From 2d50cbdcdbeaa83ee5a538ab5e6114b643679174 Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 10 Sep 2009 08:34:25 +0200 Subject: [PATCH] total energies printed out too --- vasp_tools/e_coh | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) 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" | \ -- 2.20.1