wien2k: parsing magnetic moments in the interstital region, inside the sphere...

wien2k: parsing magnetic moments in the interstital region, inside the sphere and the total moment per cell

parser/parser-wien2k/wien2k_parser.py

@@ -74,7 +74,10 @@ mainFileDescription = SM(
                       SM(r":ENE  : \W*\w*\W*\TOTAL ENERGY IN Ry =\s*(?P<x_wien2k_total_ene>[-+0-9.]+)"),
                       SM(r":FER  : (\w*\s*)*-\s\w*\W\w*\WM\W*=\s*(?P<x_wien2k_fermi_ene>[-+0-9.]+)"),
                       SM(r":GAP  : (?P<x_wien2k_ene_gap_Ry>[-+0-9.]+)\s*Ry\s*=\s*(?P<x_wien2k_ene_gap_eV>[-+0-9.]+)\s*eV\s*\W*\w*\s\W"),
-                      SM(r":RKM  : MATRIX SIZE (?P<x_wien2k_matrix_size>[0-9]+)\s*LOs:\s*(?P<x_wien2k_LOs>[0-9.]+)\s*RKM=\s*(?P<x_wien2k_rkm>[0-9.]+)\s*WEIGHT=\s*[0-9.]*\s*\w*:")
+                      SM(r":RKM  : MATRIX SIZE (?P<x_wien2k_matrix_size>[0-9]+)\s*LOs:\s*(?P<x_wien2k_LOs>[0-9.]+)\s*RKM=\s*(?P<x_wien2k_rkm>[0-9.]+)\s*WEIGHT=\s*[0-9.]*\s*\w*:"),
+                      SM(r":MMTOT: TOTAL MAGNETIC MOMENT IN CELL =\s*(?P<x_wien2k_mmtot>[-+0-9.]+)"),
+                      SM(r":MMINT: MAGNETIC MOMENT IN INTERSTITIAL =\s*(?P<x_wien2k_mmint>[-+0-9.]+)"),
+                      SM(r":MMI001: MAGNETIC MOMENT IN SPHERE 1 =\s*(?P<x_wien2k_mmi001>[-+0-9.]+)")
                   ]
               )
            ]