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Update dynamical matrix examples

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2020-06-22 15:26:04 -07:00
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66
examples/USER/phonon/dynamical_matrix_command/Silicon/Si.opt.tersoff
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@ -1,66 +0,0 @@
# Tersoff parameters for various elements and mixtures
# multiple entries can be added to this file, LAMMPS reads the ones it needs
# these entries are in LAMMPS "metal" units:
# A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms
# other quantities are unitless
# Aidan Thompson (athomps at sandia.gov) takes full blame for this
# file. It specifies various potentials published by J. Tersoff for
# silicon, carbon and germanium. Since Tersoff published several
# different silicon potentials, I refer to them using atom types
# Si(B), Si(C) and Si(D). The last two are almost almost identical but
# refer to two different publications. These names should be used in
# the LAMMPS command when the file is invoked. For example:
# pair_coeff * * SiCGe.tersoff Si(B). The Si(D), C and Ge potentials
# can be used pure silicon, pure carbon, pure germanium, binary SiC,
# and binary SiGe, but not binary GeC or ternary SiGeC. LAMMPS will
# generate an error if this file is used with any combination
# involving C and Ge, since there are no entries for the GeC
# interactions (Tersoff did not publish parameters for this
# cross-interaction.)
# format of a single entry (one or more lines):
# element 1, element 2, element 3,
# m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
# The original Tersoff potential for Silicon, Si(B)
# J. Tersoff, PRB, 37, 6991 (1988)
Si(B) Si(B) Si(B) 3.0 1.0 1.3258 4.8381 2.0417 0.0000 22.956
0.33675 1.3258 95.373 3.0 0.2 3.2394 3264.7
# The later Tersoff potential for Silicon, Si(C)
# J. Tersoff, PRB, 38, 9902 (1988)
Si(C) Si(C) Si(C) 3.0 1.0 1.7322 1.0039e5 16.218 -0.59826 0.78734
1.0999e-6 1.7322 471.18 2.85 0.15 2.4799 1830.8
# The later Tersoff potential for Carbon, Silicon, and Germanium
# J. Tersoff, PRB, 39, 5566 (1989) + errata (PRB 41, 3248)
# The Si and C parameters are very close to those in SiC.tersoff
C C C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 2.2119 346.74 1.95 0.15 3.4879 1393.6
Si(D) Si(D) Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.7322 471.18 2.85 0.15 2.4799 1830.8
Ge Ge Ge 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 1.7047 419.23 2.95 0.15 2.4451 1769.0
C Si(D) Si(D) 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 1.5724e-7 1.97205 395.1451 2.3573 0.1527 2.9839 1597.3111
C Si(D) C 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 0.0 0.0 0.0 1.95 0.15 0.0 0.0
C C Si(D) 3.0 1.0 0.0 3.8049e4 4.3484 -0.57058 0.72751 0.0 0.0 0.0 2.3573 0.1527 0.0 0.0
Si(D) C C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.97205 395.1451 2.3573 0.1527 2.9839 1597.3111
Si(D) Si(D) C 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.3573 0.1527 0.0 0.0
Si(D) C Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.85 0.15 0.0 0.0
Si(D) Ge Ge 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 1.1000e-6 1.71845 444.7177 2.8996 0.1500 2.4625 1799.6347
Si(D) Si(D) Ge 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.8996 0.1500 0.0 0.0
Si(D) Ge Si(D) 3.0 1.0 0.0 1.0039e5 16.217 -0.59825 0.78734 0.0 0.0 0.0 2.85 0.15 0.0 0.0
Ge Si(D) Si(D) 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 9.0166e-7 1.71845 444.7177 2.8996 0.1500 2.4625 1799.6347
Ge Si(D) Ge 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0 0.0 0.0 2.95 0.15 0.0 0.0
Ge Ge Si(D) 3.0 1.0 0.0 1.0643e5 15.652 -0.43884 0.75627 0.0 0.0 0.0 2.8996 0.1500 0.0 0.0
# Optimized Tersoff for Carbon: Lindsay and Broido PRB 81, 205441 (2010)
# element 1, element 2, element 3,
# m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A
C(O) C(O) C(O) 3.0 1.0 0.0 3.8049e4 4.3484 -0.930 0.72751 1.5724e-7 2.2119 430.0 1.95 0.15 3.4879 1393.6

2
examples/USER/phonon/dynamical_matrix_command/Silicon/ff-silicon.lmp
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@ -16,4 +16,4 @@ mass ${Si} 28.08550
###########################
pair_style tersoff
pair_coeff * * Si.opt.tersoff Si(D)
pair_coeff * * ../../../../../potentials/SiCGe.tersoff Si(D)

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examples/USER/phonon/dynamical_matrix_command/Silicon/results/dynmat.dat Executable file → Normal file
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-858.96244965 -858.96244934 -1273.17866523
-0.00000046 0.00000006 83.09907322
858.96245026 858.96245041 -1273.17866553
-1276.01088335 861.54715186 -861.62537494
-193.17596632 0.16713991 -0.02106865
-1276.15172701 861.66401376 861.66024356
83.46945641 -0.16730418 0.06100182
-1273.31333507 -858.38273911 -858.96245926
5404.58493280 -3.04507046 -2.81778113
-1276.19189558 -861.66398654 861.58531085
-193.21058250 -0.11920503 0.12012704
861.66401292 -1276.15172617 861.66024257
-0.16730418 83.46945627 0.06100192
861.54715110 -1276.01088167 -861.62537387
0.16713972 -193.17596591 -0.02106965
-858.38273891 -1273.31333542 -858.96245910
-3.04506741 5404.58493142 -2.81778205
-861.66398683 -1276.19189578 861.58531200
-0.11920541 -193.21058250 0.12012674
-861.60900269 861.52691291 -1276.08157152
0.02099737 0.06108917 -193.17561785
861.52691246 -861.60900299 -1276.08157243
0.06108909 0.02099718 -193.17561746
-858.80486827 -858.80486867 -1273.17865256
-2.81780745 -2.81780722 5404.30474364
861.74281375 861.74281365 -1275.71086885
-0.12013460 -0.12013475 83.09915550
83.46959035 -0.09801326 0.00000000
-1274.64156874 859.96385402 860.17328225
-193.17585994 -0.00634034 0.00000031
-1274.64156789 859.96385357 -860.17328072
-193.21062369 -0.11938345 0.00000015
-1276.19187300 -861.66400056 861.74280857
5404.58377637 3.62403189 -0.00000071
-1276.19187285 -861.66400087 -861.74280780
-0.00634065 -193.17585981 -0.00000015
859.96385345 -1274.64156845 -860.17328227
-0.09801307 83.46959066 0.00000092
859.96385342 -1274.64156728 860.17328103
-0.11938399 -193.21062370 0.00000031
-861.66399988 -1276.19187163 861.74280780
3.62403013 5404.58377402 0.00000142
-861.66400079 -1276.19187255 -861.74280803
-0.00000031 -0.00000038 -193.17573821
860.25587448 -860.25587441 -1274.81548871
0.00000000 -0.00000026 -193.17573875
-860.25587388 860.25587456 -1274.81548916
0.00000015 -0.00000009 83.09905855
861.58531164 861.58531156 -1275.71087571
0.00000046 0.00000089 5404.30514766
-861.58531232 -861.58531217 -1275.71087655
2.81780737 2.81780753 5404.30474547
-1276.01088198 861.54713523 861.62537356
83.46945674 -0.16730402 -0.06100344
-1276.15172688 861.66402939 -861.66024402
-193.17596584 0.16713972 0.02106034
-1273.31333552 -858.38273940 858.96245956
-193.21058227 -0.11920503 -0.12012498
-1276.19189573 -861.66398605 -861.58531085
5404.58493188 -3.04506924 2.81779059
861.66402925 -1276.15172686 -861.66024394
0.16713982 -193.17596610 0.02106041
861.54713537 -1276.01088130 861.62537448
-0.16730426 83.46945625 -0.06100350
-858.38273967 -1273.31333570 858.96245987
-0.11920511 -193.21058281 -0.12012514
-861.66398958 -1276.19189780 -861.58531314
-3.04506687 5404.58493417 2.81779303
861.60900299 -861.52691253 -1276.08157236
-0.06108885 -0.02099714 -193.17561830
-861.52691343 861.60900260 -1276.08157198
-0.02099726 -0.06108848 -193.17561792
858.80486782 858.80486829 -1273.17865256
0.12013467 0.12013460 83.09915604
-861.74281406 -861.74281426 -1275.71086942
2.81780737 2.81780737 5404.30474524

47
examples/USER/phonon/dynamical_matrix_command/Silicon/results/out.silicon Executable file → Normal file
View File

@ -1,7 +1,7 @@
LAMMPS (16 Jul 2018)
LAMMPS (15 Jun 2020)
Reading data file ...
orthogonal box = (0 0 0) to (5.431 5.431 5.431)
1 by 2 by 2 MPI processor grid
orthogonal box = (0.0 0.0 0.0) to (5.431 5.431 5.431)
1 by 1 by 1 MPI processor grid
reading atoms ...
8 atoms
Finding 1-2 1-3 1-4 neighbors ...
@ -11,6 +11,9 @@ Finding 1-2 1-3 1-4 neighbors ...
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
special bonds CPU = 4.2e-05 secs
read_data CPU = 0.002 secs
Reading potential file ../../../../../potentials/SiCGe.tersoff with DATE: 2009-03-18
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
@ -23,36 +26,40 @@ Neighbor list info ...
pair build: full/bin
stencil: full/bin/3d
bin: standard
Calculating Dynamical Matrix...
Dynamical Matrix calculation took 0.001183 seconds
Calculating Dynamical Matrix ...
Total # of atoms = 8
Atoms in group = 8
Total dynamical matrix elements = 576
10% 20% 30% 50% 60% 70% 80%
Finished Calculating Dynamical Matrix
Loop time of 1.22396e+06 on 4 procs for 0 steps with 8 atoms
Loop time of 0.000775099 on 1 procs for 48 steps with 8 atoms
0.0% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 5350.544 ns/day, 0.004 hours/ns, 61927.589 timesteps/s
91.3% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.00016781 | 0.00041345 | 0.00051464 | 0.0 | 0.00
Bond | 1.9255e-06 | 2.1775e-06 | 2.4787e-06 | 0.0 | 0.00
Pair | 0.00074148 | 0.00074148 | 0.00074148 | 0.0 | 95.66
Bond | 3.8147e-06 | 3.8147e-06 | 3.8147e-06 | 0.0 | 0.49
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0.00056143 | 0.00066602 | 0.00090865 | 0.0 | 0.00
Comm | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 1.02
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 1.224e+06 | | |100.00
Modify | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.12
Other | | 2.098e-05 | | | 2.71
Nlocal: 2 ave 3 max 1 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 56 ave 57 max 55 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nlocal: 8 ave 8 max 8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 86 ave 86 max 86 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs: 32 ave 48 max 16 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 128
Ave neighs/atom = 16
Ave special neighs/atom = 0
Neighbor list builds = 0
Neighbor list builds = 1
Dangerous builds = 0
Total wall time: 0:00:00

6
examples/USER/phonon/dynamical_matrix_command/python/dynmat.py
View File

@ -9,8 +9,8 @@ import numpy as np
""" LAMMPS VARIABLES """
# data files
infile = "silicon_input_file.lmp"
ff_file = "ff-silicon.lmp"
infile = "../Silicon/silicon_input_file.lmp"
ff_file = "../Silicon/ff-silicon.lmp"
# full output useful for testing
lmp = lammps()
@ -38,5 +38,5 @@ dynmat = dynmat.reshape((dynlen, dynlen))
eigvals, eigvecs = np.linalg.eig(dynmat)
# frequencies in THz
omegas = np.sqrt(np.abs(eigvals))
omegas = np.sqrt(np.abs(eigvals))/2/np.pi
print(omegas)

192
examples/USER/phonon/dynamical_matrix_command/python/results/dynmat.dat Normal file
View File

@ -0,0 +1,192 @@
5409.83472486 3.05075234 0.00000214
-1277.48271855 -863.13225405 -862.89768612
-193.14095469 0.12865732 0.00000061
-1277.48271786 -863.13225450 862.89768520
-193.17613450 -0.23660702 0.00000031
-1276.01089136 861.66402482 -861.60900483
83.46958227 -0.00634221 -0.00000026
-1276.01088968 861.66402284 861.60900330
3.05073556 5409.83419867 0.00000137
-863.24919414 -1277.34161118 -862.97975804
0.11071644 -193.14095221 0.00000015
-863.24919482 -1277.34161057 862.97975774
0.34066372 83.46934579 0.00000015
861.54714972 -1276.15175730 861.52691337
-0.09802844 -193.17585342 -0.00000005
861.54715133 -1276.15175913 -861.52691490
0.00000031 0.00000031 5410.11037330
-862.95611222 -862.92132598 -1277.71824426
-0.00000027 -0.00000023 83.84059068
862.95611161 862.92132537 -1277.71824365
-0.00000015 0.00000006 -193.17559671
-861.62536929 861.66025668 -1276.08157121
0.00000031 -0.00000000 -193.17573662
861.62536952 -861.66025637 -1276.08157175
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-1277.52241409 863.24943335 -862.88111478
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3.04882664 5409.83567981 -2.82007772
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860.17327676 -860.17327637 -1274.81551212
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-1277.34161164 -863.24919490 862.97975758
5409.83419895 3.05073908 0.00000031
-1277.34161248 -863.24919704 -862.97976018
83.46934641 0.34066377 0.00000031
-1276.15175798 861.54714988 861.52691307
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-1276.15175745 861.54714957 -861.52691314
0.12865765 -193.14095472 0.00000000
-863.13225527 -1277.48271931 862.89768673
3.05075511 5409.83472469 -0.00000046
-863.13225489 -1277.48271839 -862.89768612
-0.23660723 -193.17613471 0.00000061
861.66402345 -1276.01089068 -861.60900391
-0.00634202 83.46958197 0.00000012
861.66402314 -1276.01088961 861.60900353
-0.00000015 -0.00000015 83.84059098
862.92132797 862.95611360 -1277.71824533
-0.00000145 -0.00000137 5410.11037498
-862.92132598 -862.95611222 -1277.71824426
-0.00000031 -0.00000009 -193.17559671
861.66025660 -861.62536929 -1276.08157182
0.00000015 0.00000014 -193.17573668
-861.66025615 861.62536929 -1276.08157190
-1277.48270619 -863.24917934 862.95613793
-193.14089264 0.11950070 0.11994149
-1277.34160589 -863.13224892 -862.92133438
5409.83568112 3.04882502 -2.82007598
-1277.52241409 863.24943313 862.88111386
83.46947128 0.16714155 0.06108420
-1274.64157216 859.96383297 -860.25587243
-193.17596164 -0.16730510 -0.02099535
-863.13224825 -1277.34160470 862.92133392
0.11950069 -193.14089248 -0.11994088
-863.24918118 -1277.48270824 -862.95613907
3.04882479 5409.83568081 2.82007857
863.24943366 -1277.52241409 -862.88111386
-0.16730494 -193.17596164 0.02099504
859.96383191 -1274.64157155 860.25587228
0.16714109 83.46947120 -0.06108481
862.89766018 862.97973836 -1277.71823542
-0.11994717 0.11994762 83.84083846
-862.97973940 -862.89766100 -1277.71823603
-2.82004089 2.82004165 5410.11001111
863.11328534 -863.11328473 -1277.34764213
0.06099900 -0.02106019 -193.17561197
-860.17327706 860.17327752 -1274.81551319
0.02106049 -0.06099877 -193.17561212
-193.17613831 0.34066975 0.00000000
-1277.52243217 863.24943252 -863.11331043
83.46934255 -0.23660983 0.00000046
-1277.52243126 863.24943229 863.11330975
5404.58897296 -9.71806756 0.00000046
-1273.31334689 -858.38273326 -858.80488185
-193.21062125 -0.11939087 -0.00000018
-1273.31334666 -858.38273265 858.80488124
-0.23661028 83.46934221 -0.00000038
863.24943259 -1277.52243133 863.11331043
0.34066924 -193.17613846 -0.00000015
863.24943168 -1277.52243072 -863.11330883
-9.71806704 5404.58897205 -0.00000107
-858.38273265 -1273.31334697 -858.80488063
-0.11939101 -193.21062043 0.00000006
-858.38273296 -1273.31334681 858.80488139
0.00000015 0.00000000 -193.17558413
-862.88110730 862.88110699 -1277.34764060
-0.00000001 -0.00000001 -193.17558374
862.88110539 -862.88110516 -1277.34764030
0.00000122 -0.00000264 5404.30470473
-858.96244965 -858.96244934 -1273.17866523
-0.00000046 0.00000006 83.09907322
858.96245026 858.96245041 -1273.17866553
-1276.01088335 861.54715186 -861.62537494
-193.17596632 0.16713991 -0.02106865
-1276.15172701 861.66401376 861.66024356
83.46945641 -0.16730418 0.06100182
-1273.31333507 -858.38273911 -858.96245926
5404.58493280 -3.04507046 -2.81778113
-1276.19189558 -861.66398654 861.58531085
-193.21058250 -0.11920503 0.12012704
861.66401292 -1276.15172617 861.66024257
-0.16730418 83.46945627 0.06100192
861.54715110 -1276.01088167 -861.62537387
0.16713972 -193.17596591 -0.02106965
-858.38273891 -1273.31333542 -858.96245910
-3.04506741 5404.58493142 -2.81778205
-861.66398683 -1276.19189578 861.58531200
-0.11920541 -193.21058250 0.12012674
-861.60900269 861.52691291 -1276.08157152
0.02099737 0.06108917 -193.17561785
861.52691246 -861.60900299 -1276.08157243
0.06108909 0.02099718 -193.17561746
-858.80486827 -858.80486867 -1273.17865256
-2.81780745 -2.81780722 5404.30474364
861.74281375 861.74281365 -1275.71086885
-0.12013460 -0.12013475 83.09915550
83.46959035 -0.09801326 0.00000000
-1274.64156874 859.96385402 860.17328225
-193.17585994 -0.00634034 0.00000031
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-193.21062369 -0.11938345 0.00000015
-1276.19187300 -861.66400056 861.74280857
5404.58377637 3.62403189 -0.00000071
-1276.19187285 -861.66400087 -861.74280780
-0.00634065 -193.17585981 -0.00000015
859.96385345 -1274.64156845 -860.17328227
-0.09801307 83.46959066 0.00000092
859.96385342 -1274.64156728 860.17328103
-0.11938399 -193.21062370 0.00000031
-861.66399988 -1276.19187163 861.74280780
3.62403013 5404.58377402 0.00000142
-861.66400079 -1276.19187255 -861.74280803
-0.00000031 -0.00000038 -193.17573821
860.25587448 -860.25587441 -1274.81548871
0.00000000 -0.00000026 -193.17573875
-860.25587388 860.25587456 -1274.81548916
0.00000015 -0.00000009 83.09905855
861.58531164 861.58531156 -1275.71087571
0.00000046 0.00000089 5404.30514766
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83.46945674 -0.16730402 -0.06100344
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5404.58493188 -3.04506924 2.81779059
861.66402925 -1276.15172686 -861.66024394
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-861.66398958 -1276.19189780 -861.58531314
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861.60900299 -861.52691253 -1276.08157236
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-0.02099726 -0.06108848 -193.17561792
858.80486782 858.80486829 -1273.17865256
0.12013467 0.12013460 83.09915604
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2.81780737 2.81780737 5404.30474524

71
examples/USER/phonon/dynamical_matrix_command/python/results/out.dynamt Normal file
View File

@ -0,0 +1,71 @@
LAMMPS (15 Jun 2020)
Reading data file ...
orthogonal box = (0.0 0.0 0.0) to (5.431 5.431 5.431)
1 by 1 by 1 MPI processor grid
reading atoms ...
8 atoms
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0
special bond factors coul: 0 0 0
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
special bonds CPU = 4.2e-05 secs
read_data CPU = 0.001 secs
Reading potential file ../../../../../potentials/SiCGe.tersoff with DATE: 2009-03-18
Neighbor list info ...
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 4
ghost atom cutoff = 4
binsize = 2, bins = 3 3 3
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair tersoff, perpetual
attributes: full, newton on
pair build: full/bin
stencil: full/bin/3d
bin: standard
Calculating Dynamical Matrix ...
Total # of atoms = 8
Atoms in group = 8
Total dynamical matrix elements = 576
10% 20% 30% 50% 60% 70% 80%[3.34264870e-05 6.09176101e-05 1.72068597e-04 1.60807822e+01
1.60807027e+01 1.60806903e+01 1.48964054e+01 1.49012648e+01
1.49129598e+01 1.49081641e+01 1.48999471e+01 1.49095175e+01
1.21983946e+01 1.21957091e+01 1.22010862e+01 1.22037817e+01
1.22037910e+01 1.22037868e+01 6.89648276e+00 6.89524412e+00
6.89619622e+00 6.89553366e+00 6.89615471e+00 6.89557491e+00]
Finished Calculating Dynamical Matrix
Loop time of 0.000677109 on 1 procs for 48 steps with 8 atoms
Performance: 6124.865 ns/day, 0.004 hours/ns, 70889.645 timesteps/s
91.3% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.00064349 | 0.00064349 | 0.00064349 | 0.0 | 95.04
Bond | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.14
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 1.1683e-05 | 1.1683e-05 | 1.1683e-05 | 0.0 | 1.73
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.14
Other | | 2.003e-05 | | | 2.96
Nlocal: 8 ave 8 max 8 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 86 ave 86 max 86 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 128 ave 128 max 128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 128
Ave neighs/atom = 16
Ave special neighs/atom = 0
Neighbor list builds = 1
Dangerous builds = 0
Total wall time: 0:00:00