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- From: wyxabinit@yahoo.com
- To: forum@abinit.org
- Subject: Re: Re: [abinit-forum] restart job with getcell getxred
- Date: Tue, 16 Jan 2007 03:43:13 +0100
Dear Prof. Xavier,
Thank you for your reply!
In those example, they do all dataset in one calculation. It has no problem.
For my question, I want to get the xred and xcell from a finished job, i.e.
restart job. ABINIT do not take xred and acell from a finished job when I use
"getcell 1" and "getxred 1". It uses xred and acell in input file(*.in).
I also test the getcell and getxred in a same calculation, if optcell1=0, it
works well. But if optcell1=2, abinis will stop after the first dataset
finished.
Sincerely yours
WANG Y X
- Re: Re: [abinit-forum] restart job with getcell getxred, wyxabinit, 01/16/2007
- Re: [abinit-forum] restart job with getcell getxred, Xavier Gonze, 01/16/2007
- Re: [abinit-forum] restart job with getcell getxred, Y X WANG, 01/17/2007
- Re: [abinit-forum] restart job with getcell getxred, Xavier Gonze, 01/16/2007
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