Update qbox_dos.py, add ef parameter

util/qbox_dos.py

 #!/usr/bin/python
 # qbox_dos.py: extract electronic DOS from Qbox output
 # generate DOS plot in gnuplot format
-# use: qbox_dos.py [-last] emin emax width file.r
-# emin, emax: bounds of plot in [eV]
+# use: qbox_dos.py [-last] emin emax ef width file.r
+# emin, emax: bounds of plot in [eV] relative to ef
+# ef: value of Fermi energy [eV]
 # width: gaussian broadening in [eV]
 # the DOS is accumulated separately for each spin
 # With the -last option, only the last <eigenset> is used to compute the DOS
@@ -11,8 +12,8 @@ import xml.sax
 import sys
 import math
 
-if (len(sys.argv) != 5) and (len(sys.argv) != 6) :
-  print "use: ",sys.argv[0]," [-last] emin emax width file.r"
+if (len(sys.argv) != 6) and (len(sys.argv) != 7) :
+  print "use: ",sys.argv[0]," [-last] emin emax ef width file.r"
   sys.exit()
 
 iarg = 1
@@ -25,6 +26,8 @@ emin = float(sys.argv[iarg])
 iarg += 1
 emax = float(sys.argv[iarg])
 iarg += 1
+ef = float(sys.argv[iarg])
+iarg += 1
 width = float(sys.argv[iarg])
 iarg += 1
 infile = sys.argv[iarg]
@@ -74,22 +77,22 @@ class QboxOutputHandler(xml.sax.handler.ContentHandler):
       for i in range(len(self.e)):
         for j in range(ndos):
           ej = emin + j * de
-          self.dos_up[j] += gauss(float(self.e[i])-ej, width ) * self.weight
+          self.dos_up[j] += gauss(float(self.e[i])-ef-ej, width ) * self.weight
     if self.spin == 1:
       for i in range(len(self.e)):
         for j in range(ndos):
           ej = emin + j * de
-          self.dos_dn[j] += gauss(float(self.e[i])-ej, width ) * self.weight
+          self.dos_dn[j] += gauss(float(self.e[i]-ef)-ej, width ) * self.weight
 
   def print_dos(self):
-    print "# ",infile," spin=0 width=",width
+    print "# ",infile," ef=",ef," spin=0 width=",width
     for j in range(ndos):
       ej = emin + j * de
       print ej, self.dos_up[j]
     if self.nspin == 2:
       print
       print
-      print "# ",infile," spin=1 width=",width
+      print "# ",infile," ef=",ef," spin=1 width=",width
       for j in range(ndos):
         ej = emin + j * de
         print ej, self.dos_dn[j]