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[e120231@metu.edu.tr]

Hello,

I am a new user of abinit.While I was working on bcc iron, I experience some 
difficulties. The results did not converge to an acceptable value ( on the 
basis of acell). 

My input file is below


getwfk -1
nsppol 2
nband 6
nline 6

occopt 4
tsmear  0.04

kptopt 1
ngkpt  14 14 14

acell 3*6.0
rprim   -0.5  0.5  0.5
         0.5  -0.5  0.5
         0.5  0.5  -0.5

optcell 2
ionmov 3
dilatmx 1.5
ecutsm 0.5

ntypat 1
znucl 26

natom 1
typat 1
xred
   0.0  0.0  0.0

ixc 1
iscf 3

ecut 20.0
ntime  40
nstep 40
toldfe 1.0d-6

I have tried to change "iscf" (3 & 5) 
                       "nband" (4 & 6)
                       "ionmov" (2 & 3) but no improvement was seen. 
What am I missing ? I will be very glad if anyone informs me. Thank you.