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[lfe11@yahoo.com.tw]

Dear all:

I tried to calculate th optical spectra of siliver cluster,but I couldn't get 
the correct result.So I researched the forum and I got a question about the 
metallic cluster.

I think that the metallic cluster system  shouldn't be metallic system.
So the vatiable occopt should be set to 0~2,and I tried to "trial and error" 
with diemac and diemix.
But the resule didn't change with the variables,and the result is still wrong.
I have no idea what can I  do next? Which variable I can try to add in my 
input file? 

My input file is showed below,any advice would be great.
Thank for your help.

================================================================
###TDDFT of Ag cluster system : Computation of excited states

ndtset 2

#DATASET 1  SCF
iscf1 5 
nband1 33
prtden1 1
getwfk1 0
tolwfr1 1.0d-9

#DATASET 2 TDDFT
getden2 1
tolwfr2 1.0d-9
iscf2 -1
getwfk2 1
nband2 90

#Common
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
nkpt 1
ecut 30.0
ixc 7 

localrdwf 1
boxcenter 0.5 0.448 0.5
td_maxene 0.3
diemac 1.0d0
diemix 0.5d0
nline 30
nstep 300 

natom 6
ntypat 1
typat 6*1
xcart 7.500 11.837 7.50
      4.960 7.4339 7.50
      10.04 7.4339 7.50
      2.646 7.1633 7.50
      7.500 3.2956 7.50
      12.36 3.1633 7.50
znucl 47