Fe total energy off by 70 mHtr
Comparing a calculation on Fe with the old fleur shows a difference of about 70 mHtr after self consistency is reached. After the first iteration nearly all energy contributions between the two calculations are identical, with the exception of the sum of eigenvalues.
old fleur: sum of eigenvalues = -732.9931934539
new fleur: sum of eigenvalues = -732.9978566938
After creation of the input density there is a difference in the out file: In the new fleur the variables izmin and izmax are set to 0. In the old fleur they were izmin=***** (too large), izmax=32767. However, I don't expect this to be the reason for the energy differences observed.