[Q-e-developers] recompute the total energy after scf is finished

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Thu Nov 7 12:12:25 CET 2013


One last question: is there a smarter way to get v_ext than doing 
vrs(:,current_spin)-v%of_r(:,current_spin)


cheers, and thanks for all the help


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www-int.impmc.upmc.fr/~paulatto/
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