[Wien] band collapsed at some k-points

Y.Q. Wang yueqin at mail.ustc.edu.cn
Fri Jul 13 04:44:39 CEST 2007


Dear Wien2K users£»
I tried to calculate the band structure of my hcp system without so coupling,
the commands are as follows:
x lapw1 -band -up
x lapw1 -band -dn
x irrep -up
x lapw2 -band -up -qtl
x lapw2 -band -dn -qtl
x spaghetti -up
but the output figure of the band lines collapsed at some points,
Gamma, X and so on, the bandlines just go up and down there,
donot continous with their neighbours. 
Any suggestions? Thanks in advance.

Best regards
Y.Q. Wang




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