[Wien] rare earth metal Tb

علاء عبد الحميد aladin331 at gmail.com
Sat Jun 2 10:58:42 CEST 2012


Dear WIEN2K user and developer
I'm trying to calculate the band structure, DOS and FS of ferromagnetic Tb
but the results of the Fermi Energy is very small about 0.06 comparing to
(0.46 from LCAO calculation).
I followed the manual as it is written, I include the experiimental value
of the lattice parameter.
I did the same calculations for both Gd and Er, it shows agreement with the
theoretical calculations using LCAO method.
Please let me know, Is there any special inputs for ferromagnetic Tb? and
what I have to do in this case?

Alaa S Hamid
Associate prof. Qassim University
Saudi Arabia
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