[Wien] [WIEN]Bandstructure calculation

ChiYung, Yam yamcy at yangtze.hku.hk
Thu Feb 19 07:29:40 CET 2004


Dear all WIEN users,

I use the following klist in job.in1 for calculating bandstructure. what 
is the meaning for each column? If I want to change from 20 points to 60 
points for the same range, how should I change the klist ?

R             0    0   20   40  8.0 -0.5  1.5      simple cubic  template
              0    0   19   40 24.0
              0    0   18   40 24.0
              0    0   17   40 12.0
              0    0   16   40 24.0
              0    0   15   40 24.0
              0    0   14   40 12.0
              0    0   13   40 24.0
              0    0   12   40 24.0
LAMBDA        0    0   11   40 12.0
              0    0   10   40 24.0
              0    0    9   40 24.0
              0    0    8   40 24.0
              0    0    7   40 12.0
              0    0    6   40 24.0
              0    0    5   40 24.0
              0    0    4   40 12.0
              0    0    3   40 24.0
              0    0    2   40 24.0
              0    0    1   40 12.0
GAMMA         0    0    0   40 12.0

Thank you very much.

Best regards,
ChiYung, Yam




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