Energy in NSCF calculations

Total energy, DFT+U, BigDFT,...

Moderator: amadon

Energy in NSCF calculations

Postby koalad » Wed Jun 06, 2018 4:13 pm

Dear abinit users,

I am planning to calculate the decomposed energies (E_Kin, E_XC,.. etc) from a manually generated charge density, in other words, using NSCF calculation.

However, it seems like if I run an NSCF calculation, the code does not print the energy.

Should I change the code to make an energy output? If so, where should I modify the code?
Or could there be a better way of doing it?

Any comments would be most appreciated.

Thank you very much!
koalad
 
Posts: 7
Joined: Mon May 14, 2018 4:51 pm

Return to Ground state

Who is online

Users browsing this forum: No registered users and 1 guest