[Wien] edge dislocation calculation with FLAPW?

翠玉 耿 cygeng77 at yahoo.com.cn
Fri Oct 10 03:48:02 CEST 2003


Dear all:
        I wonder to know if we can calculate edge dislocation with FLAPW. I think after we selected the supercell, all we should do is to add x-vacuum and y-vacuum, then it is ok. Is it really so simple? Is there anything else I should take into account? Any comment is welcome. Thanks in advance.
best regards



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