[Wien] Ti L_III spectrum of TiC

[Harry John Gotsis]

Dear Wien users;

After a converged SCF cycle for the TiC
example (p. 13 of the manual) I
proceeded with the calculation of Ti
L_III spectrum following the sequence
of steps in w2web. My calculated
spectrum does not compare well with
Figure 3.14 in the high energy sideband
(see attached file).

Regards,

Harry Gotsis
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