[Wien] ask questions
hongbo wang
whb2477 at yahoo.com.cn
Wed Mar 21 09:37:05 CET 2007
Dear users:
When I used the wien2k to look for symmtry of a system,I met a question.Owing to the lattice constant and atom positions that I can given are not very accurate,I can not find the spacegroup of it.
I read the source code of "SRC_sgroup".I think "TOL" is a parameter to control the accuracy ,so I change it bigger. But it can not work.So I do not know what to do! if someone to know it ,please tell me.Thank you in advance!
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