units in output of kinetic energy density

dfgtyx · Post by **dfgtyx** » Wed Apr 11, 2012 10:58 pm

Dear All,

I have a question: what are the units of the output associated with the prtkden flag? The documentation says "bohr^-5", but does not strike me as being correct.

Ke/Vol = [ mass ] [ length ]^2 [ time ]^(-2) [length]^(-3)

if "keden" is actually the laplacian density, then I should multiply them by hbar^2/2m, but, then, I can't make them match the computed kinetic energy.
If you know please help.

Thanks,
Nathan