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[<pratik_8mar@yahoo.com>]

dear abinit users

                    i am trying to optimize CdS 10 atom cluster. For the 
parameters given below. It is not able to converge at nstep=100 even.. so is
there any problem with ecut ? even run time is also very long .. so how can i
reduce run time for optimizing this structure.. what should be the appropriate
value of ecut for this system?
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acell 40 40 40
rprim  1 0 0 0 1 0 0 0 1 
ntypat 2
znucl 16 48
typat  2 6*1 3*2
xangst
1.4542761005 1.4542820399 1.4542761005
2.9065216564 2.9065292660 -0.0020529726
2.9065216564 2.9065292660 5.8188963462
2.9065256163 -0.0020411016 2.9065253141
2.9065256163 5.8189082172 2.9065253141
-0.0020532748 2.9065295676 2.9065216564
5.8188960440 2.9065295676 2.9065216564
4.3607977564 4.3608113059 1.4522231278
4.3608017167 1.4522409389 4.3608014140
1.4522228257 4.3608116081 4.3607977564
        
natom 10
diemac 12
toldff 5.0d-4
ionmov 7
ecut  900 ev
 iscf 7
nstep 100
ixc 11
kptopt 0
nkpt 1
kpt 0 0 0
ntime 5
nsym 1
chkprim 0
optcell 0
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