[Wien] about klist_band file

[WANG Yuan Xu]

Dear all,

who can tell me about how to get case.klist_band file from Xcrysden? 

I got the file is below information:
#------------------------------------------------------------------------
# This is an XCRYSDEN k-Path File. Here you will find the
# data about the selected special k-point coordinates !!!
#------------------------------------------------------------------------

#------------------------------------------------------------------------
# WARNING: 
#   special k-point coordinates in this file are in "CRYSTAL" 
#   (i.e. fractional) coordinates, which are expressed either 
#   in the basis of "primitive" or "conventional" reciprocal 
#   lattice vectors. See below !!!
#------------------------------------------------------------------------


k-point coordinates are expressed in the basis: 
PRIMITIVE

#
# #-------------------------------------#
# # INTEGER FORM of k-point COORDINATES #
# #-------------------------------------#
#
# some programs want an integer form of k-point coordinates,
# this looks like:
#
# k-point == (M*kx, M*ky, M*kz), where M is an integer multiplier
#
# Actual k-point coordinates are then calculated as:
#
# k-point == 1/M * (M*kx, M*ky, M*kz)
#------------------------------------------------------------------------

Multiplier M: 1

Integer form of k-point coordinates (M*kx,M*ky,M*kz,label):
  0    0    0     A
  1    0    0     B
  1    1    0     C
  0    0    0     D
  0    0    1     E
  1    0    1     F
  1    1    1     G


#
# #----------------------------------#
# # REAL FORM of k-point COORDINATES #
# #----------------------------------#
#
	
Real form of k-point coordinates (kx,ky,kz,label):
   0.0000000000     0.0000000000     0.0000000000     A
   1.0000000000     0.0000000000     0.0000000000     B
   1.0000000000     1.0000000000     0.0000000000     C
   0.0000000000     0.0000000000     0.0000000000     D
   0.0000000000     0.0000000000     1.0000000000     E
   1.0000000000     0.0000000000     1.0000000000     F
   1.0000000000     1.0000000000     1.0000000000     G

#
# #-------------#
# # END of FILE #
# #-------------#
#
	

 				

　　　　　　　　WANG Yuan Xu
　　　　　　　　wyxphy at yahoo.com.cn
　　　　　　　　　　2004-06-30