diff --git a/input/dft b/input/dft
index d929211..10f14d4 100644
--- a/input/dft
+++ b/input/dft
@@ -1,25 +1,25 @@
 # Restricted or unrestricted KS calculation
   eDFT-UKS
 # exchange rung:
-# Hartree      = 0: H
-# LDA          = 1: S51,CC
-# GGA          = 2: B88
-# Hybrid       = 4:
-# Hartree-Fock = 666: HF
-  1 S51
+# Hartree      = 0
+# LDA          = 1: RS51,RMFL20
+# GGA          = 2: RB88
+# Hybrid       = 4
+# Hartree-Fock = 666
+  1 S51  
 # correlation rung: 
-# Hartree      = 0: H
-# LDA          = 1: VWN5,MFL20
+# Hartree      = 0
+# LDA          = 1: RVWN5,RMFL20
 # GGA          = 2: 
 # Hybrid       = 4: 
-# Hartree-Fock = 666: HF
-  1 VWN5
+# Hartree-Fock = 666
+  0 H 
 # quadrature grid SG-n
   1
 # Number of states in ensemble (nEns)
   3
 # Ensemble weights: wEns(1),...,wEns(nEns-1)
-  0.000000 0.0
+  1 0.0 
 # Parameters for CC weight-dependent exchange functional
 0.000000 0.0000000 0.000000
 0.000000 0.0000000 0.0000000
diff --git a/scripts/scan_w.sh b/scripts/scan_w.sh
index 8413cd1..de2d040 100755
--- a/scripts/scan_w.sh
+++ b/scripts/scan_w.sh
@@ -4,8 +4,8 @@ MOL=$1
 BASIS=$2
 
 w_start=0.0
-w_end=1.05
-dw=0.05
+w_end=1.0
+dw=0.1
 
 w2=0.0
 
@@ -15,10 +15,13 @@ CF=$4
 aw1="0.000000 0.0000000 0.000000"
 aw2="0.000000 0.0000000 0.0000000"
 
+DATA=${MOL}_${BASIS}_${XF}_${CF}.dat
+rm $DATA
+touch $DATA
+
 for w1 in $(seq $w_start $dw $w_end)
 do
 ###  w2=${w1}
-  echo "Weights = " $w1 $w2
   echo "# Restricted or unrestricted KS calculation" > input/dft
   echo "  eDFT-UKS" >> input/dft
   echo "# exchange rung:" >> input/dft
@@ -46,6 +49,15 @@ do
   echo ${aw2} >> input/dft
   echo "# GOK-DFT: maxSCF thresh   DIIS n_diis guess_type ortho_type" >> input/dft
   echo "           32    0.00001   T     5      1          1" >> input/dft
-  ./GoXC $MOL $BASIS > ${MOL}_${BASIS}_${XF}_${CF}_${w1}.out
+  OUTPUT=${MOL}_${BASIS}_${XF}_${CF}_${w1}.out
+  ./GoXC $MOL $BASIS > ${OUTPUT}
+  Ew=`grep "Ensemble energy:" ${OUTPUT} | cut -d":" -f 2 | sed 's/au//'`
+  E0=`grep "Individual energy state  1:" ${OUTPUT} | cut -d":" -f 2 | sed 's/au//'`
+  E1=`grep "Individual energy state  2:" ${OUTPUT} | cut -d":" -f 2 | sed 's/au//'`
+  E2=`grep "Individual energy state  3:" ${OUTPUT} | cut -d":" -f 2 | sed 's/au//'`
+  IP=`grep "Ionization Potential"  ${OUTPUT} | grep " au" | tail -1 | cut -d":" -f 2 | sed 's/au//'`
+  EA=`grep "Electronic Affinity"  ${OUTPUT} | grep " au" | tail -1 | cut -d":" -f 2 | sed 's/au//'`
+  echo $w1 $w2 $Ew $E0 $E1 $E2 $IP $EA
+  echo $w1 $w2 $Ew $E0 $E1 $E2 $IP $EA >> ${DATA}
 done