Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:45
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./RbLiSe.save/
file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 69 69 18 4217 4217 610
Max 71 71 19 4221 4221 621
Sum 2501 2501 681 151839 151839 22225
bravais-lattice index = 14
lattice parameter (alat) = 8.7230 a.u.
unit-cell volume = 1075.8354 (a.u.)^3
number of atoms/cell = 6
number of atomic types = 3
number of electrons = 36.00
number of Kohn-Sham states= 44
kinetic-energy cutoff = 103.0000 Ry
charge density cutoff = 412.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 8.722975 celldm(2)= 1.000000 celldm(3)= 1.620884
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.000000 0.000000 )
a(3) = ( 0.000000 0.000000 1.620884 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 1.000000 -0.000000 )
b(3) = ( 0.000000 0.000000 0.616947 )
PseudoPot. # 1 for Se read from file:
/users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 38611c150961c07dbd63be353364166d
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1211 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Li read from file:
/users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF
MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0
Pseudo is Ultrasoft, Zval = 3.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1017 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Rb read from file:
/users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 948b8f0a9070089a35782939cf30e963
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1219 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Se 6.00 78.96000 Se( 1.00)
Li 3.00 6.94100 Li( 1.00)
Rb 9.00 85.46780 Rb( 1.00)
16 Sym. Ops., with inversion, found (12 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 )
( 0 -1 0 ) ( 0.5000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.5000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 5 180 deg rotation - cart. axis [1,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cart. axis [1,-1,0]
cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 )
( -1 0 0 ) ( 0.5000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 )
( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 7 90 deg rotation - cart. axis [0,0,-1]
cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 )
( 1 0 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 8 90 deg rotation - cart. axis [0,0,1]
cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 )
( -1 0 0 ) ( 0.5000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 9 inversion
cryst. s( 9) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 10 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 )
( 0 1 0 ) ( 0.5000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 11 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.5000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 13 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(13) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 )
( 1 0 0 ) ( 0.5000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 )
( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 )
( -1 0 0 ) ( 0.0000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 )
( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 16 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 )
( 1 0 0 ) ( 0.5000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 )
( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
double point group D_4h(4/mmm)
there are 14 classes and 4 irreducible representations
the character table:
E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h
-C2 -2C2' -2C2' -s_h
G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00
G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00
G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00
G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00
2s_v 2s_d
-2s_v -2s_d
G_6+ 0.00 0.00
G_7+ 0.00 0.00
G_6- 0.00 0.00
G_7- 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C4 7 8
90 deg rotation - cart. axis [0,0,-1]
-2C4 -7 -8
90 deg rotation - cart. axis [0,0,-1] E
C2 -C2 2 -2
180 deg rotation - cart. axis [0,0,1]
2C2'-2C2' 3 -3 4 -4
180 deg rotation - cart. axis [0,1,0]
2C2''-2C2' 5 -5 6 -6
180 deg rotation - cart. axis [1,1,0]
i 9
inversion
-i -9
inversion E
2S4 15 16
inv. 90 deg rotation - cart. axis [0,0,-1]
-2S4 -15 -16
inv. 90 deg rotation - cart. axis [0,0,-1] E
s_h -s_h 10 -10
inv. 180 deg rotation - cart. axis [0,0,1]
2s_v-2s_v 11 -11 12 -12
inv. 180 deg rotation - cart. axis [0,1,0]
2s_d-2s_d 13 -13 14 -14
inv. 180 deg rotation - cart. axis [1,1,0]
Cartesian axes
number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0032258
k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0032258
k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0032258
k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0032258
k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0032258
k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0032258
k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032258
k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0032258
k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0032258
k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0032258
k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0032258
k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0032258
k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0032258
k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032258
k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0032258
k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0032258
k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0032258
k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0032258
k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0032258
k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0032258
k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032258
k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0032258
k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0032258
k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0032258
k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0032258
k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0032258
k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0032258
k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032258
k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0032258
k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0032258
k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0032258
k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0032258
k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0032258
k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0032258
k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0032258
k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0032258
k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0032258
k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0032258
k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0032258
k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0032258
k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032258
k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0032258
k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0032258
k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0032258
k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0032258
k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0032258
k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0032258
k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032258
k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0032258
k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0032258
k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0032258
k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0032258
k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0032258
k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0032258
k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258
k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0032258
k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0032258
k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0032258
k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0032258
k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0032258
k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0032258
k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032258
k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0032258
k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0032258
k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0032258
k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0032258
k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0032258
k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0032258
k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258
k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258
k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0032258
k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0032258
k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0032258
k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0032258
k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0032258
k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0032258
k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032258
k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0032258
k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0032258
k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0032258
k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0032258
k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0032258
k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0032258
k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032258
k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0032258
k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0032258
k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0032258
k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0032258
k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0032258
k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0032258
k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032258
k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0032258
k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0032258
k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0032258
k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0032258
k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0032258
k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0032258
k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032258
k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0032258
k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0032258
k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0032258
k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0032258
k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032258
k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0032258
k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032258
k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0032258
k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0032258
k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0032258
k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0032258
k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0032258
k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0032258
k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032258
k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0032258
k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0032258
k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0032258
k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0032258
k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032258
k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0032258
k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 124) = ( 0.0000000 0.0000000 0.0146892), wk = 0.0032258
k( 125) = ( 0.0000000 0.0000000 0.0293784), wk = 0.0032258
k( 126) = ( 0.0000000 0.0000000 0.0440677), wk = 0.0032258
k( 127) = ( 0.0000000 0.0000000 0.0587569), wk = 0.0032258
k( 128) = ( 0.0000000 0.0000000 0.0734461), wk = 0.0032258
k( 129) = ( 0.0000000 0.0000000 0.0881353), wk = 0.0032258
k( 130) = ( 0.0000000 0.0000000 0.1028246), wk = 0.0032258
k( 131) = ( 0.0000000 0.0000000 0.1175138), wk = 0.0032258
k( 132) = ( 0.0000000 0.0000000 0.1322030), wk = 0.0032258
k( 133) = ( 0.0000000 0.0000000 0.1468922), wk = 0.0032258
k( 134) = ( 0.0000000 0.0000000 0.1615814), wk = 0.0032258
k( 135) = ( 0.0000000 0.0000000 0.1762707), wk = 0.0032258
k( 136) = ( 0.0000000 0.0000000 0.1909599), wk = 0.0032258
k( 137) = ( 0.0000000 0.0000000 0.2056491), wk = 0.0032258
k( 138) = ( 0.0000000 0.0000000 0.2203383), wk = 0.0032258
k( 139) = ( 0.0000000 0.0000000 0.2350276), wk = 0.0032258
k( 140) = ( 0.0000000 0.0000000 0.2497168), wk = 0.0032258
k( 141) = ( 0.0000000 0.0000000 0.2644060), wk = 0.0032258
k( 142) = ( 0.0000000 0.0000000 0.2790952), wk = 0.0032258
k( 143) = ( 0.0000000 0.0000000 0.2937845), wk = 0.0032258
k( 144) = ( 0.0000000 0.0000000 0.3084737), wk = 0.0032258
k( 145) = ( 0.0000000 0.0000000 0.3084737), wk = 0.0032258
k( 146) = ( 0.0000000 0.0142857 0.3084737), wk = 0.0032258
k( 147) = ( 0.0000000 0.0285714 0.3084737), wk = 0.0032258
k( 148) = ( 0.0000000 0.0428571 0.3084737), wk = 0.0032258
k( 149) = ( 0.0000000 0.0571429 0.3084737), wk = 0.0032258
k( 150) = ( 0.0000000 0.0714286 0.3084737), wk = 0.0032258
k( 151) = ( 0.0000000 0.0857143 0.3084737), wk = 0.0032258
k( 152) = ( 0.0000000 0.1000000 0.3084737), wk = 0.0032258
k( 153) = ( 0.0000000 0.1142857 0.3084737), wk = 0.0032258
k( 154) = ( 0.0000000 0.1285714 0.3084737), wk = 0.0032258
k( 155) = ( 0.0000000 0.1428571 0.3084737), wk = 0.0032258
k( 156) = ( 0.0000000 0.1571429 0.3084737), wk = 0.0032258
k( 157) = ( 0.0000000 0.1714286 0.3084737), wk = 0.0032258
k( 158) = ( 0.0000000 0.1857143 0.3084737), wk = 0.0032258
k( 159) = ( 0.0000000 0.2000000 0.3084737), wk = 0.0032258
k( 160) = ( 0.0000000 0.2142857 0.3084737), wk = 0.0032258
k( 161) = ( 0.0000000 0.2285714 0.3084737), wk = 0.0032258
k( 162) = ( 0.0000000 0.2428571 0.3084737), wk = 0.0032258
k( 163) = ( 0.0000000 0.2571429 0.3084737), wk = 0.0032258
k( 164) = ( 0.0000000 0.2714286 0.3084737), wk = 0.0032258
k( 165) = ( 0.0000000 0.2857143 0.3084737), wk = 0.0032258
k( 166) = ( 0.0000000 0.3000000 0.3084737), wk = 0.0032258
k( 167) = ( 0.0000000 0.3142857 0.3084737), wk = 0.0032258
k( 168) = ( 0.0000000 0.3285714 0.3084737), wk = 0.0032258
k( 169) = ( 0.0000000 0.3428571 0.3084737), wk = 0.0032258
k( 170) = ( 0.0000000 0.3571429 0.3084737), wk = 0.0032258
k( 171) = ( 0.0000000 0.3714286 0.3084737), wk = 0.0032258
k( 172) = ( 0.0000000 0.3857143 0.3084737), wk = 0.0032258
k( 173) = ( 0.0000000 0.4000000 0.3084737), wk = 0.0032258
k( 174) = ( 0.0000000 0.4142857 0.3084737), wk = 0.0032258
k( 175) = ( 0.0000000 0.4285714 0.3084737), wk = 0.0032258
k( 176) = ( 0.0000000 0.4428571 0.3084737), wk = 0.0032258
k( 177) = ( 0.0000000 0.4571429 0.3084737), wk = 0.0032258
k( 178) = ( 0.0000000 0.4714286 0.3084737), wk = 0.0032258
k( 179) = ( 0.0000000 0.4857143 0.3084737), wk = 0.0032258
k( 180) = ( 0.0000000 0.5000000 0.3084737), wk = 0.0032258
k( 181) = ( 0.0000000 0.5000000 0.3084737), wk = 0.0032258
k( 182) = ( 0.0142857 0.5000000 0.3084737), wk = 0.0032258
k( 183) = ( 0.0285714 0.5000000 0.3084737), wk = 0.0032258
k( 184) = ( 0.0428571 0.5000000 0.3084737), wk = 0.0032258
k( 185) = ( 0.0571429 0.5000000 0.3084737), wk = 0.0032258
k( 186) = ( 0.0714286 0.5000000 0.3084737), wk = 0.0032258
k( 187) = ( 0.0857143 0.5000000 0.3084737), wk = 0.0032258
k( 188) = ( 0.1000000 0.5000000 0.3084737), wk = 0.0032258
k( 189) = ( 0.1142857 0.5000000 0.3084737), wk = 0.0032258
k( 190) = ( 0.1285714 0.5000000 0.3084737), wk = 0.0032258
k( 191) = ( 0.1428571 0.5000000 0.3084737), wk = 0.0032258
k( 192) = ( 0.1571429 0.5000000 0.3084737), wk = 0.0032258
k( 193) = ( 0.1714286 0.5000000 0.3084737), wk = 0.0032258
k( 194) = ( 0.1857143 0.5000000 0.3084737), wk = 0.0032258
k( 195) = ( 0.2000000 0.5000000 0.3084737), wk = 0.0032258
k( 196) = ( 0.2142857 0.5000000 0.3084737), wk = 0.0032258
k( 197) = ( 0.2285714 0.5000000 0.3084737), wk = 0.0032258
k( 198) = ( 0.2428571 0.5000000 0.3084737), wk = 0.0032258
k( 199) = ( 0.2571429 0.5000000 0.3084737), wk = 0.0032258
k( 200) = ( 0.2714286 0.5000000 0.3084737), wk = 0.0032258
k( 201) = ( 0.2857143 0.5000000 0.3084737), wk = 0.0032258
k( 202) = ( 0.3000000 0.5000000 0.3084737), wk = 0.0032258
k( 203) = ( 0.3142857 0.5000000 0.3084737), wk = 0.0032258
k( 204) = ( 0.3285714 0.5000000 0.3084737), wk = 0.0032258
k( 205) = ( 0.3428571 0.5000000 0.3084737), wk = 0.0032258
k( 206) = ( 0.3571429 0.5000000 0.3084737), wk = 0.0032258
k( 207) = ( 0.3714286 0.5000000 0.3084737), wk = 0.0032258
k( 208) = ( 0.3857143 0.5000000 0.3084737), wk = 0.0032258
k( 209) = ( 0.4000000 0.5000000 0.3084737), wk = 0.0032258
k( 210) = ( 0.4142857 0.5000000 0.3084737), wk = 0.0032258
k( 211) = ( 0.4285714 0.5000000 0.3084737), wk = 0.0032258
k( 212) = ( 0.4428571 0.5000000 0.3084737), wk = 0.0032258
k( 213) = ( 0.4571429 0.5000000 0.3084737), wk = 0.0032258
k( 214) = ( 0.4714286 0.5000000 0.3084737), wk = 0.0032258
k( 215) = ( 0.4857143 0.5000000 0.3084737), wk = 0.0032258
k( 216) = ( 0.5000000 0.5000000 0.3084737), wk = 0.0032258
k( 217) = ( 0.5000000 0.5000000 0.3084737), wk = 0.0032258
k( 218) = ( 0.4897959 0.4897959 0.3084737), wk = 0.0032258
k( 219) = ( 0.4795918 0.4795918 0.3084737), wk = 0.0032258
k( 220) = ( 0.4693878 0.4693878 0.3084737), wk = 0.0032258
k( 221) = ( 0.4591837 0.4591837 0.3084737), wk = 0.0032258
k( 222) = ( 0.4489796 0.4489796 0.3084737), wk = 0.0032258
k( 223) = ( 0.4387755 0.4387755 0.3084737), wk = 0.0032258
k( 224) = ( 0.4285714 0.4285714 0.3084737), wk = 0.0032258
k( 225) = ( 0.4183674 0.4183673 0.3084737), wk = 0.0032258
k( 226) = ( 0.4081633 0.4081633 0.3084737), wk = 0.0032258
k( 227) = ( 0.3979592 0.3979592 0.3084737), wk = 0.0032258
k( 228) = ( 0.3877551 0.3877551 0.3084737), wk = 0.0032258
k( 229) = ( 0.3775510 0.3775510 0.3084737), wk = 0.0032258
k( 230) = ( 0.3673469 0.3673469 0.3084737), wk = 0.0032258
k( 231) = ( 0.3571429 0.3571429 0.3084737), wk = 0.0032258
k( 232) = ( 0.3469388 0.3469388 0.3084737), wk = 0.0032258
k( 233) = ( 0.3367347 0.3367347 0.3084737), wk = 0.0032258
k( 234) = ( 0.3265306 0.3265306 0.3084737), wk = 0.0032258
k( 235) = ( 0.3163265 0.3163265 0.3084737), wk = 0.0032258
k( 236) = ( 0.3061224 0.3061224 0.3084737), wk = 0.0032258
k( 237) = ( 0.2959184 0.2959184 0.3084737), wk = 0.0032258
k( 238) = ( 0.2857143 0.2857143 0.3084737), wk = 0.0032258
k( 239) = ( 0.2755102 0.2755102 0.3084737), wk = 0.0032258
k( 240) = ( 0.2653061 0.2653061 0.3084737), wk = 0.0032258
k( 241) = ( 0.2551020 0.2551020 0.3084737), wk = 0.0032258
k( 242) = ( 0.2448980 0.2448980 0.3084737), wk = 0.0032258
k( 243) = ( 0.2346939 0.2346939 0.3084737), wk = 0.0032258
k( 244) = ( 0.2244898 0.2244898 0.3084737), wk = 0.0032258
k( 245) = ( 0.2142857 0.2142857 0.3084737), wk = 0.0032258
k( 246) = ( 0.2040816 0.2040816 0.3084737), wk = 0.0032258
k( 247) = ( 0.1938776 0.1938775 0.3084737), wk = 0.0032258
k( 248) = ( 0.1836735 0.1836735 0.3084737), wk = 0.0032258
k( 249) = ( 0.1734694 0.1734694 0.3084737), wk = 0.0032258
k( 250) = ( 0.1632653 0.1632653 0.3084737), wk = 0.0032258
k( 251) = ( 0.1530612 0.1530612 0.3084737), wk = 0.0032258
k( 252) = ( 0.1428571 0.1428571 0.3084737), wk = 0.0032258
k( 253) = ( 0.1326531 0.1326531 0.3084737), wk = 0.0032258
k( 254) = ( 0.1224490 0.1224490 0.3084737), wk = 0.0032258
k( 255) = ( 0.1122449 0.1122449 0.3084737), wk = 0.0032258
k( 256) = ( 0.1020408 0.1020408 0.3084737), wk = 0.0032258
k( 257) = ( 0.0918367 0.0918367 0.3084737), wk = 0.0032258
k( 258) = ( 0.0816327 0.0816326 0.3084737), wk = 0.0032258
k( 259) = ( 0.0714286 0.0714286 0.3084737), wk = 0.0032258
k( 260) = ( 0.0612245 0.0612245 0.3084737), wk = 0.0032258
k( 261) = ( 0.0510204 0.0510204 0.3084737), wk = 0.0032258
k( 262) = ( 0.0408163 0.0408163 0.3084737), wk = 0.0032258
k( 263) = ( 0.0306122 0.0306122 0.3084737), wk = 0.0032258
k( 264) = ( 0.0204082 0.0204082 0.3084737), wk = 0.0032258
k( 265) = ( 0.0102041 0.0102041 0.3084737), wk = 0.0032258
k( 266) = ( 0.0000000 0.0000000 0.3084737), wk = 0.0032258
k( 267) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 268) = ( 0.0000000 0.5000000 0.0146892), wk = 0.0032258
k( 269) = ( 0.0000000 0.5000000 0.0293784), wk = 0.0032258
k( 270) = ( 0.0000000 0.5000000 0.0440677), wk = 0.0032258
k( 271) = ( 0.0000000 0.5000000 0.0587569), wk = 0.0032258
k( 272) = ( 0.0000000 0.5000000 0.0734461), wk = 0.0032258
k( 273) = ( 0.0000000 0.5000000 0.0881353), wk = 0.0032258
k( 274) = ( 0.0000000 0.5000000 0.1028246), wk = 0.0032258
k( 275) = ( 0.0000000 0.5000000 0.1175138), wk = 0.0032258
k( 276) = ( 0.0000000 0.5000000 0.1322030), wk = 0.0032258
k( 277) = ( 0.0000000 0.5000000 0.1468922), wk = 0.0032258
k( 278) = ( 0.0000000 0.5000000 0.1615814), wk = 0.0032258
k( 279) = ( 0.0000000 0.5000000 0.1762707), wk = 0.0032258
k( 280) = ( 0.0000000 0.5000000 0.1909599), wk = 0.0032258
k( 281) = ( 0.0000000 0.5000000 0.2056491), wk = 0.0032258
k( 282) = ( 0.0000000 0.5000000 0.2203383), wk = 0.0032258
k( 283) = ( 0.0000000 0.5000000 0.2350276), wk = 0.0032258
k( 284) = ( 0.0000000 0.5000000 0.2497168), wk = 0.0032258
k( 285) = ( 0.0000000 0.5000000 0.2644060), wk = 0.0032258
k( 286) = ( 0.0000000 0.5000000 0.2790952), wk = 0.0032258
k( 287) = ( 0.0000000 0.5000000 0.2937845), wk = 0.0032258
k( 288) = ( 0.0000000 0.5000000 0.3084737), wk = 0.0032258
k( 289) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258
k( 290) = ( 0.5000000 0.5000000 0.0146892), wk = 0.0032258
k( 291) = ( 0.5000000 0.5000000 0.0293784), wk = 0.0032258
k( 292) = ( 0.5000000 0.5000000 0.0440677), wk = 0.0032258
k( 293) = ( 0.5000000 0.5000000 0.0587569), wk = 0.0032258
k( 294) = ( 0.5000000 0.5000000 0.0734461), wk = 0.0032258
k( 295) = ( 0.5000000 0.5000000 0.0881353), wk = 0.0032258
k( 296) = ( 0.5000000 0.5000000 0.1028246), wk = 0.0032258
k( 297) = ( 0.5000000 0.5000000 0.1175138), wk = 0.0032258
k( 298) = ( 0.5000000 0.5000000 0.1322030), wk = 0.0032258
k( 299) = ( 0.5000000 0.5000000 0.1468922), wk = 0.0032258
k( 300) = ( 0.5000000 0.5000000 0.1615814), wk = 0.0032258
k( 301) = ( 0.5000000 0.5000000 0.1762707), wk = 0.0032258
k( 302) = ( 0.5000000 0.5000000 0.1909599), wk = 0.0032258
k( 303) = ( 0.5000000 0.5000000 0.2056491), wk = 0.0032258
k( 304) = ( 0.5000000 0.5000000 0.2203383), wk = 0.0032258
k( 305) = ( 0.5000000 0.5000000 0.2350276), wk = 0.0032258
k( 306) = ( 0.5000000 0.5000000 0.2497168), wk = 0.0032258
k( 307) = ( 0.5000000 0.5000000 0.2644060), wk = 0.0032258
k( 308) = ( 0.5000000 0.5000000 0.2790952), wk = 0.0032258
k( 309) = ( 0.5000000 0.5000000 0.2937845), wk = 0.0032258
k( 310) = ( 0.5000000 0.5000000 0.3084737), wk = 0.0032258
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0032258
k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0032258
k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0032258
k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0032258
k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0032258
k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0032258
k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032258
k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0032258
k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0032258
k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0032258
k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0032258
k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0032258
k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0032258
k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032258
k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0032258
k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0032258
k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0032258
k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0032258
k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0032258
k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0032258
k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032258
k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0032258
k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0032258
k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0032258
k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0032258
k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0032258
k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0032258
k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032258
k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0032258
k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0032258
k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0032258
k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0032258
k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0032258
k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0032258
k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0032258
k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0032258
k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0032258
k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0032258
k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0032258
k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0032258
k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032258
k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0032258
k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0032258
k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0032258
k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0032258
k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0032258
k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0032258
k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032258
k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0032258
k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0032258
k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0032258
k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0032258
k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0032258
k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0032258
k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032258
k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0032258
k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0032258
k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0032258
k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0032258
k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0032258
k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0032258
k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032258
k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0032258
k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0032258
k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0032258
k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0032258
k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0032258
k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0032258
k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258
k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258
k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0032258
k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0032258
k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0032258
k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0032258
k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0032258
k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0032258
k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032258
k( 81) = ( 0.4183674 0.4183674 -0.0000000), wk = 0.0032258
k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0032258
k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0032258
k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0032258
k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0032258
k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0032258
k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032258
k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0032258
k( 89) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0032258
k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0032258
k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0032258
k( 92) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0032258
k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0032258
k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032258
k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0032258
k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0032258
k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0032258
k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0032258
k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0032258
k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0032258
k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032258
k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0032258
k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0032258
k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0032258
k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0032258
k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0032258
k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0032258
k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032258
k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0032258
k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0032258
k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0032258
k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0032258
k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0032258
k( 114) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0032258
k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032258
k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0032258
k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0032258
k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0032258
k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0032258
k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0032258
k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0032258
k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 124) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0032258
k( 125) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0032258
k( 126) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0032258
k( 127) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0032258
k( 128) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0032258
k( 129) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0032258
k( 130) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032258
k( 131) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0032258
k( 132) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0032258
k( 133) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0032258
k( 134) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0032258
k( 135) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0032258
k( 136) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0032258
k( 137) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032258
k( 138) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0032258
k( 139) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0032258
k( 140) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0032258
k( 141) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0032258
k( 142) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0032258
k( 143) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0032258
k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258
k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258
k( 146) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0032258
k( 147) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0032258
k( 148) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0032258
k( 149) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0032258
k( 150) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0032258
k( 151) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0032258
k( 152) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0032258
k( 153) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0032258
k( 154) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0032258
k( 155) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0032258
k( 156) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0032258
k( 157) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0032258
k( 158) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0032258
k( 159) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0032258
k( 160) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0032258
k( 161) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0032258
k( 162) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0032258
k( 163) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0032258
k( 164) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0032258
k( 165) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0032258
k( 166) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0032258
k( 167) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0032258
k( 168) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0032258
k( 169) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0032258
k( 170) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0032258
k( 171) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0032258
k( 172) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0032258
k( 173) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0032258
k( 174) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0032258
k( 175) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0032258
k( 176) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0032258
k( 177) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0032258
k( 178) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0032258
k( 179) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0032258
k( 180) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258
k( 181) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258
k( 182) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0032258
k( 183) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0032258
k( 184) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0032258
k( 185) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0032258
k( 186) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0032258
k( 187) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0032258
k( 188) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0032258
k( 189) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0032258
k( 190) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0032258
k( 191) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0032258
k( 192) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0032258
k( 193) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0032258
k( 194) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0032258
k( 195) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0032258
k( 196) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0032258
k( 197) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0032258
k( 198) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0032258
k( 199) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0032258
k( 200) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0032258
k( 201) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0032258
k( 202) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0032258
k( 203) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0032258
k( 204) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0032258
k( 205) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0032258
k( 206) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0032258
k( 207) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0032258
k( 208) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0032258
k( 209) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0032258
k( 210) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0032258
k( 211) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0032258
k( 212) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0032258
k( 213) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0032258
k( 214) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0032258
k( 215) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0032258
k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 218) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0032258
k( 219) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0032258
k( 220) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0032258
k( 221) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0032258
k( 222) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0032258
k( 223) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0032258
k( 224) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0032258
k( 225) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0032258
k( 226) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0032258
k( 227) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0032258
k( 228) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0032258
k( 229) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0032258
k( 230) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0032258
k( 231) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0032258
k( 232) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0032258
k( 233) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0032258
k( 234) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0032258
k( 235) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0032258
k( 236) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0032258
k( 237) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0032258
k( 238) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0032258
k( 239) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0032258
k( 240) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0032258
k( 241) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0032258
k( 242) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0032258
k( 243) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0032258
k( 244) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0032258
k( 245) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0032258
k( 246) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0032258
k( 247) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0032258
k( 248) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0032258
k( 249) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0032258
k( 250) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0032258
k( 251) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0032258
k( 252) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0032258
k( 253) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0032258
k( 254) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0032258
k( 255) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0032258
k( 256) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0032258
k( 257) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0032258
k( 258) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0032258
k( 259) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0032258
k( 260) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0032258
k( 261) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0032258
k( 262) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0032258
k( 263) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0032258
k( 264) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0032258
k( 265) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0032258
k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258
k( 267) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032258
k( 268) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0032258
k( 269) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0032258
k( 270) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0032258
k( 271) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0032258
k( 272) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0032258
k( 273) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0032258
k( 274) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0032258
k( 275) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0032258
k( 276) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0032258
k( 277) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0032258
k( 278) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0032258
k( 279) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0032258
k( 280) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0032258
k( 281) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0032258
k( 282) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0032258
k( 283) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0032258
k( 284) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0032258
k( 285) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0032258
k( 286) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0032258
k( 287) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0032258
k( 288) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258
k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032258
k( 290) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0032258
k( 291) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0032258
k( 292) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0032258
k( 293) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0032258
k( 294) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0032258
k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0032258
k( 296) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0032258
k( 297) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0032258
k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0032258
k( 299) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0032258
k( 300) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0032258
k( 301) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0032258
k( 302) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0032258
k( 303) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0032258
k( 304) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0032258
k( 305) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0032258
k( 306) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0032258
k( 307) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0032258
k( 308) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0032258
k( 309) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0032258
k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
Dense grid: 151839 G-vectors FFT dimensions: ( 60, 60, 96)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.71 Mb ( 1064, 44)
NL pseudopotentials 1.01 Mb ( 532, 124)
Each V/rho on FFT grid 0.16 Mb ( 10800)
Each G-vector array 0.03 Mb ( 4219)
G-vector shells 0.01 Mb ( 1893)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 2.86 Mb ( 1064, 176)
Each subspace H/S matrix 0.03 Mb ( 44, 44)
Each <psi_i|beta_j> matrix 0.17 Mb ( 124, 2, 44)
The potential is recalculated from file :
./RbLiSe.save/charge-density.dat
Starting wfc are 68 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 2.8 secs
Computing kpt #: 2
total cpu time spent up to now is 3.9 secs
Computing kpt #: 3
total cpu time spent up to now is 4.8 secs
Computing kpt #: 4
total cpu time spent up to now is 5.8 secs
Computing kpt #: 5
total cpu time spent up to now is 6.6 secs
Computing kpt #: 6
total cpu time spent up to now is 7.5 secs
Computing kpt #: 7
total cpu time spent up to now is 8.5 secs
Computing kpt #: 8
total cpu time spent up to now is 9.4 secs
Computing kpt #: 9
total cpu time spent up to now is 10.3 secs
Computing kpt #: 10
total cpu time spent up to now is 11.1 secs
Computing kpt #: 11
total cpu time spent up to now is 12.0 secs
Computing kpt #: 12
total cpu time spent up to now is 12.8 secs
Computing kpt #: 13
total cpu time spent up to now is 13.7 secs
Computing kpt #: 14
total cpu time spent up to now is 14.6 secs
Computing kpt #: 15
total cpu time spent up to now is 15.4 secs
Computing kpt #: 16
total cpu time spent up to now is 16.3 secs
Computing kpt #: 17
total cpu time spent up to now is 17.1 secs
Computing kpt #: 18
total cpu time spent up to now is 18.0 secs
Computing kpt #: 19
total cpu time spent up to now is 18.9 secs
Computing kpt #: 20
total cpu time spent up to now is 19.7 secs
Computing kpt #: 21
total cpu time spent up to now is 20.6 secs
Computing kpt #: 22
total cpu time spent up to now is 21.5 secs
Computing kpt #: 23
total cpu time spent up to now is 22.3 secs
Computing kpt #: 24
total cpu time spent up to now is 23.2 secs
Computing kpt #: 25
total cpu time spent up to now is 24.1 secs
Computing kpt #: 26
total cpu time spent up to now is 25.0 secs
Computing kpt #: 27
total cpu time spent up to now is 26.0 secs
Computing kpt #: 28
total cpu time spent up to now is 27.1 secs
Computing kpt #: 29
total cpu time spent up to now is 28.5 secs
Computing kpt #: 30
total cpu time spent up to now is 29.6 secs
Computing kpt #: 31
total cpu time spent up to now is 30.6 secs
Computing kpt #: 32
total cpu time spent up to now is 31.7 secs
Computing kpt #: 33
total cpu time spent up to now is 32.7 secs
Computing kpt #: 34
total cpu time spent up to now is 33.7 secs
Computing kpt #: 35
total cpu time spent up to now is 34.6 secs
Computing kpt #: 36
total cpu time spent up to now is 35.5 secs
Computing kpt #: 37
total cpu time spent up to now is 36.4 secs
Computing kpt #: 38
total cpu time spent up to now is 37.3 secs
Computing kpt #: 39
total cpu time spent up to now is 38.2 secs
Computing kpt #: 40
total cpu time spent up to now is 39.0 secs
Computing kpt #: 41
total cpu time spent up to now is 39.9 secs
Computing kpt #: 42
total cpu time spent up to now is 40.8 secs
Computing kpt #: 43
total cpu time spent up to now is 41.6 secs
Computing kpt #: 44
total cpu time spent up to now is 42.5 secs
Computing kpt #: 45
total cpu time spent up to now is 43.4 secs
Computing kpt #: 46
total cpu time spent up to now is 44.2 secs
Computing kpt #: 47
total cpu time spent up to now is 45.1 secs
Computing kpt #: 48
total cpu time spent up to now is 45.9 secs
Computing kpt #: 49
total cpu time spent up to now is 46.8 secs
Computing kpt #: 50
total cpu time spent up to now is 47.6 secs
Computing kpt #: 51
total cpu time spent up to now is 48.5 secs
Computing kpt #: 52
total cpu time spent up to now is 49.3 secs
Computing kpt #: 53
total cpu time spent up to now is 50.1 secs
Computing kpt #: 54
total cpu time spent up to now is 50.9 secs
Computing kpt #: 55
total cpu time spent up to now is 51.7 secs
Computing kpt #: 56
total cpu time spent up to now is 52.5 secs
Computing kpt #: 57
total cpu time spent up to now is 53.4 secs
Computing kpt #: 58
total cpu time spent up to now is 54.1 secs
Computing kpt #: 59
total cpu time spent up to now is 54.9 secs
Computing kpt #: 60
total cpu time spent up to now is 55.7 secs
Computing kpt #: 61
total cpu time spent up to now is 56.5 secs
Computing kpt #: 62
total cpu time spent up to now is 57.3 secs
Computing kpt #: 63
total cpu time spent up to now is 58.0 secs
Computing kpt #: 64
total cpu time spent up to now is 58.8 secs
Computing kpt #: 65
total cpu time spent up to now is 59.6 secs
Computing kpt #: 66
total cpu time spent up to now is 60.3 secs
Computing kpt #: 67
total cpu time spent up to now is 61.1 secs
Computing kpt #: 68
total cpu time spent up to now is 61.8 secs
Computing kpt #: 69
total cpu time spent up to now is 62.6 secs
Computing kpt #: 70
total cpu time spent up to now is 63.3 secs
Computing kpt #: 71
total cpu time spent up to now is 64.1 secs
Computing kpt #: 72
total cpu time spent up to now is 64.8 secs
Computing kpt #: 73
total cpu time spent up to now is 65.6 secs
Computing kpt #: 74
total cpu time spent up to now is 66.3 secs
Computing kpt #: 75
total cpu time spent up to now is 67.1 secs
Computing kpt #: 76
total cpu time spent up to now is 67.8 secs
Computing kpt #: 77
total cpu time spent up to now is 68.6 secs
Computing kpt #: 78
total cpu time spent up to now is 69.3 secs
Computing kpt #: 79
total cpu time spent up to now is 70.1 secs
Computing kpt #: 80
total cpu time spent up to now is 70.8 secs
Computing kpt #: 81
total cpu time spent up to now is 71.6 secs
Computing kpt #: 82
total cpu time spent up to now is 72.4 secs
Computing kpt #: 83
total cpu time spent up to now is 73.1 secs
Computing kpt #: 84
total cpu time spent up to now is 73.9 secs
Computing kpt #: 85
total cpu time spent up to now is 74.6 secs
Computing kpt #: 86
total cpu time spent up to now is 75.4 secs
Computing kpt #: 87
total cpu time spent up to now is 76.2 secs
Computing kpt #: 88
total cpu time spent up to now is 77.0 secs
Computing kpt #: 89
total cpu time spent up to now is 77.8 secs
Computing kpt #: 90
total cpu time spent up to now is 78.6 secs
Computing kpt #: 91
total cpu time spent up to now is 79.5 secs
Computing kpt #: 92
total cpu time spent up to now is 80.3 secs
Computing kpt #: 93
total cpu time spent up to now is 81.2 secs
Computing kpt #: 94
total cpu time spent up to now is 82.1 secs
Computing kpt #: 95
total cpu time spent up to now is 82.9 secs
Computing kpt #: 96
total cpu time spent up to now is 83.8 secs
Computing kpt #: 97
total cpu time spent up to now is 84.7 secs
Computing kpt #: 98
total cpu time spent up to now is 85.7 secs
Computing kpt #: 99
total cpu time spent up to now is 86.8 secs
Computing kpt #: 100
total cpu time spent up to now is 87.8 secs
Computing kpt #: 101
total cpu time spent up to now is 88.8 secs
Computing kpt #: 102
total cpu time spent up to now is 89.8 secs
Computing kpt #: 103
total cpu time spent up to now is 90.8 secs
Computing kpt #: 104
total cpu time spent up to now is 91.8 secs
Computing kpt #: 105
total cpu time spent up to now is 92.8 secs
Computing kpt #: 106
total cpu time spent up to now is 93.8 secs
Computing kpt #: 107
total cpu time spent up to now is 94.8 secs
Computing kpt #: 108
total cpu time spent up to now is 95.9 secs
Computing kpt #: 109
total cpu time spent up to now is 96.9 secs
Computing kpt #: 110
total cpu time spent up to now is 97.9 secs
Computing kpt #: 111
total cpu time spent up to now is 98.9 secs
Computing kpt #: 112
total cpu time spent up to now is 99.9 secs
Computing kpt #: 113
total cpu time spent up to now is 100.9 secs
Computing kpt #: 114
total cpu time spent up to now is 101.9 secs
Computing kpt #: 115
total cpu time spent up to now is 102.9 secs
Computing kpt #: 116
total cpu time spent up to now is 103.8 secs
Computing kpt #: 117
total cpu time spent up to now is 104.8 secs
Computing kpt #: 118
total cpu time spent up to now is 105.8 secs
Computing kpt #: 119
total cpu time spent up to now is 106.7 secs
Computing kpt #: 120
total cpu time spent up to now is 107.7 secs
Computing kpt #: 121
total cpu time spent up to now is 108.6 secs
Computing kpt #: 122
total cpu time spent up to now is 109.6 secs
Computing kpt #: 123
total cpu time spent up to now is 110.5 secs
Computing kpt #: 124
total cpu time spent up to now is 111.5 secs
Computing kpt #: 125
total cpu time spent up to now is 112.5 secs
Computing kpt #: 126
total cpu time spent up to now is 113.4 secs
Computing kpt #: 127
total cpu time spent up to now is 114.4 secs
Computing kpt #: 128
total cpu time spent up to now is 115.3 secs
Computing kpt #: 129
total cpu time spent up to now is 116.1 secs
Computing kpt #: 130
total cpu time spent up to now is 116.9 secs
Computing kpt #: 131
total cpu time spent up to now is 117.7 secs
Computing kpt #: 132
total cpu time spent up to now is 118.5 secs
Computing kpt #: 133
total cpu time spent up to now is 119.3 secs
Computing kpt #: 134
total cpu time spent up to now is 120.1 secs
Computing kpt #: 135
total cpu time spent up to now is 120.9 secs
Computing kpt #: 136
total cpu time spent up to now is 121.7 secs
Computing kpt #: 137
total cpu time spent up to now is 122.5 secs
Computing kpt #: 138
total cpu time spent up to now is 123.3 secs
Computing kpt #: 139
total cpu time spent up to now is 124.1 secs
Computing kpt #: 140
total cpu time spent up to now is 124.9 secs
Computing kpt #: 141
total cpu time spent up to now is 125.7 secs
Computing kpt #: 142
total cpu time spent up to now is 126.5 secs
Computing kpt #: 143
total cpu time spent up to now is 127.3 secs
Computing kpt #: 144
total cpu time spent up to now is 128.1 secs
Computing kpt #: 145
total cpu time spent up to now is 128.8 secs
Computing kpt #: 146
total cpu time spent up to now is 129.6 secs
Computing kpt #: 147
total cpu time spent up to now is 130.4 secs
Computing kpt #: 148
total cpu time spent up to now is 131.2 secs
Computing kpt #: 149
total cpu time spent up to now is 132.0 secs
Computing kpt #: 150
total cpu time spent up to now is 132.9 secs
Computing kpt #: 151
total cpu time spent up to now is 133.7 secs
Computing kpt #: 152
total cpu time spent up to now is 134.6 secs
Computing kpt #: 153
total cpu time spent up to now is 135.4 secs
Computing kpt #: 154
total cpu time spent up to now is 136.3 secs
Computing kpt #: 155
total cpu time spent up to now is 137.2 secs
Computing kpt #: 156
total cpu time spent up to now is 138.1 secs
Computing kpt #: 157
total cpu time spent up to now is 139.0 secs
Computing kpt #: 158
total cpu time spent up to now is 140.0 secs
Computing kpt #: 159
total cpu time spent up to now is 140.9 secs
Computing kpt #: 160
total cpu time spent up to now is 141.7 secs
Computing kpt #: 161
total cpu time spent up to now is 142.6 secs
Computing kpt #: 162
total cpu time spent up to now is 143.4 secs
Computing kpt #: 163
total cpu time spent up to now is 144.3 secs
Computing kpt #: 164
total cpu time spent up to now is 145.2 secs
Computing kpt #: 165
total cpu time spent up to now is 146.0 secs
Computing kpt #: 166
total cpu time spent up to now is 146.9 secs
Computing kpt #: 167
total cpu time spent up to now is 147.7 secs
Computing kpt #: 168
total cpu time spent up to now is 148.6 secs
Computing kpt #: 169
total cpu time spent up to now is 149.4 secs
Computing kpt #: 170
total cpu time spent up to now is 150.2 secs
Computing kpt #: 171
total cpu time spent up to now is 151.1 secs
Computing kpt #: 172
total cpu time spent up to now is 151.9 secs
Computing kpt #: 173
total cpu time spent up to now is 152.8 secs
Computing kpt #: 174
total cpu time spent up to now is 153.6 secs
Computing kpt #: 175
total cpu time spent up to now is 154.4 secs
Computing kpt #: 176
total cpu time spent up to now is 155.3 secs
Computing kpt #: 177
total cpu time spent up to now is 156.1 secs
Computing kpt #: 178
total cpu time spent up to now is 156.9 secs
Computing kpt #: 179
total cpu time spent up to now is 157.7 secs
Computing kpt #: 180
total cpu time spent up to now is 158.6 secs
Computing kpt #: 181
total cpu time spent up to now is 159.4 secs
Computing kpt #: 182
total cpu time spent up to now is 160.2 secs
Computing kpt #: 183
total cpu time spent up to now is 161.0 secs
Computing kpt #: 184
total cpu time spent up to now is 161.8 secs
Computing kpt #: 185
total cpu time spent up to now is 162.7 secs
Computing kpt #: 186
total cpu time spent up to now is 163.5 secs
Computing kpt #: 187
total cpu time spent up to now is 164.3 secs
Computing kpt #: 188
total cpu time spent up to now is 165.2 secs
Computing kpt #: 189
total cpu time spent up to now is 166.0 secs
Computing kpt #: 190
total cpu time spent up to now is 166.9 secs
Computing kpt #: 191
total cpu time spent up to now is 167.7 secs
Computing kpt #: 192
total cpu time spent up to now is 168.6 secs
Computing kpt #: 193
total cpu time spent up to now is 169.4 secs
Computing kpt #: 194
total cpu time spent up to now is 170.3 secs
Computing kpt #: 195
total cpu time spent up to now is 171.2 secs
Computing kpt #: 196
total cpu time spent up to now is 172.0 secs
Computing kpt #: 197
total cpu time spent up to now is 172.9 secs
Computing kpt #: 198
total cpu time spent up to now is 173.7 secs
Computing kpt #: 199
total cpu time spent up to now is 174.6 secs
Computing kpt #: 200
total cpu time spent up to now is 175.4 secs
Computing kpt #: 201
total cpu time spent up to now is 176.3 secs
Computing kpt #: 202
total cpu time spent up to now is 177.1 secs
Computing kpt #: 203
total cpu time spent up to now is 177.9 secs
Computing kpt #: 204
total cpu time spent up to now is 178.7 secs
Computing kpt #: 205
total cpu time spent up to now is 179.5 secs
Computing kpt #: 206
total cpu time spent up to now is 180.3 secs
Computing kpt #: 207
total cpu time spent up to now is 181.1 secs
Computing kpt #: 208
total cpu time spent up to now is 181.9 secs
Computing kpt #: 209
total cpu time spent up to now is 182.7 secs
Computing kpt #: 210
total cpu time spent up to now is 183.5 secs
Computing kpt #: 211
total cpu time spent up to now is 184.3 secs
Computing kpt #: 212
total cpu time spent up to now is 185.1 secs
Computing kpt #: 213
total cpu time spent up to now is 185.9 secs
Computing kpt #: 214
total cpu time spent up to now is 186.7 secs
Computing kpt #: 215
total cpu time spent up to now is 187.5 secs
Computing kpt #: 216
total cpu time spent up to now is 188.3 secs
Computing kpt #: 217
total cpu time spent up to now is 189.1 secs
Computing kpt #: 218
total cpu time spent up to now is 189.9 secs
Computing kpt #: 219
total cpu time spent up to now is 190.7 secs
Computing kpt #: 220
total cpu time spent up to now is 191.4 secs
Computing kpt #: 221
total cpu time spent up to now is 192.2 secs
Computing kpt #: 222
total cpu time spent up to now is 193.0 secs
Computing kpt #: 223
total cpu time spent up to now is 193.8 secs
Computing kpt #: 224
total cpu time spent up to now is 194.7 secs
Computing kpt #: 225
total cpu time spent up to now is 195.5 secs
Computing kpt #: 226
total cpu time spent up to now is 196.3 secs
Computing kpt #: 227
total cpu time spent up to now is 197.1 secs
Computing kpt #: 228
total cpu time spent up to now is 198.0 secs
Computing kpt #: 229
total cpu time spent up to now is 198.8 secs
Computing kpt #: 230
total cpu time spent up to now is 199.7 secs
Computing kpt #: 231
total cpu time spent up to now is 200.6 secs
Computing kpt #: 232
total cpu time spent up to now is 201.4 secs
Computing kpt #: 233
total cpu time spent up to now is 202.3 secs
Computing kpt #: 234
total cpu time spent up to now is 203.2 secs
Computing kpt #: 235
total cpu time spent up to now is 204.1 secs
Computing kpt #: 236
total cpu time spent up to now is 205.0 secs
Computing kpt #: 237
total cpu time spent up to now is 205.9 secs
Computing kpt #: 238
total cpu time spent up to now is 206.8 secs
Computing kpt #: 239
total cpu time spent up to now is 207.6 secs
Computing kpt #: 240
total cpu time spent up to now is 208.5 secs
Computing kpt #: 241
total cpu time spent up to now is 209.4 secs
Computing kpt #: 242
total cpu time spent up to now is 210.3 secs
Computing kpt #: 243
total cpu time spent up to now is 211.4 secs
Computing kpt #: 244
total cpu time spent up to now is 212.3 secs
Computing kpt #: 245
total cpu time spent up to now is 213.3 secs
Computing kpt #: 246
total cpu time spent up to now is 214.3 secs
Computing kpt #: 247
total cpu time spent up to now is 215.4 secs
Computing kpt #: 248
total cpu time spent up to now is 216.4 secs
Computing kpt #: 249
total cpu time spent up to now is 217.5 secs
Computing kpt #: 250
total cpu time spent up to now is 218.5 secs
Computing kpt #: 251
total cpu time spent up to now is 219.6 secs
Computing kpt #: 252
total cpu time spent up to now is 220.6 secs
Computing kpt #: 253
total cpu time spent up to now is 221.7 secs
Computing kpt #: 254
total cpu time spent up to now is 222.7 secs
Computing kpt #: 255
total cpu time spent up to now is 223.6 secs
Computing kpt #: 256
total cpu time spent up to now is 224.5 secs
Computing kpt #: 257
total cpu time spent up to now is 225.4 secs
Computing kpt #: 258
total cpu time spent up to now is 226.2 secs
Computing kpt #: 259
total cpu time spent up to now is 227.1 secs
Computing kpt #: 260
total cpu time spent up to now is 227.9 secs
Computing kpt #: 261
total cpu time spent up to now is 228.7 secs
Computing kpt #: 262
total cpu time spent up to now is 229.5 secs
Computing kpt #: 263
total cpu time spent up to now is 230.3 secs
Computing kpt #: 264
total cpu time spent up to now is 231.1 secs
Computing kpt #: 265
total cpu time spent up to now is 231.9 secs
Computing kpt #: 266
total cpu time spent up to now is 232.6 secs
Computing kpt #: 267
total cpu time spent up to now is 233.5 secs
Computing kpt #: 268
total cpu time spent up to now is 234.6 secs
Computing kpt #: 269
total cpu time spent up to now is 235.6 secs
Computing kpt #: 270
total cpu time spent up to now is 236.6 secs
Computing kpt #: 271
total cpu time spent up to now is 237.7 secs
Computing kpt #: 272
total cpu time spent up to now is 238.6 secs
Computing kpt #: 273
total cpu time spent up to now is 239.5 secs
Computing kpt #: 274
total cpu time spent up to now is 240.4 secs
Computing kpt #: 275
total cpu time spent up to now is 241.2 secs
Computing kpt #: 276
total cpu time spent up to now is 242.1 secs
Computing kpt #: 277
total cpu time spent up to now is 243.0 secs
Computing kpt #: 278
total cpu time spent up to now is 243.9 secs
Computing kpt #: 279
total cpu time spent up to now is 244.7 secs
Computing kpt #: 280
total cpu time spent up to now is 245.6 secs
Computing kpt #: 281
total cpu time spent up to now is 246.5 secs
Computing kpt #: 282
total cpu time spent up to now is 247.3 secs
Computing kpt #: 283
total cpu time spent up to now is 248.1 secs
Computing kpt #: 284
total cpu time spent up to now is 249.0 secs
Computing kpt #: 285
total cpu time spent up to now is 249.8 secs
Computing kpt #: 286
total cpu time spent up to now is 250.6 secs
Computing kpt #: 287
total cpu time spent up to now is 251.4 secs
Computing kpt #: 288
total cpu time spent up to now is 252.2 secs
Computing kpt #: 289
total cpu time spent up to now is 253.0 secs
Computing kpt #: 290
total cpu time spent up to now is 253.7 secs
Computing kpt #: 291
total cpu time spent up to now is 254.5 secs
Computing kpt #: 292
total cpu time spent up to now is 255.2 secs
Computing kpt #: 293
total cpu time spent up to now is 255.9 secs
Computing kpt #: 294
total cpu time spent up to now is 256.7 secs
Computing kpt #: 295
total cpu time spent up to now is 257.4 secs
Computing kpt #: 296
total cpu time spent up to now is 258.2 secs
Computing kpt #: 297
total cpu time spent up to now is 258.9 secs
Computing kpt #: 298
total cpu time spent up to now is 259.7 secs
Computing kpt #: 299
total cpu time spent up to now is 260.5 secs
Computing kpt #: 300
total cpu time spent up to now is 261.2 secs
Computing kpt #: 301
total cpu time spent up to now is 262.0 secs
Computing kpt #: 302
total cpu time spent up to now is 262.7 secs
Computing kpt #: 303
total cpu time spent up to now is 263.5 secs
Computing kpt #: 304
total cpu time spent up to now is 264.3 secs
Computing kpt #: 305
total cpu time spent up to now is 265.1 secs
Computing kpt #: 306
total cpu time spent up to now is 265.8 secs
Computing kpt #: 307
total cpu time spent up to now is 266.6 secs
Computing kpt #: 308
total cpu time spent up to now is 267.4 secs
Computing kpt #: 309
total cpu time spent up to now is 268.2 secs
Computing kpt #: 310
total cpu time spent up to now is 269.0 secs
ethr = 2.78E-08, avg # of iterations = 18.0
total cpu time spent up to now is 269.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 18897 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3467 -7.3467 -7.2331 -7.2331 -7.0022 -7.0022 -6.7563 -6.7563
-6.4137 -6.4137 -6.4111 -6.4111 -6.1991 -6.1991 -6.0490 -6.0490
2.3751 2.3751 2.7982 2.7982 2.9711 2.9711 3.4354 3.4354
3.7931 3.7931 3.9285 3.9285 6.2657 6.2657 7.2494 7.2494
7.8900 7.8900 8.3370 8.3370
k = 0.0000 0.0143-0.0000 ( 18923 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4504 -22.4504
-7.3473 -7.3473 -7.2326 -7.2326 -7.0034 -7.0034 -6.7556 -6.7556
-6.4142 -6.4142 -6.4104 -6.4104 -6.1984 -6.1984 -6.0491 -6.0491
2.3757 2.3757 2.7967 2.7967 2.9689 2.9689 3.4367 3.4367
3.7917 3.7917 3.9254 3.9254 6.2711 6.2711 7.2518 7.2518
7.8908 7.8908 8.3403 8.3403
k = 0.0000 0.0286-0.0000 ( 18931 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4505 -22.4505
-7.3492 -7.3492 -7.2312 -7.2312 -7.0070 -7.0070 -6.7537 -6.7537
-6.4156 -6.4156 -6.4084 -6.4084 -6.1965 -6.1965 -6.0493 -6.0493
2.3776 2.3776 2.7918 2.7918 2.9629 2.9629 3.4405 3.4405
3.7875 3.7875 3.9168 3.9168 6.2870 6.2870 7.2590 7.2590
7.8932 7.8932 8.3502 8.3502
k = 0.0000 0.0429-0.0000 ( 18927 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5007 -22.5007 -22.4506 -22.4506
-7.3522 -7.3522 -7.2291 -7.2291 -7.0127 -7.0127 -6.7508 -6.7508
-6.4178 -6.4178 -6.4052 -6.4052 -6.1935 -6.1935 -6.0496 -6.0496
2.3807 2.3807 2.7831 2.7831 2.9545 2.9545 3.4453 3.4453
3.7801 3.7801 3.9037 3.9037 6.3130 6.3130 7.2710 7.2710
7.8971 7.8971 8.3665 8.3665
k = 0.0000 0.0571-0.0000 ( 18943 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.5005 -22.5005 -22.4507 -22.4507
-7.3562 -7.3562 -7.2264 -7.2264 -7.0201 -7.0201 -6.7471 -6.7471
-6.4208 -6.4208 -6.4006 -6.4006 -6.1895 -6.1895 -6.0501 -6.0501
2.3848 2.3848 2.7698 2.7698 2.9455 2.9455 3.4494 3.4494
3.7694 3.7694 3.8881 3.8881 6.3484 6.3484 7.2877 7.2877
7.9022 7.9022 8.3889 8.3889
k = 0.0000 0.0714-0.0000 ( 18955 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.5002 -22.5002 -22.4508 -22.4508
-7.3610 -7.3610 -7.2234 -7.2234 -7.0290 -7.0290 -6.7429 -6.7429
-6.4242 -6.4242 -6.3949 -6.3949 -6.1846 -6.1846 -6.0505 -6.0505
2.3900 2.3900 2.7514 2.7514 2.9376 2.9376 3.4505 3.4505
3.7552 3.7552 3.8721 3.8721 6.3922 6.3922 7.3087 7.3087
7.9084 7.9084 8.4172 8.4172
k = 0.0000 0.0857-0.0000 ( 18959 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4998 -22.4998 -22.4510 -22.4510
-7.3666 -7.3666 -7.2203 -7.2203 -7.0387 -7.0387 -6.7385 -6.7385
-6.4280 -6.4280 -6.3880 -6.3880 -6.1793 -6.1793 -6.0510 -6.0510
2.3959 2.3959 2.7280 2.7280 2.9320 2.9320 3.4461 3.4461
3.7385 3.7385 3.8575 3.8575 6.4436 6.4436 7.3340 7.3340
7.9152 7.9152 8.4507 8.4507
k = 0.0000 0.1000-0.0000 ( 18966 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4993 -22.4993 -22.4511 -22.4511
-7.3727 -7.3727 -7.2176 -7.2176 -7.0487 -7.0487 -6.7341 -6.7341
-6.4319 -6.4319 -6.3801 -6.3801 -6.1736 -6.1736 -6.0514 -6.0514
2.4024 2.4024 2.7005 2.7005 2.9290 2.9290 3.4336 3.4336
3.7210 3.7210 3.8453 3.8453 6.5014 6.5014 7.3633 7.3633
7.9224 7.9224 8.4887 8.4887
k = 0.0000 0.1143-0.0000 ( 18974 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4988 -22.4988 -22.4514 -22.4514
-7.3792 -7.3792 -7.2155 -7.2155 -7.0586 -7.0586 -6.7300 -6.7300
-6.4358 -6.4358 -6.3713 -6.3713 -6.1679 -6.1679 -6.0516 -6.0516
2.4089 2.4089 2.6703 2.6703 2.9285 2.9285 3.4113 3.4113
3.7048 3.7048 3.8355 3.8355 6.5648 6.5648 7.3961 7.3961
7.9297 7.9297 8.5304 8.5304
k = 0.0000 0.1286-0.0000 ( 18972 PWs) bands (ev):
-40.9563 -40.9563 -40.9508 -40.9508 -22.4982 -22.4982 -22.4516 -22.4516
-7.3861 -7.3861 -7.2147 -7.2147 -7.0675 -7.0675 -6.7263 -6.7263
-6.4395 -6.4395 -6.3616 -6.3616 -6.1623 -6.1623 -6.0515 -6.0515
2.4146 2.4146 2.6389 2.6389 2.9300 2.9300 3.3792 3.3792
3.6907 3.6907 3.8281 3.8281 6.6329 6.6329 7.4321 7.4321
7.9369 7.9369 8.5747 8.5747
k = 0.0000 0.1429-0.0000 ( 18970 PWs) bands (ev):
-40.9563 -40.9563 -40.9508 -40.9508 -22.4976 -22.4976 -22.4519 -22.4519
-7.3933 -7.3933 -7.2156 -7.2156 -7.0749 -7.0749 -6.7233 -6.7233
-6.4428 -6.4428 -6.3512 -6.3512 -6.1571 -6.1571 -6.0510 -6.0510
2.4182 2.4182 2.6086 2.6086 2.9332 2.9332 3.3385 3.3385
3.6783 3.6783 3.8226 3.8226 6.7049 6.7049 7.4708 7.4708
7.9437 7.9437 8.6201 8.6201
k = 0.0000 0.1571-0.0000 ( 18974 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4968 -22.4968 -22.4522 -22.4522
-7.4006 -7.4006 -7.2188 -7.2188 -7.0801 -7.0801 -6.7209 -6.7209
-6.4457 -6.4457 -6.3402 -6.3402 -6.1525 -6.1525 -6.0500 -6.0500
2.4175 2.4175 2.5820 2.5820 2.9379 2.9379 3.2915 3.2915
3.6666 3.6666 3.8186 3.8186 6.7802 6.7802 7.5114 7.5114
7.9505 7.9505 8.6650 8.6650
k = 0.0000 0.1714-0.0000 ( 18984 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4961 -22.4961 -22.4526 -22.4526
-7.4079 -7.4079 -7.2243 -7.2243 -7.0829 -7.0829 -6.7194 -6.7194
-6.4479 -6.4479 -6.3289 -6.3289 -6.1486 -6.1486 -6.0483 -6.0483
2.4098 2.4098 2.5623 2.5623 2.9438 2.9438 3.2405 3.2405
3.6545 3.6545 3.8157 3.8157 6.8582 6.8582 7.5530 7.5530
7.9577 7.9577 8.7073 8.7073
k = 0.0000 0.1857-0.0000 ( 18984 PWs) bands (ev):
-40.9561 -40.9561 -40.9510 -40.9510 -22.4953 -22.4953 -22.4530 -22.4530
-7.4154 -7.4154 -7.2323 -7.2323 -7.0830 -7.0830 -6.7186 -6.7186
-6.4495 -6.4495 -6.3173 -6.3173 -6.1456 -6.1456 -6.0460 -6.0460
2.3930 2.3930 2.5514 2.5514 2.9507 2.9507 3.1876 3.1876
3.6415 3.6415 3.8131 3.8131 6.9384 6.9384 7.5945 7.5945
7.9662 7.9662 8.7451 8.7451
k = 0.0000 0.2000-0.0000 ( 18970 PWs) bands (ev):
-40.9560 -40.9560 -40.9511 -40.9511 -22.4944 -22.4944 -22.4534 -22.4534
-7.4227 -7.4227 -7.2424 -7.2424 -7.0808 -7.0808 -6.7188 -6.7188
-6.4503 -6.4503 -6.3057 -6.3057 -6.1434 -6.1434 -6.0431 -6.0431
2.3685 2.3685 2.5480 2.5480 2.9583 2.9583 3.1349 3.1349
3.6272 3.6272 3.8105 3.8105 7.0204 7.0204 7.6343 7.6343
7.9775 7.9775 8.7762 8.7762
k = 0.0000 0.2143-0.0000 ( 18958 PWs) bands (ev):
-40.9559 -40.9559 -40.9511 -40.9511 -22.4935 -22.4935 -22.4538 -22.4538
-7.4300 -7.4300 -7.2542 -7.2542 -7.0765 -7.0765 -6.7198 -6.7198
-6.4504 -6.4504 -6.2944 -6.2944 -6.1418 -6.1418 -6.0396 -6.0396
2.3391 2.3391 2.5487 2.5487 2.9662 2.9662 3.0845 3.0845
3.6117 3.6117 3.8070 3.8070 7.1039 7.1039 7.6706 7.6706
7.9935 7.9935 8.7987 8.7987
k = 0.0000 0.2286-0.0000 ( 18950 PWs) bands (ev):
-40.9558 -40.9558 -40.9512 -40.9512 -22.4925 -22.4925 -22.4543 -22.4543
-7.4371 -7.4371 -7.2672 -7.2672 -7.0707 -7.0707 -6.7217 -6.7217
-6.4497 -6.4497 -6.2835 -6.2835 -6.1406 -6.1406 -6.0356 -6.0356
2.3074 2.3074 2.5501 2.5501 2.9727 2.9727 3.0398 3.0398
3.5950 3.5950 3.8024 3.8024 7.1886 7.1886 7.7015 7.7015
8.0162 8.0162 8.8115 8.8115
k = 0.0000 0.2429-0.0000 ( 18964 PWs) bands (ev):
-40.9557 -40.9557 -40.9513 -40.9513 -22.4915 -22.4915 -22.4548 -22.4548
-7.4441 -7.4441 -7.2809 -7.2809 -7.0636 -7.0636 -6.7244 -6.7244
-6.4481 -6.4481 -6.2733 -6.2733 -6.1396 -6.1396 -6.0313 -6.0313
2.2751 2.2751 2.5493 2.5493 2.9693 2.9693 3.0116 3.0116
3.5773 3.5773 3.7962 3.7962 7.2742 7.2742 7.7259 7.7259
8.0470 8.0470 8.8143 8.8143
k = 0.0000 0.2571-0.0000 ( 18972 PWs) bands (ev):
-40.9556 -40.9556 -40.9514 -40.9514 -22.4904 -22.4904 -22.4554 -22.4554
-7.4507 -7.4507 -7.2952 -7.2952 -7.0556 -7.0556 -6.7280 -6.7280
-6.4458 -6.4458 -6.2643 -6.2643 -6.1384 -6.1384 -6.0269 -6.0269
2.2431 2.2431 2.5438 2.5438 2.9470 2.9470 3.0109 3.0109
3.5587 3.5587 3.7882 3.7882 7.3603 7.3603 7.7437 7.7437
8.0861 8.0861 8.8075 8.8075
k = 0.0000 0.2714-0.0000 ( 18976 PWs) bands (ev):
-40.9555 -40.9555 -40.9515 -40.9515 -22.4894 -22.4894 -22.4560 -22.4560
-7.4570 -7.4570 -7.3096 -7.3096 -7.0467 -7.0467 -6.7323 -6.7323
-6.4427 -6.4427 -6.2569 -6.2569 -6.1364 -6.1364 -6.0225 -6.0225
2.2123 2.2123 2.5315 2.5315 2.9250 2.9250 3.0204 3.0204
3.5393 3.5393 3.7782 3.7782 7.4467 7.4467 7.7562 7.7562
8.1325 8.1325 8.7924 8.7924
k = 0.0000 0.2857-0.0000 ( 18984 PWs) bands (ev):
-40.9554 -40.9554 -40.9516 -40.9516 -22.4883 -22.4883 -22.4566 -22.4566
-7.4630 -7.4630 -7.3240 -7.3240 -7.0373 -7.0373 -6.7373 -6.7373
-6.4389 -6.4389 -6.2512 -6.2512 -6.1335 -6.1335 -6.0183 -6.0183
2.1829 2.1829 2.5114 2.5114 2.9117 2.9117 3.0328 3.0328
3.5194 3.5194 3.7661 3.7661 7.5328 7.5328 7.7651 7.7651
8.1846 8.1846 8.7707 8.7707
k = 0.0000 0.3000-0.0000 ( 18976 PWs) bands (ev):
-40.9553 -40.9553 -40.9517 -40.9517 -22.4871 -22.4871 -22.4573 -22.4573
-7.4685 -7.4685 -7.3383 -7.3383 -7.0273 -7.0273 -6.7430 -6.7430
-6.4344 -6.4344 -6.2477 -6.2477 -6.1292 -6.1292 -6.0143 -6.0143
2.1555 2.1555 2.4842 2.4842 2.9079 2.9079 3.0466 3.0466
3.4990 3.4990 3.7519 3.7519 7.6183 7.6183 7.7722 7.7722
8.2410 8.2410 8.7442 8.7442
k = 0.0000 0.3143-0.0000 ( 18964 PWs) bands (ev):
-40.9552 -40.9552 -40.9518 -40.9518 -22.4860 -22.4860 -22.4580 -22.4580
-7.4735 -7.4735 -7.3523 -7.3523 -7.0169 -7.0169 -6.7494 -6.7494
-6.4293 -6.4293 -6.2464 -6.2464 -6.1235 -6.1235 -6.0107 -6.0107
2.1301 2.1301 2.4513 2.4513 2.9124 2.9124 3.0616 3.0616
3.4782 3.4782 3.7356 3.7356 7.7023 7.7023 7.7787 7.7787
8.3005 8.3005 8.7150 8.7150
k = 0.0000 0.3286-0.0000 ( 18974 PWs) bands (ev):
-40.9551 -40.9551 -40.9520 -40.9520 -22.4848 -22.4848 -22.4588 -22.4588
-7.4780 -7.4780 -7.3659 -7.3659 -7.0062 -7.0062 -6.7562 -6.7562
-6.4236 -6.4236 -6.2470 -6.2470 -6.1167 -6.1167 -6.0076 -6.0076
2.1070 2.1070 2.4149 2.4149 2.9232 2.9232 3.0777 3.0777
3.4571 3.4571 3.7171 3.7171 7.7800 7.7800 7.7895 7.7895
8.3621 8.3621 8.6849 8.6849
k = 0.0000 0.3429-0.0000 ( 18972 PWs) bands (ev):
-40.9550 -40.9550 -40.9521 -40.9521 -22.4836 -22.4836 -22.4595 -22.4595
-7.4820 -7.4820 -7.3791 -7.3791 -6.9953 -6.9953 -6.7637 -6.7637
-6.4175 -6.4175 -6.2494 -6.2494 -6.1088 -6.1088 -6.0049 -6.0049
2.0865 2.0865 2.3766 2.3766 2.9387 2.9387 3.0949 3.0949
3.4359 3.4359 3.6967 3.6967 7.7926 7.7926 7.8627 7.8627
8.4251 8.4251 8.6564 8.6564
k = 0.0000 0.3571-0.0000 ( 18986 PWs) bands (ev):
-40.9548 -40.9548 -40.9522 -40.9522 -22.4824 -22.4824 -22.4603 -22.4603
-7.4854 -7.4854 -7.3917 -7.3917 -6.9841 -6.9841 -6.7715 -6.7715
-6.4108 -6.4108 -6.2533 -6.2533 -6.1002 -6.1002 -6.0029 -6.0029
2.0686 2.0686 2.3378 2.3378 2.9574 2.9574 3.1133 3.1133
3.4147 3.4147 3.6745 3.6745 7.8021 7.8021 7.9348 7.9348
8.4891 8.4891 8.6322 8.6322
k = 0.0000 0.3714-0.0000 ( 18994 PWs) bands (ev):
-40.9547 -40.9547 -40.9523 -40.9523 -22.4811 -22.4811 -22.4612 -22.4612
-7.4881 -7.4881 -7.4037 -7.4037 -6.9727 -6.9727 -6.7799 -6.7799
-6.4037 -6.4037 -6.2584 -6.2584 -6.0913 -6.0913 -6.0015 -6.0015
2.0534 2.0534 2.2995 2.2995 2.9783 2.9783 3.1327 3.1327
3.3936 3.3936 3.6504 3.6504 7.8133 7.8133 7.9985 7.9985
8.5534 8.5534 8.6158 8.6158
k = 0.0000 0.3857-0.0000 ( 18970 PWs) bands (ev):
-40.9546 -40.9546 -40.9524 -40.9524 -22.4799 -22.4799 -22.4621 -22.4621
-7.4901 -7.4901 -7.4151 -7.4151 -6.9613 -6.9613 -6.7886 -6.7886
-6.3963 -6.3963 -6.2644 -6.2644 -6.0822 -6.0822 -6.0007 -6.0007
2.0412 2.0412 2.2626 2.2626 3.0006 3.0006 3.1532 3.1532
3.3727 3.3727 3.6248 3.6248 7.8265 7.8265 8.0498 8.0498
8.6048 8.6048 8.6243 8.6243
k = 0.0000 0.4000-0.0000 ( 18994 PWs) bands (ev):
-40.9545 -40.9545 -40.9526 -40.9526 -22.4787 -22.4787 -22.4630 -22.4630
-7.4914 -7.4914 -7.4258 -7.4258 -6.9498 -6.9498 -6.7977 -6.7977
-6.3886 -6.3886 -6.2711 -6.2711 -6.0731 -6.0731 -6.0007 -6.0007
2.0319 2.0319 2.2274 2.2274 3.0236 3.0236 3.1745 3.1745
3.3524 3.3524 3.5979 3.5979 7.8418 7.8418 8.0853 8.0853
8.6177 8.6177 8.6867 8.6867
k = 0.0000 0.4143-0.0000 ( 19000 PWs) bands (ev):
-40.9543 -40.9543 -40.9527 -40.9527 -22.4775 -22.4775 -22.4640 -22.4640
-7.4920 -7.4920 -7.4357 -7.4357 -6.9382 -6.9382 -6.8072 -6.8072
-6.3805 -6.3805 -6.2784 -6.2784 -6.0643 -6.0643 -6.0014 -6.0014
2.0256 2.0256 2.1944 2.1944 3.0469 3.0469 3.1960 3.1960
3.3334 3.3334 3.5697 3.5697 7.8593 7.8593 8.1032 8.1032
8.6442 8.6442 8.7525 8.7525
k = 0.0000 0.4286-0.0000 ( 19010 PWs) bands (ev):
-40.9542 -40.9542 -40.9528 -40.9528 -22.4762 -22.4762 -22.4650 -22.4650
-7.4918 -7.4918 -7.4449 -7.4449 -6.9266 -6.9266 -6.8170 -6.8170
-6.3723 -6.3723 -6.2862 -6.2862 -6.0557 -6.0557 -6.0028 -6.0028
2.0224 2.0224 2.1639 2.1639 3.0703 3.0703 3.2160 3.2160
3.3173 3.3173 3.5405 3.5405 7.8789 7.8789 8.1052 8.1052
8.6854 8.6854 8.8188 8.8188
k = 0.0000 0.4429-0.0000 ( 19004 PWs) bands (ev):
-40.9541 -40.9541 -40.9530 -40.9530 -22.4750 -22.4750 -22.4660 -22.4660
-7.4908 -7.4908 -7.4533 -7.4533 -6.9151 -6.9151 -6.8270 -6.8270
-6.3638 -6.3638 -6.2943 -6.2943 -6.0476 -6.0476 -6.0049 -6.0049
2.0224 2.0224 2.1360 2.1360 3.0933 3.0933 3.2299 3.2299
3.3088 3.3088 3.5106 3.5106 7.9005 7.9005 8.0951 8.0951
8.7375 8.7375 8.8856 8.8856
k = 0.0000 0.4571-0.0000 ( 18984 PWs) bands (ev):
-40.9539 -40.9539 -40.9531 -40.9531 -22.4738 -22.4738 -22.4670 -22.4670
-7.4891 -7.4891 -7.4609 -7.4609 -6.9036 -6.9036 -6.8374 -6.8374
-6.3552 -6.3552 -6.3027 -6.3027 -6.0400 -6.0400 -6.0078 -6.0078
2.0255 2.0255 2.1110 2.1110 3.1160 3.1160 3.2301 3.2301
3.3151 3.3151 3.4801 3.4801 7.9238 7.9238 8.0769 8.0769
8.7960 8.7960 8.9527 8.9527
k = 0.0000 0.4714-0.0000 ( 18990 PWs) bands (ev):
-40.9538 -40.9538 -40.9532 -40.9532 -22.4727 -22.4727 -22.4681 -22.4681
-7.4865 -7.4865 -7.4677 -7.4677 -6.8922 -6.8922 -6.8479 -6.8479
-6.3464 -6.3464 -6.3113 -6.3113 -6.0330 -6.0330 -6.0114 -6.0114
2.0318 2.0318 2.0889 2.0889 3.1383 3.1383 3.2182 3.2182
3.3346 3.3346 3.4495 3.4495 7.9487 7.9487 8.0538 8.0538
8.8574 8.8574 9.0198 9.0198
k = 0.0000 0.4857-0.0000 ( 18978 PWs) bands (ev):
-40.9536 -40.9536 -40.9534 -40.9534 -22.4715 -22.4715 -22.4692 -22.4692
-7.4830 -7.4830 -7.4736 -7.4736 -6.8809 -6.8809 -6.8587 -6.8587
-6.3376 -6.3376 -6.3200 -6.3200 -6.0266 -6.0266 -6.0157 -6.0157
2.0413 2.0413 2.0699 2.0699 3.1600 3.1600 3.2007 3.2007
3.3605 3.3605 3.4190 3.4190 7.9748 7.9748 8.0282 8.0282
8.9188 8.9188 9.0335 9.0335
k = 0.0000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4788 -7.4788 -7.4788 -7.4788 -6.8697 -6.8697 -6.8697 -6.8697
-6.3288 -6.3288 -6.3288 -6.3288 -6.0208 -6.0208 -6.0208 -6.0208
2.0541 2.0541 2.0541 2.0541 3.1809 3.1809 3.1809 3.1809
3.3891 3.3891 3.3891 3.3891 8.0015 8.0015 8.0015 8.0015
8.9783 8.9783 8.9783 8.9783
k = 0.0000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4788 -7.4788 -7.4788 -7.4788 -6.8697 -6.8697 -6.8697 -6.8697
-6.3288 -6.3288 -6.3288 -6.3288 -6.0208 -6.0208 -6.0208 -6.0208
2.0541 2.0541 2.0541 2.0541 3.1809 3.1809 3.1809 3.1809
3.3891 3.3891 3.3891 3.3891 8.0015 8.0015 8.0015 8.0015
8.9783 8.9783 8.9783 8.9783
k = 0.0143 0.5000-0.0000 ( 19002 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4787 -7.4787 -7.4780 -7.4780 -6.8708 -6.8708 -6.8686 -6.8686
-6.3291 -6.3291 -6.3290 -6.3290 -6.0222 -6.0222 -6.0205 -6.0205
2.0547 2.0547 2.0548 2.0548 3.1787 3.1787 3.1811 3.1811
3.3881 3.3881 3.3887 3.3887 7.9985 7.9985 8.0017 8.0017
8.9695 8.9695 8.9706 8.9706
k = 0.0286 0.5000-0.0000 ( 19000 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4780 -7.4780 -7.4766 -7.4766 -6.8720 -6.8720 -6.8674 -6.8674
-6.3297 -6.3297 -6.3295 -6.3295 -6.0246 -6.0246 -6.0211 -6.0211
2.0568 2.0568 2.0569 2.0569 3.1745 3.1745 3.1794 3.1794
3.3858 3.3858 3.3872 3.3872 7.9926 7.9926 7.9988 7.9988
8.9502 8.9502 8.9521 8.9521
k = 0.0429 0.5000-0.0000 ( 18994 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4702 -22.4702 -22.4702 -22.4702
-7.4764 -7.4764 -7.4743 -7.4743 -6.8731 -6.8731 -6.8663 -6.8663
-6.3308 -6.3308 -6.3304 -6.3304 -6.0280 -6.0280 -6.0228 -6.0228
2.0602 2.0602 2.0605 2.0605 3.1681 3.1681 3.1760 3.1760
3.3822 3.3822 3.3846 3.3846 7.9840 7.9840 7.9928 7.9928
8.9284 8.9284 8.9310 8.9310
k = 0.0571 0.5000-0.0000 ( 18994 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4702 -22.4702 -22.4702 -22.4702
-7.4742 -7.4742 -7.4714 -7.4714 -6.8741 -6.8741 -6.8652 -6.8652
-6.3322 -6.3322 -6.3317 -6.3317 -6.0324 -6.0324 -6.0255 -6.0255
2.0649 2.0649 2.0654 2.0654 3.1595 3.1595 3.1708 3.1708
3.3771 3.3771 3.3812 3.3812 7.9726 7.9726 7.9836 7.9836
8.9081 8.9081 8.9116 8.9116
k = 0.0714 0.5000-0.0000 ( 19006 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4701 -22.4701 -22.4701 -22.4701
-7.4713 -7.4713 -7.4678 -7.4678 -6.8752 -6.8752 -6.8640 -6.8640
-6.3340 -6.3340 -6.3334 -6.3334 -6.0378 -6.0378 -6.0292 -6.0292
2.0708 2.0708 2.0717 2.0717 3.1488 3.1488 3.1641 3.1641
3.3708 3.3708 3.3770 3.3770 7.9585 7.9585 7.9713 7.9713
8.8906 8.8906 8.8952 8.8952
k = 0.0857 0.5000-0.0000 ( 19002 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4700 -22.4700 -22.4700 -22.4700
-7.4676 -7.4676 -7.4634 -7.4634 -6.8761 -6.8761 -6.8628 -6.8628
-6.3361 -6.3361 -6.3355 -6.3355 -6.0441 -6.0441 -6.0339 -6.0339
2.0779 2.0779 2.0792 2.0792 3.1359 3.1359 3.1559 3.1559
3.3633 3.3633 3.3722 3.3722 7.9420 7.9420 7.9560 7.9560
8.8758 8.8758 8.8814 8.8814
k = 0.1000 0.5000-0.0000 ( 18998 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4698 -22.4698 -22.4698 -22.4698
-7.4633 -7.4633 -7.4584 -7.4584 -6.8770 -6.8770 -6.8616 -6.8616
-6.3385 -6.3385 -6.3379 -6.3379 -6.0514 -6.0514 -6.0396 -6.0396
2.0860 2.0860 2.0880 2.0880 3.1212 3.1212 3.1464 3.1464
3.3546 3.3546 3.3669 3.3669 7.9234 7.9234 7.9382 7.9382
8.8628 8.8628 8.8694 8.8694
k = 0.1143 0.5000-0.0000 ( 18994 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4697 -22.4697 -22.4697 -22.4697
-7.4584 -7.4584 -7.4528 -7.4528 -6.8778 -6.8778 -6.8603 -6.8603
-6.3413 -6.3413 -6.3406 -6.3406 -6.0596 -6.0596 -6.0462 -6.0462
2.0950 2.0950 2.0978 2.0978 3.1046 3.1046 3.1358 3.1358
3.3449 3.3449 3.3612 3.3612 7.9032 7.9032 7.9183 7.9183
8.8505 8.8505 8.8580 8.8580
k = 0.1286 0.5000-0.0000 ( 18986 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4695 -22.4695 -22.4695 -22.4695
-7.4528 -7.4528 -7.4466 -7.4466 -6.8785 -6.8785 -6.8589 -6.8589
-6.3443 -6.3443 -6.3437 -6.3437 -6.0687 -6.0687 -6.0537 -6.0537
2.1048 2.1048 2.1087 2.1087 3.0864 3.0864 3.1243 3.1243
3.3343 3.3343 3.3552 3.3552 7.8820 7.8820 7.8970 7.8970
8.8380 8.8380 8.8461 8.8461
k = 0.1429 0.5000-0.0000 ( 19002 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4694 -22.4694 -22.4694 -22.4694
-7.4467 -7.4467 -7.4398 -7.4398 -6.8790 -6.8790 -6.8575 -6.8575
-6.3476 -6.3476 -6.3470 -6.3470 -6.0787 -6.0787 -6.0621 -6.0621
2.1153 2.1153 2.1204 2.1204 3.0670 3.0670 3.1119 3.1119
3.3230 3.3230 3.3488 3.3488 7.8604 7.8604 7.8750 7.8750
8.8244 8.8244 8.8330 8.8330
k = 0.1571 0.5000-0.0000 ( 19010 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4692 -22.4692 -22.4692 -22.4692
-7.4401 -7.4401 -7.4325 -7.4325 -6.8793 -6.8793 -6.8559 -6.8559
-6.3510 -6.3510 -6.3507 -6.3507 -6.0894 -6.0894 -6.0713 -6.0713
2.1262 2.1262 2.1329 2.1329 3.0465 3.0465 3.0991 3.0991
3.3110 3.3110 3.3421 3.3421 7.8388 7.8388 7.8528 7.8528
8.8091 8.8091 8.8181 8.8181
k = 0.1714 0.5000-0.0000 ( 19030 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4690 -22.4690 -22.4690 -22.4690
-7.4331 -7.4331 -7.4248 -7.4248 -6.8794 -6.8794 -6.8541 -6.8541
-6.3547 -6.3547 -6.3545 -6.3545 -6.1009 -6.1009 -6.0813 -6.0813
2.1375 2.1375 2.1460 2.1460 3.0254 3.0254 3.0859 3.0859
3.2984 3.2984 3.3351 3.3351 7.8179 7.8179 7.8311 7.8311
8.7917 8.7917 8.8010 8.8010
k = 0.1857 0.5000-0.0000 ( 19022 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4688 -22.4688 -22.4688 -22.4688
-7.4256 -7.4256 -7.4167 -7.4167 -6.8791 -6.8791 -6.8522 -6.8522
-6.3587 -6.3587 -6.3586 -6.3586 -6.1131 -6.1131 -6.0921 -6.0921
2.1490 2.1490 2.1595 2.1595 3.0039 3.0039 3.0727 3.0727
3.2853 3.2853 3.3278 3.3278 7.7981 7.7981 7.8104 7.8104
8.7721 8.7721 8.7815 8.7815
k = 0.2000 0.5000-0.0000 ( 19034 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4686 -22.4686 -22.4686 -22.4686
-7.4178 -7.4178 -7.4083 -7.4083 -6.8786 -6.8786 -6.8501 -6.8501
-6.3630 -6.3630 -6.3627 -6.3627 -6.1259 -6.1259 -6.1035 -6.1035
2.1605 2.1605 2.1732 2.1732 2.9824 2.9824 3.0598 3.0598
3.2718 3.2718 3.3202 3.3202 7.7797 7.7797 7.7910 7.7910
8.7500 8.7500 8.7595 8.7595
k = 0.2143 0.5000-0.0000 ( 19022 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4683 -22.4683 -22.4683 -22.4683
-7.4097 -7.4097 -7.3997 -7.3997 -6.8776 -6.8776 -6.8477 -6.8477
-6.3676 -6.3676 -6.3669 -6.3669 -6.1392 -6.1392 -6.1155 -6.1155
2.1718 2.1718 2.1871 2.1871 2.9612 2.9612 3.0473 3.0473
3.2579 3.2579 3.3123 3.3123 7.7631 7.7631 7.7734 7.7734
8.7255 8.7255 8.7351 8.7351
k = 0.2286 0.5000-0.0000 ( 19018 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4681 -22.4681 -22.4681 -22.4681
-7.4014 -7.4014 -7.3909 -7.3909 -6.8763 -6.8763 -6.8450 -6.8450
-6.3723 -6.3723 -6.3714 -6.3714 -6.1530 -6.1530 -6.1281 -6.1281
2.1827 2.1827 2.2007 2.2007 2.9407 2.9407 3.0355 3.0355
3.2437 3.2437 3.3041 3.3041 7.7486 7.7486 7.7578 7.7578
8.6986 8.6986 8.7084 8.7084
k = 0.2429 0.5000-0.0000 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4679 -22.4679 -22.4679 -22.4679
-7.3929 -7.3929 -7.3820 -7.3820 -6.8744 -6.8744 -6.8419 -6.8419
-6.3773 -6.3773 -6.3760 -6.3760 -6.1672 -6.1672 -6.1411 -6.1411
2.1932 2.1932 2.2141 2.2141 2.9212 2.9212 3.0246 3.0246
3.2293 3.2293 3.2956 3.2956 7.7364 7.7364 7.7444 7.7444
8.6694 8.6694 8.6794 8.6794
k = 0.2571 0.5000-0.0000 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4677 -22.4677 -22.4677 -22.4677
-7.3844 -7.3844 -7.3731 -7.3731 -6.8720 -6.8720 -6.8385 -6.8385
-6.3825 -6.3825 -6.3807 -6.3807 -6.1815 -6.1815 -6.1545 -6.1545
2.2031 2.2031 2.2268 2.2268 2.9029 2.9029 3.0148 3.0148
3.2146 3.2146 3.2867 3.2867 7.7266 7.7266 7.7335 7.7335
8.6381 8.6381 8.6483 8.6483
k = 0.2714 0.5000-0.0000 ( 19028 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4674 -22.4674 -22.4674 -22.4674
-7.3759 -7.3759 -7.3643 -7.3643 -6.8690 -6.8690 -6.8347 -6.8347
-6.3880 -6.3880 -6.3858 -6.3858 -6.1960 -6.1960 -6.1681 -6.1681
2.2122 2.2122 2.2388 2.2388 2.8863 2.8863 3.0064 3.0064
3.1998 3.1998 3.2776 3.2776 7.7194 7.7194 7.7252 7.7252
8.6049 8.6049 8.6153 8.6153
k = 0.2857 0.5000-0.0000 ( 19052 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4672 -22.4672 -22.4672 -22.4672
-7.3675 -7.3675 -7.3557 -7.3557 -6.8653 -6.8653 -6.8305 -6.8305
-6.3936 -6.3936 -6.3911 -6.3911 -6.2105 -6.2105 -6.1819 -6.1819
2.2205 2.2205 2.2498 2.2498 2.8716 2.8716 2.9993 2.9993
3.1849 3.1849 3.2681 3.2681 7.7149 7.7149 7.7195 7.7195
8.5699 8.5699 8.5806 8.5806
k = 0.3000 0.5000-0.0000 ( 19040 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4670 -22.4670 -22.4670 -22.4670
-7.3592 -7.3592 -7.3474 -7.3474 -6.8609 -6.8609 -6.8259 -6.8259
-6.3996 -6.3996 -6.3967 -6.3967 -6.2247 -6.2247 -6.1956 -6.1956
2.2280 2.2280 2.2595 2.2595 2.8590 2.8590 2.9936 2.9936
3.1701 3.1701 3.2584 3.2584 7.7131 7.7131 7.7166 7.7166
8.5335 8.5335 8.5443 8.5443
k = 0.3143 0.5000-0.0000 ( 19028 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4668 -22.4668 -22.4668 -22.4668
-7.3512 -7.3512 -7.3394 -7.3394 -6.8559 -6.8559 -6.8208 -6.8208
-6.4058 -6.4058 -6.4028 -6.4028 -6.2385 -6.2385 -6.2092 -6.2092
2.2345 2.2345 2.2680 2.2680 2.8487 2.8487 2.9893 2.9893
3.1553 3.1553 3.2484 3.2484 7.7140 7.7140 7.7164 7.7164
8.4958 8.4958 8.5068 8.5068
k = 0.3286 0.5000-0.0000 ( 19032 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4666 -22.4666 -22.4666 -22.4666
-7.3434 -7.3434 -7.3319 -7.3319 -6.8501 -6.8501 -6.8152 -6.8152
-6.4124 -6.4124 -6.4094 -6.4094 -6.2516 -6.2516 -6.2225 -6.2225
2.2402 2.2402 2.2750 2.2750 2.8409 2.8409 2.9862 2.9862
3.1409 3.1409 3.2381 3.2381 7.7176 7.7176 7.7189 7.7189
8.4571 8.4571 8.4683 8.4683
k = 0.3429 0.5000-0.0000 ( 19032 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4664 -22.4664 -22.4664 -22.4664
-7.3361 -7.3361 -7.3248 -7.3248 -6.8436 -6.8436 -6.8093 -6.8093
-6.4193 -6.4193 -6.4165 -6.4165 -6.2639 -6.2639 -6.2353 -6.2353
2.2450 2.2450 2.2804 2.2804 2.8357 2.8357 2.9843 2.9843
3.1270 3.1270 3.2276 3.2276 7.7239 7.7239 7.7241 7.7241
8.4178 8.4178 8.4290 8.4290
k = 0.3571 0.5000-0.0000 ( 19024 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4662 -22.4662 -22.4662 -22.4662
-7.3291 -7.3291 -7.3184 -7.3184 -6.8365 -6.8365 -6.8031 -6.8031
-6.4266 -6.4266 -6.4241 -6.4241 -6.2751 -6.2751 -6.2475 -6.2475
2.2491 2.2491 2.2844 2.2844 2.8330 2.8330 2.9830 2.9830
3.1138 3.1138 3.2169 3.2169 7.7320 7.7320 7.7329 7.7329
8.3780 8.3780 8.3893 8.3893
k = 0.3714 0.5000-0.0000 ( 19036 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4660 -22.4660 -22.4660 -22.4660
-7.3227 -7.3227 -7.3125 -7.3125 -6.8288 -6.8288 -6.7966 -6.7966
-6.4342 -6.4342 -6.4324 -6.4324 -6.2851 -6.2851 -6.2590 -6.2590
2.2526 2.2526 2.2869 2.2869 2.8329 2.8329 2.9820 2.9820
3.1019 3.1019 3.2061 3.2061 7.7425 7.7425 7.7443 7.7443
8.3381 8.3381 8.3494 8.3494
k = 0.3857 0.5000-0.0000 ( 19016 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4658 -22.4658 -22.4658 -22.4658
-7.3167 -7.3167 -7.3073 -7.3073 -6.8206 -6.8206 -6.7901 -6.7901
-6.4421 -6.4421 -6.4410 -6.4410 -6.2937 -6.2937 -6.2696 -6.2696
2.2555 2.2555 2.2881 2.2881 2.8350 2.8350 2.9805 2.9805
3.0919 3.0919 3.1951 3.1951 7.7553 7.7553 7.7580 7.7580
8.2984 8.2984 8.3096 8.3096
k = 0.4000 0.5000-0.0000 ( 19006 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4657 -22.4657 -22.4657 -22.4657
-7.3113 -7.3113 -7.3028 -7.3028 -6.8120 -6.8120 -6.7837 -6.7837
-6.4501 -6.4501 -6.4499 -6.4499 -6.3010 -6.3010 -6.2792 -6.2792
2.2581 2.2581 2.2882 2.2882 2.8394 2.8394 2.9778 2.9778
3.0843 3.0843 3.1840 3.1840 7.7704 7.7704 7.7740 7.7740
8.2593 8.2593 8.2704 8.2704
k = 0.4143 0.5000-0.0000 ( 18996 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4656 -22.4656 -22.4656 -22.4656
-7.3065 -7.3065 -7.2990 -7.2990 -6.8033 -6.8033 -6.7775 -6.7775
-6.4588 -6.4588 -6.4581 -6.4581 -6.3069 -6.3069 -6.2878 -6.2878
2.2603 2.2603 2.2874 2.2874 2.8456 2.8456 2.9731 2.9731
3.0799 3.0799 3.1729 3.1729 7.7875 7.7875 7.7917 7.7917
8.2213 8.2213 8.2320 8.2320
k = 0.4286 0.5000-0.0000 ( 19000 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4655 -22.4655 -22.4655 -22.4655
-7.3023 -7.3023 -7.2959 -7.2959 -6.7947 -6.7947 -6.7720 -6.7720
-6.4672 -6.4672 -6.4658 -6.4658 -6.3115 -6.3115 -6.2953 -6.2953
2.2625 2.2625 2.2858 2.2858 2.8536 2.8536 2.9662 2.9662
3.0788 3.0788 3.1618 3.1618 7.8062 7.8062 7.8110 7.8110
8.1848 8.1848 8.1950 8.1950
k = 0.4429 0.5000-0.0000 ( 18992 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4654 -22.4654 -22.4654 -22.4654
-7.2987 -7.2987 -7.2934 -7.2934 -6.7865 -6.7865 -6.7674 -6.7674
-6.4748 -6.4748 -6.4730 -6.4730 -6.3147 -6.3147 -6.3017 -6.3017
2.2645 2.2645 2.2838 2.2838 2.8629 2.8629 2.9571 2.9571
3.0808 3.0808 3.1507 3.1507 7.8259 7.8259 7.8310 7.8310
8.1506 8.1506 8.1600 8.1600
k = 0.4571 0.5000-0.0000 ( 18996 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4653 -22.4653 -22.4653 -22.4653
-7.2957 -7.2957 -7.2917 -7.2917 -6.7790 -6.7790 -6.7640 -6.7640
-6.4812 -6.4812 -6.4793 -6.4793 -6.3168 -6.3168 -6.3070 -6.3070
2.2666 2.2666 2.2814 2.2814 2.8735 2.8735 2.9464 2.9464
3.0854 3.0854 3.1398 3.1398 7.8457 7.8457 7.8507 7.8507
8.1199 8.1199 8.1282 8.1282
k = 0.4714 0.5000-0.0000 ( 18988 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2934 -7.2934 -7.2907 -7.2907 -6.7724 -6.7724 -6.7622 -6.7622
-6.4858 -6.4858 -6.4843 -6.4843 -6.3178 -6.3178 -6.3112 -6.3112
2.2688 2.2688 2.2788 2.2788 2.8849 2.8849 2.9346 2.9346
3.0919 3.0919 3.1291 3.1291 7.8640 7.8640 7.8683 7.8683
8.0946 8.0946 8.1011 8.1011
k = 0.4857 0.5000-0.0000 ( 18996 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2918 -7.2918 -7.2904 -7.2904 -6.7673 -6.7673 -6.7620 -6.7620
-6.4886 -6.4886 -6.4877 -6.4877 -6.3177 -6.3177 -6.3144 -6.3144
2.2711 2.2711 2.2762 2.2762 2.8970 2.8970 2.9222 2.9222
3.0999 3.0999 3.1188 3.1188 7.8780 7.8780 7.8807 7.8807
8.0777 8.0777 8.0814 8.0814
k = 0.5000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2907 -7.2907 -7.2907 -7.2907 -6.7638 -6.7638 -6.7638 -6.7638
-6.4892 -6.4892 -6.4892 -6.4892 -6.3166 -6.3166 -6.3166 -6.3166
2.2736 2.2736 2.2736 2.2736 2.9095 2.9095 2.9095 2.9095
3.1090 3.1090 3.1090 3.1090 7.8844 7.8844 7.8844 7.8844
8.0729 8.0729 8.0729 8.0729
k = 0.5000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2907 -7.2907 -7.2907 -7.2907 -6.7638 -6.7638 -6.7638 -6.7638
-6.4892 -6.4892 -6.4892 -6.4892 -6.3166 -6.3166 -6.3166 -6.3166
2.2736 2.2736 2.2736 2.2736 2.9095 2.9095 2.9095 2.9095
3.1090 3.1090 3.1090 3.1090 7.8844 7.8844 7.8844 7.8844
8.0729 8.0729 8.0729 8.0729
k = 0.4898 0.4898-0.0000 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2918 -7.2918 -7.2904 -7.2904 -6.7674 -6.7674 -6.7620 -6.7620
-6.4889 -6.4889 -6.4873 -6.4873 -6.3177 -6.3177 -6.3143 -6.3143
2.2711 2.2711 2.2762 2.2762 2.8968 2.8968 2.9224 2.9224
3.0998 3.0998 3.1189 3.1189 7.8707 7.8707 7.8884 7.8884
8.0727 8.0727 8.0862 8.0862
k = 0.4796 0.4796-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4654 -22.4654 -22.4651 -22.4651
-7.2934 -7.2934 -7.2908 -7.2908 -6.7728 -6.7728 -6.7620 -6.7620
-6.4876 -6.4876 -6.4824 -6.4824 -6.3181 -6.3181 -6.3109 -6.3109
2.2686 2.2686 2.2791 2.2791 2.8840 2.8840 2.9355 2.9355
3.0915 3.0915 3.1295 3.1295 7.8375 7.8375 7.9002 7.9002
8.0728 8.0728 8.1177 8.1177
k = 0.4694 0.4694-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9534 -40.9534 -22.4655 -22.4655 -22.4651 -22.4651
-7.2957 -7.2957 -7.2919 -7.2919 -6.7798 -6.7798 -6.7634 -6.7634
-6.4858 -6.4858 -6.4743 -6.4743 -6.3177 -6.3177 -6.3060 -6.3060
2.2661 2.2661 2.2823 2.2823 2.8706 2.8706 2.9491 2.9491
3.0842 3.0842 3.1410 3.1410 7.7952 7.7952 7.9196 7.9196
8.0730 8.0730 8.1572 8.1572
k = 0.4592 0.4592-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9534 -40.9534 -22.4658 -22.4658 -22.4650 -22.4650
-7.2984 -7.2984 -7.2937 -7.2937 -6.7883 -6.7883 -6.7660 -6.7660
-6.4836 -6.4836 -6.4636 -6.4636 -6.3168 -6.3168 -6.2997 -6.2997
2.2636 2.2636 2.2860 2.2860 2.8566 2.8566 2.9630 2.9630
3.0782 3.0782 3.1532 3.1532 7.7494 7.7494 7.9463 7.9463
8.0733 8.0733 8.1995 8.1995
k = 0.4490 0.4490-0.0000 ( 18994 PWs) bands (ev):
-40.9536 -40.9536 -40.9534 -40.9534 -22.4661 -22.4661 -22.4648 -22.4648
-7.3017 -7.3017 -7.2962 -7.2962 -6.7979 -6.7979 -6.7693 -6.7693
-6.4814 -6.4814 -6.4507 -6.4507 -6.3153 -6.3153 -6.2920 -6.2920
2.2612 2.2612 2.2902 2.2902 2.8414 2.8414 2.9773 2.9773
3.0736 3.0736 3.1663 3.1663 7.7026 7.7026 7.9799 7.9799
8.0737 8.0737 8.2424 8.2424
k = 0.4388 0.4388-0.0000 ( 19018 PWs) bands (ev):
-40.9536 -40.9536 -40.9534 -40.9534 -22.4665 -22.4665 -22.4647 -22.4647
-7.3054 -7.3054 -7.2994 -7.2994 -6.8083 -6.8083 -6.7730 -6.7730
-6.4794 -6.4794 -6.4359 -6.4359 -6.3135 -6.3135 -6.2828 -6.2828
2.2590 2.2590 2.2951 2.2951 2.8250 2.8250 2.9919 2.9919
3.0706 3.0706 3.1804 3.1804 7.6560 7.6560 8.0197 8.0197
8.0745 8.0745 8.2847 8.2847
k = 0.4286 0.4286-0.0000 ( 19022 PWs) bands (ev):
-40.9536 -40.9536 -40.9533 -40.9533 -22.4670 -22.4670 -22.4645 -22.4645
-7.3095 -7.3095 -7.3032 -7.3032 -6.8194 -6.8194 -6.7767 -6.7767
-6.4778 -6.4778 -6.4196 -6.4196 -6.3112 -6.3112 -6.2724 -6.2724
2.2571 2.2571 2.3006 2.3006 2.8072 2.8072 3.0067 3.0067
3.0691 3.0691 3.1957 3.1957 7.6108 7.6108 8.0617 8.0617
8.0789 8.0789 8.3260 8.3260
k = 0.4184 0.4184-0.0000 ( 19010 PWs) bands (ev):
-40.9537 -40.9537 -40.9533 -40.9533 -22.4675 -22.4675 -22.4642 -22.4642
-7.3140 -7.3140 -7.3074 -7.3074 -6.8308 -6.8308 -6.7803 -6.7803
-6.4767 -6.4767 -6.4022 -6.4022 -6.3086 -6.3086 -6.2610 -6.2610
2.2558 2.2558 2.3067 2.3067 2.7881 2.7881 3.0215 3.0215
3.0693 3.0693 3.2122 3.2122 7.5675 7.5675 8.0726 8.0726
8.1195 8.1195 8.3660 8.3660
k = 0.4082 0.4082-0.0000 ( 19002 PWs) bands (ev):
-40.9537 -40.9537 -40.9532 -40.9532 -22.4681 -22.4681 -22.4640 -22.4640
-7.3189 -7.3189 -7.3119 -7.3119 -6.8424 -6.8424 -6.7835 -6.7835
-6.4761 -6.4761 -6.3841 -6.3841 -6.3055 -6.3055 -6.2488 -6.2488
2.2553 2.2553 2.3135 2.3135 2.7677 2.7677 3.0363 3.0363
3.0708 3.0708 3.2300 3.2300 7.5267 7.5267 8.0737 8.0737
8.1742 8.1742 8.4045 8.4045
k = 0.3980 0.3980-0.0000 ( 19006 PWs) bands (ev):
-40.9538 -40.9538 -40.9532 -40.9532 -22.4688 -22.4688 -22.4637 -22.4637
-7.3243 -7.3243 -7.3164 -7.3164 -6.8540 -6.8540 -6.7862 -6.7862
-6.4760 -6.4760 -6.3655 -6.3655 -6.3021 -6.3021 -6.2359 -6.2359
2.2557 2.2557 2.3210 2.3210 2.7464 2.7464 3.0509 3.0509
3.0734 3.0734 3.2492 3.2492 7.4890 7.4890 8.0743 8.0743
8.2327 8.2327 8.4415 8.4415
k = 0.3878 0.3878-0.0000 ( 19000 PWs) bands (ev):
-40.9538 -40.9538 -40.9531 -40.9531 -22.4695 -22.4695 -22.4634 -22.4634
-7.3304 -7.3304 -7.3207 -7.3207 -6.8655 -6.8655 -6.7883 -6.7883
-6.4763 -6.4763 -6.3469 -6.3469 -6.2983 -6.2983 -6.2228 -6.2228
2.2572 2.2572 2.3291 2.3291 2.7246 2.7246 3.0651 3.0651
3.0770 3.0770 3.2698 3.2698 7.4547 7.4547 8.0746 8.0746
8.2936 8.2936 8.4770 8.4770
k = 0.3776 0.3776-0.0000 ( 19000 PWs) bands (ev):
-40.9539 -40.9539 -40.9531 -40.9531 -22.4702 -22.4702 -22.4631 -22.4631
-7.3369 -7.3369 -7.3246 -7.3246 -6.8769 -6.8769 -6.7898 -6.7898
-6.4770 -6.4770 -6.3287 -6.3287 -6.2938 -6.2938 -6.2095 -6.2095
2.2599 2.2599 2.3378 2.3378 2.7025 2.7025 3.0758 3.0758
3.0843 3.0843 3.2917 3.2917 7.4241 7.4241 8.0747 8.0747
8.3558 8.3558 8.5112 8.5112
k = 0.3673 0.3673-0.0000 ( 19004 PWs) bands (ev):
-40.9540 -40.9540 -40.9530 -40.9530 -22.4711 -22.4711 -22.4627 -22.4627
-7.3438 -7.3438 -7.3281 -7.3281 -6.8881 -6.8881 -6.7907 -6.7907
-6.4780 -6.4780 -6.3116 -6.3116 -6.2882 -6.2882 -6.1963 -6.1963
2.2641 2.2641 2.3471 2.3471 2.6806 2.6806 3.0801 3.0801
3.0981 3.0981 3.3150 3.3150 7.3975 7.3975 8.0747 8.0747
8.4178 8.4178 8.5442 8.5442
k = 0.3571 0.3571-0.0000 ( 19020 PWs) bands (ev):
-40.9541 -40.9541 -40.9529 -40.9529 -22.4719 -22.4719 -22.4624 -22.4624
-7.3509 -7.3509 -7.3312 -7.3312 -6.8990 -6.8990 -6.7909 -6.7909
-6.4792 -6.4792 -6.2977 -6.2977 -6.2798 -6.2798 -6.1833 -6.1833
2.2698 2.2698 2.3569 2.3569 2.6593 2.6593 3.0822 3.0822
3.1136 3.1136 3.3397 3.3397 7.3749 7.3749 8.0743 8.0743
8.4786 8.4786 8.5761 8.5761
k = 0.3469 0.3469-0.0000 ( 19004 PWs) bands (ev):
-40.9541 -40.9541 -40.9528 -40.9528 -22.4729 -22.4729 -22.4620 -22.4620
-7.3582 -7.3582 -7.3337 -7.3337 -6.9098 -6.9098 -6.7905 -6.7905
-6.4805 -6.4805 -6.2887 -6.2887 -6.2669 -6.2669 -6.1707 -6.1707
2.2770 2.2770 2.3671 2.3671 2.6390 2.6390 3.0829 3.0829
3.1300 3.1300 3.3654 3.3654 7.3565 7.3565 8.0735 8.0735
8.5366 8.5366 8.6071 8.6071
k = 0.3367 0.3367-0.0000 ( 19032 PWs) bands (ev):
-40.9542 -40.9542 -40.9528 -40.9528 -22.4738 -22.4738 -22.4616 -22.4616
-7.3655 -7.3655 -7.3356 -7.3356 -6.9202 -6.9202 -6.7895 -6.7895
-6.4819 -6.4819 -6.2825 -6.2825 -6.2520 -6.2520 -6.1585 -6.1585
2.2859 2.2859 2.3776 2.3776 2.6203 2.6203 3.0821 3.0821
3.1472 3.1472 3.3923 3.3923 7.3420 7.3420 8.0722 8.0722
8.5908 8.5908 8.6375 8.6375
k = 0.3265 0.3265-0.0000 ( 19018 PWs) bands (ev):
-40.9543 -40.9543 -40.9527 -40.9527 -22.4748 -22.4748 -22.4612 -22.4612
-7.3727 -7.3727 -7.3369 -7.3369 -6.9305 -6.9305 -6.7880 -6.7880
-6.4833 -6.4833 -6.2773 -6.2773 -6.2372 -6.2372 -6.1467 -6.1467
2.2962 2.2962 2.3883 2.3883 2.6036 2.6036 3.0797 3.0797
3.1652 3.1652 3.4200 3.4200 7.3313 7.3313 8.0701 8.0701
8.6399 8.6399 8.6676 8.6676
k = 0.3163 0.3163-0.0000 ( 18996 PWs) bands (ev):
-40.9544 -40.9544 -40.9526 -40.9526 -22.4758 -22.4758 -22.4607 -22.4607
-7.3797 -7.3797 -7.3374 -7.3374 -6.9405 -6.9405 -6.7860 -6.7860
-6.4846 -6.4846 -6.2723 -6.2723 -6.2234 -6.2234 -6.1354 -6.1354
2.3080 2.3080 2.3990 2.3990 2.5894 2.5894 3.0756 3.0756
3.1841 3.1841 3.4485 3.4485 7.3239 7.3239 8.0672 8.0672
8.6829 8.6829 8.6976 8.6976
k = 0.3061 0.3061-0.0000 ( 18996 PWs) bands (ev):
-40.9545 -40.9545 -40.9525 -40.9525 -22.4769 -22.4769 -22.4603 -22.4603
-7.3864 -7.3864 -7.3373 -7.3373 -6.9504 -6.9504 -6.7835 -6.7835
-6.4858 -6.4858 -6.2676 -6.2676 -6.2109 -6.2109 -6.1247 -6.1247
2.3209 2.3209 2.4096 2.4096 2.5784 2.5784 3.0700 3.0700
3.2039 3.2039 3.4774 3.4774 7.3194 7.3194 8.0632 8.0632
8.7193 8.7193 8.7280 8.7280
k = 0.2959 0.2959-0.0000 ( 19002 PWs) bands (ev):
-40.9546 -40.9546 -40.9524 -40.9524 -22.4780 -22.4780 -22.4598 -22.4598
-7.3927 -7.3927 -7.3363 -7.3363 -6.9600 -6.9600 -6.7807 -6.7807
-6.4869 -6.4869 -6.2631 -6.2631 -6.1998 -6.1998 -6.1144 -6.1144
2.3345 2.3345 2.4202 2.4202 2.5710 2.5710 3.0631 3.0631
3.2244 3.2244 3.5067 3.5067 7.3170 7.3170 8.0578 8.0578
8.7487 8.7487 8.7593 8.7593
k = 0.2857 0.2857-0.0000 ( 18986 PWs) bands (ev):
-40.9547 -40.9547 -40.9523 -40.9523 -22.4791 -22.4791 -22.4594 -22.4594
-7.3985 -7.3985 -7.3345 -7.3345 -6.9695 -6.9695 -6.7775 -6.7775
-6.4877 -6.4877 -6.2589 -6.2589 -6.1904 -6.1904 -6.1047 -6.1047
2.3482 2.3482 2.4308 2.4308 2.5678 2.5678 3.0551 3.0551
3.2458 3.2458 3.5359 3.5359 7.3160 7.3160 8.0508 8.0508
8.7708 8.7708 8.7918 8.7918
k = 0.2755 0.2755-0.0000 ( 18996 PWs) bands (ev):
-40.9548 -40.9548 -40.9522 -40.9522 -22.4802 -22.4802 -22.4589 -22.4589
-7.4037 -7.4037 -7.3319 -7.3319 -6.9789 -6.9789 -6.7741 -6.7741
-6.4883 -6.4883 -6.2550 -6.2550 -6.1825 -6.1825 -6.0955 -6.0955
2.3612 2.3612 2.4420 2.4420 2.5689 2.5689 3.0465 3.0465
3.2680 3.2680 3.5649 3.5649 7.3153 7.3153 8.0418 8.0418
8.7857 8.7857 8.8262 8.8262
k = 0.2653 0.2653-0.0000 ( 18992 PWs) bands (ev):
-40.9549 -40.9549 -40.9521 -40.9521 -22.4814 -22.4814 -22.4584 -22.4584
-7.4084 -7.4084 -7.3285 -7.3285 -6.9881 -6.9881 -6.7704 -6.7704
-6.4886 -6.4886 -6.2516 -6.2516 -6.1762 -6.1762 -6.0870 -6.0870
2.3724 2.3724 2.4546 2.4546 2.5742 2.5742 3.0376 3.0376
3.2909 3.2909 3.5935 3.5935 7.3140 7.3140 8.0305 8.0305
8.7927 8.7927 8.8627 8.8627
k = 0.2551 0.2551-0.0000 ( 18996 PWs) bands (ev):
-40.9550 -40.9550 -40.9520 -40.9520 -22.4825 -22.4825 -22.4580 -22.4580
-7.4123 -7.4123 -7.3242 -7.3242 -6.9971 -6.9971 -6.7666 -6.7666
-6.4886 -6.4886 -6.2488 -6.2488 -6.1713 -6.1713 -6.0792 -6.0792
2.3816 2.3816 2.4691 2.4691 2.5833 2.5833 3.0293 3.0293
3.3144 3.3144 3.6211 3.6211 7.3109 7.3109 8.0166 8.0166
8.7884 8.7884 8.9003 8.9003
k = 0.2449 0.2449-0.0000 ( 18992 PWs) bands (ev):
-40.9551 -40.9551 -40.9519 -40.9519 -22.4837 -22.4837 -22.4575 -22.4575
-7.4156 -7.4156 -7.3191 -7.3191 -7.0061 -7.0061 -6.7626 -6.7626
-6.4883 -6.4883 -6.2468 -6.2468 -6.1675 -6.1675 -6.0722 -6.0722
2.3889 2.3889 2.4853 2.4853 2.5957 2.5957 3.0222 3.0222
3.3386 3.3386 3.6477 3.6477 7.3050 7.3050 7.9996 7.9996
8.7604 8.7604 8.8900 8.8900
k = 0.2347 0.2347-0.0000 ( 18990 PWs) bands (ev):
-40.9552 -40.9552 -40.9518 -40.9518 -22.4848 -22.4848 -22.4570 -22.4570
-7.4182 -7.4182 -7.3131 -7.3131 -7.0148 -7.0148 -6.7586 -6.7586
-6.4877 -6.4877 -6.2459 -6.2459 -6.1647 -6.1647 -6.0660 -6.0660
2.3949 2.3949 2.5025 2.5025 2.6105 2.6105 3.0173 3.0173
3.3633 3.3633 3.6729 3.6729 7.2952 7.2952 7.9793 7.9793
8.6976 8.6976 8.8601 8.8601
k = 0.2245 0.2245-0.0000 ( 18994 PWs) bands (ev):
-40.9553 -40.9553 -40.9518 -40.9518 -22.4860 -22.4860 -22.4565 -22.4565
-7.4201 -7.4201 -7.3064 -7.3064 -7.0233 -7.0233 -6.7546 -6.7546
-6.4867 -6.4867 -6.2462 -6.2462 -6.1625 -6.1625 -6.0608 -6.0608
2.4005 2.4005 2.5197 2.5197 2.6271 2.6271 3.0155 3.0155
3.3884 3.3884 3.6963 3.6963 7.2807 7.2807 7.9556 7.9556
8.6185 8.6185 8.8493 8.8493
k = 0.2143 0.2143-0.0000 ( 18998 PWs) bands (ev):
-40.9554 -40.9554 -40.9517 -40.9517 -22.4871 -22.4871 -22.4561 -22.4561
-7.4211 -7.4211 -7.2990 -7.2990 -7.0316 -7.0316 -6.7506 -6.7506
-6.4854 -6.4854 -6.2479 -6.2479 -6.1606 -6.1606 -6.0565 -6.0565
2.4061 2.4061 2.5361 2.5361 2.6449 2.6449 3.0181 3.0181
3.4139 3.4139 3.7177 3.7177 7.2607 7.2607 7.9281 7.9281
8.5383 8.5383 8.8453 8.8453
k = 0.2041 0.2041-0.0000 ( 18990 PWs) bands (ev):
-40.9555 -40.9555 -40.9516 -40.9516 -22.4882 -22.4882 -22.4556 -22.4556
-7.4214 -7.4214 -7.2910 -7.2910 -7.0396 -7.0396 -6.7468 -6.7468
-6.4837 -6.4837 -6.2512 -6.2512 -6.1590 -6.1590 -6.0532 -6.0532
2.4120 2.4120 2.5510 2.5510 2.6631 2.6631 3.0261 3.0261
3.4397 3.4397 3.7368 3.7368 7.2347 7.2347 7.8970 7.8970
8.4615 8.4615 8.8448 8.8448
k = 0.1939 0.1939-0.0000 ( 18990 PWs) bands (ev):
-40.9556 -40.9556 -40.9515 -40.9515 -22.4893 -22.4893 -22.4552 -22.4552
-7.4210 -7.4210 -7.2824 -7.2824 -7.0472 -7.0472 -6.7431 -6.7431
-6.4816 -6.4816 -6.2560 -6.2560 -6.1575 -6.1575 -6.0507 -6.0507
2.4182 2.4182 2.5639 2.5639 2.6812 2.6812 3.0403 3.0403
3.4657 3.4657 3.7534 3.7534 7.2025 7.2025 7.8624 7.8624
8.3898 8.3898 8.8470 8.8470
k = 0.1837 0.1837-0.0000 ( 18978 PWs) bands (ev):
-40.9557 -40.9557 -40.9514 -40.9514 -22.4904 -22.4904 -22.4547 -22.4547
-7.4198 -7.4198 -7.2734 -7.2734 -7.0543 -7.0543 -6.7397 -6.7397
-6.4792 -6.4792 -6.2624 -6.2624 -6.1561 -6.1561 -6.0491 -6.0491
2.4246 2.4246 2.5749 2.5749 2.6991 2.6991 3.0611 3.0611
3.4916 3.4916 3.7673 3.7673 7.1640 7.1640 7.8246 7.8246
8.3237 8.3237 8.8524 8.8524
k = 0.1735 0.1735-0.0000 ( 18954 PWs) bands (ev):
-40.9558 -40.9558 -40.9513 -40.9513 -22.4914 -22.4914 -22.4543 -22.4543
-7.4179 -7.4179 -7.2642 -7.2642 -7.0608 -7.0608 -6.7366 -6.7366
-6.4765 -6.4765 -6.2702 -6.2702 -6.1548 -6.1548 -6.0483 -6.0483
2.4307 2.4307 2.5843 2.5843 2.7166 2.7166 3.0882 3.0882
3.5175 3.5175 3.7785 3.7785 7.1195 7.1195 7.7840 7.7840
8.2633 8.2633 8.8612 8.8612
k = 0.1633 0.1633-0.0000 ( 18952 PWs) bands (ev):
-40.9558 -40.9558 -40.9512 -40.9512 -22.4924 -22.4924 -22.4539 -22.4539
-7.4154 -7.4154 -7.2550 -7.2550 -7.0665 -7.0665 -6.7338 -6.7338
-6.4734 -6.4734 -6.2793 -6.2793 -6.1538 -6.1538 -6.0481 -6.0481
2.4358 2.4358 2.5928 2.5928 2.7340 2.7340 3.1208 3.1208
3.5431 3.5431 3.7870 3.7870 7.0694 7.0694 7.7412 7.7412
8.2087 8.2087 8.8739 8.8739
k = 0.1531 0.1531-0.0000 ( 18954 PWs) bands (ev):
-40.9559 -40.9559 -40.9511 -40.9511 -22.4934 -22.4934 -22.4535 -22.4535
-7.4122 -7.4122 -7.2460 -7.2460 -7.0712 -7.0712 -6.7315 -6.7315
-6.4700 -6.4700 -6.2893 -6.2893 -6.1532 -6.1532 -6.0484 -6.0484
2.4394 2.4394 2.6016 2.6016 2.7514 2.7514 3.1581 3.1581
3.5683 3.5683 3.7929 3.7929 7.0144 7.0144 7.6968 7.6968
8.1598 8.1598 8.8910 8.8910
k = 0.1429 0.1429-0.0000 ( 18968 PWs) bands (ev):
-40.9560 -40.9560 -40.9511 -40.9511 -22.4943 -22.4943 -22.4532 -22.4532
-7.4084 -7.4084 -7.2376 -7.2376 -7.0746 -7.0746 -6.7297 -6.7297
-6.4663 -6.4663 -6.3002 -6.3002 -6.1531 -6.1531 -6.0490 -6.0490
2.4409 2.4409 2.6116 2.6116 2.7689 2.7689 3.1986 3.1986
3.5929 3.5929 3.7965 3.7965 6.9551 6.9551 7.6516 7.6516
8.1163 8.1163 8.9126 8.9126
k = 0.1327 0.1327-0.0000 ( 18964 PWs) bands (ev):
-40.9561 -40.9561 -40.9510 -40.9510 -22.4952 -22.4952 -22.4528 -22.4528
-7.4041 -7.4041 -7.2302 -7.2302 -7.0764 -7.0764 -6.7285 -6.7285
-6.4623 -6.4623 -6.3115 -6.3115 -6.1538 -6.1538 -6.0497 -6.0497
2.4400 2.4400 2.6235 2.6235 2.7865 2.7865 3.2410 3.2410
3.6166 3.6166 3.7984 3.7984 6.8923 6.8923 7.6061 7.6061
8.0779 8.0779 8.8685 8.8685
k = 0.1224 0.1224-0.0000 ( 18956 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4960 -22.4960 -22.4525 -22.4525
-7.3993 -7.3993 -7.2242 -7.2242 -7.0764 -7.0764 -6.7280 -6.7280
-6.4580 -6.4580 -6.3232 -6.3232 -6.1553 -6.1553 -6.0505 -6.0505
2.4368 2.4368 2.6377 2.6377 2.8042 2.8042 3.2838 3.2838
3.6393 3.6393 3.7992 3.7992 6.8272 6.8272 7.5612 7.5612
8.0442 8.0442 8.7945 8.7945
k = 0.1122 0.1122-0.0000 ( 18964 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4968 -22.4968 -22.4521 -22.4521
-7.3941 -7.3941 -7.2197 -7.2197 -7.0742 -7.0742 -6.7281 -6.7281
-6.4535 -6.4535 -6.3349 -6.3349 -6.1577 -6.1577 -6.0511 -6.0511
2.4318 2.4318 2.6539 2.6539 2.8219 2.8219 3.3253 3.3253
3.6607 3.6607 3.8002 3.8002 6.7605 6.7605 7.5174 7.5174
8.0150 8.0150 8.7250 8.7250
k = 0.1020 0.1020-0.0000 ( 18966 PWs) bands (ev):
-40.9563 -40.9563 -40.9508 -40.9508 -22.4975 -22.4975 -22.4519 -22.4519
-7.3887 -7.3887 -7.2170 -7.2170 -7.0699 -7.0699 -6.7290 -6.7290
-6.4488 -6.4488 -6.3464 -6.3464 -6.1609 -6.1609 -6.0515 -6.0515
2.4254 2.4254 2.6717 2.6717 2.8395 2.8395 3.3637 3.3637
3.6805 3.6805 3.8026 3.8026 6.6934 6.6934 7.4755 7.4755
7.9899 7.9899 8.6605 8.6605
k = 0.0918 0.0918-0.0000 ( 18966 PWs) bands (ev):
-40.9563 -40.9563 -40.9507 -40.9507 -22.4982 -22.4982 -22.4516 -22.4516
-7.3830 -7.3830 -7.2161 -7.2161 -7.0637 -7.0637 -6.7307 -6.7307
-6.4440 -6.4440 -6.3575 -6.3575 -6.1649 -6.1649 -6.0517 -6.0517
2.4182 2.4182 2.6903 2.6903 2.8571 2.8571 3.3968 3.3968
3.6986 3.6986 3.8079 3.8079 6.6271 6.6271 7.4358 7.4358
7.9683 7.9683 8.6011 8.6011
k = 0.0816 0.0816-0.0000 ( 18960 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4988 -22.4988 -22.4514 -22.4514
-7.3773 -7.3773 -7.2166 -7.2166 -7.0560 -7.0560 -6.7330 -6.7330
-6.4391 -6.4391 -6.3679 -6.3679 -6.1695 -6.1695 -6.0516 -6.0516
2.4108 2.4108 2.7093 2.7093 2.8745 2.8745 3.4229 3.4229
3.7154 3.7154 3.8170 3.8170 6.5627 6.5627 7.3990 7.3990
7.9501 7.9501 8.5472 8.5472
k = 0.0714 0.0714-0.0000 ( 18954 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4993 -22.4993 -22.4511 -22.4511
-7.3716 -7.3716 -7.2183 -7.2183 -7.0472 -7.0472 -6.7360 -6.7360
-6.4343 -6.4343 -6.3776 -6.3776 -6.1746 -6.1746 -6.0514 -6.0514
2.4034 2.4034 2.7277 2.7277 2.8917 2.8917 3.4407 3.4407
3.7311 3.7311 3.8303 3.8303 6.5015 6.5015 7.3655 7.3655
7.9348 7.9348 8.4990 8.4990
k = 0.0612 0.0612-0.0000 ( 18944 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4998 -22.4998 -22.4510 -22.4510
-7.3660 -7.3660 -7.2207 -7.2207 -7.0379 -7.0379 -6.7396 -6.7396
-6.4297 -6.4297 -6.3862 -6.3862 -6.1797 -6.1797 -6.0510 -6.0510
2.3965 2.3965 2.7450 2.7450 2.9085 2.9085 3.4502 3.4502
3.7459 3.7459 3.8470 3.8470 6.4447 6.4447 7.3357 7.3357
7.9221 7.9221 8.4567 8.4567
k = 0.0510 0.0510-0.0000 ( 18946 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.5002 -22.5002 -22.4508 -22.4508
-7.3608 -7.3608 -7.2235 -7.2235 -7.0287 -7.0287 -6.7434 -6.7434
-6.4253 -6.4253 -6.3936 -6.3936 -6.1848 -6.1848 -6.0505 -6.0505
2.3903 2.3903 2.7605 2.7605 2.9245 2.9245 3.4528 3.4528
3.7595 3.7595 3.8659 3.8659 6.3936 6.3936 7.3099 7.3099
7.9119 7.9119 8.4205 8.4205
k = 0.0408 0.0408-0.0000 ( 18934 PWs) bands (ev):
-40.9565 -40.9565 -40.9505 -40.9505 -22.5005 -22.5005 -22.4507 -22.4507
-7.3562 -7.3562 -7.2264 -7.2264 -7.0201 -7.0201 -6.7473 -6.7473
-6.4214 -6.4214 -6.3999 -6.3999 -6.1894 -6.1894 -6.0501 -6.0501
2.3850 2.3850 2.7737 2.7737 2.9393 2.9393 3.4505 3.4505
3.7712 3.7712 3.8850 3.8850 6.3496 6.3496 7.2884 7.2884
7.9038 7.9038 8.3907 8.3907
k = 0.0306 0.0306-0.0000 ( 18933 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5007 -22.5007 -22.4506 -22.4506
-7.3522 -7.3522 -7.2291 -7.2291 -7.0128 -7.0128 -6.7508 -6.7508
-6.4182 -6.4182 -6.4048 -6.4048 -6.1934 -6.1934 -6.0496 -6.0496
2.3808 2.3808 2.7843 2.7843 2.9522 2.9522 3.4458 3.4458
3.7806 3.7806 3.9025 3.9025 6.3138 6.3138 7.2715 7.2715
7.8976 7.8976 8.3673 8.3673
k = 0.0204 0.0204-0.0000 ( 18929 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4505 -22.4505
-7.3492 -7.3492 -7.2312 -7.2312 -7.0070 -7.0070 -6.7537 -6.7537
-6.4157 -6.4157 -6.4083 -6.4083 -6.1965 -6.1965 -6.0493 -6.0493
2.3777 2.3777 2.7920 2.7920 2.9624 2.9624 3.4406 3.4406
3.7875 3.7875 3.9164 3.9164 6.2874 6.2874 7.2592 7.2592
7.8934 7.8934 8.3505 8.3505
k = 0.0102 0.0102-0.0000 ( 18913 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4504 -22.4504
-7.3473 -7.3473 -7.2326 -7.2326 -7.0034 -7.0034 -6.7556 -6.7556
-6.4142 -6.4142 -6.4104 -6.4104 -6.1984 -6.1984 -6.0491 -6.0491
2.3758 2.3758 2.7967 2.7967 2.9689 2.9689 3.4368 3.4368
3.7917 3.7917 3.9254 3.9254 6.2712 6.2712 7.2519 7.2519
7.8908 7.8908 8.3404 8.3404
k = 0.0000 0.0000 0.0000 ( 18897 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3467 -7.3467 -7.2331 -7.2331 -7.0022 -7.0022 -6.7563 -6.7563
-6.4137 -6.4137 -6.4111 -6.4111 -6.1991 -6.1991 -6.0490 -6.0490
2.3751 2.3751 2.7982 2.7982 2.9711 2.9711 3.4354 3.4354
3.7931 3.7931 3.9285 3.9285 6.2657 6.2657 7.2494 7.2494
7.8900 7.8900 8.3370 8.3370
k = 0.0000 0.0000 0.0000 ( 18897 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3467 -7.3467 -7.2331 -7.2331 -7.0022 -7.0022 -6.7563 -6.7563
-6.4137 -6.4137 -6.4111 -6.4111 -6.1991 -6.1991 -6.0490 -6.0490
2.3751 2.3751 2.7982 2.7982 2.9711 2.9711 3.4354 3.4354
3.7931 3.7931 3.9285 3.9285 6.2657 6.2657 7.2494 7.2494
7.8900 7.8900 8.3370 8.3370
k = 0.0000 0.0000 0.0147 ( 18897 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3472 -7.3472 -7.2340 -7.2340 -7.0007 -7.0007 -6.7561 -6.7561
-6.4141 -6.4141 -6.4111 -6.4111 -6.1991 -6.1991 -6.0484 -6.0484
2.3744 2.3744 2.7979 2.7979 2.9707 2.9707 3.4330 3.4330
3.7918 3.7918 3.9289 3.9289 6.2721 6.2721 7.2493 7.2493
7.8933 7.8933 8.3370 8.3370
k = 0.0000 0.0000 0.0294 ( 18933 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3489 -7.3489 -7.2365 -7.2365 -6.9966 -6.9966 -6.7558 -6.7558
-6.4152 -6.4152 -6.4110 -6.4110 -6.1992 -6.1992 -6.0467 -6.0467
2.3721 2.3721 2.7969 2.7969 2.9697 2.9697 3.4260 3.4260
3.7883 3.7883 3.9300 3.9300 6.2911 6.2911 7.2490 7.2490
7.9032 7.9032 8.3370 8.3370
k = 0.0000 0.0000 0.0441 ( 18933 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3518 -7.3518 -7.2405 -7.2405 -6.9900 -6.9900 -6.7551 -6.7551
-6.4170 -6.4170 -6.4109 -6.4109 -6.1993 -6.1993 -6.0439 -6.0439
2.3684 2.3684 2.7953 2.7953 2.9680 2.9680 3.4142 3.4142
3.7830 3.7830 3.9319 3.9319 6.3223 6.3223 7.2486 7.2486
7.9195 7.9195 8.3369 8.3369
k = 0.0000 0.0000 0.0588 ( 18901 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5011 -22.5011 -22.4504 -22.4504
-7.3558 -7.3558 -7.2452 -7.2452 -6.9816 -6.9816 -6.7543 -6.7543
-6.4193 -6.4193 -6.4107 -6.4107 -6.1995 -6.1995 -6.0401 -6.0401
2.3634 2.3634 2.7931 2.7931 2.9658 2.9658 3.3974 3.3974
3.7767 3.7767 3.9345 3.9345 6.3647 6.3647 7.2480 7.2480
7.9417 7.9417 8.3369 8.3369
k = 0.0000 0.0000 0.0734 ( 18921 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3609 -7.3609 -7.2504 -7.2504 -6.9718 -6.9718 -6.7531 -6.7531
-6.4222 -6.4222 -6.4105 -6.4105 -6.1997 -6.1997 -6.0355 -6.0355
2.3572 2.3572 2.7904 2.7904 2.9629 2.9629 3.3760 3.3760
3.7703 3.7703 3.9377 3.9377 6.4176 6.4176 7.2473 7.2473
7.9694 7.9694 8.3369 8.3369
k = 0.0000 0.0000 0.0881 ( 18937 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3671 -7.3671 -7.2556 -7.2556 -6.9612 -6.9612 -6.7517 -6.7517
-6.4254 -6.4254 -6.4102 -6.4102 -6.1999 -6.1999 -6.0302 -6.0302
2.3500 2.3500 2.7872 2.7872 2.9596 2.9596 3.3500 3.3500
3.7643 3.7643 3.9414 3.9414 6.4797 6.4797 7.2465 7.2465
8.0019 8.0019 8.3368 8.3368
k = 0.0000 0.0000 0.1028 ( 18938 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3741 -7.3741 -7.2606 -7.2606 -6.9501 -6.9501 -6.7500 -6.7500
-6.4289 -6.4289 -6.4100 -6.4100 -6.2002 -6.2002 -6.0243 -6.0243
2.3421 2.3421 2.7837 2.7837 2.9559 2.9559 3.3200 3.3200
3.7593 3.7593 3.9455 3.9455 6.5500 6.5500 7.2455 7.2455
8.0383 8.0383 8.3368 8.3368
k = 0.0000 0.0000 0.1175 ( 18934 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3818 -7.3818 -7.2651 -7.2651 -6.9390 -6.9390 -6.7479 -6.7479
-6.4325 -6.4325 -6.4096 -6.4096 -6.2005 -6.2005 -6.0181 -6.0181
2.3336 2.3336 2.7800 2.7800 2.9519 2.9519 3.2868 3.2868
3.7555 3.7555 3.9500 3.9500 6.6271 6.6271 7.2445 7.2445
8.0777 8.0777 8.3367 8.3367
k = 0.0000 0.0000 0.1322 ( 18962 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3900 -7.3900 -7.2691 -7.2691 -6.9283 -6.9283 -6.7457 -6.7457
-6.4360 -6.4360 -6.4093 -6.4093 -6.2009 -6.2009 -6.0116 -6.0116
2.3247 2.3247 2.7761 2.7761 2.9477 2.9477 3.2514 3.2514
3.7528 3.7528 3.9548 3.9548 6.7101 6.7101 7.2434 7.2434
8.1187 8.1187 8.3366 8.3366
k = 0.0000 0.0000 0.1469 ( 18974 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5010 -22.5010 -22.4505 -22.4505
-7.3984 -7.3984 -7.2727 -7.2727 -6.9181 -6.9181 -6.7431 -6.7431
-6.4394 -6.4394 -6.4090 -6.4090 -6.2012 -6.2012 -6.0051 -6.0051
2.3158 2.3158 2.7722 2.7722 2.9434 2.9434 3.2146 3.2146
3.7513 3.7513 3.9596 3.9596 6.7977 6.7977 7.2423 7.2423
8.1600 8.1600 8.3366 8.3366
k = 0.0000 0.0000 0.1616 ( 18990 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4068 -7.4068 -7.2758 -7.2758 -6.9086 -6.9086 -6.7404 -6.7404
-6.4427 -6.4427 -6.4086 -6.4086 -6.2016 -6.2016 -5.9987 -5.9987
2.3071 2.3071 2.7683 2.7683 2.9391 2.9391 3.1775 3.1775
3.7507 3.7507 3.9644 3.9644 6.8888 6.8888 7.2411 7.2411
8.1998 8.1998 8.3365 8.3365
k = 0.0000 0.0000 0.1763 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4150 -7.4150 -7.2785 -7.2785 -6.9001 -6.9001 -6.7375 -6.7375
-6.4456 -6.4456 -6.4083 -6.4083 -6.2019 -6.2019 -5.9925 -5.9925
2.2986 2.2986 2.7646 2.7646 2.9349 2.9349 3.1409 3.1409
3.7508 3.7508 3.9692 3.9692 6.9826 6.9826 7.2400 7.2400
8.2362 8.2362 8.3365 8.3365
k = 0.0000 0.0000 0.1910 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4227 -7.4227 -7.2809 -7.2809 -6.8925 -6.8925 -6.7345 -6.7345
-6.4482 -6.4482 -6.4080 -6.4080 -6.2023 -6.2023 -5.9866 -5.9866
2.2907 2.2907 2.7612 2.7612 2.9309 2.9309 3.1057 3.1057
3.7515 3.7515 3.9737 3.9737 7.0778 7.0778 7.2389 7.2389
8.2667 8.2667 8.3364 8.3364
k = 0.0000 0.0000 0.2056 ( 18986 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4299 -7.4299 -7.2829 -7.2829 -6.8859 -6.8859 -6.7316 -6.7316
-6.4505 -6.4505 -6.4077 -6.4077 -6.2026 -6.2026 -5.9812 -5.9812
2.2835 2.2835 2.7581 2.7581 2.9271 2.9271 3.0727 3.0727
3.7525 3.7525 3.9780 3.9780 7.1733 7.1733 7.2379 7.2379
8.2888 8.2888 8.3363 8.3363
k = 0.0000 0.0000 0.2203 ( 18986 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4363 -7.4363 -7.2846 -7.2846 -6.8803 -6.8803 -6.7288 -6.7288
-6.4524 -6.4524 -6.4074 -6.4074 -6.2029 -6.2029 -5.9763 -5.9763
2.2771 2.2771 2.7553 2.7553 2.9237 2.9237 3.0425 3.0425
3.7537 3.7537 3.9818 3.9818 7.2369 7.2369 7.2679 7.2679
8.3000 8.3000 8.3363 8.3363
k = 0.0000 0.0000 0.2350 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5009 -22.5009 -22.4506 -22.4506
-7.4420 -7.4420 -7.2860 -7.2860 -6.8757 -6.8757 -6.7262 -6.7262
-6.4540 -6.4540 -6.4071 -6.4071 -6.2031 -6.2031 -5.9720 -5.9720
2.2715 2.2715 2.7531 2.7531 2.9207 2.9207 3.0159 3.0159
3.7549 3.7549 3.9852 3.9852 7.2361 7.2361 7.3599 7.3599
8.2985 8.2985 8.3363 8.3363
k = 0.0000 0.0000 0.2497 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4506 -22.4506
-7.4467 -7.4467 -7.2871 -7.2871 -6.8720 -6.8720 -6.7240 -6.7240
-6.4552 -6.4552 -6.4069 -6.4069 -6.2034 -6.2034 -5.9685 -5.9685
2.2669 2.2669 2.7513 2.7513 2.9182 2.9182 2.9932 2.9932
3.7561 3.7561 3.9881 3.9881 7.2354 7.2354 7.4471 7.4471
8.2842 8.2842 8.3362 8.3362
k = 0.0000 0.0000 0.2644 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4506 -22.4506
-7.4504 -7.4504 -7.2880 -7.2880 -6.8692 -6.8692 -6.7221 -6.7221
-6.4562 -6.4562 -6.4067 -6.4067 -6.2035 -6.2035 -5.9656 -5.9656
2.2633 2.2633 2.7499 2.7499 2.9161 2.9161 2.9750 2.9750
3.7571 3.7571 3.9904 3.9904 7.2348 7.2348 7.5262 7.5262
8.2596 8.2596 8.3362 8.3362
k = 0.0000 0.0000 0.2791 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4531 -7.4531 -7.2886 -7.2886 -6.8673 -6.8673 -6.7208 -6.7208
-6.4568 -6.4568 -6.4066 -6.4066 -6.2037 -6.2037 -5.9636 -5.9636
2.2608 2.2608 2.7490 2.7490 2.9146 2.9146 2.9616 2.9616
3.7579 3.7579 3.9921 3.9921 7.2344 7.2344 7.5922 7.5922
8.2308 8.2308 8.3362 8.3362
k = 0.0000 0.0000 0.2938 ( 18998 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4547 -7.4547 -7.2890 -7.2890 -6.8661 -6.8661 -6.7199 -6.7199
-6.4572 -6.4572 -6.4065 -6.4065 -6.2038 -6.2038 -5.9623 -5.9623
2.2592 2.2592 2.7485 2.7485 2.9137 2.9137 2.9535 2.9535
3.7583 3.7583 3.9931 3.9931 7.2342 7.2342 7.6377 7.6377
8.2068 8.2068 8.3361 8.3361
k = 0.0000 0.0000 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4553 -7.4553 -7.2891 -7.2891 -6.8657 -6.8657 -6.7197 -6.7197
-6.4573 -6.4573 -6.4065 -6.4065 -6.2038 -6.2038 -5.9619 -5.9619
2.2587 2.2587 2.7483 2.7483 2.9134 2.9134 2.9508 2.9508
3.7585 3.7585 3.9934 3.9934 7.2341 7.2341 7.6542 7.6542
8.1973 8.1973 8.3361 8.3361
k = 0.0000 0.0000 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4553 -7.4553 -7.2891 -7.2891 -6.8657 -6.8657 -6.7197 -6.7197
-6.4573 -6.4573 -6.4065 -6.4065 -6.2038 -6.2038 -5.9619 -5.9619
2.2587 2.2587 2.7483 2.7483 2.9134 2.9134 2.9508 2.9508
3.7585 3.7585 3.9934 3.9934 7.2341 7.2341 7.6542 7.6542
8.1973 8.1973 8.3361 8.3361
k = 0.0000 0.0143 0.3085 ( 19012 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4559 -7.4559 -7.2886 -7.2886 -6.8675 -6.8675 -6.7186 -6.7186
-6.4573 -6.4573 -6.4061 -6.4061 -6.2031 -6.2031 -5.9620 -5.9620
2.2589 2.2589 2.7408 2.7408 2.8911 2.8911 2.9804 2.9804
3.7566 3.7566 3.9911 3.9911 7.2373 7.2373 7.6537 7.6537
8.2011 8.2011 8.3392 8.3392
k = 0.0000 0.0286 0.3085 ( 19012 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5007 -22.5007 -22.4507 -22.4507
-7.4577 -7.4577 -7.2873 -7.2873 -6.8727 -6.8727 -6.7157 -6.7157
-6.4574 -6.4574 -6.4052 -6.4052 -6.2010 -6.2010 -5.9622 -5.9622
2.2595 2.2595 2.7179 2.7179 2.8672 2.8672 3.0261 3.0261
3.7509 3.7509 3.9844 3.9844 7.2470 7.2470 7.6522 7.6522
8.2127 8.2127 8.3483 8.3483
k = 0.0000 0.0429 0.3085 ( 19024 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5005 -22.5005 -22.4508 -22.4508
-7.4606 -7.4606 -7.2852 -7.2852 -6.8807 -6.8807 -6.7114 -6.7114
-6.4574 -6.4574 -6.4035 -6.4035 -6.1977 -6.1977 -5.9625 -5.9625
2.2604 2.2604 2.6819 2.6819 2.8536 2.8536 3.0740 3.0740
3.7413 3.7413 3.9737 3.9737 7.2629 7.2629 7.6497 7.6497
8.2317 8.2317 8.3632 8.3632
k = 0.0000 0.0571 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9506 -40.9506 -22.5002 -22.5002 -22.4509 -22.4509
-7.4645 -7.4645 -7.2825 -7.2825 -6.8909 -6.8909 -6.7063 -6.7063
-6.4572 -6.4572 -6.4012 -6.4012 -6.1931 -6.1931 -5.9630 -5.9630
2.2615 2.2615 2.6377 2.6377 2.8474 2.8474 3.1221 3.1221
3.7277 3.7277 3.9597 3.9597 7.2847 7.2847 7.6464 7.6464
8.2579 8.2579 8.3835 8.3835
k = 0.0000 0.0714 0.3085 ( 19008 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4999 -22.4999 -22.4510 -22.4510
-7.4692 -7.4692 -7.2794 -7.2794 -6.9025 -6.9025 -6.7011 -6.7011
-6.4568 -6.4568 -6.3981 -6.3981 -6.1876 -6.1876 -5.9636 -5.9636
2.2626 2.2626 2.5897 2.5897 2.8455 2.8455 3.1691 3.1691
3.7099 3.7099 3.9431 3.9431 7.3120 7.3120 7.6421 7.6421
8.2908 8.2908 8.4087 8.4087
k = 0.0000 0.0857 0.3085 ( 18988 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4995 -22.4995 -22.4512 -22.4512
-7.4746 -7.4746 -7.2762 -7.2762 -6.9150 -6.9150 -6.6963 -6.6963
-6.4560 -6.4560 -6.3945 -6.3945 -6.1812 -6.1812 -5.9642 -5.9642
2.2632 2.2632 2.5405 2.5405 2.8461 2.8461 3.2143 3.2143
3.6881 3.6881 3.9247 3.9247 7.3443 7.3443 7.6371 7.6371
8.3298 8.3298 8.4378 8.4378
k = 0.0000 0.1000 0.3085 ( 18986 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4991 -22.4991 -22.4514 -22.4514
-7.4805 -7.4805 -7.2732 -7.2732 -6.9279 -6.9279 -6.6920 -6.6920
-6.4546 -6.4546 -6.3901 -6.3901 -6.1742 -6.1742 -5.9650 -5.9650
2.2628 2.2628 2.4920 2.4920 2.8483 2.8483 3.2569 3.2569
3.6625 3.6625 3.9054 3.9054 7.3810 7.3810 7.6314 7.6314
8.3739 8.3739 8.4698 8.4698
k = 0.0000 0.1143 0.3085 ( 18982 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4986 -22.4986 -22.4516 -22.4516
-7.4868 -7.4868 -7.2706 -7.2706 -6.9408 -6.9408 -6.6887 -6.6887
-6.4527 -6.4527 -6.3850 -6.3850 -6.1668 -6.1668 -5.9658 -5.9658
2.2601 2.2601 2.4459 2.4459 2.8516 2.8516 3.2961 3.2961
3.6339 3.6339 3.8856 3.8856 7.4218 7.4218 7.6253 7.6253
8.4221 8.4221 8.5030 8.5030
k = 0.0000 0.1286 0.3085 ( 18988 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4980 -22.4980 -22.4518 -22.4518
-7.4933 -7.4933 -7.2687 -7.2687 -6.9531 -6.9531 -6.6864 -6.6864
-6.4501 -6.4501 -6.3793 -6.3793 -6.1590 -6.1590 -5.9666 -5.9666
2.2532 2.2532 2.4046 2.4046 2.8559 2.8559 3.3305 3.3305
3.6040 3.6040 3.8658 3.8658 7.4660 7.4660 7.6189 7.6189
8.4732 8.4732 8.5358 8.5358
k = 0.0000 0.1429 0.3085 ( 18976 PWs) bands (ev):
-40.9563 -40.9563 -40.9508 -40.9508 -22.4973 -22.4973 -22.4521 -22.4521
-7.5000 -7.5000 -7.2679 -7.2679 -6.9646 -6.9646 -6.6852 -6.6852
-6.4468 -6.4468 -6.3730 -6.3730 -6.1512 -6.1512 -5.9675 -5.9675
2.2388 2.2388 2.3714 2.3714 2.8610 2.8610 3.3579 3.3579
3.5753 3.5753 3.8461 3.8461 7.5130 7.5130 7.6125 7.6125
8.5255 8.5255 8.5664 8.5664
k = 0.0000 0.1571 0.3085 ( 18972 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4966 -22.4966 -22.4524 -22.4524
-7.5067 -7.5067 -7.2684 -7.2684 -6.9747 -6.9747 -6.6851 -6.6851
-6.4428 -6.4428 -6.3660 -6.3660 -6.1435 -6.1435 -5.9683 -5.9683
2.2146 2.2146 2.3489 2.3489 2.8668 2.8668 3.3745 3.3745
3.5524 3.5524 3.8266 3.8266 7.5618 7.5618 7.6070 7.6070
8.5770 8.5770 8.5933 8.5933
k = 0.0000 0.1714 0.3085 ( 18980 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4959 -22.4959 -22.4528 -22.4528
-7.5133 -7.5133 -7.2704 -7.2704 -6.9833 -6.9833 -6.6861 -6.6861
-6.4382 -6.4382 -6.3585 -6.3585 -6.1360 -6.1360 -5.9690 -5.9690
2.1820 2.1820 2.3355 2.3355 2.8732 2.8732 3.3754 3.3754
3.5408 3.5408 3.8075 3.8075 7.5945 7.5945 7.6198 7.6198
8.6158 8.6158 8.6259 8.6259
k = 0.0000 0.1857 0.3085 ( 18970 PWs) bands (ev):
-40.9561 -40.9561 -40.9510 -40.9510 -22.4950 -22.4950 -22.4532 -22.4532
-7.5198 -7.5198 -7.2743 -7.2743 -6.9900 -6.9900 -6.6880 -6.6880
-6.4331 -6.4331 -6.3505 -6.3505 -6.1288 -6.1288 -5.9697 -5.9697
2.1447 2.1447 2.3273 2.3273 2.8801 2.8801 3.3601 3.3601
3.5417 3.5417 3.7889 3.7889 7.5919 7.5919 7.6702 7.6702
8.6343 8.6343 8.6695 8.6695
k = 0.0000 0.2000 0.3085 ( 18958 PWs) bands (ev):
-40.9560 -40.9560 -40.9511 -40.9511 -22.4942 -22.4942 -22.4536 -22.4536
-7.5261 -7.5261 -7.2800 -7.2800 -6.9946 -6.9946 -6.6908 -6.6908
-6.4274 -6.4274 -6.3421 -6.3421 -6.1222 -6.1222 -5.9702 -5.9702
2.1060 2.1060 2.3210 2.3210 2.8876 2.8876 3.3345 3.3345
3.5499 3.5499 3.7709 3.7709 7.5876 7.5876 7.7241 7.7241
8.6493 8.6493 8.7059 8.7059
k = 0.0000 0.2143 0.3085 ( 18954 PWs) bands (ev):
-40.9559 -40.9559 -40.9511 -40.9511 -22.4933 -22.4933 -22.4540 -22.4540
-7.5321 -7.5321 -7.2875 -7.2875 -6.9972 -6.9972 -6.6943 -6.6943
-6.4214 -6.4214 -6.3334 -6.3334 -6.1160 -6.1160 -5.9706 -5.9706
2.0674 2.0674 2.3145 2.3145 2.8954 2.8954 3.3049 3.3049
3.5595 3.5595 3.7541 3.7541 7.5842 7.5842 7.7786 7.7786
8.6616 8.6616 8.7333 8.7333
k = 0.0000 0.2286 0.3085 ( 18962 PWs) bands (ev):
-40.9558 -40.9558 -40.9512 -40.9512 -22.4923 -22.4923 -22.4545 -22.4545
-7.5379 -7.5379 -7.2967 -7.2967 -6.9978 -6.9978 -6.6986 -6.6986
-6.4149 -6.4149 -6.3244 -6.3244 -6.1105 -6.1105 -5.9709 -5.9709
2.0301 2.0301 2.3068 2.3068 2.9037 2.9037 3.2753 3.2753
3.5668 3.5668 3.7388 3.7388 7.5821 7.5821 7.8329 7.8329
8.6721 8.6721 8.7510 8.7510
k = 0.0000 0.2429 0.3085 ( 18958 PWs) bands (ev):
-40.9557 -40.9557 -40.9513 -40.9513 -22.4913 -22.4913 -22.4550 -22.4550
-7.5432 -7.5432 -7.3075 -7.3075 -6.9966 -6.9966 -6.7035 -6.7035
-6.4082 -6.4082 -6.3154 -6.3154 -6.1055 -6.1055 -5.9711 -5.9711
1.9945 1.9945 2.2969 2.2969 2.9123 2.9123 3.2480 3.2480
3.5698 3.5698 3.7256 3.7256 7.5816 7.5816 7.8861 7.8861
8.6815 8.6815 8.7594 8.7594
k = 0.0000 0.2571 0.3085 ( 18972 PWs) bands (ev):
-40.9556 -40.9556 -40.9514 -40.9514 -22.4903 -22.4903 -22.4556 -22.4556
-7.5481 -7.5481 -7.3196 -7.3196 -6.9937 -6.9937 -6.7089 -6.7089
-6.4012 -6.4012 -6.3064 -6.3064 -6.1012 -6.1012 -5.9712 -5.9712
1.9611 1.9611 2.2843 2.2843 2.9211 2.9211 3.2245 3.2245
3.5675 3.5675 3.7148 3.7148 7.5830 7.5830 7.9373 7.9373
8.6902 8.6902 8.7598 8.7598
k = 0.0000 0.2714 0.3085 ( 18976 PWs) bands (ev):
-40.9555 -40.9555 -40.9515 -40.9515 -22.4892 -22.4892 -22.4561 -22.4561
-7.5526 -7.5526 -7.3326 -7.3326 -6.9894 -6.9894 -6.7147 -6.7147
-6.3939 -6.3939 -6.2975 -6.2975 -6.0973 -6.0973 -5.9712 -5.9712
1.9301 1.9301 2.2687 2.2687 2.9302 2.9302 3.2057 3.2057
3.5598 3.5598 3.7063 3.7063 7.5863 7.5863 7.9855 7.9855
8.6986 8.6986 8.7544 8.7544
k = 0.0000 0.2857 0.3085 ( 18988 PWs) bands (ev):
-40.9554 -40.9554 -40.9516 -40.9516 -22.4881 -22.4881 -22.4568 -22.4568
-7.5565 -7.5565 -7.3464 -7.3464 -6.9839 -6.9839 -6.7210 -6.7210
-6.3865 -6.3865 -6.2890 -6.2890 -6.0938 -6.0938 -5.9713 -5.9713
1.9017 1.9017 2.2498 2.2498 2.9396 2.9396 3.1921 3.1921
3.5474 3.5474 3.6990 3.6990 7.5919 7.5919 8.0294 8.0294
8.7068 8.7068 8.7454 8.7454
k = 0.0000 0.3000 0.3085 ( 18976 PWs) bands (ev):
-40.9553 -40.9553 -40.9517 -40.9517 -22.4870 -22.4870 -22.4574 -22.4574
-7.5599 -7.5599 -7.3607 -7.3607 -6.9773 -6.9773 -6.7277 -6.7277
-6.3790 -6.3790 -6.2810 -6.2810 -6.0906 -6.0906 -5.9715 -5.9715
1.8761 1.8761 2.2278 2.2278 2.9494 2.9494 3.1838 3.1838
3.5314 3.5314 3.6921 3.6921 7.5997 7.5997 8.0676 8.0676
8.7150 8.7150 8.7354 8.7354
k = 0.0000 0.3143 0.3085 ( 18990 PWs) bands (ev):
-40.9552 -40.9552 -40.9518 -40.9518 -22.4858 -22.4858 -22.4581 -22.4581
-7.5627 -7.5627 -7.3752 -7.3752 -6.9700 -6.9700 -6.7347 -6.7347
-6.3713 -6.3713 -6.2736 -6.2736 -6.0875 -6.0875 -5.9720 -5.9720
1.8533 1.8533 2.2030 2.2030 2.9598 2.9598 3.1806 3.1806
3.5128 3.5128 3.6845 3.6845 7.6098 7.6098 8.0988 8.0988
8.7231 8.7231 8.7265 8.7265
k = 0.0000 0.3286 0.3085 ( 18996 PWs) bands (ev):
-40.9551 -40.9551 -40.9520 -40.9520 -22.4846 -22.4846 -22.4589 -22.4589
-7.5648 -7.5648 -7.3899 -7.3899 -6.9620 -6.9620 -6.7420 -6.7420
-6.3635 -6.3635 -6.2671 -6.2671 -6.0843 -6.0843 -5.9726 -5.9726
1.8335 1.8335 2.1756 2.1756 2.9709 2.9709 3.1821 3.1821
3.4925 3.4925 3.6755 3.6755 7.6222 7.6222 8.1219 8.1219
8.7202 8.7202 8.7314 8.7314
k = 0.0000 0.3429 0.3085 ( 19006 PWs) bands (ev):
-40.9550 -40.9550 -40.9521 -40.9521 -22.4834 -22.4834 -22.4596 -22.4596
-7.5663 -7.5663 -7.4044 -7.4044 -6.9535 -6.9535 -6.7496 -6.7496
-6.3556 -6.3556 -6.2615 -6.2615 -6.0809 -6.0809 -5.9737 -5.9737
1.8168 1.8168 2.1464 2.1464 2.9829 2.9829 3.1877 3.1877
3.4712 3.4712 3.6648 3.6648 7.6368 7.6368 8.1359 8.1359
8.7182 8.7182 8.7396 8.7396
k = 0.0000 0.3571 0.3085 ( 19000 PWs) bands (ev):
-40.9548 -40.9548 -40.9522 -40.9522 -22.4822 -22.4822 -22.4604 -22.4604
-7.5671 -7.5671 -7.4187 -7.4187 -6.9445 -6.9445 -6.7574 -6.7574
-6.3477 -6.3477 -6.2570 -6.2570 -6.0771 -6.0771 -5.9751 -5.9751
1.8032 1.8032 2.1157 2.1157 2.9959 2.9959 3.1965 3.1965
3.4496 3.4496 3.6522 3.6522 7.6537 7.6537 8.1407 8.1407
8.7205 8.7205 8.7477 8.7477
k = 0.0000 0.3714 0.3085 ( 18994 PWs) bands (ev):
-40.9547 -40.9547 -40.9523 -40.9523 -22.4810 -22.4810 -22.4613 -22.4613
-7.5671 -7.5671 -7.4327 -7.4327 -6.9353 -6.9353 -6.7655 -6.7655
-6.3398 -6.3398 -6.2538 -6.2538 -6.0729 -6.0729 -5.9770 -5.9770
1.7927 1.7927 2.0842 2.0842 3.0100 3.0100 3.2078 3.2078
3.4281 3.4281 3.6377 3.6377 7.6727 7.6727 8.1370 8.1370
8.7268 8.7268 8.7557 8.7557
k = 0.0000 0.3857 0.3085 ( 19006 PWs) bands (ev):
-40.9546 -40.9546 -40.9524 -40.9524 -22.4798 -22.4798 -22.4622 -22.4622
-7.5664 -7.5664 -7.4463 -7.4463 -6.9257 -6.9257 -6.7738 -6.7738
-6.3319 -6.3319 -6.2518 -6.2518 -6.0681 -6.0681 -5.9794 -5.9794
1.7855 1.7855 2.0524 2.0524 3.0252 3.0252 3.2205 3.2205
3.4076 3.4076 3.6212 3.6212 7.6937 7.6937 8.1258 8.1258
8.7359 8.7359 8.7634 8.7634
k = 0.0000 0.4000 0.3085 ( 18998 PWs) bands (ev):
-40.9545 -40.9545 -40.9526 -40.9526 -22.4786 -22.4786 -22.4631 -22.4631
-7.5650 -7.5650 -7.4594 -7.4594 -6.9160 -6.9160 -6.7823 -6.7823
-6.3241 -6.3241 -6.2510 -6.2510 -6.0628 -6.0628 -5.9824 -5.9824
1.7814 1.7814 2.0208 2.0208 3.0415 3.0415 3.2331 3.2331
3.3893 3.3893 3.6030 3.6030 7.7165 7.7165 8.1087 8.1087
8.7467 8.7467 8.7707 8.7707
k = 0.0000 0.4143 0.3085 ( 19006 PWs) bands (ev):
-40.9543 -40.9543 -40.9527 -40.9527 -22.4774 -22.4774 -22.4640 -22.4640
-7.5627 -7.5627 -7.4719 -7.4719 -6.9062 -6.9062 -6.7911 -6.7911
-6.3163 -6.3163 -6.2515 -6.2515 -6.0569 -6.0569 -5.9859 -5.9859
1.7804 1.7804 1.9900 1.9900 3.0588 3.0588 3.2433 3.2433
3.3752 3.3752 3.5831 3.5831 7.7410 7.7410 8.0869 8.0869
8.7578 8.7578 8.7776 8.7776
k = 0.0000 0.4286 0.3085 ( 18992 PWs) bands (ev):
-40.9542 -40.9542 -40.9528 -40.9528 -22.4762 -22.4762 -22.4650 -22.4650
-7.5596 -7.5596 -7.4837 -7.4837 -6.8963 -6.8963 -6.8000 -6.8000
-6.3087 -6.3087 -6.2531 -6.2531 -6.0507 -6.0507 -5.9899 -5.9899
1.7827 1.7827 1.9602 1.9602 3.0770 3.0770 3.2478 3.2478
3.3684 3.3684 3.5619 3.5619 7.7670 7.7670 8.0617 8.0617
8.7684 8.7684 8.7838 8.7838
k = 0.0000 0.4429 0.3085 ( 19012 PWs) bands (ev):
-40.9541 -40.9541 -40.9530 -40.9530 -22.4750 -22.4750 -22.4660 -22.4660
-7.5557 -7.5557 -7.4948 -7.4948 -6.8864 -6.8864 -6.8091 -6.8091
-6.3013 -6.3013 -6.2558 -6.2558 -6.0442 -6.0442 -5.9945 -5.9945
1.7880 1.7880 1.9320 1.9320 3.0960 3.0960 3.2438 3.2438
3.3715 3.3715 3.5396 3.5396 7.7944 7.7944 8.0341 8.0341
8.7777 8.7777 8.7891 8.7891
k = 0.0000 0.4571 0.3085 ( 19024 PWs) bands (ev):
-40.9539 -40.9539 -40.9531 -40.9531 -22.4738 -22.4738 -22.4670 -22.4670
-7.5510 -7.5510 -7.5053 -7.5053 -6.8764 -6.8764 -6.8183 -6.8183
-6.2941 -6.2941 -6.2593 -6.2593 -6.0375 -6.0375 -5.9996 -5.9996
1.7964 1.7964 1.9055 1.9055 3.1156 3.1156 3.2321 3.2321
3.3834 3.3834 3.5164 3.5164 7.8229 7.8229 8.0049 8.0049
8.7854 8.7854 8.7933 8.7933
k = 0.0000 0.4714 0.3085 ( 19028 PWs) bands (ev):
-40.9538 -40.9538 -40.9532 -40.9532 -22.4726 -22.4726 -22.4681 -22.4681
-7.5454 -7.5454 -7.5149 -7.5149 -6.8665 -6.8665 -6.8277 -6.8277
-6.2871 -6.2871 -6.2637 -6.2637 -6.0307 -6.0307 -6.0052 -6.0052
1.8078 1.8078 1.8811 1.8811 3.1358 3.1358 3.2157 3.2157
3.4012 3.4012 3.4926 3.4926 7.8524 7.8524 7.9747 7.9747
8.7913 8.7913 8.7962 8.7962
k = 0.0000 0.4857 0.3085 ( 19020 PWs) bands (ev):
-40.9537 -40.9537 -40.9534 -40.9534 -22.4715 -22.4715 -22.4692 -22.4692
-7.5390 -7.5390 -7.5238 -7.5238 -6.8567 -6.8567 -6.8373 -6.8373
-6.2806 -6.2806 -6.2687 -6.2687 -6.0240 -6.0240 -6.0111 -6.0111
1.8221 1.8221 1.8589 1.8589 3.1562 3.1562 3.1968 3.1968
3.4222 3.4222 3.4687 3.4687 7.8825 7.8825 7.9440 7.9440
8.7952 8.7952 8.7976 8.7976
k = 0.0000 0.5000 0.3085 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5318 -7.5318 -7.5318 -7.5318 -6.8469 -6.8469 -6.8469 -6.8469
-6.2744 -6.2744 -6.2744 -6.2744 -6.0174 -6.0174 -6.0174 -6.0174
1.8392 1.8392 1.8392 1.8392 3.1767 3.1767 3.1767 3.1767
3.4450 3.4450 3.4450 3.4450 7.9131 7.9131 7.9131 7.9131
8.7973 8.7973 8.7973 8.7973
k = 0.0000 0.5000 0.3085 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5318 -7.5318 -7.5318 -7.5318 -6.8469 -6.8469 -6.8469 -6.8469
-6.2744 -6.2744 -6.2744 -6.2744 -6.0174 -6.0174 -6.0174 -6.0174
1.8392 1.8392 1.8392 1.8392 3.1767 3.1767 3.1767 3.1767
3.4450 3.4450 3.4450 3.4450 7.9131 7.9131 7.9131 7.9131
8.7973 8.7973 8.7973 8.7973
k = 0.0143 0.5000 0.3085 ( 19024 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5319 -7.5319 -7.5309 -7.5309 -6.8492 -6.8492 -6.8448 -6.8448
-6.2774 -6.2774 -6.2718 -6.2718 -6.0188 -6.0188 -6.0169 -6.0169
1.8391 1.8391 1.8407 1.8407 3.1690 3.1690 3.1821 3.1821
3.4394 3.4394 3.4493 3.4493 7.9134 7.9134 7.9150 7.9150
8.7998 8.7998 8.8009 8.8009
k = 0.0286 0.5000 0.3085 ( 19016 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5313 -7.5313 -7.5293 -7.5293 -6.8517 -6.8517 -6.8428 -6.8428
-6.2808 -6.2808 -6.2696 -6.2696 -6.0211 -6.0211 -6.0172 -6.0172
1.8403 1.8403 1.8436 1.8436 3.1590 3.1590 3.1852 3.1852
3.4325 3.4325 3.4523 3.4523 7.9158 7.9158 7.9191 7.9191
8.8084 8.8084 8.8104 8.8104
k = 0.0429 0.5000 0.3085 ( 18996 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4702 -22.4702 -22.4702 -22.4702
-7.5298 -7.5298 -7.5269 -7.5269 -6.8543 -6.8543 -6.8410 -6.8410
-6.2846 -6.2846 -6.2677 -6.2677 -6.0242 -6.0242 -6.0184 -6.0184
1.8429 1.8429 1.8479 1.8479 3.1469 3.1469 3.1859 3.1859
3.4244 3.4244 3.4538 3.4538 7.9203 7.9203 7.9251 7.9251
8.8228 8.8228 8.8260 8.8260
k = 0.0571 0.5000 0.3085 ( 18988 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4702 -22.4702 -22.4702 -22.4702
-7.5277 -7.5277 -7.5237 -7.5237 -6.8570 -6.8570 -6.8394 -6.8394
-6.2888 -6.2888 -6.2663 -6.2663 -6.0282 -6.0282 -6.0204 -6.0204
1.8468 1.8468 1.8535 1.8535 3.1328 3.1328 3.1842 3.1842
3.4154 3.4154 3.4539 3.4539 7.9268 7.9268 7.9331 7.9331
8.8430 8.8430 8.8472 8.8472
k = 0.0714 0.5000 0.3085 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4701 -22.4701 -22.4701 -22.4701
-7.5247 -7.5247 -7.5198 -7.5198 -6.8599 -6.8599 -6.8379 -6.8379
-6.2933 -6.2933 -6.2652 -6.2652 -6.0331 -6.0331 -6.0233 -6.0233
1.8519 1.8519 1.8605 1.8605 3.1167 3.1167 3.1801 3.1801
3.4054 3.4054 3.4527 3.4527 7.9351 7.9351 7.9430 7.9430
8.8687 8.8687 8.8740 8.8740
k = 0.0857 0.5000 0.3085 ( 19000 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4700 -22.4700 -22.4700 -22.4700
-7.5211 -7.5211 -7.5151 -7.5151 -6.8629 -6.8629 -6.8365 -6.8365
-6.2983 -6.2983 -6.2645 -6.2645 -6.0388 -6.0388 -6.0269 -6.0269
1.8583 1.8583 1.8688 1.8688 3.0989 3.0989 3.1737 3.1737
3.3946 3.3946 3.4501 3.4501 7.9451 7.9451 7.9544 7.9544
8.8995 8.8995 8.9058 8.9058
k = 0.1000 0.5000 0.3085 ( 18996 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4698 -22.4698 -22.4698 -22.4698
-7.5168 -7.5168 -7.5098 -7.5098 -6.8659 -6.8659 -6.8354 -6.8354
-6.3035 -6.3035 -6.2641 -6.2641 -6.0454 -6.0454 -6.0312 -6.0312
1.8658 1.8658 1.8783 1.8783 3.0794 3.0794 3.1651 3.1651
3.3831 3.3831 3.4462 3.4462 7.9567 7.9567 7.9674 7.9674
8.9349 8.9349 8.9423 8.9423
k = 0.1143 0.5000 0.3085 ( 19016 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4697 -22.4697 -22.4697 -22.4697
-7.5118 -7.5118 -7.5038 -7.5038 -6.8691 -6.8691 -6.8343 -6.8343
-6.3091 -6.3091 -6.2641 -6.2641 -6.0527 -6.0527 -6.0363 -6.0363
1.8744 1.8744 1.8891 1.8891 3.0584 3.0584 3.1544 3.1544
3.3710 3.3710 3.4411 3.4411 7.9696 7.9696 7.9816 7.9816
8.9743 8.9743 8.9827 8.9827
k = 0.1286 0.5000 0.3085 ( 19020 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4695 -22.4695 -22.4695 -22.4695
-7.5062 -7.5062 -7.4971 -7.4971 -6.8722 -6.8722 -6.8333 -6.8333
-6.3150 -6.3150 -6.2644 -6.2644 -6.0609 -6.0609 -6.0421 -6.0421
1.8840 1.8840 1.9010 1.9010 3.0362 3.0362 3.1418 3.1418
3.3585 3.3585 3.4348 3.4348 7.9838 7.9838 7.9970 7.9970
9.0169 9.0169 9.0264 9.0264
k = 0.1429 0.5000 0.3085 ( 19016 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4694 -22.4694 -22.4694 -22.4694
-7.5000 -7.5000 -7.4899 -7.4899 -6.8754 -6.8754 -6.8325 -6.8325
-6.3213 -6.3213 -6.2650 -6.2650 -6.0697 -6.0697 -6.0484 -6.0484
1.8945 1.8945 1.9140 1.9140 3.0129 3.0129 3.1274 3.1274
3.3456 3.3456 3.4273 3.4273 7.9990 7.9990 8.0133 8.0133
9.0617 9.0617 9.0724 9.0724
k = 0.1571 0.5000 0.3085 ( 19020 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4692 -22.4692 -22.4692 -22.4692
-7.4932 -7.4932 -7.4821 -7.4821 -6.8785 -6.8785 -6.8317 -6.8317
-6.3278 -6.3278 -6.2659 -6.2659 -6.0793 -6.0793 -6.0554 -6.0554
1.9059 1.9059 1.9281 1.9281 2.9887 2.9887 3.1115 3.1115
3.3322 3.3322 3.4188 3.4188 8.0151 8.0151 8.0305 8.0305
9.1078 9.1078 9.1196 9.1196
k = 0.1714 0.5000 0.3085 ( 19036 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4690 -22.4690 -22.4690 -22.4690
-7.4859 -7.4859 -7.4738 -7.4738 -6.8816 -6.8816 -6.8310 -6.8310
-6.3345 -6.3345 -6.2670 -6.2670 -6.0895 -6.0895 -6.0629 -6.0629
1.9180 1.9180 1.9430 1.9430 2.9639 2.9639 3.0944 3.0944
3.3186 3.3186 3.4093 3.4093 8.0321 8.0321 8.0483 8.0483
9.1539 9.1539 9.1669 9.1669
k = 0.1857 0.5000 0.3085 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4688 -22.4688 -22.4688 -22.4688
-7.4782 -7.4782 -7.4650 -7.4650 -6.8846 -6.8846 -6.8304 -6.8304
-6.3415 -6.3415 -6.2685 -6.2685 -6.1003 -6.1003 -6.0709 -6.0709
1.9308 1.9308 1.9588 1.9588 2.9386 2.9386 3.0762 3.0762
3.3046 3.3046 3.3988 3.3988 8.0497 8.0497 8.0667 8.0667
9.1987 9.1987 9.2130 9.2130
k = 0.2000 0.5000 0.3085 ( 19020 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4686 -22.4686 -22.4685 -22.4685
-7.4700 -7.4700 -7.4559 -7.4559 -6.8874 -6.8874 -6.8297 -6.8297
-6.3488 -6.3488 -6.2703 -6.2703 -6.1116 -6.1116 -6.0792 -6.0792
1.9442 1.9442 1.9753 1.9753 2.9130 2.9130 3.0573 3.0573
3.2903 3.2903 3.3876 3.3876 8.0679 8.0679 8.0854 8.0854
9.2408 9.2408 9.2567 9.2567
k = 0.2143 0.5000 0.3085 ( 19028 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4683 -22.4683 -22.4683 -22.4683
-7.4615 -7.4615 -7.4464 -7.4464 -6.8900 -6.8900 -6.8291 -6.8291
-6.3562 -6.3562 -6.2724 -6.2724 -6.1233 -6.1233 -6.0879 -6.0879
1.9581 1.9581 1.9925 1.9925 2.8874 2.8874 3.0377 3.0377
3.2759 3.2759 3.3755 3.3755 8.0865 8.0865 8.1044 8.1044
9.2791 9.2791 9.2967 9.2967
k = 0.2286 0.5000 0.3085 ( 19024 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4681 -22.4681 -22.4681 -22.4681
-7.4527 -7.4527 -7.4367 -7.4367 -6.8923 -6.8923 -6.8284 -6.8284
-6.3638 -6.3638 -6.2749 -6.2749 -6.1352 -6.1352 -6.0968 -6.0968
1.9723 1.9723 2.0101 2.0101 2.8620 2.8620 3.0179 3.0179
3.2612 3.2612 3.3628 3.3628 8.1053 8.1053 8.1235 8.1235
9.3122 9.3122 9.3319 9.3319
k = 0.2429 0.5000 0.3085 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4679 -22.4679 -22.4679 -22.4679
-7.4437 -7.4437 -7.4268 -7.4268 -6.8943 -6.8943 -6.8277 -6.8277
-6.3716 -6.3716 -6.2778 -6.2778 -6.1472 -6.1472 -6.1059 -6.1059
1.9868 1.9868 2.0282 2.0282 2.8370 2.8370 2.9978 2.9978
3.2465 3.2465 3.3495 3.3495 8.1243 8.1243 8.1426 8.1426
9.3393 9.3393 9.3612 9.3612
k = 0.2571 0.5000 0.3085 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4676 -22.4676 -22.4676 -22.4676
-7.4345 -7.4345 -7.4168 -7.4168 -6.8959 -6.8959 -6.8270 -6.8270
-6.3795 -6.3795 -6.2814 -6.2814 -6.1592 -6.1592 -6.1151 -6.1151
2.0015 2.0015 2.0465 2.0465 2.8126 2.8126 2.9778 2.9778
3.2318 3.2318 3.3356 3.3356 8.1434 8.1434 8.1616 8.1616
9.3598 9.3598 9.3839 9.3839
k = 0.2714 0.5000 0.3085 ( 19008 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4674 -22.4674 -22.4674 -22.4674
-7.4252 -7.4252 -7.4069 -7.4069 -6.8971 -6.8971 -6.8262 -6.8262
-6.3875 -6.3875 -6.2856 -6.2856 -6.1709 -6.1709 -6.1243 -6.1243
2.0164 2.0164 2.0649 2.0649 2.7890 2.7890 2.9579 2.9579
3.2171 3.2171 3.3213 3.3213 8.1623 8.1623 8.1803 8.1803
9.3734 9.3734 9.3996 9.3996
k = 0.2857 0.5000 0.3085 ( 19008 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4672 -22.4672 -22.4672 -22.4672
-7.4159 -7.4159 -7.3971 -7.3971 -6.8978 -6.8978 -6.8253 -6.8253
-6.3955 -6.3955 -6.2906 -6.2906 -6.1821 -6.1821 -6.1334 -6.1334
2.0312 2.0312 2.0832 2.0832 2.7664 2.7664 2.9382 2.9382
3.2027 3.2027 3.3066 3.3066 8.1810 8.1810 8.1985 8.1985
9.3806 9.3806 9.4084 9.4084
k = 0.3000 0.5000 0.3085 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4670 -22.4670 -22.4670 -22.4670
-7.4067 -7.4067 -7.3875 -7.3875 -6.8979 -6.8979 -6.8244 -6.8244
-6.4035 -6.4035 -6.2967 -6.2967 -6.1924 -6.1924 -6.1424 -6.1424
2.0460 2.0460 2.1012 2.1012 2.7450 2.7450 2.9188 2.9188
3.1887 3.1887 3.2916 3.2916 8.1993 8.1993 8.2162 8.2162
9.3821 9.3821 9.4107 9.4107
k = 0.3143 0.5000 0.3085 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4667 -22.4667 -22.4667 -22.4667
-7.3976 -7.3976 -7.3782 -7.3782 -6.8974 -6.8974 -6.8234 -6.8234
-6.4114 -6.4114 -6.3039 -6.3039 -6.2016 -6.2016 -6.1512 -6.1512
2.0606 2.0606 2.1188 2.1188 2.7251 2.7251 2.8997 2.8997
3.1751 3.1751 3.2765 3.2765 8.2172 8.2172 8.2333 8.2333
9.3789 9.3789 9.4077 9.4077
k = 0.3286 0.5000 0.3085 ( 18988 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4665 -22.4665 -22.4665 -22.4665
-7.3887 -7.3887 -7.3693 -7.3693 -6.8963 -6.8963 -6.8224 -6.8224
-6.4191 -6.4191 -6.3124 -6.3124 -6.2096 -6.2096 -6.1596 -6.1596
2.0750 2.0750 2.1358 2.1358 2.7068 2.7068 2.8809 2.8809
3.1623 3.1623 3.2614 3.2614 8.2343 8.2343 8.2495 8.2495
9.3722 9.3722 9.4005 9.4005
k = 0.3429 0.5000 0.3085 ( 18992 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4663 -22.4663 -22.4663 -22.4663
-7.3802 -7.3802 -7.3609 -7.3609 -6.8944 -6.8944 -6.8215 -6.8215
-6.4265 -6.4265 -6.3222 -6.3222 -6.2162 -6.2162 -6.1678 -6.1678
2.0892 2.0892 2.1518 2.1518 2.6905 2.6905 2.8625 2.8625
3.1504 3.1504 3.2462 3.2462 8.2508 8.2508 8.2649 8.2649
9.3631 9.3631 9.3903 9.3903
k = 0.3571 0.5000 0.3085 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4662 -22.4662 -22.4662 -22.4662
-7.3719 -7.3719 -7.3532 -7.3532 -6.8919 -6.8919 -6.8208 -6.8208
-6.4334 -6.4334 -6.3330 -6.3330 -6.2215 -6.2215 -6.1755 -6.1755
2.1030 2.1030 2.1666 2.1666 2.6763 2.6763 2.8444 2.8444
3.1395 3.1395 3.2312 3.2312 8.2663 8.2663 8.2794 8.2794
9.3524 9.3524 9.3781 9.3781
k = 0.3714 0.5000 0.3085 ( 18964 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4660 -22.4660 -22.4660 -22.4660
-7.3641 -7.3641 -7.3461 -7.3461 -6.8886 -6.8886 -6.8202 -6.8202
-6.4397 -6.4397 -6.3447 -6.3447 -6.2255 -6.2255 -6.1828 -6.1828
2.1164 2.1164 2.1800 2.1800 2.6646 2.6646 2.8265 2.8265
3.1299 3.1299 3.2165 3.2165 8.2809 8.2809 8.2927 8.2927
9.3409 9.3409 9.3648 9.3648
k = 0.3857 0.5000 0.3085 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4658 -22.4658 -22.4658 -22.4658
-7.3568 -7.3568 -7.3398 -7.3398 -6.8847 -6.8847 -6.8200 -6.8200
-6.4452 -6.4452 -6.3569 -6.3569 -6.2285 -6.2285 -6.1897 -6.1897
2.1293 2.1293 2.1916 2.1916 2.6554 2.6554 2.8089 2.8089
3.1216 3.1216 3.2022 3.2022 8.2944 8.2944 8.3050 8.3050
9.3293 9.3293 9.3511 9.3511
k = 0.4000 0.5000 0.3085 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4657 -22.4657 -22.4657 -22.4657
-7.3500 -7.3500 -7.3344 -7.3344 -6.8802 -6.8802 -6.8202 -6.8202
-6.4498 -6.4498 -6.3694 -6.3694 -6.2305 -6.2305 -6.1960 -6.1960
2.1417 2.1417 2.2012 2.2012 2.6491 2.6491 2.7915 2.7915
3.1149 3.1149 3.1883 3.1883 8.3067 8.3067 8.3159 8.3159
9.3181 9.3181 9.3375 9.3375
k = 0.4143 0.5000 0.3085 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4656 -22.4656 -22.4656 -22.4656
-7.3438 -7.3438 -7.3298 -7.3298 -6.8751 -6.8751 -6.8210 -6.8210
-6.4532 -6.4532 -6.3818 -6.3818 -6.2317 -6.2317 -6.2019 -6.2019
2.1536 2.1536 2.2087 2.2087 2.6457 2.6457 2.7744 2.7744
3.1099 3.1099 3.1751 3.1751 8.3177 8.3177 8.3256 8.3256
9.3077 9.3077 9.3247 9.3247
k = 0.4286 0.5000 0.3085 ( 18980 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4654 -22.4654 -22.4654 -22.4654
-7.3382 -7.3382 -7.3261 -7.3261 -6.8696 -6.8696 -6.8224 -6.8224
-6.4552 -6.4552 -6.3940 -6.3940 -6.2322 -6.2322 -6.2072 -6.2072
2.1648 2.1648 2.2140 2.2140 2.6453 2.6453 2.7575 2.7575
3.1066 3.1066 3.1626 3.1626 8.3272 8.3272 8.3338 8.3338
9.2986 9.2986 9.3129 9.3129
k = 0.4429 0.5000 0.3085 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4654 -22.4654 -22.4654 -22.4654
-7.3333 -7.3333 -7.3234 -7.3234 -6.8637 -6.8637 -6.8245 -6.8245
-6.4558 -6.4558 -6.4056 -6.4056 -6.2321 -6.2321 -6.2120 -6.2120
2.1753 2.1753 2.2169 2.2169 2.6478 2.6478 2.7411 2.7411
3.1050 3.1050 3.1510 3.1510 8.3353 8.3353 8.3406 8.3406
9.2909 9.2909 9.3025 9.3025
k = 0.4571 0.5000 0.3085 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4653 -22.4653 -22.4653 -22.4653
-7.3292 -7.3292 -7.3215 -7.3215 -6.8577 -6.8577 -6.8274 -6.8274
-6.4548 -6.4548 -6.4164 -6.4164 -6.2314 -6.2314 -6.2163 -6.2163
2.1849 2.1849 2.2175 2.2175 2.6530 2.6530 2.7251 2.7251
3.1052 3.1052 3.1405 3.1405 8.3419 8.3419 8.3458 8.3458
9.2850 9.2850 9.2938 9.2938
k = 0.4714 0.5000 0.3085 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3258 -7.3258 -7.3206 -7.3206 -6.8517 -6.8517 -6.8311 -6.8311
-6.4522 -6.4522 -6.4262 -6.4262 -6.2302 -6.2302 -6.2201 -6.2201
2.1937 2.1937 2.2161 2.2161 2.6607 2.6607 2.7098 2.7098
3.1072 3.1072 3.1310 3.1310 8.3468 8.3468 8.3494 8.3494
9.2811 9.2811 9.2870 9.2870
k = 0.4857 0.5000 0.3085 ( 18980 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3232 -7.3232 -7.3206 -7.3206 -6.8459 -6.8459 -6.8354 -6.8354
-6.4480 -6.4480 -6.4349 -6.4349 -6.2284 -6.2284 -6.2233 -6.2233
2.2014 2.2014 2.2128 2.2128 2.6706 2.6706 2.6954 2.6954
3.1108 3.1108 3.1229 3.1229 8.3500 8.3500 8.3513 8.3513
9.2793 9.2793 9.2823 9.2823
k = 0.5000 0.5000 0.3085 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3215 -7.3215 -7.3215 -7.3215 -6.8404 -6.8404 -6.8404 -6.8404
-6.4422 -6.4422 -6.4422 -6.4422 -6.2261 -6.2261 -6.2261 -6.2261
2.2078 2.2078 2.2078 2.2078 2.6823 2.6823 2.6823 2.6823
3.1161 3.1161 3.1161 3.1161 8.3515 8.3515 8.3515 8.3515
9.2797 9.2797 9.2797 9.2797
k = 0.5000 0.5000 0.3085 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3215 -7.3215 -7.3215 -7.3215 -6.8404 -6.8404 -6.8404 -6.8404
-6.4422 -6.4422 -6.4422 -6.4422 -6.2261 -6.2261 -6.2261 -6.2261
2.2078 2.2078 2.2078 2.2078 2.6823 2.6823 2.6823 2.6823
3.1161 3.1161 3.1161 3.1161 8.3515 8.3515 8.3515 8.3515
9.2797 9.2797 9.2797 9.2797
k = 0.4898 0.4898 0.3085 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3232 -7.3232 -7.3206 -7.3206 -6.8460 -6.8460 -6.8353 -6.8353
-6.4480 -6.4480 -6.4348 -6.4348 -6.2284 -6.2284 -6.2233 -6.2233
2.2012 2.2012 2.2130 2.2130 2.6703 2.6703 2.6958 2.6958
3.1108 3.1108 3.1230 3.1230 8.3492 8.3492 8.3520 8.3520
9.2791 9.2791 9.2825 9.2825
k = 0.4796 0.4796 0.3085 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4653 -22.4653 -22.4651 -22.4651
-7.3258 -7.3258 -7.3207 -7.3207 -6.8521 -6.8521 -6.8307 -6.8307
-6.4523 -6.4523 -6.4260 -6.4260 -6.2303 -6.2303 -6.2199 -6.2199
2.1927 2.1927 2.2172 2.2172 2.6590 2.6590 2.7114 2.7114
3.1070 3.1070 3.1313 3.1313 8.3431 8.3431 8.3530 8.3530
9.2798 9.2798 9.2885 9.2885
k = 0.4694 0.4694 0.3085 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9534 -40.9534 -22.4655 -22.4655 -22.4651 -22.4651
-7.3291 -7.3291 -7.3217 -7.3217 -6.8588 -6.8588 -6.8264 -6.8264
-6.4549 -6.4549 -6.4161 -6.4161 -6.2317 -6.2317 -6.2159 -6.2159
2.1823 2.1823 2.2212 2.2212 2.6475 2.6475 2.7295 2.7295
3.1049 3.1049 3.1412 3.1412 8.3333 8.3333 8.3546 8.3546
9.2812 9.2812 9.2976 9.2976
k = 0.4592 0.4592 0.3085 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9534 -40.9534 -22.4658 -22.4658 -22.4649 -22.4649
-7.3330 -7.3330 -7.3237 -7.3237 -6.8659 -6.8659 -6.8224 -6.8224
-6.4560 -6.4560 -6.4053 -6.4053 -6.2327 -6.2327 -6.2112 -6.2112
2.1702 2.1702 2.2253 2.2253 2.6353 2.6353 2.7500 2.7500
3.1044 3.1044 3.1525 3.1525 8.3202 8.3202 8.3569 8.3569
9.2834 9.2834 9.3096 9.3096
k = 0.4490 0.4490 0.3085 ( 18970 PWs) bands (ev):
-40.9535 -40.9535 -40.9534 -40.9534 -22.4661 -22.4661 -22.4648 -22.4648
-7.3375 -7.3375 -7.3266 -7.3266 -6.8735 -6.8735 -6.8186 -6.8186
-6.4556 -6.4556 -6.3937 -6.3937 -6.2334 -6.2334 -6.2057 -6.2057
2.1571 2.1571 2.2297 2.2297 2.6220 2.6220 2.7726 2.7726
3.1056 3.1056 3.1652 3.1652 8.3044 8.3044 8.3598 8.3598
9.2862 9.2862 9.3238 9.3238
k = 0.4388 0.4388 0.3085 ( 18966 PWs) bands (ev):
-40.9536 -40.9536 -40.9534 -40.9534 -22.4665 -22.4665 -22.4646 -22.4646
-7.3423 -7.3423 -7.3305 -7.3305 -6.8814 -6.8814 -6.8149 -6.8149
-6.4541 -6.4541 -6.3816 -6.3816 -6.2337 -6.2337 -6.1994 -6.1994
2.1434 2.1434 2.2345 2.2345 2.6072 2.6072 2.7967 2.7967
3.1084 3.1084 3.1793 3.1793 8.2865 8.2865 8.3634 8.3634
9.2896 9.2896 9.3397 9.3397
k = 0.4286 0.4286 0.3085 ( 19002 PWs) bands (ev):
-40.9536 -40.9536 -40.9533 -40.9533 -22.4669 -22.4669 -22.4645 -22.4645
-7.3476 -7.3476 -7.3352 -7.3352 -6.8895 -6.8895 -6.8112 -6.8112
-6.4515 -6.4515 -6.3691 -6.3691 -6.2336 -6.2336 -6.1924 -6.1924
2.1298 2.1298 2.2400 2.2400 2.5908 2.5908 2.8219 2.8219
3.1128 3.1128 3.1949 3.1949 8.2671 8.2671 8.3676 8.3676
9.2937 9.2937 9.3564 9.3564
k = 0.4184 0.4184 0.3085 ( 18982 PWs) bands (ev):
-40.9537 -40.9537 -40.9533 -40.9533 -22.4675 -22.4675 -22.4642 -22.4642
-7.3532 -7.3532 -7.3406 -7.3406 -6.8976 -6.8976 -6.8075 -6.8075
-6.4484 -6.4484 -6.3563 -6.3563 -6.2331 -6.2331 -6.1846 -6.1846
2.1169 2.1169 2.2461 2.2461 2.5730 2.5730 2.8475 2.8475
3.1189 3.1189 3.2119 3.2119 8.2465 8.2465 8.3724 8.3724
9.2985 9.2985 9.3735 9.3735
k = 0.4082 0.4082 0.3085 ( 18980 PWs) bands (ev):
-40.9537 -40.9537 -40.9532 -40.9532 -22.4681 -22.4681 -22.4640 -22.4640
-7.3592 -7.3592 -7.3464 -7.3464 -6.9056 -6.9056 -6.8038 -6.8038
-6.4448 -6.4448 -6.3435 -6.3435 -6.2322 -6.2322 -6.1760 -6.1760
2.1051 2.1051 2.2527 2.2527 2.5539 2.5539 2.8731 2.8731
3.1265 3.1265 3.2302 3.2302 8.2253 8.2253 8.3778 8.3778
9.3039 9.3039 9.3904 9.3904
k = 0.3980 0.3980 0.3085 ( 18982 PWs) bands (ev):
-40.9538 -40.9538 -40.9532 -40.9532 -22.4687 -22.4687 -22.4637 -22.4637
-7.3658 -7.3658 -7.3522 -7.3522 -6.9135 -6.9135 -6.8000 -6.8000
-6.4413 -6.4413 -6.3307 -6.3307 -6.2308 -6.2308 -6.1669 -6.1669
2.0948 2.0948 2.2598 2.2598 2.5336 2.5336 2.8981 2.8981
3.1356 3.1356 3.2499 3.2499 8.2036 8.2036 8.3837 8.3837
9.3100 9.3100 9.4065 9.4065
k = 0.3878 0.3878 0.3085 ( 18986 PWs) bands (ev):
-40.9538 -40.9538 -40.9531 -40.9531 -22.4694 -22.4694 -22.4634 -22.4634
-7.3732 -7.3732 -7.3577 -7.3577 -6.9211 -6.9211 -6.7961 -6.7961
-6.4379 -6.4379 -6.3181 -6.3181 -6.2288 -6.2288 -6.1572 -6.1572
2.0863 2.0863 2.2674 2.2674 2.5125 2.5125 2.9223 2.9223
3.1463 3.1463 3.2709 3.2709 8.1818 8.1818 8.3900 8.3900
9.3167 9.3167 9.4213 9.4213
k = 0.3776 0.3776 0.3085 ( 18986 PWs) bands (ev):
-40.9539 -40.9539 -40.9531 -40.9531 -22.4702 -22.4702 -22.4631 -22.4631
-7.3813 -7.3813 -7.3626 -7.3626 -6.9284 -6.9284 -6.7922 -6.7922
-6.4349 -6.4349 -6.3058 -6.3058 -6.2262 -6.2262 -6.1471 -6.1471
2.0799 2.0799 2.2751 2.2751 2.4911 2.4911 2.9454 2.9454
3.1584 3.1584 3.2930 3.2930 8.1600 8.1600 8.3967 8.3967
9.3240 9.3240 9.4344 9.4344
k = 0.3673 0.3673 0.3085 ( 18986 PWs) bands (ev):
-40.9540 -40.9540 -40.9530 -40.9530 -22.4710 -22.4710 -22.4628 -22.4628
-7.3902 -7.3902 -7.3667 -7.3667 -6.9352 -6.9352 -6.7881 -6.7881
-6.4324 -6.4324 -6.2942 -6.2942 -6.2228 -6.2228 -6.1367 -6.1367
2.0758 2.0758 2.2828 2.2828 2.4698 2.4698 2.9670 2.9670
3.1718 3.1718 3.3163 3.3163 8.1381 8.1381 8.4037 8.4037
9.3319 9.3319 9.4453 9.4453
k = 0.3571 0.3571 0.3085 ( 18992 PWs) bands (ev):
-40.9541 -40.9541 -40.9529 -40.9529 -22.4719 -22.4719 -22.4624 -22.4624
-7.3997 -7.3997 -7.3699 -7.3699 -6.9417 -6.9417 -6.7838 -6.7838
-6.4305 -6.4305 -6.2835 -6.2835 -6.2183 -6.2183 -6.1261 -6.1261
2.0741 2.0741 2.2898 2.2898 2.4495 2.4495 2.9870 2.9870
3.1864 3.1864 3.3406 3.3406 8.1161 8.1161 8.4108 8.4108
9.3401 9.3401 9.4534 9.4534
k = 0.3469 0.3469 0.3085 ( 19004 PWs) bands (ev):
-40.9541 -40.9541 -40.9528 -40.9528 -22.4728 -22.4728 -22.4620 -22.4620
-7.4095 -7.4095 -7.3724 -7.3724 -6.9479 -6.9479 -6.7795 -6.7795
-6.4293 -6.4293 -6.2740 -6.2740 -6.2128 -6.2128 -6.1155 -6.1155
2.0748 2.0748 2.2953 2.2953 2.4314 2.4314 3.0054 3.0054
3.2022 3.2022 3.3657 3.3657 8.0940 8.0940 8.4177 8.4177
9.3485 9.3485 9.4582 9.4582
k = 0.3367 0.3367 0.3085 ( 19002 PWs) bands (ev):
-40.9542 -40.9542 -40.9528 -40.9528 -22.4737 -22.4737 -22.4616 -22.4616
-7.4195 -7.4195 -7.3740 -7.3740 -6.9536 -6.9536 -6.7751 -6.7751
-6.4286 -6.4286 -6.2662 -6.2662 -6.2060 -6.2060 -6.1049 -6.1049
2.0780 2.0780 2.2976 2.2976 2.4174 2.4174 3.0223 3.0223
3.2191 3.2191 3.3914 3.3914 8.0716 8.0716 8.4243 8.4243
9.3569 9.3569 9.4590 9.4590
k = 0.3265 0.3265 0.3085 ( 19000 PWs) bands (ev):
-40.9543 -40.9543 -40.9527 -40.9527 -22.4747 -22.4747 -22.4612 -22.4612
-7.4295 -7.4295 -7.3748 -7.3748 -6.9590 -6.9590 -6.7705 -6.7705
-6.4285 -6.4285 -6.2600 -6.2600 -6.1983 -6.1983 -6.0944 -6.0944
2.0836 2.0836 2.2952 2.2952 2.4093 2.4093 3.0376 3.0376
3.2369 3.2369 3.4176 3.4176 8.0488 8.0488 8.4301 8.4301
9.3649 9.3649 9.4553 9.4553
k = 0.3163 0.3163 0.3085 ( 19018 PWs) bands (ev):
-40.9544 -40.9544 -40.9526 -40.9526 -22.4758 -22.4758 -22.4608 -22.4608
-7.4394 -7.4394 -7.3747 -7.3747 -6.9640 -6.9640 -6.7659 -6.7659
-6.4289 -6.4289 -6.2553 -6.2553 -6.1899 -6.1899 -6.0840 -6.0840
2.0915 2.0915 2.2873 2.2873 2.4084 2.4084 3.0516 3.0516
3.2555 3.2555 3.4440 3.4440 8.0255 8.0255 8.4347 8.4347
9.3721 9.3721 9.4467 9.4467
k = 0.3061 0.3061 0.3085 ( 19030 PWs) bands (ev):
-40.9545 -40.9545 -40.9525 -40.9525 -22.4768 -22.4768 -22.4604 -22.4604
-7.4490 -7.4490 -7.3737 -7.3737 -6.9688 -6.9688 -6.7612 -6.7612
-6.4297 -6.4297 -6.2519 -6.2519 -6.1813 -6.1813 -6.0738 -6.0738
2.1014 2.1014 2.2751 2.2751 2.4135 2.4135 3.0644 3.0644
3.2750 3.2750 3.4704 3.4704 8.0014 8.0014 8.4376 8.4376
9.3778 9.3778 9.4335 9.4335
k = 0.2959 0.2959 0.3085 ( 19028 PWs) bands (ev):
-40.9546 -40.9546 -40.9524 -40.9524 -22.4779 -22.4779 -22.4599 -22.4599
-7.4583 -7.4583 -7.3718 -7.3718 -6.9733 -6.9733 -6.7564 -6.7564
-6.4308 -6.4308 -6.2498 -6.2498 -6.1729 -6.1729 -6.0639 -6.0639
2.1132 2.1132 2.2607 2.2607 2.4231 2.4231 3.0762 3.0762
3.2952 3.2952 3.4964 3.4964 7.9766 7.9766 8.4381 8.4381
9.3799 9.3799 9.4174 9.4174
k = 0.2857 0.2857 0.3085 ( 19038 PWs) bands (ev):
-40.9547 -40.9547 -40.9523 -40.9523 -22.4790 -22.4790 -22.4595 -22.4595
-7.4671 -7.4671 -7.3691 -7.3691 -6.9775 -6.9775 -6.7515 -6.7515
-6.4322 -6.4322 -6.2486 -6.2486 -6.1649 -6.1649 -6.0541 -6.0541
2.1263 2.1263 2.2460 2.2460 2.4356 2.4356 3.0875 3.0875
3.3162 3.3162 3.5217 3.5217 7.9509 7.9509 8.4354 8.4354
9.3716 9.3716 9.4056 9.4056
k = 0.2755 0.2755 0.3085 ( 19026 PWs) bands (ev):
-40.9548 -40.9548 -40.9522 -40.9522 -22.4801 -22.4801 -22.4590 -22.4590
-7.4753 -7.4753 -7.3654 -7.3654 -6.9815 -6.9815 -6.7466 -6.7466
-6.4338 -6.4338 -6.2485 -6.2485 -6.1577 -6.1577 -6.0447 -6.0447
2.1401 2.1401 2.2326 2.2326 2.4501 2.4501 3.0985 3.0985
3.3378 3.3378 3.5461 3.5461 7.9245 7.9245 8.4286 8.4286
9.3490 9.3490 9.4026 9.4026
k = 0.2653 0.2653 0.3085 ( 19026 PWs) bands (ev):
-40.9549 -40.9549 -40.9521 -40.9521 -22.4812 -22.4812 -22.4585 -22.4585
-7.4829 -7.4829 -7.3610 -7.3610 -6.9853 -6.9853 -6.7416 -6.7416
-6.4355 -6.4355 -6.2493 -6.2493 -6.1512 -6.1512 -6.0357 -6.0357
2.1532 2.1532 2.2221 2.2221 2.4661 2.4661 3.1095 3.1095
3.3600 3.3600 3.5691 3.5691 7.8974 7.8974 8.4166 8.4166
9.3193 9.3193 9.4013 9.4013
k = 0.2551 0.2551 0.3085 ( 19006 PWs) bands (ev):
-40.9550 -40.9550 -40.9520 -40.9520 -22.4824 -22.4824 -22.4581 -22.4581
-7.4898 -7.4898 -7.3557 -7.3557 -6.9888 -6.9888 -6.7367 -6.7367
-6.4373 -6.4373 -6.2511 -6.2511 -6.1456 -6.1456 -6.0271 -6.0271
2.1633 2.1633 2.2171 2.2171 2.4832 2.4832 3.1211 3.1211
3.3829 3.3829 3.5905 3.5905 7.8698 7.8698 8.3984 8.3984
9.2868 9.2868 9.3978 9.3978
k = 0.2449 0.2449 0.3085 ( 19012 PWs) bands (ev):
-40.9551 -40.9551 -40.9519 -40.9519 -22.4835 -22.4835 -22.4576 -22.4576
-7.4959 -7.4959 -7.3498 -7.3498 -6.9922 -6.9922 -6.7318 -6.7318
-6.4391 -6.4391 -6.2539 -6.2539 -6.1408 -6.1408 -6.0191 -6.0191
2.1673 2.1673 2.2206 2.2206 2.5012 2.5012 3.1336 3.1336
3.4062 3.4062 3.6099 3.6099 7.8420 7.8420 8.3733 8.3733
9.2532 9.2532 9.3899 9.3899
k = 0.2347 0.2347 0.3085 ( 18992 PWs) bands (ev):
-40.9552 -40.9552 -40.9518 -40.9518 -22.4847 -22.4847 -22.4571 -22.4571
-7.5013 -7.5013 -7.3432 -7.3432 -6.9952 -6.9952 -6.7269 -6.7269
-6.4409 -6.4409 -6.2577 -6.2577 -6.1368 -6.1368 -6.0116 -6.0116
2.1664 2.1664 2.2312 2.2312 2.5199 2.5199 3.1476 3.1476
3.4300 3.4300 3.6270 3.6270 7.8144 7.8144 8.3405 8.3405
9.2196 9.2196 9.3755 9.3755
k = 0.2245 0.2245 0.3085 ( 19002 PWs) bands (ev):
-40.9553 -40.9553 -40.9517 -40.9517 -22.4858 -22.4858 -22.4567 -22.4567
-7.5057 -7.5057 -7.3360 -7.3360 -6.9979 -6.9979 -6.7220 -6.7220
-6.4426 -6.4426 -6.2625 -6.2625 -6.1336 -6.1336 -6.0048 -6.0048
2.1643 2.1643 2.2451 2.2451 2.5390 2.5390 3.1633 3.1633
3.4542 3.4542 3.6415 3.6415 7.7874 7.7874 8.3001 8.3001
9.1869 9.1869 9.3523 9.3523
k = 0.2143 0.2143 0.3085 ( 18982 PWs) bands (ev):
-40.9554 -40.9554 -40.9517 -40.9517 -22.4869 -22.4869 -22.4562 -22.4562
-7.5094 -7.5094 -7.3284 -7.3284 -7.0001 -7.0001 -6.7173 -6.7173
-6.4442 -6.4442 -6.2683 -6.2683 -6.1312 -6.1312 -5.9987 -5.9987
2.1633 2.1633 2.2598 2.2598 2.5585 2.5585 3.1813 3.1813
3.4785 3.4785 3.6533 3.6533 7.7613 7.7613 8.2522 8.2522
9.1556 9.1556 9.3182 9.3182
k = 0.2041 0.2041 0.3085 ( 18966 PWs) bands (ev):
-40.9555 -40.9555 -40.9516 -40.9516 -22.4880 -22.4880 -22.4558 -22.4558
-7.5121 -7.5121 -7.3206 -7.3206 -7.0019 -7.0019 -6.7127 -6.7127
-6.4458 -6.4458 -6.2750 -6.2750 -6.1295 -6.1295 -5.9933 -5.9933
2.1643 2.1643 2.2740 2.2740 2.5782 2.5782 3.2017 3.2017
3.5026 3.5026 3.6622 3.6622 7.7366 7.7366 8.1976 8.1976
9.1261 9.1261 9.2724 9.2724
k = 0.1939 0.1939 0.3085 ( 18962 PWs) bands (ev):
-40.9556 -40.9556 -40.9515 -40.9515 -22.4891 -22.4891 -22.4553 -22.4553
-7.5140 -7.5140 -7.3127 -7.3127 -7.0031 -7.0031 -6.7083 -6.7083
-6.4473 -6.4473 -6.2825 -6.2825 -6.1285 -6.1285 -5.9885 -5.9885
2.1678 2.1678 2.2873 2.2873 2.5979 2.5979 3.2247 3.2247
3.5260 3.5260 3.6687 3.6687 7.7139 7.7139 8.1376 8.1376
9.0986 9.0986 9.2156 9.2156
k = 0.1837 0.1837 0.3085 ( 18968 PWs) bands (ev):
-40.9557 -40.9557 -40.9514 -40.9514 -22.4902 -22.4902 -22.4549 -22.4549
-7.5149 -7.5149 -7.3048 -7.3048 -7.0034 -7.0034 -6.7041 -6.7041
-6.4486 -6.4486 -6.2908 -6.2908 -6.1283 -6.1283 -5.9845 -5.9845
2.1739 2.1739 2.2995 2.2995 2.6174 2.6174 3.2501 3.2501
3.5478 3.5478 3.6733 3.6733 7.6933 7.6933 8.0733 8.0733
9.0732 9.0732 9.1504 9.1504
k = 0.1735 0.1735 0.3085 ( 18964 PWs) bands (ev):
-40.9558 -40.9558 -40.9513 -40.9513 -22.4912 -22.4912 -22.4545 -22.4545
-7.5150 -7.5150 -7.2973 -7.2973 -7.0029 -7.0029 -6.7001 -6.7001
-6.4498 -6.4498 -6.2997 -6.2997 -6.1289 -6.1289 -5.9811 -5.9811
2.1825 2.1825 2.3105 2.3105 2.6367 2.6367 3.2778 3.2778
3.5663 3.5663 3.6778 3.6778 7.6753 7.6753 8.0061 8.0061
9.0477 9.0477 9.0816 9.0816
k = 0.1633 0.1633 0.3085 ( 18968 PWs) bands (ev):
-40.9559 -40.9559 -40.9512 -40.9512 -22.4922 -22.4922 -22.4541 -22.4541
-7.5143 -7.5143 -7.2903 -7.2903 -7.0013 -7.0013 -6.6965 -6.6965
-6.4509 -6.4509 -6.3092 -6.3092 -6.1303 -6.1303 -5.9782 -5.9782
2.1933 2.1933 2.3206 2.3206 2.6557 2.6557 3.3071 3.3071
3.5788 3.5788 3.6849 3.6849 7.6600 7.6600 7.9372 7.9372
8.9965 8.9965 9.0373 9.0373
k = 0.1531 0.1531 0.3085 ( 18960 PWs) bands (ev):
-40.9559 -40.9559 -40.9511 -40.9511 -22.4932 -22.4932 -22.4537 -22.4537
-7.5128 -7.5128 -7.2841 -7.2841 -6.9985 -6.9985 -6.6933 -6.6933
-6.4520 -6.4520 -6.3189 -6.3189 -6.1326 -6.1326 -5.9757 -5.9757
2.2059 2.2059 2.3305 2.3305 2.6742 2.6742 3.3368 3.3368
3.5834 3.5834 3.6973 3.6973 7.6475 7.6475 7.8678 7.8678
8.9216 8.9216 8.9933 8.9933
k = 0.1429 0.1429 0.3085 ( 18954 PWs) bands (ev):
-40.9560 -40.9560 -40.9511 -40.9511 -22.4941 -22.4941 -22.4533 -22.4533
-7.5105 -7.5105 -7.2788 -7.2788 -6.9942 -6.9942 -6.6905 -6.6905
-6.4529 -6.4529 -6.3288 -6.3288 -6.1356 -6.1356 -5.9737 -5.9737
2.2195 2.2195 2.3410 2.3410 2.6921 2.6921 3.3651 3.3651
3.5807 3.5807 3.7155 3.7155 7.6378 7.6378 7.7991 7.7991
8.8448 8.8448 8.9135 8.9135
k = 0.1327 0.1327 0.3085 ( 18966 PWs) bands (ev):
-40.9561 -40.9561 -40.9510 -40.9510 -22.4950 -22.4950 -22.4530 -22.4530
-7.5075 -7.5075 -7.2746 -7.2746 -6.9886 -6.9886 -6.6884 -6.6884
-6.4537 -6.4537 -6.3387 -6.3387 -6.1395 -6.1395 -5.9720 -5.9720
2.2329 2.2329 2.3535 2.3535 2.7095 2.7095 3.3888 3.3888
3.5751 3.5751 3.7379 3.7379 7.6306 7.6306 7.7320 7.7320
8.7689 8.7689 8.8378 8.8378
k = 0.1224 0.1224 0.3085 ( 18990 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4958 -22.4958 -22.4527 -22.4527
-7.5038 -7.5038 -7.2717 -7.2717 -6.9814 -6.9814 -6.6869 -6.6869
-6.4545 -6.4545 -6.3484 -6.3484 -6.1441 -6.1441 -5.9705 -5.9705
2.2447 2.2447 2.3695 2.3695 2.7262 2.7262 3.4026 3.4026
3.5728 3.5728 3.7627 3.7627 7.6245 7.6245 7.6685 7.6685
8.6949 8.6949 8.7667 8.7667
k = 0.1122 0.1122 0.3085 ( 18990 PWs) bands (ev):
-40.9562 -40.9562 -40.9509 -40.9509 -22.4966 -22.4966 -22.4524 -22.4524
-7.4996 -7.4996 -7.2700 -7.2700 -6.9728 -6.9728 -6.6862 -6.6862
-6.4552 -6.4552 -6.3577 -6.3577 -6.1495 -6.1495 -5.9692 -5.9692
2.2538 2.2538 2.3902 2.3902 2.7421 2.7421 3.4011 3.4011
3.5797 3.5797 3.7889 3.7889 7.5977 7.5977 7.6309 7.6309
8.6239 8.6239 8.7004 8.7004
k = 0.1020 0.1020 0.3085 ( 18980 PWs) bands (ev):
-40.9563 -40.9563 -40.9508 -40.9508 -22.4973 -22.4973 -22.4521 -22.4521
-7.4949 -7.4949 -7.2695 -7.2695 -6.9629 -6.9629 -6.6863 -6.6863
-6.4558 -6.4558 -6.3665 -6.3665 -6.1554 -6.1554 -5.9680 -5.9680
2.2599 2.2599 2.4161 2.4161 2.7572 2.7572 3.3838 3.3838
3.5966 3.5966 3.8156 3.8156 7.5417 7.5417 7.6278 7.6278
8.5565 8.5565 8.6391 8.6391
k = 0.0918 0.0918 0.3085 ( 18986 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4979 -22.4979 -22.4518 -22.4518
-7.4899 -7.4899 -7.2700 -7.2700 -6.9519 -6.9519 -6.6874 -6.6874
-6.4563 -6.4563 -6.3745 -6.3745 -6.1618 -6.1618 -5.9669 -5.9669
2.2634 2.2634 2.4469 2.4469 2.7714 2.7714 3.3545 3.3545
3.6196 3.6196 3.8424 3.8424 7.4871 7.4871 7.6289 7.6289
8.4932 8.4932 8.5829 8.5829
k = 0.0816 0.0816 0.3085 ( 18990 PWs) bands (ev):
-40.9564 -40.9564 -40.9507 -40.9507 -22.4985 -22.4985 -22.4516 -22.4516
-7.4846 -7.4846 -7.2716 -7.2716 -6.9400 -6.9400 -6.6895 -6.6895
-6.4568 -6.4568 -6.3816 -6.3816 -6.1685 -6.1685 -5.9660 -5.9660
2.2649 2.2649 2.4818 2.4818 2.7848 2.7848 3.3173 3.3173
3.6446 3.6446 3.8687 3.8687 7.4366 7.4366 7.6316 7.6316
8.4348 8.4348 8.5321 8.5321
k = 0.0714 0.0714 0.3085 ( 18978 PWs) bands (ev):
-40.9564 -40.9564 -40.9506 -40.9506 -22.4990 -22.4990 -22.4514 -22.4514
-7.4793 -7.4793 -7.2738 -7.2738 -6.9276 -6.9276 -6.6926 -6.6926
-6.4571 -6.4571 -6.3878 -6.3878 -6.1751 -6.1751 -5.9651 -5.9651
2.2649 2.2649 2.5200 2.5200 2.7973 2.7973 3.2747 3.2747
3.6691 3.6691 3.8940 3.8940 7.3909 7.3909 7.6351 7.6351
8.3817 8.3817 8.4869 8.4869
k = 0.0612 0.0612 0.3085 ( 18978 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4995 -22.4995 -22.4512 -22.4512
-7.4740 -7.4740 -7.2766 -7.2766 -6.9150 -6.9150 -6.6965 -6.6965
-6.4573 -6.4573 -6.3931 -6.3931 -6.1816 -6.1816 -5.9643 -5.9643
2.2642 2.2642 2.5608 2.5608 2.8091 2.8091 3.2284 3.2284
3.6917 3.6917 3.9176 3.9176 7.3504 7.3504 7.6390 7.6390
8.3345 8.3345 8.4473 8.4473
k = 0.0510 0.0510 0.3085 ( 18998 PWs) bands (ev):
-40.9565 -40.9565 -40.9506 -40.9506 -22.4999 -22.4999 -22.4510 -22.4510
-7.4690 -7.4690 -7.2795 -7.2795 -6.9026 -6.9026 -6.7012 -6.7012
-6.4575 -6.4575 -6.3974 -6.3974 -6.1877 -6.1877 -5.9636 -5.9636
2.2630 2.2630 2.6030 2.6030 2.8205 2.8205 3.1795 3.1795
3.7115 3.7115 3.9391 3.9391 7.3156 7.3156 7.6430 7.6430
8.2936 8.2936 8.4136 8.4136
k = 0.0408 0.0408 0.3085 ( 19006 PWs) bands (ev):
-40.9566 -40.9566 -40.9506 -40.9506 -22.5002 -22.5002 -22.4509 -22.4509
-7.4645 -7.4645 -7.2825 -7.2825 -6.8911 -6.8911 -6.7063 -6.7063
-6.4575 -6.4575 -6.4008 -6.4008 -6.1931 -6.1931 -5.9630 -5.9630
2.2617 2.2617 2.6452 2.6452 2.8323 2.8323 3.1291 3.1291
3.7282 3.7282 3.9577 3.9577 7.2866 7.2866 7.6467 7.6467
8.2595 8.2595 8.3859 8.3859
k = 0.0306 0.0306 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5005 -22.5005 -22.4508 -22.4508
-7.4607 -7.4607 -7.2851 -7.2851 -6.8809 -6.8809 -6.7113 -6.7113
-6.4575 -6.4575 -6.4034 -6.4034 -6.1976 -6.1976 -5.9625 -5.9625
2.2605 2.2605 2.6851 2.6851 2.8461 2.8461 3.0782 3.0782
3.7414 3.7414 3.9729 3.9729 7.2638 7.2638 7.6498 7.6498
8.2325 8.2325 8.3642 8.3642
k = 0.0204 0.0204 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5007 -22.5007 -22.4507 -22.4507
-7.4577 -7.4577 -7.2872 -7.2872 -6.8728 -6.8728 -6.7156 -6.7156
-6.4574 -6.4574 -6.4051 -6.4051 -6.2010 -6.2010 -5.9622 -5.9622
2.2595 2.2595 2.7186 2.7186 2.8646 2.8646 3.0280 3.0280
3.7509 3.7509 3.9842 3.9842 7.2473 7.2473 7.6522 7.6522
8.2130 8.2130 8.3486 8.3486
k = 0.0102 0.0102 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4559 -7.4559 -7.2886 -7.2886 -6.8676 -6.8676 -6.7186 -6.7186
-6.4573 -6.4573 -6.4061 -6.4061 -6.2031 -6.2031 -5.9620 -5.9620
2.2589 2.2589 2.7407 2.7407 2.8905 2.8905 2.9810 2.9810
3.7566 3.7566 3.9911 3.9911 7.2374 7.2374 7.6537 7.6537
8.2012 8.2012 8.3393 8.3393
k = 0.0000 0.0000 0.3085 ( 19014 PWs) bands (ev):
-40.9566 -40.9566 -40.9505 -40.9505 -22.5008 -22.5008 -22.4507 -22.4507
-7.4553 -7.4553 -7.2891 -7.2891 -6.8657 -6.8657 -6.7197 -6.7197
-6.4573 -6.4573 -6.4065 -6.4065 -6.2038 -6.2038 -5.9619 -5.9619
2.2587 2.2587 2.7483 2.7483 2.9134 2.9134 2.9508 2.9508
3.7585 3.7585 3.9934 3.9934 7.2341 7.2341 7.6542 7.6542
8.1973 8.1973 8.3361 8.3361
k = 0.0000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4788 -7.4788 -7.4788 -7.4788 -6.8697 -6.8697 -6.8697 -6.8697
-6.3288 -6.3288 -6.3288 -6.3288 -6.0208 -6.0208 -6.0208 -6.0208
2.0541 2.0541 2.0541 2.0541 3.1809 3.1809 3.1809 3.1809
3.3891 3.3891 3.3891 3.3891 8.0015 8.0015 8.0015 8.0015
8.9783 8.9783 8.9783 8.9783
k = 0.0000 0.5000 0.0147 ( 18988 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4791 -7.4791 -7.4791 -7.4791 -6.8696 -6.8696 -6.8696 -6.8696
-6.3285 -6.3285 -6.3285 -6.3285 -6.0208 -6.0208 -6.0208 -6.0208
2.0527 2.0527 2.0527 2.0527 3.1810 3.1810 3.1810 3.1810
3.3894 3.3894 3.3894 3.3894 7.9997 7.9997 7.9997 7.9997
8.9764 8.9764 8.9764 8.9764
k = 0.0000 0.5000 0.0294 ( 18990 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4800 -7.4800 -7.4800 -7.4800 -6.8691 -6.8691 -6.8691 -6.8691
-6.3276 -6.3276 -6.3276 -6.3276 -6.0208 -6.0208 -6.0208 -6.0208
2.0488 2.0488 2.0488 2.0488 3.1811 3.1811 3.1811 3.1811
3.3905 3.3905 3.3905 3.3905 7.9945 7.9945 7.9945 7.9945
8.9715 8.9715 8.9715 8.9715
k = 0.0000 0.5000 0.0441 ( 18970 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4816 -7.4816 -7.4816 -7.4816 -6.8684 -6.8684 -6.8684 -6.8684
-6.3261 -6.3261 -6.3261 -6.3261 -6.0207 -6.0207 -6.0207 -6.0207
2.0424 2.0424 2.0424 2.0424 3.1812 3.1812 3.1812 3.1812
3.3923 3.3923 3.3923 3.3923 7.9864 7.9864 7.9864 7.9864
8.9647 8.9647 8.9647 8.9647
k = 0.0000 0.5000 0.0588 ( 18974 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4837 -7.4837 -7.4837 -7.4837 -6.8674 -6.8674 -6.8674 -6.8674
-6.3241 -6.3241 -6.3241 -6.3241 -6.0206 -6.0206 -6.0206 -6.0206
2.0337 2.0337 2.0337 2.0337 3.1814 3.1814 3.1814 3.1814
3.3947 3.3947 3.3947 3.3947 7.9763 7.9763 7.9763 7.9763
8.9567 8.9567 8.9567 8.9567
k = 0.0000 0.5000 0.0734 ( 18986 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4863 -7.4863 -7.4863 -7.4863 -6.8662 -6.8662 -6.8662 -6.8662
-6.3215 -6.3215 -6.3215 -6.3215 -6.0204 -6.0204 -6.0204 -6.0204
2.0230 2.0230 2.0230 2.0230 3.1816 3.1816 3.1816 3.1816
3.3976 3.3976 3.3976 3.3976 7.9652 7.9652 7.9652 7.9652
8.9479 8.9479 8.9479 8.9479
k = 0.0000 0.5000 0.0881 ( 18982 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4894 -7.4894 -7.4894 -7.4894 -6.8648 -6.8648 -6.8648 -6.8648
-6.3185 -6.3185 -6.3185 -6.3185 -6.0203 -6.0203 -6.0203 -6.0203
2.0105 2.0105 2.0105 2.0105 3.1817 3.1817 3.1817 3.1817
3.4010 3.4010 3.4010 3.4010 7.9537 7.9537 7.9537 7.9537
8.9383 8.9383 8.9383 8.9383
k = 0.0000 0.5000 0.1028 ( 18970 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4928 -7.4928 -7.4928 -7.4928 -6.8632 -6.8632 -6.8632 -6.8632
-6.3151 -6.3151 -6.3151 -6.3151 -6.0201 -6.0201 -6.0201 -6.0201
1.9966 1.9966 1.9966 1.9966 3.1817 3.1817 3.1817 3.1817
3.4048 3.4048 3.4048 3.4048 7.9428 7.9428 7.9428 7.9428
8.9280 8.9280 8.9280 8.9280
k = 0.0000 0.5000 0.1175 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.4965 -7.4965 -7.4965 -7.4965 -6.8616 -6.8616 -6.8616 -6.8616
-6.3115 -6.3115 -6.3115 -6.3115 -6.0199 -6.0199 -6.0199 -6.0199
1.9816 1.9816 1.9816 1.9816 3.1816 3.1816 3.1816 3.1816
3.4089 3.4089 3.4089 3.4089 7.9329 7.9329 7.9329 7.9329
8.9170 8.9170 8.9170 8.9170
k = 0.0000 0.5000 0.1322 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5004 -7.5004 -7.5004 -7.5004 -6.8599 -6.8599 -6.8599 -6.8599
-6.3076 -6.3076 -6.3076 -6.3076 -6.0196 -6.0196 -6.0196 -6.0196
1.9660 1.9660 1.9660 1.9660 3.1814 3.1814 3.1814 3.1814
3.4131 3.4131 3.4131 3.4131 7.9244 7.9244 7.9244 7.9244
8.9055 8.9055 8.9055 8.9055
k = 0.0000 0.5000 0.1469 ( 19010 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5043 -7.5043 -7.5043 -7.5043 -6.8582 -6.8582 -6.8582 -6.8582
-6.3035 -6.3035 -6.3035 -6.3035 -6.0194 -6.0194 -6.0194 -6.0194
1.9499 1.9499 1.9499 1.9499 3.1811 3.1811 3.1811 3.1811
3.4173 3.4173 3.4173 3.4173 7.9176 7.9176 7.9176 7.9176
8.8934 8.8934 8.8934 8.8934
k = 0.0000 0.5000 0.1616 ( 18994 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5083 -7.5083 -7.5083 -7.5083 -6.8565 -6.8565 -6.8565 -6.8565
-6.2995 -6.2995 -6.2995 -6.2995 -6.0191 -6.0191 -6.0191 -6.0191
1.9340 1.9340 1.9340 1.9340 3.1807 3.1807 3.1807 3.1807
3.4215 3.4215 3.4215 3.4215 7.9125 7.9125 7.9125 7.9125
8.8810 8.8810 8.8810 8.8810
k = 0.0000 0.5000 0.1763 ( 19000 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5121 -7.5121 -7.5121 -7.5121 -6.8549 -6.8549 -6.8549 -6.8549
-6.2954 -6.2954 -6.2954 -6.2954 -6.0189 -6.0189 -6.0189 -6.0189
1.9183 1.9183 1.9183 1.9183 3.1803 3.1803 3.1803 3.1803
3.4256 3.4256 3.4256 3.4256 7.9090 7.9090 7.9090 7.9090
8.8686 8.8686 8.8686 8.8686
k = 0.0000 0.5000 0.1910 ( 19002 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5158 -7.5158 -7.5158 -7.5158 -6.8533 -6.8533 -6.8533 -6.8533
-6.2916 -6.2916 -6.2916 -6.2916 -6.0186 -6.0186 -6.0186 -6.0186
1.9034 1.9034 1.9034 1.9034 3.1797 3.1797 3.1797 3.1797
3.4294 3.4294 3.4294 3.4294 7.9071 7.9071 7.9071 7.9071
8.8562 8.8562 8.8562 8.8562
k = 0.0000 0.5000 0.2056 ( 19018 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5193 -7.5193 -7.5193 -7.5193 -6.8519 -6.8519 -6.8519 -6.8519
-6.2879 -6.2879 -6.2879 -6.2879 -6.0184 -6.0184 -6.0184 -6.0184
1.8896 1.8896 1.8896 1.8896 3.1792 3.1792 3.1792 3.1792
3.4328 3.4328 3.4328 3.4328 7.9064 7.9064 7.9064 7.9064
8.8444 8.8444 8.8444 8.8444
k = 0.0000 0.5000 0.2203 ( 19012 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5224 -7.5224 -7.5224 -7.5224 -6.8506 -6.8506 -6.8506 -6.8506
-6.2846 -6.2846 -6.2846 -6.2846 -6.0182 -6.0182 -6.0182 -6.0182
1.8769 1.8769 1.8769 1.8769 3.1786 3.1786 3.1786 3.1786
3.4360 3.4360 3.4360 3.4360 7.9068 7.9068 7.9068 7.9068
8.8332 8.8332 8.8332 8.8332
k = 0.0000 0.5000 0.2350 ( 19018 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5252 -7.5252 -7.5252 -7.5252 -6.8495 -6.8495 -6.8495 -6.8495
-6.2816 -6.2816 -6.2816 -6.2816 -6.0180 -6.0180 -6.0180 -6.0180
1.8658 1.8658 1.8658 1.8658 3.1781 3.1781 3.1781 3.1781
3.4387 3.4387 3.4387 3.4387 7.9078 7.9078 7.9078 7.9078
8.8230 8.8230 8.8230 8.8230
k = 0.0000 0.5000 0.2497 ( 18994 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5275 -7.5275 -7.5275 -7.5275 -6.8486 -6.8486 -6.8486 -6.8486
-6.2791 -6.2791 -6.2791 -6.2791 -6.0178 -6.0178 -6.0178 -6.0178
1.8565 1.8565 1.8565 1.8565 3.1776 3.1776 3.1776 3.1776
3.4409 3.4409 3.4409 3.4409 7.9092 7.9092 7.9092 7.9092
8.8142 8.8142 8.8142 8.8142
k = 0.0000 0.5000 0.2644 ( 18998 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5294 -7.5294 -7.5294 -7.5294 -6.8479 -6.8479 -6.8479 -6.8479
-6.2771 -6.2771 -6.2771 -6.2771 -6.0176 -6.0176 -6.0176 -6.0176
1.8490 1.8490 1.8490 1.8490 3.1772 3.1772 3.1772 3.1772
3.4427 3.4427 3.4427 3.4427 7.9107 7.9107 7.9107 7.9107
8.8070 8.8070 8.8070 8.8070
k = 0.0000 0.5000 0.2791 ( 19018 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5307 -7.5307 -7.5307 -7.5307 -6.8474 -6.8474 -6.8474 -6.8474
-6.2756 -6.2756 -6.2756 -6.2756 -6.0175 -6.0175 -6.0175 -6.0175
1.8436 1.8436 1.8436 1.8436 3.1769 3.1769 3.1769 3.1769
3.4440 3.4440 3.4440 3.4440 7.9120 7.9120 7.9120 7.9120
8.8017 8.8017 8.8017 8.8017
k = 0.0000 0.5000 0.2938 ( 19008 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5315 -7.5315 -7.5315 -7.5315 -6.8470 -6.8470 -6.8470 -6.8470
-6.2747 -6.2747 -6.2747 -6.2747 -6.0174 -6.0174 -6.0174 -6.0174
1.8403 1.8403 1.8403 1.8403 3.1768 3.1768 3.1768 3.1768
3.4447 3.4447 3.4447 3.4447 7.9128 7.9128 7.9128 7.9128
8.7984 8.7984 8.7984 8.7984
k = 0.0000 0.5000 0.3085 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4703 -22.4703 -22.4703 -22.4703
-7.5318 -7.5318 -7.5318 -7.5318 -6.8469 -6.8469 -6.8469 -6.8469
-6.2744 -6.2744 -6.2744 -6.2744 -6.0174 -6.0174 -6.0174 -6.0174
1.8392 1.8392 1.8392 1.8392 3.1767 3.1767 3.1767 3.1767
3.4450 3.4450 3.4450 3.4450 7.9131 7.9131 7.9131 7.9131
8.7973 8.7973 8.7973 8.7973
k = 0.5000 0.5000-0.0000 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2907 -7.2907 -7.2907 -7.2907 -6.7638 -6.7638 -6.7638 -6.7638
-6.4892 -6.4892 -6.4892 -6.4892 -6.3166 -6.3166 -6.3166 -6.3166
2.2736 2.2736 2.2736 2.2736 2.9095 2.9095 2.9095 2.9095
3.1090 3.1090 3.1090 3.1090 7.8844 7.8844 7.8844 7.8844
8.0729 8.0729 8.0729 8.0729
k = 0.5000 0.5000 0.0147 ( 19000 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2909 -7.2909 -7.2909 -7.2909 -6.7644 -6.7644 -6.7644 -6.7644
-6.4886 -6.4886 -6.4886 -6.4886 -6.3161 -6.3161 -6.3161 -6.3161
2.2732 2.2732 2.2732 2.2732 2.9087 2.9087 2.9087 2.9087
3.1084 3.1084 3.1084 3.1084 7.8899 7.8899 7.8899 7.8899
8.0742 8.0742 8.0742 8.0742
k = 0.5000 0.5000 0.0294 ( 18992 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2914 -7.2914 -7.2914 -7.2914 -6.7663 -6.7663 -6.7663 -6.7663
-6.4871 -6.4871 -6.4871 -6.4871 -6.3148 -6.3148 -6.3148 -6.3148
2.2720 2.2720 2.2720 2.2720 2.9062 2.9062 2.9062 2.9062
3.1069 3.1069 3.1069 3.1069 7.9063 7.9063 7.9063 7.9063
8.0781 8.0781 8.0781 8.0781
k = 0.5000 0.5000 0.0441 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2922 -7.2922 -7.2922 -7.2922 -6.7693 -6.7693 -6.7693 -6.7693
-6.4846 -6.4846 -6.4846 -6.4846 -6.3127 -6.3127 -6.3127 -6.3127
2.2701 2.2701 2.2701 2.2701 2.9019 2.9019 2.9019 2.9019
3.1045 3.1045 3.1045 3.1045 7.9333 7.9333 7.9333 7.9333
8.0845 8.0845 8.0845 8.0845
k = 0.5000 0.5000 0.0588 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2934 -7.2934 -7.2934 -7.2934 -6.7733 -6.7733 -6.7733 -6.7733
-6.4814 -6.4814 -6.4814 -6.4814 -6.3097 -6.3097 -6.3097 -6.3097
2.2676 2.2676 2.2676 2.2676 2.8956 2.8956 2.8956 2.8956
3.1018 3.1018 3.1018 3.1018 7.9707 7.9707 7.9707 7.9707
8.0935 8.0935 8.0935 8.0935
k = 0.5000 0.5000 0.0734 ( 19040 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2948 -7.2948 -7.2948 -7.2948 -6.7780 -6.7780 -6.7780 -6.7780
-6.4777 -6.4777 -6.4777 -6.4777 -6.3058 -6.3058 -6.3058 -6.3058
2.2644 2.2644 2.2644 2.2644 2.8871 2.8871 2.8871 2.8871
3.0991 3.0991 3.0991 3.0991 8.0177 8.0177 8.0177 8.0177
8.1051 8.1051 8.1051 8.1051
k = 0.5000 0.5000 0.0881 ( 19028 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2964 -7.2964 -7.2964 -7.2964 -6.7833 -6.7833 -6.7833 -6.7833
-6.4737 -6.4737 -6.4737 -6.4737 -6.3012 -6.3012 -6.3012 -6.3012
2.2606 2.2606 2.2606 2.2606 2.8764 2.8764 2.8764 2.8764
3.0969 3.0969 3.0969 3.0969 8.0730 8.0730 8.0730 8.0730
8.1199 8.1199 8.1199 8.1199
k = 0.5000 0.5000 0.1028 ( 19036 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.2983 -7.2983 -7.2983 -7.2983 -6.7890 -6.7890 -6.7890 -6.7890
-6.4696 -6.4696 -6.4696 -6.4696 -6.2959 -6.2959 -6.2959 -6.2959
2.2564 2.2564 2.2564 2.2564 2.8635 2.8635 2.8635 2.8635
3.0954 3.0954 3.0954 3.0954 8.1241 8.1241 8.1241 8.1241
8.1497 8.1497 8.1497 8.1497
k = 0.5000 0.5000 0.1175 ( 19004 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3004 -7.3004 -7.3004 -7.3004 -6.7948 -6.7948 -6.7948 -6.7948
-6.4656 -6.4656 -6.4656 -6.4656 -6.2900 -6.2900 -6.2900 -6.2900
2.2519 2.2519 2.2519 2.2519 2.8487 2.8487 2.8487 2.8487
3.0947 3.0947 3.0947 3.0947 8.1469 8.1469 8.1469 8.1469
8.2175 8.2175 8.2175 8.2175
k = 0.5000 0.5000 0.1322 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3025 -7.3025 -7.3025 -7.3025 -6.8007 -6.8007 -6.8007 -6.8007
-6.4618 -6.4618 -6.4618 -6.4618 -6.2836 -6.2836 -6.2836 -6.2836
2.2472 2.2472 2.2472 2.2472 2.8323 2.8323 2.8323 2.8323
3.0949 3.0949 3.0949 3.0949 8.1664 8.1664 8.1664 8.1664
8.2974 8.2974 8.2974 8.2974
k = 0.5000 0.5000 0.1469 ( 18960 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3048 -7.3048 -7.3048 -7.3048 -6.8064 -6.8064 -6.8064 -6.8064
-6.4584 -6.4584 -6.4584 -6.4584 -6.2768 -6.2768 -6.2768 -6.2768
2.2423 2.2423 2.2423 2.2423 2.8148 2.8148 2.8148 2.8148
3.0960 3.0960 3.0960 3.0960 8.1865 8.1865 8.1865 8.1865
8.3842 8.3842 8.3842 8.3842
k = 0.5000 0.5000 0.1616 ( 18936 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3071 -7.3071 -7.3071 -7.3071 -6.8119 -6.8119 -6.8119 -6.8119
-6.4553 -6.4553 -6.4553 -6.4553 -6.2699 -6.2699 -6.2699 -6.2699
2.2374 2.2374 2.2374 2.2374 2.7967 2.7967 2.7967 2.7967
3.0977 3.0977 3.0977 3.0977 8.2072 8.2072 8.2072 8.2072
8.4765 8.4765 8.4765 8.4765
k = 0.5000 0.5000 0.1763 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3094 -7.3094 -7.3094 -7.3094 -6.8170 -6.8170 -6.8170 -6.8170
-6.4525 -6.4525 -6.4525 -6.4525 -6.2630 -6.2630 -6.2630 -6.2630
2.2326 2.2326 2.2326 2.2326 2.7786 2.7786 2.7786 2.7786
3.0999 3.0999 3.0999 3.0999 8.2283 8.2283 8.2283 8.2283
8.5731 8.5731 8.5731 8.5731
k = 0.5000 0.5000 0.1910 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3116 -7.3116 -7.3116 -7.3116 -6.8217 -6.8217 -6.8217 -6.8217
-6.4502 -6.4502 -6.4502 -6.4502 -6.2563 -6.2563 -6.2563 -6.2563
2.2280 2.2280 2.2280 2.2280 2.7609 2.7609 2.7609 2.7609
3.1023 3.1023 3.1023 3.1023 8.2493 8.2493 8.2493 8.2493
8.6728 8.6728 8.6728 8.6728
k = 0.5000 0.5000 0.2056 ( 18980 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3137 -7.3137 -7.3137 -7.3137 -6.8260 -6.8260 -6.8260 -6.8260
-6.4482 -6.4482 -6.4482 -6.4482 -6.2499 -6.2499 -6.2499 -6.2499
2.2237 2.2237 2.2237 2.2237 2.7442 2.7442 2.7442 2.7442
3.1049 3.1049 3.1049 3.1049 8.2697 8.2697 8.2697 8.2697
8.7741 8.7741 8.7741 8.7741
k = 0.5000 0.5000 0.2203 ( 18964 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3156 -7.3156 -7.3156 -7.3156 -6.8298 -6.8298 -6.8298 -6.8298
-6.4465 -6.4465 -6.4465 -6.4465 -6.2441 -6.2441 -6.2441 -6.2441
2.2197 2.2197 2.2197 2.2197 2.7288 2.7288 2.7288 2.7288
3.1075 3.1075 3.1075 3.1075 8.2889 8.2889 8.2889 8.2889
8.8752 8.8752 8.8752 8.8752
k = 0.5000 0.5000 0.2350 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3173 -7.3173 -7.3173 -7.3173 -6.8330 -6.8330 -6.8330 -6.8330
-6.4451 -6.4451 -6.4451 -6.4451 -6.2388 -6.2388 -6.2388 -6.2388
2.2163 2.2163 2.2163 2.2163 2.7152 2.7152 2.7152 2.7152
3.1099 3.1099 3.1099 3.1099 8.3065 8.3065 8.3065 8.3065
8.9739 8.9739 8.9739 8.9739
k = 0.5000 0.5000 0.2497 ( 18972 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3188 -7.3188 -7.3188 -7.3188 -6.8356 -6.8356 -6.8356 -6.8356
-6.4440 -6.4440 -6.4440 -6.4440 -6.2344 -6.2344 -6.2344 -6.2344
2.2133 2.2133 2.2133 2.2133 2.7037 2.7037 2.7037 2.7037
3.1120 3.1120 3.1120 3.1120 8.3218 8.3218 8.3218 8.3218
9.0671 9.0671 9.0671 9.0671
k = 0.5000 0.5000 0.2644 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3199 -7.3199 -7.3199 -7.3199 -6.8377 -6.8377 -6.8377 -6.8377
-6.4432 -6.4432 -6.4432 -6.4432 -6.2308 -6.2308 -6.2308 -6.2308
2.2109 2.2109 2.2109 2.2109 2.6945 2.6945 2.6945 2.6945
3.1137 3.1137 3.1137 3.1137 8.3344 8.3344 8.3344 8.3344
9.1505 9.1505 9.1505 9.1505
k = 0.5000 0.5000 0.2791 ( 18984 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3208 -7.3208 -7.3208 -7.3208 -6.8392 -6.8392 -6.8392 -6.8392
-6.4426 -6.4426 -6.4426 -6.4426 -6.2282 -6.2282 -6.2282 -6.2282
2.2092 2.2092 2.2092 2.2092 2.6877 2.6877 2.6877 2.6877
3.1150 3.1150 3.1150 3.1150 8.3438 8.3438 8.3438 8.3438
9.2184 9.2184 9.2184 9.2184
k = 0.5000 0.5000 0.2938 ( 18976 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3213 -7.3213 -7.3213 -7.3213 -6.8401 -6.8401 -6.8401 -6.8401
-6.4423 -6.4423 -6.4423 -6.4423 -6.2267 -6.2267 -6.2267 -6.2267
2.2082 2.2082 2.2082 2.2082 2.6836 2.6836 2.6836 2.6836
3.1158 3.1158 3.1158 3.1158 8.3495 8.3495 8.3495 8.3495
9.2637 9.2637 9.2637 9.2637
k = 0.5000 0.5000 0.3085 ( 18968 PWs) bands (ev):
-40.9535 -40.9535 -40.9535 -40.9535 -22.4652 -22.4652 -22.4652 -22.4652
-7.3215 -7.3215 -7.3215 -7.3215 -6.8404 -6.8404 -6.8404 -6.8404
-6.4422 -6.4422 -6.4422 -6.4422 -6.2261 -6.2261 -6.2261 -6.2261
2.2078 2.2078 2.2078 2.2078 2.6823 2.6823 2.6823 2.6823
3.1161 3.1161 3.1161 3.1161 8.3515 8.3515 8.3515 8.3515
9.2797 9.2797 9.2797 9.2797
Writing output data file RbLiSe.save
init_run : 0.36s CPU 0.52s WALL ( 1 calls)
electrons : 264.54s CPU 267.14s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.04s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 264.54s CPU 267.13s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.01s WALL ( 1 calls)
newd : 0.07s CPU 0.13s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.14s CPU 0.26s WALL ( 310 calls)
cegterg : 230.12s CPU 231.59s WALL ( 372 calls)
Called by sum_band:
Called by *egterg:
h_psi : 173.16s CPU 174.52s WALL ( 6255 calls)
s_psi : 7.60s CPU 7.26s WALL ( 6255 calls)
g_psi : 0.74s CPU 0.74s WALL ( 5573 calls)
cdiaghg : 32.92s CPU 33.10s WALL ( 5883 calls)
cegterg:over : 14.39s CPU 14.32s WALL ( 5573 calls)
cegterg:upda : 14.64s CPU 15.16s WALL ( 5573 calls)
cegterg:last : 8.17s CPU 8.07s WALL ( 992 calls)
cdiaghg:chol : 1.89s CPU 1.99s WALL ( 5883 calls)
cdiaghg:inve : 1.08s CPU 1.09s WALL ( 5883 calls)
cdiaghg:para : 1.87s CPU 1.94s WALL ( 11766 calls)
Called by h_psi:
h_psi:vloc : 156.31s CPU 157.50s WALL ( 6255 calls)
h_psi:vnl : 16.02s CPU 16.19s WALL ( 6255 calls)
add_vuspsi : 7.26s CPU 7.55s WALL ( 6255 calls)
General routines
calbec : 8.74s CPU 8.62s WALL ( 6255 calls)
fft : 0.01s CPU 0.01s WALL ( 15 calls)
fftw : 147.61s CPU 148.92s WALL ( 586532 calls)
davcio : 0.32s CPU 0.67s WALL ( 620 calls)
Parallel routines
fft_scatter : 44.35s CPU 44.79s WALL ( 586547 calls)
PWSCF : 5m 1.24s CPU 5m19.24s WALL
This run was terminated on: 20:42: 4 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=