[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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