Eigenval docstrings

pymatgen/io/vasp/outputs.py

@@ -4502,8 +4502,59 @@ def get_parchg(self, poscar, kpoint, band, spin=None, phase=False,
 class Eigenval:
     """
     Object for reading EIGENVAL file.
+
+    .. attribute:: filename
+
+        string containing input filename
+
+    .. attribute:: occu_tol
+
+        tolerance for determining occupation in band properties
+
+    .. attribute:: ispin
+
+        spin polarization tag (int)
+
+    .. attribute:: nelect
+
+        number of electrons
+
+    .. attribute:: nkpt
+
+        number of kpoints
+
+    .. attribute:: nbands
+
+        number of bands
+
+    .. attribute:: kpoints
+
+        list of kpoints
+
+    .. attribute:: kpoints_weights
+
+        weights of each kpoint in the BZ, should sum to 1.
+
+    .. attribute:: eigenvalues
+
+        Eigenvalues as a dict of {(spin): np.ndarray(shape=(nkpt, nbands, 2))}.
+        This representation is based on actual ordering in VASP and is meant as
+        an intermediate representation to be converted into proper objects. The
+        kpoint index is 0-based (unlike the 1-based indexing in VASP).
     """
+
     def __init__(self, filename, occu_tol=1e-8):
+        """
+        Reads input from filename to construct Eigenval object
+
+        Args:
+            filename (str):     filename of EIGENVAL to read in
+            occu_tol (float):   tolerance for determining band gap
+
+        Returns:
+            a pymatgen.io.vasp.outputs.Eigenval object
+        """
+
         self.filename = filename
         self.occu_tol = occu_tol
 
@@ -4551,6 +4602,7 @@ def eigenvalue_band_properties(self):
         Band properties from the eigenvalues as a tuple,
         (band gap, cbm, vbm, is_band_gap_direct).
         """
+
         vbm = -float("inf")
         vbm_kpoint = None
         cbm = float("inf")