[Pw_forum] Density of States

[Uri Argaman]

Dear QE users,

I do density of states calculations using QE and I try to calculate the
electronic heat capacity of metals with the electronic DOS:

1.    What is the energy in the DOS file? Is it the eigenvalues? How can I
calculate the total energy or the one electron contribution from the DOS?
(I try to do the integral: DOS(E)*E*dE from  minus Infinity to E Fermi and
I think it should be equal to the one electron contribution, but it does
not).

2.    What do you know about the excited states? DFT is a good
approximation for excited states?

Thank you very much

Uri Argaman

Ben-Gurion University

Israel
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