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Re: Re: [abinit-forum] restart job with getcell getxred


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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



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