--- /dev/null
+#!/bin/bash
+
+for i in OUTCAR*; do
+ app=`echo $i | awk -F. '{ print $2 }'`
+ [ ! -z $app ] && app=".$app"
+
+rm -rf video$app
+mkdir -p video$app
+
+sicnt=`grep 'ions per' $i | awk '{ print $5 }'`
+ccnt=`grep 'ions per' $i | awk '{ print $6 }'`
+
+((total=sicnt+ccnt))
+
+echo "parsing file $PWD/$i ..."
+echo " Si: $sicnt, C: $ccnt, total: $total"
+
+cnt=0
+tcnt=0
+
+cx=1.0
+cy=1.0
+cz=0.8
+
+sed -n -e '/ position of ions in cartesian/,/----/p' $i | \
+ grep -v POS | grep -v total | grep -v -- ^\ - | \
+ while read x y z; do
+
+ time=`printf "%05d" $tcnt`
+ #echo -en "$tcnt/$cnt "
+ [ "$cnt" = "0" ] && \
+ echo "# P $total $time <$cx,$cy,$cz>" > \
+ video$app/atomic_conf_$time.xyz
+
+ type="Si"
+ color="Yellow"
+ force=0.0
+ if [ $cnt -ge $sicnt ]; then
+ type="C"
+ color="Gray"
+ fi
+ echo "$type $x $y $z $color $force" >> \
+ video$app/atomic_conf_$time.xyz
+
+ ((cnt+=1))
+ if [ $cnt -eq $total ]; then
+ cnt=0
+ ((tcnt+=1))
+ echo -en "$tcnt "
+ fi
+done
+
+echo
+
+done
+