[Wien] About VBM (band struct)

[Guan Pengfei]

Dear Prof. and User:

Can someboby help me to check the band struct plotting? The file is too
large to be attached.
why the VBM is not the GAMMA point? if I want the GAMMA-point be the VBM,
how can I do?
I tried to change the struct file, let one of atoms lies on the (0,0,0), but
get the same result!
.struct
ScN-1.633

H   LATTICE,NONEQUIV.ATOMS:  2 194
P63/mmc

RELA
  6.531200  6.531200 10.665450 90.000000 90.000000120.000000

ATOM  -1: X=0.33333333 Y=0.66666666 Z=0.50000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333334 Z=0.00000000
N          NPT=  781  R0=.000100000 RMT=   1.80000   Z:
7.
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666666 Z=0.88150000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333334 Z=0.38150000
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:
21.
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  12      NUMBER OF SYMMETRY OPERATIONS
....

.in1
klist:
GAMMA(0,0,0) - M(1/2,0,0) - K(1/2,1/3,0) - GAMMA(0,0,0) - A(0,0,1/2) -
(1/2,0,1/2) - (1/2,1/3,0)
Thanks a lot!!

-- 
--------------------------------------------------------------------------
Guan Pengfei,  Ph. D
Inst.f. Physics, Tsinghua U, Beijing, China
Phone: +86-010-6218-2756        Mobile: +86-138-1060-9671
Email: miracle.fei at gmail.com
WWW: http://www.phys.tsinghua.edu.cn
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