[Pw_forum] Band Energy?

[Lorenzo Paulatto]

On Thursday, March 2, 2017 10:36:22 AM CET Ryky Nelson wrote:
> could anyone tell me if QE writes out band energy, i.e. the sum of
> kohn-sham eigenvalues up to the fermi level, somewhere in one of its output
> files? I was trying to find it in stdout but it's not there. Or is there a
> way, perhaps by setting up a flag, to to tell pw.x to print this value?
> Thanks in advance!

I think the "one-electron energy" term, printed on output, is what you're 
looking for. You cna have it printed at each iteration, setting iprint=1

hth


-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05