[Wien] K-point not treated with irrep when calculating band structure
王静
wangjingjing at ciac.jl.cn
Tue Aug 30 02:32:24 CEST 2011
Hi! everyone,
When I am calculating bands structure, the following tips appear after "x spaghetti -up":
number of k-points read in case.vector= 51
k-point nr 1 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
k-point nr 39 not treated with irrep
k-point nr 40 not treated with irrep
k-point nr 41 not treated with irrep
here 30 Cs
SPAGH END
0.228u 0.320s 0:00.56 96.4% 0+0k 0+0io 0pf+0w
Is there something wrong with the .klist_band file? or others?
Could anyone help? Thanks in advance!
J. Wang
wangjingjing at ciac.jl.cn
2011-08-30
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