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c a u c h y - b o r n c o n s t i t u t i v e m o d e l
This program computes the finite deformation constitutive response
of an arbitrary multilattice single crystal. The code is based on
the local quasicontinuum (QC) method (http://qcmethod.org).
The program uses interatomic potentials compatible with the
Knowledgebase of Interatomic Models (KIM) project (https://openkim.org).
Copyright (C) 2015 E. B. Tadmor
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Test calculation: Lattice invariance shear of cubic crystal
**setting factor**
* Default globaltol set to 0.10000E-15
CG global tolerance = 0.10000E-15
**reading material data**
Material name 'Cu(fcc)'
* Warning: for a simple bravais lattice
* Warning: ShuffleOn is reset to ShuffleOn = FALSE
material information
Bravais lattice vectors:
a1 = 0.00000 2.00000 2.00000
a2 = 2.00000 0.00000 2.00000
a3 = 2.00000 2.00000 0.00000
Basis atoms:
Number of basis atoms = 1
spec mass reference shift vector
29 1.00 0.00000 0.00000 0.00000
**reading constitutive information**
KIM Model name: EAM_Dynamo_Mishin_Mehl_Cu__MO_346334655118_004
Maximum cut-off distance: 5.5067860000
**global parameter settings**
Number of spatial dimensions = 3
Number of dofs per node = 3
Number of nodes per element = 4
Shuffles optimization = OFF
Prefer multilattice stress correction = OFF
Optimize F and shuffles concurrently = ACTIVATED
Use preconditioned CG optimization = ACTIVATED
**optimize lattice parameter**
Input lattice vectors
0.0000000000000000 2.0000000000000000 2.0000000000000000
2.0000000000000000 0.0000000000000000 2.0000000000000000
2.0000000000000000 2.0000000000000000 0.0000000000000000
Relaxed lattice vectors
0.00000000000000000000 1.80750003153870753003 1.80750003153870753003
1.80750003153870753003 0.00000000000000000000 1.80750003153870753003
1.80750003153870753003 1.80750003153870753003 0.00000000000000000000
* CB-KIM calculation successfully completed