# ---------------------------------------------------------------------------
# RECONSTRUCTED anphon input for the 20x20x20 phonon-linewidth run
# (produces BGG_W202020_submit2.{scatter,dos,thermo}).
#
# The input_phdos.txt left in the working directory was overwritten on
# 2016-01-17 by a later Grueneisen-parameter calculation.  Rebuilt from the
# input echo in BGG_W202020_submit2.log (ALAMODE 0.9.0, 2014-12-07), which
# confirms it read the published BGG_cell0_anharm.xml (28674 non-zero FC2).
# ---------------------------------------------------------------------------

&general
PREFIX = BGG_W202020_submit2
MODE = phonons
NKD = 3
KD = Ba Ga Ge
MASS = 137.327 69.723 72.64

FCSXML = BGG_cell0_anharm.xml

EMIN = 0; EMAX = 100; DELTA_E = 0.2
TMIN = 0; TMAX = 500; DT = 100
ISMEAR = -1; EPSILON = 5.0
/

&analysis
PRINTW = 1
/

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

&kpoint
2
20 20 20
/
