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- From: Jianfeng Zhu <jzhu32@uwo.ca>
- To: forum@abinit.org
- Subject: error on atomic coordinates and space group
- Date: Wed, 24 Oct 2007 22:25:35 -0400
- Priority: normal
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
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
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