#!/bin/bash

element=$1

dir="$element"

echo $dir

cd ..

if [ -d $dir ]
then
  echo "Directory already exists"
  exit 1
else
  mkdir $dir
fi
cd $dir

sed s/"___atom___"/$element/ "../Generate script/create_=.in" > tmp1
sed s/"___title___"/"$element "/ tmp1 > "=.pipe"
rm tmp1
rm tmp2

fedit21.00-61-x86_64 -pipe <=.pipe 2>+log 1> out.fedit
fplo21.00-61-x86_64 2>>+log 1| tee out.scf
fplo21.00-61-x86_64 2>>+log 1| tee out.scf

rm '+fkval.001.1'
rm '=.dens'
rm '+fkcor.001.1'
rm '+vatom.001'
rm '=.in.bak'

cd ..
cd 'Generate script'




