fix Electron F000 computation with D (or T) as an element, as per #289

Author: briantoby

GSASII/GSASIIElem.py

@@ -915,14 +915,17 @@ def SetupGeneral(data, dirname):
     F000N = 0.
     F000E = 0.
     ElTypes = [StripValence(elem) for elem in generalData['AtomTypes']]
-    EFFtables = GetEFFtable(ElTypes) 
+    if 'D' in ElTypes or 'T' in ElTypes: ElTypes.append('H')  # pseudo-elements D & T are 
+    EFFtables = GetEFFtable(ElTypes)                          # ignored in GetEFFtable
     for i,elem in enumerate(generalData['AtomTypes']):
         F000X += generalData['NoAtoms'][elem]*generalData['Z']
         isotope = generalData['Isotope'][elem]
         F000N += generalData['NoAtoms'][elem]*generalData['Isotopes'][elem][isotope]['SL'][0]
         if elem.strip() in ['D','T']:
-            elem = 'H'
-        F000E += generalData['NoAtoms'][elem]*ScatFac(EFFtables[StripValence(elem)],0.)[0]
+            elem1 = 'H'
+        else:
+            elem1 = elem
+        F000E += generalData['NoAtoms'][elem]*ScatFac(EFFtables[StripValence(elem1)],0.)[0]
     generalData['F000X'] = F000X
     generalData['F000N'] = F000N
     generalData['F000E'] = F000E