Mode=3
.005   100
cu_par
Eight-atom copper cluster
5.00
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional displacements
-1  2.5 2.5 2.5  0 0 0
-1  2.5 2.5 -2.5  0 0 0
-1  2.5 -2.5 2.5  0 0 0
-1  2.5 -2.5 -2.5  0 0 0
-1  -2.5 2.5 2.5  0 0 0
-1  -2.5 2.5 -2.5  0 0 0
-1  -2.5 -2.5 2.5  0 0 0
-1  -2.5 -2.5 -2.5  0 0 0
NEWSYM=T                (Construct new k-point mesh)
LATTIC=1
/home/main1/mehl/public_html/static/scripts/spcgrp.default
ILAT=F                (Cartesian coordinate space group file)
-1313
/home/main1/mehl/public_html/static/scripts/fcc/regular.00
Eight-atom copper cluster
4.80
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.4 2.4 2.4  0 0 0
-1  2.4 2.4 -2.4  0 0 0
-1  2.4 -2.4 2.4  0 0 0
-1  2.4 -2.4 -2.4  0 0 0
-1  -2.4 2.4 2.4  0 0 0
-1  -2.4 2.4 -2.4  0 0 0
-1  -2.4 -2.4 2.4  0 0 0
-1  -2.4 -2.4 -2.4  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.60
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.3 2.3 2.3  0 0 0
-1  2.3 2.3 -2.3  0 0 0
-1  2.3 -2.3 2.3  0 0 0
-1  2.3 -2.3 -2.3  0 0 0
-1  -2.3 2.3 2.3  0 0 0
-1  -2.3 2.3 -2.3  0 0 0
-1  -2.3 -2.3 2.3  0 0 0
-1  -2.3 -2.3 -2.3  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.55
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.275 2.275 2.275  0 0 0
-1  2.275 2.275 -2.275  0 0 0
-1  2.275 -2.275 2.275  0 0 0
-1  2.275 -2.275 -2.275  0 0 0
-1  -2.275 2.275 2.275  0 0 0
-1  -2.275 2.275 -2.275  0 0 0
-1  -2.275 -2.275 2.275  0 0 0
-1  -2.275 -2.275 -2.275  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.50
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.250 2.250 2.250  0 0 0
-1  2.250 2.250 -2.250  0 0 0
-1  2.250 -2.250 2.250  0 0 0
-1  2.250 -2.250 -2.250  0 0 0
-1  -2.250 2.250 2.250  0 0 0
-1  -2.250 2.250 -2.250  0 0 0
-1  -2.250 -2.250 2.250  0 0 0
-1  -2.250 -2.250 -2.250  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.40
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.2 2.2 2.2  0 0 0
-1  2.2 2.2 -2.2  0 0 0
-1  2.2 -2.2 2.2  0 0 0
-1  2.2 -2.2 -2.2  0 0 0
-1  -2.2 2.2 2.2  0 0 0
-1  -2.2 2.2 -2.2  0 0 0
-1  -2.2 -2.2 2.2  0 0 0
-1  -2.2 -2.2 -2.2  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.35
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.175 2.175 2.175  0 0 0
-1  2.175 2.175 -2.175  0 0 0
-1  2.175 -2.175 2.175  0 0 0
-1  2.175 -2.175 -2.175  0 0 0
-1  -2.175 2.175 2.175  0 0 0
-1  -2.175 2.175 -2.175  0 0 0
-1  -2.175 -2.175 2.175  0 0 0
-1  -2.175 -2.175 -2.175  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.30
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.15 2.15 2.15  0 0 0
-1  2.15 2.15 -2.15  0 0 0
-1  2.15 -2.15 2.15  0 0 0
-1  2.15 -2.15 -2.15  0 0 0
-1  -2.15 2.15 2.15  0 0 0
-1  -2.15 2.15 -2.15  0 0 0
-1  -2.15 -2.15 2.15  0 0 0
-1  -2.15 -2.15 -2.15  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.20
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.1 2.1 2.1  0 0 0
-1  2.1 2.1 -2.1  0 0 0
-1  2.1 -2.1 2.1  0 0 0
-1  2.1 -2.1 -2.1  0 0 0
-1  -2.1 2.1 2.1  0 0 0
-1  -2.1 2.1 -2.1  0 0 0
-1  -2.1 -2.1 2.1  0 0 0
-1  -2.1 -2.1 -2.1  0 0 0
NEWSYM=F
Eight-atom copper cluster
4.00
 0.00                (No extra electrons in the unit cell)
1
100.0           lattice constant a
0                   Strain parameter type
8               Atoms in the unit cell
1 1 1             search limits
F                            No additional dispalcements
-1  2.0 2.0 2.0  0 0 0
-1  2.0 2.0 -2.0  0 0 0
-1  2.0 -2.0 2.0  0 0 0
-1  2.0 -2.0 -2.0  0 0 0
-1  -2.0 2.0 2.0  0 0 0
-1  -2.0 2.0 -2.0  0 0 0
-1  -2.0 -2.0 2.0  0 0 0
-1  -2.0 -2.0 -2.0  0 0 0
NEWSYM=F