#
# To run VASP this script calls $vasp_std
# (or posibly $vasp_gam and/or $vasp_ncl).
# These variables can be defined by sourcing vaspcmd
. vaspcmd 2> /dev/null

#
# When vaspcmd is not available and $vasp_std,
# $vasp_gam, and/or $vasp_ncl are not set as environment
# variables, you can specify them here
[ -z "`echo $vasp_std`" ] && vasp_std="mpirun -np 8 /path-to-your-vasp/vasp_std"
[ -z "`echo $vasp_gam`" ] && vasp_gam="mpirun -np 8 /path-to-your-vasp/vasp_gam"
[ -z "`echo $vasp_ncl`" ] && vasp_ncl="mpirun -np 8 /path-to-your-vasp/vasp_ncl"

#
# The real work starts here
#

rm WAVECAR SUMMARY.dia

cp INCAR.vol INCAR
cp KPOINTS.vol KPOINTS

for i in  5.2 5.3 5.4 5.5 5.6 5.7 5.8 ; do
cat >POSCAR <<!
cubic diamond
   $i 
 0.0    0.5     0.5
 0.5    0.0     0.5
 0.5    0.5     0.0
  2
Direct
 -0.125 -0.125 -0.125
  0.125  0.125  0.125
!
echo "a= $i"

$vasp_std

E=`awk '/F=/ {print $0}' OSZICAR` ; echo $i $E  >>SUMMARY.dia
done
cat SUMMARY.dia