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

#FCSXML = BGG_FPMD800K_random2_lasso1.xml
FCSXML = BGG_SCPH0_offdiag_10K.xml 
#FCSXML = BGG_gru_-.xml

ISMEAR = -1;
TMIN = 0; TMAX = 1000; DT = 5
BCONNECT = 1
/

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

&kpoint
1
G 0 0 0 M 0 0.5 0.5 101
/

G 0.000 0.000 0.000 X 0.500 0.000 0.000 51
X 0.500 0.000 0.000 M 0.500 0.500 0.000 51
M 0.500 0.500 0.000 G 0.000 0.000 0.000 51
G 0.000 0.000 0.000 R 0.500 0.500 0.500 51
/

&analysis
PRINTVEL = 1
# GRUNEISEN = 1
# NEWFCS = 1; DELTA_A = 0.02
/

