If you search the mailing list archive, you should find that the error
is commonly caused by rounding problems in the atomic positions:
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07944.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06624.html
If you send the struct file, someone might be able to help you further.
On 4/4/2015 8:26 AM, ben amara imen wrote:
Dear All,
my struct file includes 2 atoms
I do Initialization step on WIEN2k (2009) and it is ok
I do again the same step on WIEN2k-11.1 , I have this problem :
*_when runing x symmetry, this message is shown: 2 missing _*
I understood that the second atom is not found , even it is
eliminated from struct.file
what can I do ?
Thank in advance
Best
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