Mode=6
0.00 0.001 0.002 0.0 0.0 0.0 0.0 0.0 0.0 0.0                lamda1 lamda2 theta phi
  0.005  2.500
./TBPARAM.NbC
NbC :  B1 phase
B1   7.85
 0.0
 1
  7.85
 0
 2
 4 4 4
FFTF
 1 0.00      0.00      0.00    0 0 0  0.00 0.001
 2 0.50      0.50      0.50    0 0 0  0.002 0.00
NEWSYM=T
LATTIC=1
./spcgrp.fcc
ILAT=F
  999
    1
80  0.000  0.000  0.000  0.5  0.5  0.5 ! GAM - L
