  for (( KJMP2=1;KJMP2<=18;KJMP2++ )) 
  #for KJMP2 in 1 3 7 12 16 35 41 43
   do
cp INCAR.MP2 INCAR
echo "ENCUT=$encut" >> INCAR
echo "ENCUTGW=$encutgw" >> INCAR
echo "NBANDS=$NBANDS" >> INCAR
echo "KQMP2=$KQMP2" >> INCAR
echo "KIMP2=$KIMP2" >> INCAR
echo "KJMP2=$KJMP2" >> INCAR
$VASP > out.MP2.$encut.${encutgw}.${KQMP2}.${KIMP2}.${KJMP2}
cp OUTCAR OUTCAR.MP2.$encut.${encutgw}.${KQMP2}.${KIMP2}.${KJMP2}
cp OUTCAR.MP2.$encut.${encutgw}.${KQMP2}.${KIMP2}.${KJMP2} $PBS_O_WORKDIR/
#cp out.MP2.$encut.${encutgw}.${KQMP2}.${KIMP2}.${KJMP2} $PBS_O_WORKDIR/
  done

  rm CHG*
 done
rm WAVE*


