Hi All,
When we use Siesta to calculate the energyband, the output file contains
the following information:
____________________________________________________________________
# GNUBANDS: Utility for SIESTA to transform bands output into Gnuplot format
#
# Emilio Artacho, Feb. 1999
# --------------------------------------------------------------------------
# E_F = -6.2917
# k_min, k_max = 0.0000 1.7775
# E_min, E_max = -25.7583 15.8287
# Nbands, Nspin, Nk = 8 1 1001
#
# k E
# --------------------------------------------------------------------------
_____________________________________________________________________
My question is that how the 'K_max' is determined or how we get the 'K_max' .
Would anyone give me a help?
As follows, the K_Points in the input file is:
_____________________________________
BandLinesScale pi/a
%block BandLines
1 0.0000 0.0000 0.0000 /GAMMA
500 1.1547 0.6667 0.0000 K
500 0.0000 0.0000 0.0000 /GAMMA
%endblock BandLines
_____________________________________
Best,
--
Liu
