From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 10 Sep 2009 06:34:25 +0000 (+0200)
Subject: total energies printed out too
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=2d50cbdcdbeaa83ee5a538ab5e6114b643679174;p=physik%2Fposic.git

total energies printed out too
---

diff --git a/vasp_tools/e_coh b/vasp_tools/e_coh
index 6d8a107..44adfd9 100755
--- a/vasp_tools/e_coh
+++ b/vasp_tools/e_coh
@@ -65,9 +65,9 @@ echo "  Si correction: $free_si eV, C correction: $free_c eV"
 echo $energy $total | \
 	awk '{ print "  total e: " $1 " eV, per atom: " $1/$2 " eV"}'
 echo "$energy $sicnt $ccnt $free_si $free_c" | \
-	awk '{ print "  cohesive energy (Si and C): " ($1-$2*$4-$3*$5)/($2+$3) " eV" }'
+	awk '{ print "  cohesive energy (Si and C): " ($1-$2*$4-$3*$5)/($2+$3) " eV, " $1-$2*$4-$3*$5 " eV" }'
 echo "$energy $sicnt $free_c" | \
-	awk '{ print "  cohesive energy (C only): " ($1-$2*$3)/$2 " eV" }'
+	awk '{ print "  cohesive energy (C only): " ($1-$2*$3)/$2 " eV, " $1-$2*$3 " eV" }'
 #echo "$energy $total $free_si_250" | \
 #	awk '{ print "  cohesive energy (Si only 250): " ($1-$2*$3)/$2 " eV" }'
 #echo "$energy $sicnt $free_c_650" | \