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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
- [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/02/2006
- Re: [abinit-forum] A problem for ABINIT-5.1.4, Bruno Siberchicot, 09/11/2006
- <Possible follow-up(s)>
- Re: [abinit-forum] A problem for ABINIT-5.1.4, mmikami, 09/02/2006
- Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/03/2006
- Re: [abinit-forum] A problem for ABINIT-5.1.4, Masayoshi Mikami, 09/04/2006
- Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/04/2006
- Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, Yong Liu, 09/04/2006
- Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, dylu, 09/04/2006
- Re: Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/07/2006
- Re: Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, Anglade Pierre-Matthieu, 09/07/2006
- Re: Re: Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/13/2006
- Re: Re: Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, Anglade Pierre-Matthieu, 09/13/2006
- Re: Re: Re: Re: Re: Re: [abinit-forum] A problem for ABINIT-5.1.4, septhiroth0629, 09/13/2006
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