# ---------------------------------------------------------------------------
# RECONSTRUCTED anphon input for the PUBLISHED BGG kappa_L (a = 10.954 A).
#
# The input_BTE.txt left in the working directory carries ISOTOPE = 1 and
# belongs to a POST-HOC rerun made on 2014-12-10 at 21:53, which overwrote the
# published .kl file.  The published run used three-phonon scattering ONLY
# (ISOTOPE = 0, see anphon_run.log1-6) and its result is shipped here as
# BGG_666_submit2.kl (originally BGG_666_submit2.kl_bak, saved 21:25).
# This file was rebuilt from the verbatim input echo in anphon_run.log6.
# ---------------------------------------------------------------------------

&general
PREFIX = BGG_666_submit2
MODE = RTA
NKD = 3
KD = Ba Ga Ge
MASS = 137.327 69.723 72.64

FCSXML = BGG_cell0_anharm.xml
TRISYM = 1

ISMEAR = -1; EPSILON = 3.0
TMIN = 0; TMAX = 500; DT = 5
/

&cell
 20.7
  1.0 0.0 0.0
  0.0 1.0 0.0
  0.0 0.0 1.0
/

&kpoint
2
6 6 6
/
