X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=calc_delta_e;h=455ce57ebb9d4f61237a534b74bd40502067de0f;hb=dfb47bde6bf974d1b231048ec8bcda712404ccc1;hp=4ff46fb9f9084ba2a2fabeb3c72d53fd2a030299;hpb=9724c27ae4c4247b40d275f389a54d9fa02fa677;p=physik%2Fposic.git

diff --git a/calc_delta_e b/calc_delta_e
index 4ff46fb..455ce57 100755
--- a/calc_delta_e
+++ b/calc_delta_e
@@ -2,7 +2,7 @@
 
 file=`ls $1/atomic_conf_* | tail -1`
 atom_cnt=`grep '# \[P\]' $file | awk '{ print $3 }'`
-e0=`grep ^0 $1/energy | awk '{ print $4 }'`
+e0=`awk 'NR==2' $1/energy | awk '{ print $4 }'`
 e1=`tail -n 1 $1/energy | awk '{ print $4 }'`
 
 echo "$e0 $e1 $atom_cnt" | \