema": "http://json-schema.org/draft-07/schema#",
+    "title": "Thermal correction to enthalpy property schema",
+    "type": "object",
+    "allOf": [
+        {
+            "$ref": "../../core/reusable/energy.json"
+        }
+    ],
+    "properties": {
+        "name": {
+            "enum": [
+                "thermal_correction_to_enthalpy"
+            ]
+        }
+    },
+    "required": [
+        "name"
+    ]
+}

package/schema/property/holder.json

@@ -33,6 +33,12 @@
                 {
                     "$ref": "../properties_directory/scalar/surface_energy.json"
                 },
+                {
+                    "$ref": "../properties_directory/scalar/thermal_correction_to_energy.json"
+                },
+                {
+                    "$ref": "../properties_directory/scalar/thermal_correction_to_enthalpy.json"
+                },
                 {
                     "$ref": "../properties_directory/scalar/total_energy.json"
                 },

package/schema/workflow/subworkflow/convergence/enum_options.json

@@ -0,0 +1,18 @@
+{
+    "$id": "workflow/subworkflow/convergence/enum-options",
+    "definitions": {
+        "ConvergenceParameterNameEnum": {
+            "type": "string",
+            "enum": [
+                "N_k",
+                "N_k_nonuniform",
+                "N_k_nonuniform_2D"
+            ],
+            "tsEnumNames": [
+                "N_k",
+                "N_k_nonuniform",
+                "N_k_nonuniform_2D"
+            ]
+        }
+    }
+}