#!/usr/bin/bash

ulimit -s unlimited

runvasp="mpirun -np 4 vasp_gam"

drct=$(pwd)

stepmax=2

#c initialize RNG
aaa=$(echo "RANDOM_SEED =         817605623                0                0" )


  step=1

  while [ $step -le $stepmax ]
  do
    cp POSCAR POSCAR.$step
    cp INCAR.init INCAR
    echo $aaa >> INCAR

    $runvasp

    #c extract seed of RNG from the last step
    aaa=$(grep RANDOM_SEED REPORT|tail -1 )

    #c save important output files 
    cp REPORT report.$step
    cp vasprun.xml vasprun.xml.$step

    cp CONTCAR POSCAR

    let step+=1
  done

