[Wien] number of k-points problem when plotting band structure

[Peter Blaha]

Most likely you have a case.irrep(up/dn) file, which does not fit to the
current output1/up/dn.

Either run x irrep -band -up/dn; or rm case.irrep*


Am 04.11.2011 06:58, schrieb 王静:
> Hi, Sir,
>    When plotting the band structure, I met the tips as follows:
> 
> number of k-points read in case.vector=         101
>   here           1 Ci
>   here          21 Ci
>   here          41 Ci
>   here          61 Ci
>   here          81 Ci
> SPAGH END
> 0.436u 0.127s 0:00.60 91.6%     0+0k 0+0io 0pf+0w
> It occurs in GGA+U whereas it not seen in GGA calculation.
> Any suggestions would be appreciated!
> 
> 
> 	
> 
> 　　　　　　　　wangjingjing at ciac.jl.cn
> 　　　　　　　　　　2011-11-04
> _______________________________________________Wien mailing listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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