[Wien] two questions about NMR calculations

[Bing Zhou]

Dear all,

I try to decompose the magnetic shielding contributions into different energy windows, here I have two questions in running x_nmr_lapw:

Question 1 is about the additivity of the NMR shielding contributions from different energy windows: I assume the summation for the shielding contributions from each different energy windows should be equal to the total chemical shielding calculated. However, it seems not the case, i.e., the summation did not add up to the total shielding calculated, am I right or did I miss something?

Questions 2 is simply about the energy unit used for energy windows: there are two energy units (eV and Ry) for DOS map, however, what is the default energy unit in running "x_nmr_lapw -emin xx -emax yy"?

Thank you in advance!

Bing