[Wien] simple question about kgen

翠玉 耿 cygeng77 at yahoo.com.cn
Sat Dec 6 07:31:32 CET 2003


Dear prof.:
 thank you very much. one more question: there is about 100 atoms/unitcell in my system, after input one k-points in the BZ, it generates 2 k-mesh in the IBZ. Is this possible? I post the klist file here: 1    0    0    0    2  1.0 -7.0  1.5         1 k, div: (  2  1  1)
 2    1    0    0    2  1.0
 
PS: my system only  x-direction is periodic, for I add vacuum to y and z direction.
 
Best regards




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