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Re: Re: [abinit-forum] A problem for ABINIT-5.1.4


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  • From: septhiroth0629@hotmail.com
  • To: forum@abinit.org
  • Subject: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4
  • Date: Sun, 3 Sep 2006 07:56:19 +0200

Dear all

First thank for Masayoshi suggest.
This is my input file:


localrdwf 1
occopt 1
diemac 1.0
diemix 0.5
ixc 7

natfix 2
iatfix 1 2
ionmov 3
optcell 1
ntime 100
dilatmx 1.1
acell 3*15
rprim 1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
chkprim 0
nkpt 1

ecut 35.0
ecutsm 0.5
nline 30
nstep 200
toldfe 1.0d-6
tolmxf 5.0d-4

natom 2
nband 6
ntypat 1
typat 2*1
xcart 9.676 7.5 7.5
5.0 7.5 7.5
znucl 13





This is an Al cluster.
The error in log file is:
Error encountered while attempting to allocate a data object. The program
will stop.

Is there any problems in my input file?

Thank for help
W.C Lo



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