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[<ski2@mail.uh.edu>]

Dear Abinit developers and users, 

I am trying to calculate different spin states of a system with PAW and
LDA+U(FLL) scheme. 
The calculations were aborted with the same error message as the following:
******************************************
 LDA+U Method used: FLL
******************************************

================================================================================

     iter   Etot(hartree)      deltaE(h)  residm     nres2    diffor    maxfor

 pawdij : ERROR -
  PAW+U: Error after the loop for calculating dijpawu
  Action : contact the abinit group.

The input file was given as:
ecut    500 eV                     
fband   0.125                      
kptopt  1                          
ngkpt   6 6 10                     
                                   
nshiftk 1
shiftk  0.5 0.5 0.5                
#occopt 1
tsmear  0.1 eV
 
ntypat 3        
znucl 23 34 8   
natom 72
acell 11.2338 11.2338 7.8711 angstrom
angdeg 90 90 90
typat 1 1 1 2 2 3 3 3 3 3 3 3 3       
xred                                  
  0.0000000000  0.0000000000   0.91485
  0.5000000000  0.5000000000   0.67084
  0.0000000000  0.5000000000   0.74483
  0.21837 0.86730  0.73783
  0.25936 0.60346  0.84145
  0.0000000000  0.0000000000   0.1202
  0.5000000000  0.5000000000   0.4637
  0.0000000000  0.5000000000   0.9475
  0.3781  0.6231   0.7125
  0.1725  0.9752   0.8739
  0.3561  0.9046   0.6896
  0.1485  0.5935   0.7007
  0.2456  0.7559   0.9017
natrd   13
spgroup 103
spgaxor 1
spgorig 1
brvltt  1

nsppol 2   
nspinor 1
nspden 2      
spinat 0 0 1 0 0 -1 0 0 1 3*0 3*0 3*0 3*0 3*0 3*0 3*0 3*0 3*0 3*0

#Structural relaxation variables w.r.t. the lattice parameters
#optcell 0
#ionmov 2
#dilatmx 1.0
#ntime 10
#ecutsm  0.5
#diemix  0.7
#iprcel 45
#npulayit 7
#strfact 100.0
#getxred 0

#fixed direction in their coordinates
#natfixx  16
#natfixy  16
#iatfixx 1 2 3 6 7 8 14 17 23 24 25 28 29 30 43 46
#iatfixy 1 2 3 6 7 8 14 17 23 24 25 28 29 30 43 46

ixc 7            

usepaw 1
usepawu 1
upawu 2 2 2 0 0 0 0 0 0 0 0 0 0 eV
lpawu  2 2 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1  
jpawu 0 0 0 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1     
pawecutdg 1300 eV  
pawovlp 5.5

iscf    17
nstep 300          
tolmxf 5.0d-5
toldff 5.0d-6

prtkpt 1
prtwf 1
prtgeo 1
prtden -1

Please let me know how to overcome the problem.

Best Wishes,
Sang-Hwan Kim (Post Doc)
Department of Chemistry
University of Houston