Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/examples/USER/phonon/1-1D-mono/phonon.log
8a912603a5f0lammm-master-deprecated

Last Change
Raw File

phonon.log
View Options

############################################################
# group name of the atoms under study : all
# total number of atoms in the group : 16
# dimension of the system : 1 D
# number of atoms per unit cell : 1
# dimension of the FFT mesh : 16 x 1 x 1
# number of wait steps before measurement : 500000
# frequency of GFC measurement : 10
# output result after this many measurement: 50000
# number of processors used by this run : 1
############################################################
# mapping information between lattice index and atom id
# nx ny nz nucell
16 1 1 1
# l1 l2 l3 k atom_id
0 0 0 0 1
1 0 0 0 2
2 0 0 0 3
3 0 0 0 4
4 0 0 0 5
5 0 0 0 6
6 0 0 0 7
7 0 0 0 8
8 0 0 0 9
9 0 0 0 10
10 0 0 0 11
11 0 0 0 12
12 0 0 0 13
13 0 0 0 14
14 0 0 0 15
15 0 0 0 16
############################################################
############################################################
# Current time step : 1000000
# Total number of measurements : 50000
# Average temperature of the measurement : 0.00497657
# Boltzmann constant under current units : 1
# basis vector A1 = [1 0 0]
# basis vector A2 = [0 2 0]
# basis vector A3 = [0 0 0.0002]
############################################################
# qx qy qz Phi(q)
0 0 0 0 0
0.0625 0 0 0.167273 0
0.125 0 0 0.607758 0
0.1875 0 0 1.27824 0
0.25 0 0 2.00811 0
0.3125 0 0 2.67802 0
0.375 0 0 3.48112 0
0.4375 0 0 3.7829 0
0.5 0 0 4.014 0
0.5625 0 0 3.7829 0
0.625 0 0 3.48112 0
0.6875 0 0 2.67802 0
0.75 0 0 2.00811 0
0.8125 0 0 1.27824 0
0.875 0 0 0.607758 0
0.9375 0 0 0.167273 0
############################################################
# Current time step : 1500000
# Total number of measurements : 100000
# Average temperature of the measurement : 0.00498233
# Boltzmann constant under current units : 1
# basis vector A1 = [1 0 0]
# basis vector A2 = [0 2 0]
# basis vector A3 = [0 0 0.0002]
############################################################
# qx qy qz Phi(q)
0 0 0 0 0
0.0625 0 0 0.171588 0
0.125 0 0 0.587006 0
0.1875 0 0 1.24373 0
0.25 0 0 1.9907 0
0.3125 0 0 2.71759 0
0.375 0 0 3.39634 0
0.4375 0 0 3.89609 0
0.5 0 0 3.83695 0
0.5625 0 0 3.89609 0
0.625 0 0 3.39634 0
0.6875 0 0 2.71759 0
0.75 0 0 1.9907 0
0.8125 0 0 1.24373 0
0.875 0 0 0.587006 0
0.9375 0 0 0.171588 0
############################################################
# Current time step : 2000000
# Total number of measurements : 150000
# Average temperature of the measurement : 0.00499855
# Boltzmann constant under current units : 1
# basis vector A1 = [1 0 0]
# basis vector A2 = [0 2 0]
# basis vector A3 = [0 0 0.0002]
############################################################
# qx qy qz Phi(q)
0 0 0 0 0
0.0625 0 0 0.165047 0
0.125 0 0 0.595774 0
0.1875 0 0 1.24996 0
0.25 0 0 1.95831 0
0.3125 0 0 2.73508 0
0.375 0 0 3.42181 0
0.4375 0 0 3.88925 0
0.5 0 0 3.90276 0
0.5625 0 0 3.88925 0
0.625 0 0 3.42181 0
0.6875 0 0 2.73508 0
0.75 0 0 1.95831 0
0.8125 0 0 1.24996 0
0.875 0 0 0.595774 0
0.9375 0 0 0.165047 0
c4science · Help