[Wien] HELP ME!!
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Mon Feb 16 13:51:19 CET 2004
> I'm a new wien user.When i run initial_lapw,I have a problem in the step of dstart.The problem is:
> 'ROTDEF'-no symmetry operation found
> 'ROTDEF'-for jatom index 1 3
> 'ROTDEF'-atomposition of jatom 0.8319000 0.6681000 0.3319000
> 'ROTDEF'-atomposition of index 0.3319000 0.8319000 0.6681000
> I don't know how to solove it. Help me!
We need your struct file in order to be able to help you.
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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