more easy ...

diff --git a/vasp_tools/poscar2moldyn b/vasp_tools/poscar2moldyn
index 29a527e..b0ad584 100755 (executable)
--- a/vasp_tools/poscar2moldyn
+++ b/vasp_tools/poscar2moldyn
@@ -50,15 +50,12 @@ tail -${total} $file | \
                        type="C"
                        color="Gray"
                fi
-               ((X=0))
-               ((Y=0))
-               ((Z=0))
-               X=`echo $X $x $y $z $x1 $y1 $z1 | \
-                       awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
-               Y=`echo $Y $x $y $z $x2 $y2 $z2 | \
-                       awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
-               Z=`echo $Z $x $y $z $x3 $y3 $z3 | \
-                       awk '{ print $1+($2*$5)+($3*$6)+($4*$7) }'`
+               X=`echo $x $y $z $x1 $y1 $z1 | \
+                       awk '{ print $1*$4+$2*$5+$3*$6 }'`
+               Y=`echo $x $y $z $x2 $y2 $z2 | \
+                       awk '{ print $1*$4+$2*$5+$3*$6 }'`
+               Z=`echo $x $y $z $x3 $y3 $z3 | \
+                       awk '{ print $1*$4+$2*$5+$3*$6 }'`
                X=`echo $lc $X | awk '{ print $1*$2 }'`
                Y=`echo $lc $Y | awk '{ print $1*$2 }'`
                Z=`echo $lc $Z | awk '{ print $1*$2 }'`