#!/bin/bash

OriginalDir=`pwd`

TemplateDir=$1
wd=$2
isite=$3
x=$4
y=$5
post=$6

VASPDir=$TkPerlDir/VASP
CMD="/usr/bin/perl $VASPDir/VASP.pl"
VASPCommand=./DoVASP.sh

cd $wd
echo === Working in \"`pwd`\"

echo === Files in \"$wd\"
ls

Command="$CMD --Action=ModifyPOSCAR --Positions=$isite:x:$x;$isite:y:$y POSCAR"
echo
echo === Execute [$Command]
$Command

Command=$VASPCommand
echo
echo === Execute [$Command]
$Command

echo
echo === Exit to \"$OriginalDir\"
cd $OriginalDir

echo ''
echo ''