COHPstartEnergy  -4
COHPendEnergy     4
cohpsteps 10
basisSet Bunge
basisfunctions Na 3s 2p
basisfunctions Cl 3s 3p
writeGrossPopulation
cohpbetween atom 1 and atom 6
cohpGenerator from 0.1 to 4.0 orbitalwise
printMofeAtomWise
BWDF
BWDFCOHP
