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[tlahuicef@yahoo.com]

Hi all of you .
I found a file in this forum about Ag8 cluster.
I tried to run it and i got geometries to far from de ideal i use like input. 
The input geometry got around 2 angstrom distance between atoms.
Can somebody give me an advance?
I USED THE   Troullier-Martins psp for element  Ag
Thanks .

*********************
#Ag Cluster optimization

ndtset 6    
            

localrdwf 1  
tsmear 0.04  
occopt 4     
ionmov 9     
             
iscf 5       
ntime 100    
dtion 100    
nline 10     

friction 0.0006 
mdwall 9.0      
delayperm 200000 
signperm 1      

mditemp1 3000 
mdftemp1 2500 
tolvrs1 1.0d-2

mditemp2 2500
mdftemp2 2000
getxcart2 -1  
getvel2 -1
tolvrs2 1.0d-2

mditemp3 2000
mdftemp3 1500
getxcart3 -1
getvel3 -1
tolvrs3 1.0d-2

mditemp4 1500
mdftemp4 1000
getxcart4 -1
getvel4 -1
tolvrs4 1.0d-2

mditemp5 1000
mdftemp5 500
getxcart5 -1
getvel5 -1
tolvrs5 1.0d-2

mditemp6 500
mdftemp6 0
getxcart6 -1
getvel6 -1
tolvrs6 1.0d-2


nsym 1
kpt 0 0 0     
nkpt 1
acell 3*10.0
rprim 1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
natom 8
typat 8*1 
nband 50
ntypat 1
znucl 47


xcart 5.000000000 4.301809057 7.177053398
7.177053398 5.698190943 5.000000000
5.000000000 7.643092678 6.677619295
2.822946602 5.698190943 5.000000000
5.000000000 7.643092679 3.322380705
3.322380705 2.356907321 5.000000000
5.000000000 4.301809057 2.822946602
6.677619295 2.356907322 5.000000000

ecut 8.0   
nstep 50
*********************
these are the final geometries.
i thought the last one will be close to 2.8 angstrom bond lenght.

xangst1   9.3150245384E+00  2.8825833726E+00 -1.1370023253E+00
             -1.2327689802E+00  4.4018090708E+00 -4.5307884087E+00
              5.2902380086E+00 -1.8710492664E-01  7.7390088979E+00
             -1.4072905290E-01  7.6279277881E+00  7.9444184493E+00
              1.0075861119E+00  3.8936511902E-01 -4.2342247902E+00
             -4.7285208422E+00  1.0169108700E+00 -3.0915316275E+00
              9.1900086044E+00  2.8274051627E+00  4.1837760953E-01
              2.2551237233E+00  9.7407308604E+00  1.9210224737E+00
    xangst2  -1.7597147519E-01  7.3557082760E-01 -4.3471877408E+00
              5.0251176584E+00  5.6298585680E+00  4.4458056089E+00
              6.1766534561E+00  6.5224501318E+00  7.4267124779E-02
              7.5214118582E+00 -4.2789416358E+00  4.4482314886E+00
              3.1476450213E+00  2.1671776176E+00 -2.1722790726E+00
              4.1777001589E+00  6.0304010098E+00  4.6148813974E+00
              9.9960872165E+00  9.1330502948E+00  7.4799724260E+00
             -3.6694522591E+00  5.9420426263E+00 -2.0510616855E+00
    xangst3  -5.6064678553E-01  3.0006755303E-01  7.6745202706E-01
             -2.6626147004E-01  2.9806065524E+00 -4.9550380792E+00
             -1.3634549298E+00  2.4127220630E+01 -2.3748489264E+01
             -2.8048799032E+00 -3.7490925777E+00 -2.4560182529E+00
              4.7403771267E+00 -1.5863322714E+00  8.2363869111E-01
              8.9579167249E+00  3.7196818484E+00 -3.1648497570E+00
              2.2713575357E+00  4.8828781899E+00 -2.5365846535E-01
              1.3761042654E+01 -1.9396231086E+01  2.8489905757E+01
    xangst4   1.8440679677E+00 -1.2086367550E+00  9.9890851036E-01
              7.6878089521E+00  4.3415537412E-01  9.4529124389E+00
              3.9768720365E+00  2.4139806440E+01 -2.3767246406E+01
              5.2255197789E+00  4.7257132569E+00 -2.8401922117E+00
              8.4340626753E+00  9.5808531590E+00  8.7972817531E+00
              7.7774909488E+00  2.3042783152E-02  8.4069624477E+00
              1.6411309376E+00  6.7703765595E-02  4.4829038317E+00
              3.4256600227E+00 -1.9385331162E+01  7.8316011996E+00
    xangst5  -1.6868920644E+00  7.2892610110E+00  2.1652406816E+00
              4.8860744429E+00  7.2147818991E+00  8.8018805233E+00
              3.5983142619E+00  2.4149489548E+01 -2.3886433439E+01
             -1.0699657614E+00 -3.4892323649E+00  8.5898004208E+00
              3.6001859467E+00 -3.7920832784E+00 -4.3312281140E+00
              4.7231897983E-01  2.8358252110E+00 -1.2412275364E+00
              3.6054480296E+00  8.5292495257E+00  7.1033756595E+00
             -3.7922061045E+00 -1.9469580447E+01  6.2366667274E+00
    xangst6   6.2898681111E+00  6.5186230234E+00  1.0185779221E+01
              4.2820313546E+00 -3.6417572323E+00 -2.2010079186E+00
              9.1218893971E+00  2.4241245813E+01 -2.3835529368E+01
              1.8168287211E+00  8.5087200167E+00 -1.0879804021E+00
              1.4919389341E+00 -2.6103708706E+00  9.5907752803E+00
              7.7630375087E+00  9.5191509720E+00  9.4119160487E+00
              9.9995673372E+00  7.9001422169E+00  7.3162636317E+00
             -4.7249864995E+00 -1.9466324744E+01  2.0869386582E+00