[Wien] why some k-points are not treated by irrep?

katrusiat katrusiat at yandex.ru
Thu Feb 21 11:00:50 CET 2008


Dear All,

When I execute 'irrep' program and after that calculate band-structure along certain directions in k-space with 'spaghetti', 'spaghetti' ignores k-points along some directions in k-space giving a massage that 'this or that point not treated with irrep'. I would like to know why this happens and what has to be done to make irrep treat all k-points.

Thanks in advance,

Kateryna Foyevtsova




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