Dear all,

I'm trying to calculate band structure and density of states usig Dmol3.. but I faild to get the the results as chart !!

I did the calculation by submit the files below to the server :

for a DOS calculation:

seedname_DOS.tpvec

seedname_DOS.tpotl

seedname_DOS.car

seedname_DOS.kpoints

seedname_DOS.tpdensk

seedname_DOS.kptaux

and for a Band structure calculation:

seedname_BandStr.tpvec

seedname_BandStr.tpotl

seedname_BandStr.car

seedname_BandStr.kpoints

seedname_BandStr.tpdensk

seedname_BAndStr.kptaux

The calculation finished in seconds .. but I dont know how can I analyse the results and get the band structure plot and A PDOS plot ?!

I would be happy for any help..

Thanks.

Niveen