To whom may concern, I m using wien2k_11 and after selecting the orb option for a regular "run_sp_lapw " I have never seen the execution of the "orb" program after "lapw0" (as other times), but "lapw1" is still having the flag -orb active. In fact, run_sp_lapw finish correctly without having any apparently error and without running orb program somehow. Is it normal?
I am comment you that because I m having a lapw0 error during first cycle when I activate the flags -eece and -orb together in run_sp_lapw from w2web, and I guess it is because the orb program is not running during self consistent cycles. Many thanks in advance for your comments. Dr. C?sar de la Fuente