[Wien] how to plot continuous band structure for non-symmorphic space group

[Peter Blaha]

Read the UG !

Am 03.12.2011 20:44, schrieb Yundi Quan:
> Hi,
> For non-symmorphic space group, when I tried to the band structure. I always got the following message. Does this message indicate that there is something wrong with my plot?
>   k-point nr           23  not treated with irrep
>   k-point nr           24  not treated with irrep
>   k-point nr           25  not treated with irrep
>   k-point nr           26  not treated with irrep
>   k-point nr           27  not treated with irrep
>   k-point nr           28  not treated with irrep
>   k-point nr           29  not treated with irrep
>   k-point nr           30  not treated with irrep
>   k-point nr           31  not treated with irrep
>   k-point nr           32  not treated with irrep
>   k-point nr           33  not treated with irrep
>   k-point nr           34  not treated with irrep
>   k-point nr           35  not treated with irrep
>   k-point nr           36  not treated with irrep
>   k-point nr           37  not treated with irrep
>   k-point nr           38  not treated with irrep
>
>
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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