[Wien] (no subject)

[SENAPATI, Laxmidhar]

Dear Prof. Blaha and wien users,
       I am trying to do magnetic calculation for fccNi. I have problem in generating DOS. When I 
run  x tetra -up, I get the folllowing message
STOP  LEGAL END TETRA
0.0u 0.0s 0:00 15% 46+350k 0+0io 14pf+0w.

The problem only occur when I take spin orbit coupling into account.
Could anyone please let me know what I am doing wrong?

Following is the content in file fccni.int
fcc Ni
  -0.50 0.002 1.500 0.003   EMIN, DE, EMAX, Gauss-broadening(>de)
     6                      NUMBER OF DOS-CASES specified below
     0    1   total         atom, case=column in qtl-header, label
     1    2  Ni  tot
     1    3   Ni  d
     1    4   Ni  eg
     1    5   Ni t2g
     1    6   Ni p


The content in file fccni.inso

WFFIL
  4  0  0                      llmax,ipr,kpot
  -10.0000   1.50000           emin,emax (output energy window)
    0.  0.  1.                 direction of magnetization (lattice vectors)
  1                           number of atoms for which RLO is added
  1   -4.97      0.005        atom number,e-lo,de (case.in1), repeat NX times
  0 0                         number of atoms for which SO is switch off; atom



  
Laxmidhar Senapati
Post Doctoral Fellow
406 Latimer Hall#1460
University of California at Berkeley
Department of Chemistry and Pitzer Center for Theoretical Chemistry
Berkeley, CA 94720
Phone: 510-643-1659
email: senapl at berkeley.edu
           senapl at holmium.cchem.berkeley.edu