[Wien] Problem when running LSDA + U

[swarup saha]

Dear wien2k user,
                          I am doing calculation of FeCr2S4 structure. For
lsda + u calculation i used  case.indmc  and  case.inorbc
case.indmc
 -9.                      Emin cutoff energy
 2                       number of atoms for which density matrix is
calculated
 1  1  2      index of 1st atom, number of L's, L1
 2  1  2      dtto for 2nd atom, repeat NATOM times
 0 0           r-index, (l,s)index


case.inorbc
 1  2  0                     nmod, natorb, ipr
PRATT  1.0                    BROYD/PRATT, mixing
  1 1 2                          iatom nlorb, lorb
  2 1 2                          iatom nlorb, lorb
  1                              nsic 0..AFM, 1..SIC, 2..HFM
   1.56 0.00        U J (Ry)   Note: we recommend to use U_eff = U-J and J=0
   0.61 0.00        U J

This U and J value collected  from   published  paper  .

I used
nohup runsp_lapw -dm -orb -p -I -i 60 -cc 0.0000001 &  also
nohup runsp_lapw -orb -p -I -i 60 -cc 0.0000001 &
>   (init_lapw) options:
Sun Jun 17 22:36:24 IST 2007> (x) nn -f FeCr2S4
Sun Jun 17 22:36:25 IST 2007> (x) nn
Sun Jun 17 22:36:30 IST 2007> (x) sgroup
Sun Jun 17 22:36:34 IST 2007> (x) symmetry
Sun Jun 17 22:36:38 IST 2007> (x) lstart
Sun Jun 17 22:36:56 IST 2007> (x) kgen
Sun Jun 17 22:37:04 IST 2007> (x) dstart
Sun Jun 17 22:37:09 IST 2007> (x) dstart -up
Sun Jun 17 22:37:12 IST 2007> (x) dstart -dn
>   (runsp_lapw) options: -orb -p -I -i 60 -cc 0.0000001
Sun Jun 17 22:38:33 IST 2007> (x) lapw0 -p
Sun Jun 17 22:38:38 IST 2007> (x) lapw1 -up -p -orb
Sun Jun 17 22:44:57 IST 2007> (x) lapw1 -dn -p -orb
Sun Jun 17 22:51:14 IST 2007> (x) lapw2 -up -p
Sun Jun 17 22:52:17 IST 2007> (x) sumpara -up -d
Sun Jun 17 22:52:17 IST 2007> (x) sumpara_vresp -up -d
Sun Jun 17 22:52:17 IST 2007> (x) lapw2 -dn -p
Sun Jun 17 22:53:15 IST 2007> (x) sumpara -dn -d
Sun Jun 17 22:53:15 IST 2007> (x) sumpara_vresp -dn -d

after this  uporb.error files write 'Error in Vorb'  and  aborted the job.
  I dont understand what it means and does not figure out what is the
problem.
  Can anybody help me to solve this problem.

Thanks and Regards,


                                 Swarup Saha
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