[CPMD-list] calculating density of states

Nicholas Lambropoulos n.lambropoulos at chem.usyd.edu.au
Wed Mar 12 01:04:22 CET 2003


Dear cpmd gurus:

Would like to know if cpmd is able to directly calculate partial and total 
density of states. I have noted the density.x & spinden.x files generated 
from your manual. Are there any scripts either in perl, fortran, etc that 
may exist out there. I look forward to your advise.

Kind Regards,
nicholas




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