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Re: [abinit-forum] error on atomic coordinates and space group --------problem solved

From: Jianfeng Zhu <jzhu32@uwo.ca>
To: forum@abinit.org
Subject: Re: [abinit-forum] error on atomic coordinates and space group --------problem solved
Date: Thu, 25 Oct 2007 17:21:57 -0400
Priority: normal

----- Original Message -----
From: Jianfeng Zhu <jzhu32@uwo.ca>
Date: Wednesday, October 24, 2007 10:27 pm
Subject: [abinit-forum] error on atomic coordinates and space group
To: forum@abinit.org

> Hi,
>
> When I start a calculation, the following error shows up:
>
> symatm : ERROR -
> Largest error (above) is so large that either input
> atomic coordinates (xred)
> are wrong or space group symmetry data is wrong.
> Action : correct your input file.
>
> But the space group and the atomic coordinates are from the
> paper, so they should be ok. Have anyone had similar thing
> happened before? If so, could you please tell me how to solve
> it? Thank you very much.
>
> Jianfeng
>

error on atomic coordinates and space group, Jianfeng Zhu, 10/25/2007
- Re: [abinit-forum] error on atomic coordinates and space group --------problem solved, Jianfeng Zhu, 10/25/2007