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[lfe11@yahoo.com.tw]

Dear all:

I tried to calculate the dielectric properties of silver cluster.
But I can't complete the calculation,and there were not any error 
in log file.The calculation was stopped at dataset 2.

My input files and log files are showed below,can anyone tell me what I can 
do?
Thank for your help


-------------------------------------------------------------------------
ndtset 3

#Dataset 1
iscf1 5
tolvrs1 1.0d-18

#Dataset 2
iscf2 -3
rfelfd2 2
rfdir2 1 1 1
getwfk2 -1
tolwfr2 1.0d-22

#Dataset 3
iscf3 5
getwfk3 -2
getddk3 -1
rfelfd3 3
rfdir3 1 0 0
prtden3 1
tolvrs3 1.0d-8

#Definition of occupation numbers
tsmear 0.04
localrdwf 1
nline 100
 
acell 3*15.0
rprim 1.0 0.0 0.0
      0.0 1.0 0.0 
      0.0 0.0 1.0
kpt 3*0.0

nband 200
nstep 200
ecut 24.0

natom 13
znucl 47
ntypat 1 
typat 13*1           
xcart 7.500000   7.500000    7.500000 
      7.499994   7.500000    12.64903 
      8.923154   3.119974    9.802718 
      3.774124   4.792995    9.802712 
      3.774124   10.207005   9.802712 
      8.923154   11.880026   9.802718 
      12.10543   7.500000    9.802721 
      6.076846   3.119974    5.197282 
      2.894570   7.500000    5.197279 
      6.076846   11.880026   5.197282 
      11.225876  10.207005   5.197288 
      11.225876  4.792995    5.197288 
      7.500006   7.500000    2.350970 
===============================================================================
 loper3 : eigenq array
 Initialisation of the first-order wave-functions :
  ireadwf=   0
 newkpt : in paral mode, only node 0 describes in the main output file the 
copying of wfs.
-P-0000  wfconv :   200 bands set=0 with npw=  18949, for ikpt=   1
-P-0000  leave_test : synchronization done...
 newkpt: loop on k-points done in parallel
 pareigocc : MPI_ALLREDUCE
 

     iter   2DEtotal(Ha)       deltaE(Ha) residm    vres2

 getcut: wavevector=  0.0000  0.0000  0.0000  ngfft=  72  72  72
         ecut(hartree)=     24.000   => boxcut(ratio)=   2.17656
ERROR: 0031-250  task 12: Segmentation fault
ERROR: 0031-250  task 13: Segmentation fault