fixed small bug in dos

parser/parser-exciting/exciting_parser_dos.py

@@ -54,11 +54,11 @@ class DosHandler(xml.sax.handler.ContentHandler):
                 self.inDosProj = True
         elif name == "point":
             if self.inDos:
-                self.totDos.append(ha_per_joule*float(attrs.getValue('dos')))
+                self.totDos.append(float(attrs.getValue('dos'))/ha_per_joule)
 #                self.energy.append(float(attrs.getValue('e')))
                 self.energy.append(fromH(float(attrs.getValue('e'))))
             elif self.inDosProj:
-                self.dosProj.append(ha_per_joule*float(attrs.getValue('dos')))
+                self.dosProj.append(float(attrs.getValue('dos'))/ha_per_joule)
 #                self.energy.append(float(attrs.getValue('e')))
                 self.energy.append(fromH(float(attrs.getValue('e'))))
         elif name == "diagram": 

parser/parser-exciting/exciting_parser_gw.py

@@ -169,7 +169,7 @@ class GWParser(object):
                     if not s: break
                     s = s.strip()
                     s = s.split()
-                    ene, value = fromH(float(s[0])), ha_per_joule*float(s[1])
+                    ene, value = fromH(float(s[0])), float(s[1])/ha_per_joule
                     dosEnergies.append(ene)
                     if not self.spinTreat:
                         for i in range(0,2):

parser/parser-exciting/parser_exciting.py

@@ -271,9 +271,8 @@ class ExcitingParserContext(object):
  
     smearing_internal_map = {
         "Gaussian": ['gaussian'],
-        "Methfessel-Paxton 1": ['methfessel-paxton'],
-        "Methfessel-Paxton 2": ['methfessel-paxton'],
-        "Fermi Dirac": ['fermi'],
+        "Methfessel-Paxton": ['methfessel-paxton'],
+        "Fermi-Dirac": ['fermi'],
         "Extended": ['tetrahedra']
         }