[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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