Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:28: 4
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:
./CaZn2xPOx2.save/
file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized
file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 59 34 10 3282 1444 220
Max 61 35 11 3285 1460 226
Sum 2149 1237 361 118223 52323 8025
bravais-lattice index = 14
lattice parameter (alat) = 9.7888 a.u.
unit-cell volume = 1202.7684 (a.u.)^3
number of atoms/cell = 7
number of atomic types = 4
number of electrons = 56.00
number of Kohn-Sham states= 68
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.788781 celldm(2)= 1.000000 celldm(3)= 1.480695
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.500000 0.866025 0.000000 )
a(3) = ( 0.000000 0.000000 1.480695 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.577350 -0.000000 )
b(2) = ( 0.000000 1.154701 -0.000000 )
b(3) = ( 0.000000 0.000000 0.675359 )
PseudoPot. # 1 for O read from file:
/users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
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 1095 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 Ca read from file:
/users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 60bd286d514994a6a955285ae841e6ef
Pseudo is Ultrasoft + core correction, Zval = 10.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1169 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
PseudoPot. # 3 for Zn read from file:
/users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 8d14e5a70806ad8c3d477ea097862760
Pseudo is Ultrasoft + core correction, Zval = 12.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1201 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
PseudoPot. # 4 for P read from file:
/users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 667ec27f6326587e4f0d1734a2230026
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1147 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
O 6.00 15.99940 O( 1.00)
Ca 10.00 40.07800 Ca( 1.00)
Zn 12.00 65.40900 Zn( 1.00)
P 5.00 30.97380 P( 1.00)
12 Sym. Ops., with inversion, found
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 [1,0,0]
cryst. s( 2) = ( 1 0 0 )
( -1 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 3 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 3) = ( 0 1 0 )
( -1 -1 0 )
( 0 0 1 )
cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 4 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 4) = ( -1 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 180 deg rotation - cryst. axis [0,1,0]
cryst. s( 5) = ( -1 -1 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 )
( -0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cryst. axis [1,1,0]
cryst. s( 6) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inversion
cryst. s( 7) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 8) = ( -1 0 0 )
( 1 1 0 )
( 0 0 1 )
cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 1 0 )
( 0 0 -1 )
cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 )
( -0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1]
cryst. s(10) = ( 1 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s(11) = ( 1 1 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s(12) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group D_3d (-3m)
there are 12 classes and 6 irreducible representations
the character table:
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00
G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00
G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00
G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00
G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00
G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00
imaginary part
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00
G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00
G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C3 3 4
120 deg rotation - cryst. axis [0,0,1]
-2C3 -3 -4
120 deg rotation - cryst. axis [0,0,1] E
3C2' 2 5 -6
180 deg rotation - cart. axis [1,0,0]
3C2' 6 -5 -2
180 deg rotation - cryst. axis [1,1,0]
i 7
inversion
-i -7
inversion E
2S6 9 10
inv. 120 deg rotation - cryst. axis [0,0,1]
-2S6 -9 -10
inv. 120 deg rotation - cryst. axis [0,0,1] E
3s_v 8 11 -12
inv. 180 deg rotation - cart. axis [1,0,0]
3s_v 12 -11 -8
inv. 180 deg rotation - cryst. axis [1,1,0]
Cartesian axes
number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0037313
k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0037313
k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0037313
k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0037313
k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0037313
k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0037313
k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0037313
k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0037313
k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0037313
k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0037313
k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0037313
k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0037313
k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0037313
k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0037313
k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0037313
k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0037313
k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0037313
k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037313
k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0037313
k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0037313
k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0037313
k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0037313
k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0037313
k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0037313
k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0037313
k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0037313
k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0037313
k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0037313
k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0037313
k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0037313
k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0037313
k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0037313
k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0037313
k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0037313
k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0037313
k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313
k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313
k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0037313
k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0037313
k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0037313
k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0037313
k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0037313
k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0037313
k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037313
k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0037313
k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0037313
k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0037313
k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0037313
k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0037313
k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0037313
k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037313
k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0037313
k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0037313
k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0037313
k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0037313
k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0037313
k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0037313
k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313
k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313
k( 61) = ( 0.3252032 0.5632686 -0.0000000), wk = 0.0037313
k( 62) = ( 0.3170732 0.5491868 -0.0000000), wk = 0.0037313
k( 63) = ( 0.3089431 0.5351051 -0.0000000), wk = 0.0037313
k( 64) = ( 0.3008130 0.5210234 -0.0000000), wk = 0.0037313
k( 65) = ( 0.2926829 0.5069417 -0.0000000), wk = 0.0037313
k( 66) = ( 0.2845529 0.4928600 -0.0000000), wk = 0.0037313
k( 67) = ( 0.2764228 0.4787783 -0.0000000), wk = 0.0037313
k( 68) = ( 0.2682927 0.4646966 -0.0000000), wk = 0.0037313
k( 69) = ( 0.2601626 0.4506148 -0.0000000), wk = 0.0037313
k( 70) = ( 0.2520325 0.4365331 -0.0000000), wk = 0.0037313
k( 71) = ( 0.2439024 0.4224514 -0.0000000), wk = 0.0037313
k( 72) = ( 0.2357724 0.4083697 -0.0000000), wk = 0.0037313
k( 73) = ( 0.2276423 0.3942880 -0.0000000), wk = 0.0037313
k( 74) = ( 0.2195122 0.3802063 -0.0000000), wk = 0.0037313
k( 75) = ( 0.2113821 0.3661246 -0.0000000), wk = 0.0037313
k( 76) = ( 0.2032520 0.3520428 -0.0000000), wk = 0.0037313
k( 77) = ( 0.1951219 0.3379611 -0.0000000), wk = 0.0037313
k( 78) = ( 0.1869919 0.3238794 -0.0000000), wk = 0.0037313
k( 79) = ( 0.1788618 0.3097977 -0.0000000), wk = 0.0037313
k( 80) = ( 0.1707317 0.2957160 -0.0000000), wk = 0.0037313
k( 81) = ( 0.1626016 0.2816343 -0.0000000), wk = 0.0037313
k( 82) = ( 0.1544715 0.2675526 -0.0000000), wk = 0.0037313
k( 83) = ( 0.1463415 0.2534708 -0.0000000), wk = 0.0037313
k( 84) = ( 0.1382114 0.2393891 -0.0000000), wk = 0.0037313
k( 85) = ( 0.1300813 0.2253074 -0.0000000), wk = 0.0037313
k( 86) = ( 0.1219512 0.2112257 -0.0000000), wk = 0.0037313
k( 87) = ( 0.1138211 0.1971440 -0.0000000), wk = 0.0037313
k( 88) = ( 0.1056911 0.1830623 -0.0000000), wk = 0.0037313
k( 89) = ( 0.0975610 0.1689806 -0.0000000), wk = 0.0037313
k( 90) = ( 0.0894309 0.1548988 -0.0000000), wk = 0.0037313
k( 91) = ( 0.0813008 0.1408171 -0.0000000), wk = 0.0037313
k( 92) = ( 0.0731707 0.1267354 -0.0000000), wk = 0.0037313
k( 93) = ( 0.0650407 0.1126537 -0.0000000), wk = 0.0037313
k( 94) = ( 0.0569106 0.0985720 -0.0000000), wk = 0.0037313
k( 95) = ( 0.0487805 0.0844903 -0.0000000), wk = 0.0037313
k( 96) = ( 0.0406504 0.0704086 -0.0000000), wk = 0.0037313
k( 97) = ( 0.0325203 0.0563269 -0.0000000), wk = 0.0037313
k( 98) = ( 0.0243902 0.0422451 -0.0000000), wk = 0.0037313
k( 99) = ( 0.0162602 0.0281634 -0.0000000), wk = 0.0037313
k( 100) = ( 0.0081301 0.0140817 -0.0000000), wk = 0.0037313
k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 103) = ( 0.0000000 0.0000000 0.0160800), wk = 0.0037313
k( 104) = ( 0.0000000 0.0000000 0.0321599), wk = 0.0037313
k( 105) = ( 0.0000000 0.0000000 0.0482399), wk = 0.0037313
k( 106) = ( 0.0000000 0.0000000 0.0643199), wk = 0.0037313
k( 107) = ( 0.0000000 0.0000000 0.0803998), wk = 0.0037313
k( 108) = ( 0.0000000 0.0000000 0.0964798), wk = 0.0037313
k( 109) = ( 0.0000000 0.0000000 0.1125598), wk = 0.0037313
k( 110) = ( 0.0000000 0.0000000 0.1286397), wk = 0.0037313
k( 111) = ( 0.0000000 0.0000000 0.1447197), wk = 0.0037313
k( 112) = ( 0.0000000 0.0000000 0.1607997), wk = 0.0037313
k( 113) = ( 0.0000000 0.0000000 0.1768796), wk = 0.0037313
k( 114) = ( 0.0000000 0.0000000 0.1929596), wk = 0.0037313
k( 115) = ( 0.0000000 0.0000000 0.2090395), wk = 0.0037313
k( 116) = ( 0.0000000 0.0000000 0.2251195), wk = 0.0037313
k( 117) = ( 0.0000000 0.0000000 0.2411995), wk = 0.0037313
k( 118) = ( 0.0000000 0.0000000 0.2572794), wk = 0.0037313
k( 119) = ( 0.0000000 0.0000000 0.2733594), wk = 0.0037313
k( 120) = ( 0.0000000 0.0000000 0.2894394), wk = 0.0037313
k( 121) = ( 0.0000000 0.0000000 0.3055193), wk = 0.0037313
k( 122) = ( 0.0000000 0.0000000 0.3215993), wk = 0.0037313
k( 123) = ( 0.0000000 0.0000000 0.3376793), wk = 0.0037313
k( 124) = ( 0.0000000 0.0000000 0.3376793), wk = 0.0037313
k( 125) = ( 0.0138889 0.0080188 0.3376793), wk = 0.0037313
k( 126) = ( 0.0277778 0.0160375 0.3376793), wk = 0.0037313
k( 127) = ( 0.0416667 0.0240563 0.3376793), wk = 0.0037313
k( 128) = ( 0.0555556 0.0320750 0.3376793), wk = 0.0037313
k( 129) = ( 0.0694444 0.0400938 0.3376793), wk = 0.0037313
k( 130) = ( 0.0833333 0.0481125 0.3376793), wk = 0.0037313
k( 131) = ( 0.0972222 0.0561313 0.3376793), wk = 0.0037313
k( 132) = ( 0.1111111 0.0641500 0.3376793), wk = 0.0037313
k( 133) = ( 0.1250000 0.0721688 0.3376793), wk = 0.0037313
k( 134) = ( 0.1388889 0.0801875 0.3376793), wk = 0.0037313
k( 135) = ( 0.1527778 0.0882063 0.3376793), wk = 0.0037313
k( 136) = ( 0.1666667 0.0962250 0.3376793), wk = 0.0037313
k( 137) = ( 0.1805556 0.1042438 0.3376793), wk = 0.0037313
k( 138) = ( 0.1944444 0.1122625 0.3376793), wk = 0.0037313
k( 139) = ( 0.2083333 0.1202813 0.3376793), wk = 0.0037313
k( 140) = ( 0.2222222 0.1283001 0.3376793), wk = 0.0037313
k( 141) = ( 0.2361111 0.1363188 0.3376793), wk = 0.0037313
k( 142) = ( 0.2500000 0.1443376 0.3376793), wk = 0.0037313
k( 143) = ( 0.2638889 0.1523563 0.3376793), wk = 0.0037313
k( 144) = ( 0.2777778 0.1603751 0.3376793), wk = 0.0037313
k( 145) = ( 0.2916667 0.1683938 0.3376793), wk = 0.0037313
k( 146) = ( 0.3055556 0.1764126 0.3376793), wk = 0.0037313
k( 147) = ( 0.3194444 0.1844313 0.3376793), wk = 0.0037313
k( 148) = ( 0.3333333 0.1924501 0.3376793), wk = 0.0037313
k( 149) = ( 0.3472222 0.2004688 0.3376793), wk = 0.0037313
k( 150) = ( 0.3611111 0.2084876 0.3376793), wk = 0.0037313
k( 151) = ( 0.3750000 0.2165064 0.3376793), wk = 0.0037313
k( 152) = ( 0.3888889 0.2245251 0.3376793), wk = 0.0037313
k( 153) = ( 0.4027778 0.2325439 0.3376793), wk = 0.0037313
k( 154) = ( 0.4166667 0.2405626 0.3376793), wk = 0.0037313
k( 155) = ( 0.4305556 0.2485814 0.3376793), wk = 0.0037313
k( 156) = ( 0.4444444 0.2566001 0.3376793), wk = 0.0037313
k( 157) = ( 0.4583333 0.2646189 0.3376793), wk = 0.0037313
k( 158) = ( 0.4722222 0.2726376 0.3376793), wk = 0.0037313
k( 159) = ( 0.4861111 0.2806564 0.3376793), wk = 0.0037313
k( 160) = ( 0.5000000 0.2886751 0.3376793), wk = 0.0037313
k( 161) = ( 0.5000000 0.2886751 0.3376793), wk = 0.0037313
k( 162) = ( 0.4920635 0.3024216 0.3376793), wk = 0.0037313
k( 163) = ( 0.4841270 0.3161680 0.3376793), wk = 0.0037313
k( 164) = ( 0.4761905 0.3299144 0.3376793), wk = 0.0037313
k( 165) = ( 0.4682540 0.3436609 0.3376793), wk = 0.0037313
k( 166) = ( 0.4603175 0.3574073 0.3376793), wk = 0.0037313
k( 167) = ( 0.4523810 0.3711537 0.3376793), wk = 0.0037313
k( 168) = ( 0.4444444 0.3849002 0.3376793), wk = 0.0037313
k( 169) = ( 0.4365079 0.3986466 0.3376793), wk = 0.0037313
k( 170) = ( 0.4285714 0.4123930 0.3376793), wk = 0.0037313
k( 171) = ( 0.4206349 0.4261395 0.3376793), wk = 0.0037313
k( 172) = ( 0.4126984 0.4398859 0.3376793), wk = 0.0037313
k( 173) = ( 0.4047619 0.4536324 0.3376793), wk = 0.0037313
k( 174) = ( 0.3968254 0.4673788 0.3376793), wk = 0.0037313
k( 175) = ( 0.3888889 0.4811252 0.3376793), wk = 0.0037313
k( 176) = ( 0.3809524 0.4948717 0.3376793), wk = 0.0037313
k( 177) = ( 0.3730159 0.5086181 0.3376793), wk = 0.0037313
k( 178) = ( 0.3650794 0.5223645 0.3376793), wk = 0.0037313
k( 179) = ( 0.3571429 0.5361110 0.3376793), wk = 0.0037313
k( 180) = ( 0.3492063 0.5498574 0.3376793), wk = 0.0037313
k( 181) = ( 0.3412698 0.5636038 0.3376793), wk = 0.0037313
k( 182) = ( 0.3333333 0.5773503 0.3376793), wk = 0.0037313
k( 183) = ( 0.3333333 0.5773503 0.3376793), wk = 0.0037313
k( 184) = ( 0.3252032 0.5632686 0.3376793), wk = 0.0037313
k( 185) = ( 0.3170732 0.5491868 0.3376793), wk = 0.0037313
k( 186) = ( 0.3089431 0.5351051 0.3376793), wk = 0.0037313
k( 187) = ( 0.3008130 0.5210234 0.3376793), wk = 0.0037313
k( 188) = ( 0.2926829 0.5069417 0.3376793), wk = 0.0037313
k( 189) = ( 0.2845529 0.4928600 0.3376793), wk = 0.0037313
k( 190) = ( 0.2764228 0.4787783 0.3376793), wk = 0.0037313
k( 191) = ( 0.2682927 0.4646966 0.3376793), wk = 0.0037313
k( 192) = ( 0.2601626 0.4506148 0.3376793), wk = 0.0037313
k( 193) = ( 0.2520325 0.4365331 0.3376793), wk = 0.0037313
k( 194) = ( 0.2439024 0.4224514 0.3376793), wk = 0.0037313
k( 195) = ( 0.2357724 0.4083697 0.3376793), wk = 0.0037313
k( 196) = ( 0.2276423 0.3942880 0.3376793), wk = 0.0037313
k( 197) = ( 0.2195122 0.3802063 0.3376793), wk = 0.0037313
k( 198) = ( 0.2113821 0.3661246 0.3376793), wk = 0.0037313
k( 199) = ( 0.2032520 0.3520428 0.3376793), wk = 0.0037313
k( 200) = ( 0.1951219 0.3379611 0.3376793), wk = 0.0037313
k( 201) = ( 0.1869919 0.3238794 0.3376793), wk = 0.0037313
k( 202) = ( 0.1788618 0.3097977 0.3376793), wk = 0.0037313
k( 203) = ( 0.1707317 0.2957160 0.3376793), wk = 0.0037313
k( 204) = ( 0.1626016 0.2816343 0.3376793), wk = 0.0037313
k( 205) = ( 0.1544715 0.2675526 0.3376793), wk = 0.0037313
k( 206) = ( 0.1463415 0.2534708 0.3376793), wk = 0.0037313
k( 207) = ( 0.1382114 0.2393891 0.3376793), wk = 0.0037313
k( 208) = ( 0.1300813 0.2253074 0.3376793), wk = 0.0037313
k( 209) = ( 0.1219512 0.2112257 0.3376793), wk = 0.0037313
k( 210) = ( 0.1138211 0.1971440 0.3376793), wk = 0.0037313
k( 211) = ( 0.1056911 0.1830623 0.3376793), wk = 0.0037313
k( 212) = ( 0.0975610 0.1689806 0.3376793), wk = 0.0037313
k( 213) = ( 0.0894309 0.1548988 0.3376793), wk = 0.0037313
k( 214) = ( 0.0813008 0.1408171 0.3376793), wk = 0.0037313
k( 215) = ( 0.0731707 0.1267354 0.3376793), wk = 0.0037313
k( 216) = ( 0.0650407 0.1126537 0.3376793), wk = 0.0037313
k( 217) = ( 0.0569106 0.0985720 0.3376793), wk = 0.0037313
k( 218) = ( 0.0487805 0.0844903 0.3376793), wk = 0.0037313
k( 219) = ( 0.0406504 0.0704086 0.3376793), wk = 0.0037313
k( 220) = ( 0.0325203 0.0563269 0.3376793), wk = 0.0037313
k( 221) = ( 0.0243902 0.0422451 0.3376793), wk = 0.0037313
k( 222) = ( 0.0162602 0.0281634 0.3376793), wk = 0.0037313
k( 223) = ( 0.0081301 0.0140817 0.3376793), wk = 0.0037313
k( 224) = ( 0.0000000 0.0000000 0.3376793), wk = 0.0037313
k( 225) = ( 0.5000000 0.2886751 0.3376793), wk = 0.0037313
k( 226) = ( 0.5000000 0.2886751 0.3215993), wk = 0.0037313
k( 227) = ( 0.5000000 0.2886751 0.3055193), wk = 0.0037313
k( 228) = ( 0.5000000 0.2886751 0.2894394), wk = 0.0037313
k( 229) = ( 0.5000000 0.2886751 0.2733594), wk = 0.0037313
k( 230) = ( 0.5000000 0.2886751 0.2572794), wk = 0.0037313
k( 231) = ( 0.5000000 0.2886751 0.2411995), wk = 0.0037313
k( 232) = ( 0.5000000 0.2886751 0.2251195), wk = 0.0037313
k( 233) = ( 0.5000000 0.2886751 0.2090395), wk = 0.0037313
k( 234) = ( 0.5000000 0.2886751 0.1929596), wk = 0.0037313
k( 235) = ( 0.5000000 0.2886751 0.1768796), wk = 0.0037313
k( 236) = ( 0.5000000 0.2886751 0.1607997), wk = 0.0037313
k( 237) = ( 0.5000000 0.2886751 0.1447197), wk = 0.0037313
k( 238) = ( 0.5000000 0.2886751 0.1286397), wk = 0.0037313
k( 239) = ( 0.5000000 0.2886751 0.1125598), wk = 0.0037313
k( 240) = ( 0.5000000 0.2886751 0.0964798), wk = 0.0037313
k( 241) = ( 0.5000000 0.2886751 0.0803998), wk = 0.0037313
k( 242) = ( 0.5000000 0.2886751 0.0643199), wk = 0.0037313
k( 243) = ( 0.5000000 0.2886751 0.0482399), wk = 0.0037313
k( 244) = ( 0.5000000 0.2886751 0.0321599), wk = 0.0037313
k( 245) = ( 0.5000000 0.2886751 0.0160800), wk = 0.0037313
k( 246) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313
k( 247) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313
k( 248) = ( 0.3333333 0.5773503 0.0160800), wk = 0.0037313
k( 249) = ( 0.3333333 0.5773503 0.0321599), wk = 0.0037313
k( 250) = ( 0.3333333 0.5773503 0.0482399), wk = 0.0037313
k( 251) = ( 0.3333333 0.5773503 0.0643199), wk = 0.0037313
k( 252) = ( 0.3333333 0.5773503 0.0803998), wk = 0.0037313
k( 253) = ( 0.3333333 0.5773503 0.0964798), wk = 0.0037313
k( 254) = ( 0.3333333 0.5773503 0.1125598), wk = 0.0037313
k( 255) = ( 0.3333333 0.5773503 0.1286397), wk = 0.0037313
k( 256) = ( 0.3333333 0.5773503 0.1447197), wk = 0.0037313
k( 257) = ( 0.3333333 0.5773503 0.1607997), wk = 0.0037313
k( 258) = ( 0.3333333 0.5773503 0.1768796), wk = 0.0037313
k( 259) = ( 0.3333333 0.5773503 0.1929596), wk = 0.0037313
k( 260) = ( 0.3333333 0.5773503 0.2090395), wk = 0.0037313
k( 261) = ( 0.3333333 0.5773503 0.2251195), wk = 0.0037313
k( 262) = ( 0.3333333 0.5773503 0.2411995), wk = 0.0037313
k( 263) = ( 0.3333333 0.5773503 0.2572794), wk = 0.0037313
k( 264) = ( 0.3333333 0.5773503 0.2733594), wk = 0.0037313
k( 265) = ( 0.3333333 0.5773503 0.2894394), wk = 0.0037313
k( 266) = ( 0.3333333 0.5773503 0.3055193), wk = 0.0037313
k( 267) = ( 0.3333333 0.5773503 0.3215993), wk = 0.0037313
k( 268) = ( 0.3333333 0.5773503 0.3376793), wk = 0.0037313
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 2) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0037313
k( 3) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0037313
k( 4) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0037313
k( 5) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0037313
k( 6) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0037313
k( 7) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0037313
k( 8) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0037313
k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0037313
k( 10) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0037313
k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0037313
k( 12) = ( 0.1527778 -0.0000000 0.0000000), wk = 0.0037313
k( 13) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0037313
k( 14) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0037313
k( 15) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0037313
k( 16) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0037313
k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0037313
k( 18) = ( 0.2361111 -0.0000000 0.0000000), wk = 0.0037313
k( 19) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037313
k( 20) = ( 0.2638889 0.0000000 0.0000000), wk = 0.0037313
k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0037313
k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0037313
k( 23) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0037313
k( 24) = ( 0.3194444 -0.0000000 0.0000000), wk = 0.0037313
k( 25) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0037313
k( 26) = ( 0.3472222 0.0000000 0.0000000), wk = 0.0037313
k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0037313
k( 28) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0037313
k( 29) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0037313
k( 30) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0037313
k( 31) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0037313
k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0037313
k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0037313
k( 34) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0037313
k( 35) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0037313
k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0037313
k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313
k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313
k( 39) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0037313
k( 40) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0037313
k( 41) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0037313
k( 42) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0037313
k( 43) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0037313
k( 44) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0037313
k( 45) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0037313
k( 46) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0037313
k( 47) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0037313
k( 48) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0037313
k( 49) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0037313
k( 50) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0037313
k( 51) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0037313
k( 52) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0037313
k( 53) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0037313
k( 54) = ( 0.3730159 0.2539682 0.0000000), wk = 0.0037313
k( 55) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0037313
k( 56) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0037313
k( 57) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0037313
k( 58) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0037313
k( 59) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037313
k( 60) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037313
k( 61) = ( 0.3252032 0.3252033 0.0000000), wk = 0.0037313
k( 62) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0037313
k( 63) = ( 0.3089431 0.3089431 0.0000000), wk = 0.0037313
k( 64) = ( 0.3008130 0.3008130 -0.0000000), wk = 0.0037313
k( 65) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0037313
k( 66) = ( 0.2845529 0.2845529 0.0000000), wk = 0.0037313
k( 67) = ( 0.2764228 0.2764228 0.0000000), wk = 0.0037313
k( 68) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0037313
k( 69) = ( 0.2601626 0.2601626 0.0000000), wk = 0.0037313
k( 70) = ( 0.2520325 0.2520325 0.0000000), wk = 0.0037313
k( 71) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0037313
k( 72) = ( 0.2357724 0.2357724 0.0000000), wk = 0.0037313
k( 73) = ( 0.2276423 0.2276423 -0.0000000), wk = 0.0037313
k( 74) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0037313
k( 75) = ( 0.2113821 0.2113821 0.0000000), wk = 0.0037313
k( 76) = ( 0.2032520 0.2032520 -0.0000000), wk = 0.0037313
k( 77) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0037313
k( 78) = ( 0.1869919 0.1869919 0.0000000), wk = 0.0037313
k( 79) = ( 0.1788618 0.1788618 -0.0000000), wk = 0.0037313
k( 80) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0037313
k( 81) = ( 0.1626016 0.1626016 -0.0000000), wk = 0.0037313
k( 82) = ( 0.1544715 0.1544715 -0.0000000), wk = 0.0037313
k( 83) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0037313
k( 84) = ( 0.1382114 0.1382114 0.0000000), wk = 0.0037313
k( 85) = ( 0.1300813 0.1300813 0.0000000), wk = 0.0037313
k( 86) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0037313
k( 87) = ( 0.1138211 0.1138211 -0.0000000), wk = 0.0037313
k( 88) = ( 0.1056911 0.1056911 -0.0000000), wk = 0.0037313
k( 89) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0037313
k( 90) = ( 0.0894309 0.0894309 -0.0000000), wk = 0.0037313
k( 91) = ( 0.0813008 0.0813008 -0.0000000), wk = 0.0037313
k( 92) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0037313
k( 93) = ( 0.0650407 0.0650407 0.0000000), wk = 0.0037313
k( 94) = ( 0.0569106 0.0569106 -0.0000000), wk = 0.0037313
k( 95) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0037313
k( 96) = ( 0.0406504 0.0406504 -0.0000000), wk = 0.0037313
k( 97) = ( 0.0325203 0.0325203 -0.0000000), wk = 0.0037313
k( 98) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0037313
k( 99) = ( 0.0162602 0.0162602 0.0000000), wk = 0.0037313
k( 100) = ( 0.0081301 0.0081301 0.0000000), wk = 0.0037313
k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313
k( 103) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0037313
k( 104) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0037313
k( 105) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0037313
k( 106) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0037313
k( 107) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0037313
k( 108) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0037313
k( 109) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037313
k( 110) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0037313
k( 111) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0037313
k( 112) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0037313
k( 113) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0037313
k( 114) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0037313
k( 115) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0037313
k( 116) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037313
k( 117) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0037313
k( 118) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0037313
k( 119) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0037313
k( 120) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0037313
k( 121) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0037313
k( 122) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0037313
k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313
k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313
k( 125) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0037313
k( 126) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0037313
k( 127) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0037313
k( 128) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0037313
k( 129) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0037313
k( 130) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0037313
k( 131) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0037313
k( 132) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0037313
k( 133) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0037313
k( 134) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0037313
k( 135) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0037313
k( 136) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0037313
k( 137) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0037313
k( 138) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0037313
k( 139) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0037313
k( 140) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0037313
k( 141) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0037313
k( 142) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037313
k( 143) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0037313
k( 144) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0037313
k( 145) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0037313
k( 146) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0037313
k( 147) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0037313
k( 148) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0037313
k( 149) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0037313
k( 150) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0037313
k( 151) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0037313
k( 152) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0037313
k( 153) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0037313
k( 154) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0037313
k( 155) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0037313
k( 156) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0037313
k( 157) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0037313
k( 158) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0037313
k( 159) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0037313
k( 160) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313
k( 161) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313
k( 162) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0037313
k( 163) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0037313
k( 164) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0037313
k( 165) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0037313
k( 166) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0037313
k( 167) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0037313
k( 168) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037313
k( 169) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0037313
k( 170) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0037313
k( 171) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0037313
k( 172) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0037313
k( 173) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0037313
k( 174) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0037313
k( 175) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037313
k( 176) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0037313
k( 177) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0037313
k( 178) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0037313
k( 179) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0037313
k( 180) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0037313
k( 181) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0037313
k( 182) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313
k( 183) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313
k( 184) = ( 0.3252032 0.3252033 0.5000000), wk = 0.0037313
k( 185) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0037313
k( 186) = ( 0.3089431 0.3089431 0.5000000), wk = 0.0037313
k( 187) = ( 0.3008130 0.3008130 0.5000000), wk = 0.0037313
k( 188) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0037313
k( 189) = ( 0.2845529 0.2845529 0.5000000), wk = 0.0037313
k( 190) = ( 0.2764228 0.2764228 0.5000000), wk = 0.0037313
k( 191) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0037313
k( 192) = ( 0.2601626 0.2601626 0.5000000), wk = 0.0037313
k( 193) = ( 0.2520325 0.2520325 0.5000000), wk = 0.0037313
k( 194) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0037313
k( 195) = ( 0.2357724 0.2357724 0.5000000), wk = 0.0037313
k( 196) = ( 0.2276423 0.2276423 0.5000000), wk = 0.0037313
k( 197) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0037313
k( 198) = ( 0.2113821 0.2113821 0.5000000), wk = 0.0037313
k( 199) = ( 0.2032520 0.2032520 0.5000000), wk = 0.0037313
k( 200) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0037313
k( 201) = ( 0.1869919 0.1869919 0.5000000), wk = 0.0037313
k( 202) = ( 0.1788618 0.1788618 0.5000000), wk = 0.0037313
k( 203) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0037313
k( 204) = ( 0.1626016 0.1626016 0.5000000), wk = 0.0037313
k( 205) = ( 0.1544715 0.1544715 0.5000000), wk = 0.0037313
k( 206) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0037313
k( 207) = ( 0.1382114 0.1382114 0.5000000), wk = 0.0037313
k( 208) = ( 0.1300813 0.1300813 0.5000000), wk = 0.0037313
k( 209) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0037313
k( 210) = ( 0.1138211 0.1138211 0.5000000), wk = 0.0037313
k( 211) = ( 0.1056911 0.1056911 0.5000000), wk = 0.0037313
k( 212) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0037313
k( 213) = ( 0.0894309 0.0894309 0.5000000), wk = 0.0037313
k( 214) = ( 0.0813008 0.0813008 0.5000000), wk = 0.0037313
k( 215) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0037313
k( 216) = ( 0.0650407 0.0650407 0.5000000), wk = 0.0037313
k( 217) = ( 0.0569106 0.0569106 0.5000000), wk = 0.0037313
k( 218) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0037313
k( 219) = ( 0.0406504 0.0406504 0.5000000), wk = 0.0037313
k( 220) = ( 0.0325203 0.0325203 0.5000000), wk = 0.0037313
k( 221) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0037313
k( 222) = ( 0.0162602 0.0162602 0.5000000), wk = 0.0037313
k( 223) = ( 0.0081301 0.0081301 0.5000000), wk = 0.0037313
k( 224) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313
k( 225) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313
k( 226) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0037313
k( 227) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0037313
k( 228) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0037313
k( 229) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0037313
k( 230) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0037313
k( 231) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0037313
k( 232) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0037313
k( 233) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0037313
k( 234) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0037313
k( 235) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0037313
k( 236) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0037313
k( 237) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0037313
k( 238) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0037313
k( 239) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0037313
k( 240) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0037313
k( 241) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0037313
k( 242) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0037313
k( 243) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0037313
k( 244) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0037313
k( 245) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0037313
k( 246) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037313
k( 247) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037313
k( 248) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0037313
k( 249) = ( 0.3333333 0.3333333 0.0476190), wk = 0.0037313
k( 250) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0037313
k( 251) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0037313
k( 252) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0037313
k( 253) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0037313
k( 254) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0037313
k( 255) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0037313
k( 256) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0037313
k( 257) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0037313
k( 258) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0037313
k( 259) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0037313
k( 260) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0037313
k( 261) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037313
k( 262) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0037313
k( 263) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0037313
k( 264) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0037313
k( 265) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0037313
k( 266) = ( 0.3333333 0.3333333 0.4523809), wk = 0.0037313
k( 267) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0037313
k( 268) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313
Dense grid: 118223 G-vectors FFT dimensions: ( 60, 60, 90)
Smooth grid: 52323 G-vectors FFT dimensions: ( 45, 45, 64)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.40 Mb ( 384, 68)
NL pseudopotentials 0.58 Mb ( 192, 198)
Each V/rho on FFT grid 0.16 Mb ( 10800)
Each G-vector array 0.03 Mb ( 3285)
G-vector shells 0.01 Mb ( 1498)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.59 Mb ( 384, 272)
Each subspace H/S matrix 0.07 Mb ( 68, 68)
Each <psi_i|beta_j> matrix 0.41 Mb ( 198, 2, 68)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./CaZn2xPOx2.save/charge-density.dat
Starting wfc are 84 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 6.7 secs
Computing kpt #: 2
total cpu time spent up to now is 8.5 secs
Computing kpt #: 3
total cpu time spent up to now is 9.9 secs
Computing kpt #: 4
total cpu time spent up to now is 11.3 secs
Computing kpt #: 5
total cpu time spent up to now is 12.4 secs
Computing kpt #: 6
total cpu time spent up to now is 13.4 secs
Computing kpt #: 7
total cpu time spent up to now is 14.7 secs
Computing kpt #: 8
total cpu time spent up to now is 15.9 secs
Computing kpt #: 9
total cpu time spent up to now is 17.2 secs
Computing kpt #: 10
total cpu time spent up to now is 18.2 secs
Computing kpt #: 11
total cpu time spent up to now is 19.6 secs
Computing kpt #: 12
total cpu time spent up to now is 21.0 secs
Computing kpt #: 13
total cpu time spent up to now is 22.4 secs
Computing kpt #: 14
total cpu time spent up to now is 23.8 secs
Computing kpt #: 15
total cpu time spent up to now is 25.2 secs
Computing kpt #: 16
total cpu time spent up to now is 26.6 secs
Computing kpt #: 17
total cpu time spent up to now is 28.0 secs
Computing kpt #: 18
total cpu time spent up to now is 29.4 secs
Computing kpt #: 19
total cpu time spent up to now is 30.9 secs
Computing kpt #: 20
total cpu time spent up to now is 32.0 secs
Computing kpt #: 21
total cpu time spent up to now is 33.2 secs
Computing kpt #: 22
total cpu time spent up to now is 34.4 secs
Computing kpt #: 23
total cpu time spent up to now is 35.7 secs
Computing kpt #: 24
total cpu time spent up to now is 36.9 secs
Computing kpt #: 25
total cpu time spent up to now is 38.2 secs
Computing kpt #: 26
total cpu time spent up to now is 39.5 secs
Computing kpt #: 27
total cpu time spent up to now is 40.8 secs
Computing kpt #: 28
total cpu time spent up to now is 42.3 secs
Computing kpt #: 29
total cpu time spent up to now is 43.7 secs
Computing kpt #: 30
total cpu time spent up to now is 45.1 secs
Computing kpt #: 31
total cpu time spent up to now is 46.3 secs
Computing kpt #: 32
total cpu time spent up to now is 47.8 secs
Computing kpt #: 33
total cpu time spent up to now is 49.2 secs
Computing kpt #: 34
total cpu time spent up to now is 50.6 secs
Computing kpt #: 35
total cpu time spent up to now is 51.9 secs
Computing kpt #: 36
total cpu time spent up to now is 53.3 secs
Computing kpt #: 37
total cpu time spent up to now is 54.7 secs
Computing kpt #: 38
total cpu time spent up to now is 56.1 secs
Computing kpt #: 39
total cpu time spent up to now is 57.4 secs
Computing kpt #: 40
total cpu time spent up to now is 58.7 secs
Computing kpt #: 41
total cpu time spent up to now is 60.1 secs
Computing kpt #: 42
total cpu time spent up to now is 61.4 secs
Computing kpt #: 43
total cpu time spent up to now is 62.7 secs
Computing kpt #: 44
total cpu time spent up to now is 64.1 secs
Computing kpt #: 45
total cpu time spent up to now is 65.6 secs
Computing kpt #: 46
total cpu time spent up to now is 67.1 secs
Computing kpt #: 47
total cpu time spent up to now is 68.5 secs
Computing kpt #: 48
total cpu time spent up to now is 70.0 secs
Computing kpt #: 49
total cpu time spent up to now is 71.5 secs
Computing kpt #: 50
total cpu time spent up to now is 73.0 secs
Computing kpt #: 51
total cpu time spent up to now is 74.7 secs
Computing kpt #: 52
total cpu time spent up to now is 76.5 secs
Computing kpt #: 53
total cpu time spent up to now is 78.0 secs
Computing kpt #: 54
total cpu time spent up to now is 79.7 secs
Computing kpt #: 55
total cpu time spent up to now is 81.3 secs
Computing kpt #: 56
total cpu time spent up to now is 83.0 secs
Computing kpt #: 57
total cpu time spent up to now is 84.6 secs
Computing kpt #: 58
total cpu time spent up to now is 86.2 secs
Computing kpt #: 59
total cpu time spent up to now is 88.1 secs
Computing kpt #: 60
total cpu time spent up to now is 90.0 secs
Computing kpt #: 61
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 92.6 secs
Computing kpt #: 62
total cpu time spent up to now is 94.4 secs
Computing kpt #: 63
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 97.0 secs
Computing kpt #: 64
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 99.5 secs
Computing kpt #: 65
total cpu time spent up to now is 101.3 secs
Computing kpt #: 66
total cpu time spent up to now is 102.9 secs
Computing kpt #: 67
total cpu time spent up to now is 104.4 secs
Computing kpt #: 68
total cpu time spent up to now is 106.1 secs
Computing kpt #: 69
total cpu time spent up to now is 107.5 secs
Computing kpt #: 70
total cpu time spent up to now is 109.0 secs
Computing kpt #: 71
total cpu time spent up to now is 110.4 secs
Computing kpt #: 72
total cpu time spent up to now is 112.1 secs
Computing kpt #: 73
total cpu time spent up to now is 113.6 secs
Computing kpt #: 74
total cpu time spent up to now is 115.3 secs
Computing kpt #: 75
total cpu time spent up to now is 117.0 secs
Computing kpt #: 76
total cpu time spent up to now is 118.8 secs
Computing kpt #: 77
total cpu time spent up to now is 120.8 secs
Computing kpt #: 78
total cpu time spent up to now is 122.4 secs
Computing kpt #: 79
total cpu time spent up to now is 123.9 secs
Computing kpt #: 80
total cpu time spent up to now is 125.4 secs
Computing kpt #: 81
total cpu time spent up to now is 126.9 secs
Computing kpt #: 82
total cpu time spent up to now is 128.3 secs
Computing kpt #: 83
total cpu time spent up to now is 129.8 secs
Computing kpt #: 84
total cpu time spent up to now is 131.2 secs
Computing kpt #: 85
total cpu time spent up to now is 132.6 secs
Computing kpt #: 86
total cpu time spent up to now is 134.0 secs
Computing kpt #: 87
total cpu time spent up to now is 135.4 secs
Computing kpt #: 88
total cpu time spent up to now is 136.7 secs
Computing kpt #: 89
total cpu time spent up to now is 138.0 secs
Computing kpt #: 90
total cpu time spent up to now is 139.2 secs
Computing kpt #: 91
total cpu time spent up to now is 140.4 secs
Computing kpt #: 92
total cpu time spent up to now is 141.7 secs
Computing kpt #: 93
total cpu time spent up to now is 143.2 secs
Computing kpt #: 94
total cpu time spent up to now is 144.5 secs
Computing kpt #: 95
total cpu time spent up to now is 145.6 secs
Computing kpt #: 96
total cpu time spent up to now is 146.9 secs
Computing kpt #: 97
total cpu time spent up to now is 148.3 secs
Computing kpt #: 98
total cpu time spent up to now is 149.6 secs
Computing kpt #: 99
total cpu time spent up to now is 151.0 secs
Computing kpt #: 100
total cpu time spent up to now is 152.7 secs
Computing kpt #: 101
total cpu time spent up to now is 154.2 secs
Computing kpt #: 102
total cpu time spent up to now is 155.9 secs
Computing kpt #: 103
total cpu time spent up to now is 157.9 secs
Computing kpt #: 104
total cpu time spent up to now is 159.6 secs
Computing kpt #: 105
total cpu time spent up to now is 161.7 secs
Computing kpt #: 106
total cpu time spent up to now is 164.0 secs
Computing kpt #: 107
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 166.5 secs
Computing kpt #: 108
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 169.1 secs
Computing kpt #: 109
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 171.7 secs
Computing kpt #: 110
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 174.2 secs
Computing kpt #: 111
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 176.8 secs
Computing kpt #: 112
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 179.3 secs
Computing kpt #: 113
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 181.7 secs
Computing kpt #: 114
total cpu time spent up to now is 183.5 secs
Computing kpt #: 115
total cpu time spent up to now is 185.2 secs
Computing kpt #: 116
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 187.8 secs
Computing kpt #: 117
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 190.3 secs
Computing kpt #: 118
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 192.7 secs
Computing kpt #: 119
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 195.2 secs
Computing kpt #: 120
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 197.8 secs
Computing kpt #: 121
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 200.4 secs
Computing kpt #: 122
total cpu time spent up to now is 202.1 secs
Computing kpt #: 123
total cpu time spent up to now is 203.8 secs
Computing kpt #: 124
total cpu time spent up to now is 205.6 secs
Computing kpt #: 125
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 208.1 secs
Computing kpt #: 126
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 211.1 secs
Computing kpt #: 127
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 213.6 secs
Computing kpt #: 128
total cpu time spent up to now is 215.4 secs
Computing kpt #: 129
total cpu time spent up to now is 217.1 secs
Computing kpt #: 130
total cpu time spent up to now is 218.3 secs
Computing kpt #: 131
total cpu time spent up to now is 219.5 secs
Computing kpt #: 132
total cpu time spent up to now is 220.6 secs
Computing kpt #: 133
total cpu time spent up to now is 221.7 secs
Computing kpt #: 134
total cpu time spent up to now is 222.8 secs
Computing kpt #: 135
total cpu time spent up to now is 223.9 secs
Computing kpt #: 136
total cpu time spent up to now is 224.9 secs
Computing kpt #: 137
total cpu time spent up to now is 226.0 secs
Computing kpt #: 138
total cpu time spent up to now is 227.1 secs
Computing kpt #: 139
total cpu time spent up to now is 228.2 secs
Computing kpt #: 140
total cpu time spent up to now is 229.4 secs
Computing kpt #: 141
total cpu time spent up to now is 230.5 secs
Computing kpt #: 142
total cpu time spent up to now is 231.8 secs
Computing kpt #: 143
total cpu time spent up to now is 233.0 secs
Computing kpt #: 144
total cpu time spent up to now is 234.7 secs
Computing kpt #: 145
total cpu time spent up to now is 237.2 secs
Computing kpt #: 146
total cpu time spent up to now is 239.0 secs
Computing kpt #: 147
total cpu time spent up to now is 240.8 secs
Computing kpt #: 148
total cpu time spent up to now is 242.2 secs
Computing kpt #: 149
total cpu time spent up to now is 244.2 secs
Computing kpt #: 150
total cpu time spent up to now is 245.6 secs
Computing kpt #: 151
total cpu time spent up to now is 246.9 secs
Computing kpt #: 152
total cpu time spent up to now is 248.3 secs
Computing kpt #: 153
total cpu time spent up to now is 249.6 secs
Computing kpt #: 154
total cpu time spent up to now is 251.0 secs
Computing kpt #: 155
total cpu time spent up to now is 252.4 secs
Computing kpt #: 156
total cpu time spent up to now is 253.8 secs
Computing kpt #: 157
total cpu time spent up to now is 255.3 secs
Computing kpt #: 158
total cpu time spent up to now is 256.7 secs
Computing kpt #: 159
total cpu time spent up to now is 258.2 secs
Computing kpt #: 160
total cpu time spent up to now is 259.6 secs
Computing kpt #: 161
total cpu time spent up to now is 261.0 secs
Computing kpt #: 162
total cpu time spent up to now is 262.5 secs
Computing kpt #: 163
total cpu time spent up to now is 263.9 secs
Computing kpt #: 164
total cpu time spent up to now is 265.3 secs
Computing kpt #: 165
total cpu time spent up to now is 266.7 secs
Computing kpt #: 166
total cpu time spent up to now is 268.2 secs
Computing kpt #: 167
total cpu time spent up to now is 269.7 secs
Computing kpt #: 168
total cpu time spent up to now is 271.3 secs
Computing kpt #: 169
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 273.9 secs
Computing kpt #: 170
total cpu time spent up to now is 276.0 secs
Computing kpt #: 171
total cpu time spent up to now is 277.8 secs
Computing kpt #: 172
total cpu time spent up to now is 279.5 secs
Computing kpt #: 173
total cpu time spent up to now is 281.3 secs
Computing kpt #: 174
total cpu time spent up to now is 282.9 secs
Computing kpt #: 175
total cpu time spent up to now is 284.4 secs
Computing kpt #: 176
total cpu time spent up to now is 285.8 secs
Computing kpt #: 177
total cpu time spent up to now is 287.3 secs
Computing kpt #: 178
total cpu time spent up to now is 288.8 secs
Computing kpt #: 179
total cpu time spent up to now is 290.5 secs
Computing kpt #: 180
total cpu time spent up to now is 292.6 secs
Computing kpt #: 181
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 295.1 secs
Computing kpt #: 182
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 297.8 secs
Computing kpt #: 183
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 300.4 secs
Computing kpt #: 184
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 303.0 secs
Computing kpt #: 185
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 305.5 secs
Computing kpt #: 186
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 308.1 secs
Computing kpt #: 187
total cpu time spent up to now is 310.1 secs
Computing kpt #: 188
total cpu time spent up to now is 311.5 secs
Computing kpt #: 189
total cpu time spent up to now is 313.0 secs
Computing kpt #: 190
total cpu time spent up to now is 314.4 secs
Computing kpt #: 191
total cpu time spent up to now is 315.9 secs
Computing kpt #: 192
total cpu time spent up to now is 317.4 secs
Computing kpt #: 193
total cpu time spent up to now is 319.0 secs
Computing kpt #: 194
total cpu time spent up to now is 320.5 secs
Computing kpt #: 195
total cpu time spent up to now is 322.2 secs
Computing kpt #: 196
total cpu time spent up to now is 323.7 secs
Computing kpt #: 197
total cpu time spent up to now is 325.3 secs
Computing kpt #: 198
total cpu time spent up to now is 326.8 secs
Computing kpt #: 199
total cpu time spent up to now is 328.2 secs
Computing kpt #: 200
total cpu time spent up to now is 329.6 secs
Computing kpt #: 201
total cpu time spent up to now is 331.0 secs
Computing kpt #: 202
total cpu time spent up to now is 332.3 secs
Computing kpt #: 203
total cpu time spent up to now is 333.5 secs
Computing kpt #: 204
total cpu time spent up to now is 334.6 secs
Computing kpt #: 205
total cpu time spent up to now is 336.0 secs
Computing kpt #: 206
total cpu time spent up to now is 337.2 secs
Computing kpt #: 207
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 339.6 secs
Computing kpt #: 208
total cpu time spent up to now is 341.5 secs
Computing kpt #: 209
total cpu time spent up to now is 342.9 secs
Computing kpt #: 210
total cpu time spent up to now is 344.6 secs
Computing kpt #: 211
total cpu time spent up to now is 346.0 secs
Computing kpt #: 212
total cpu time spent up to now is 347.6 secs
Computing kpt #: 213
total cpu time spent up to now is 349.3 secs
Computing kpt #: 214
total cpu time spent up to now is 350.9 secs
Computing kpt #: 215
total cpu time spent up to now is 352.4 secs
Computing kpt #: 216
total cpu time spent up to now is 354.1 secs
Computing kpt #: 217
total cpu time spent up to now is 356.1 secs
Computing kpt #: 218
total cpu time spent up to now is 358.4 secs
Computing kpt #: 219
total cpu time spent up to now is 360.8 secs
Computing kpt #: 220
total cpu time spent up to now is 362.8 secs
Computing kpt #: 221
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 365.3 secs
Computing kpt #: 222
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 367.9 secs
Computing kpt #: 223
total cpu time spent up to now is 370.0 secs
Computing kpt #: 224
total cpu time spent up to now is 371.8 secs
Computing kpt #: 225
total cpu time spent up to now is 373.2 secs
Computing kpt #: 226
total cpu time spent up to now is 374.6 secs
Computing kpt #: 227
total cpu time spent up to now is 376.0 secs
Computing kpt #: 228
total cpu time spent up to now is 377.4 secs
Computing kpt #: 229
total cpu time spent up to now is 378.8 secs
Computing kpt #: 230
total cpu time spent up to now is 380.2 secs
Computing kpt #: 231
total cpu time spent up to now is 381.7 secs
Computing kpt #: 232
total cpu time spent up to now is 383.2 secs
Computing kpt #: 233
total cpu time spent up to now is 384.5 secs
Computing kpt #: 234
total cpu time spent up to now is 385.8 secs
Computing kpt #: 235
total cpu time spent up to now is 387.2 secs
Computing kpt #: 236
total cpu time spent up to now is 388.7 secs
Computing kpt #: 237
total cpu time spent up to now is 390.0 secs
Computing kpt #: 238
total cpu time spent up to now is 391.3 secs
Computing kpt #: 239
total cpu time spent up to now is 392.8 secs
Computing kpt #: 240
total cpu time spent up to now is 394.1 secs
Computing kpt #: 241
total cpu time spent up to now is 395.5 secs
Computing kpt #: 242
total cpu time spent up to now is 396.8 secs
Computing kpt #: 243
total cpu time spent up to now is 398.3 secs
Computing kpt #: 244
total cpu time spent up to now is 399.7 secs
Computing kpt #: 245
total cpu time spent up to now is 401.1 secs
Computing kpt #: 246
total cpu time spent up to now is 402.5 secs
Computing kpt #: 247
total cpu time spent up to now is 404.6 secs
Computing kpt #: 248
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 407.1 secs
Computing kpt #: 249
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 409.6 secs
Computing kpt #: 250
total cpu time spent up to now is 411.5 secs
Computing kpt #: 251
total cpu time spent up to now is 413.4 secs
Computing kpt #: 252
total cpu time spent up to now is 415.0 secs
Computing kpt #: 253
total cpu time spent up to now is 416.7 secs
Computing kpt #: 254
total cpu time spent up to now is 418.2 secs
Computing kpt #: 255
total cpu time spent up to now is 419.8 secs
Computing kpt #: 256
total cpu time spent up to now is 421.5 secs
Computing kpt #: 257
total cpu time spent up to now is 423.3 secs
Computing kpt #: 258
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 425.9 secs
Computing kpt #: 259
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 428.5 secs
Computing kpt #: 260
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 431.0 secs
Computing kpt #: 261
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 433.7 secs
Computing kpt #: 262
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 436.3 secs
Computing kpt #: 263
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 438.8 secs
Computing kpt #: 264
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 441.5 secs
Computing kpt #: 265
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 444.1 secs
Computing kpt #: 266
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 446.7 secs
Computing kpt #: 267
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 449.4 secs
Computing kpt #: 268
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 452.0 secs
ethr = 1.79E-08, avg # of iterations = 59.8
total cpu time spent up to now is 452.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6583 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2037 -6.2037 -6.0374 -6.0374
-3.1168 -3.1168 -3.0472 -3.0472 -2.9950 -2.9950 -2.9553 -2.9553
-2.8748 -2.8748 -2.7244 -2.7244 -2.6421 -2.6421 -2.6044 -2.6044
-2.5857 -2.5857 -2.5583 -2.5583 -1.7628 -1.7628 -0.9879 -0.9879
-0.9676 -0.9676 -0.7504 -0.7504 -0.2772 -0.2772 -0.2584 -0.2584
3.0215 3.0215 3.5799 3.5799 3.7533 3.7533 3.7755 3.7755
3.9712 3.9712 4.0104 4.0104 4.4779 4.4779 5.8218 5.8218
5.8377 5.8377 6.9211 6.9211
k = 0.0139 0.0080-0.0000 ( 6579 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6643 -16.6643 -16.4162 -16.4162 -6.2035 -6.2035 -6.0374 -6.0374
-3.1165 -3.1165 -3.0472 -3.0472 -2.9949 -2.9949 -2.9553 -2.9553
-2.8746 -2.8746 -2.7244 -2.7244 -2.6420 -2.6420 -2.6043 -2.6043
-2.5856 -2.5856 -2.5583 -2.5583 -1.7633 -1.7633 -0.9893 -0.9893
-0.9691 -0.9691 -0.7486 -0.7486 -0.2771 -0.2771 -0.2583 -0.2583
3.0135 3.0135 3.5706 3.5706 3.7564 3.7564 3.7803 3.7803
3.9737 3.9737 4.0127 4.0127 4.4830 4.4830 5.8244 5.8244
5.8402 5.8402 6.8951 6.8951
k = 0.0278 0.0160-0.0000 ( 6571 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6639 -16.6639 -16.4165 -16.4165 -6.2031 -6.2031 -6.0372 -6.0372
-3.1157 -3.1157 -3.0473 -3.0473 -2.9946 -2.9946 -2.9550 -2.9550
-2.8741 -2.8741 -2.7243 -2.7243 -2.6418 -2.6418 -2.6040 -2.6040
-2.5854 -2.5854 -2.5584 -2.5584 -1.7647 -1.7647 -0.9940 -0.9940
-0.9729 -0.9729 -0.7437 -0.7437 -0.2768 -0.2768 -0.2581 -0.2581
2.9906 2.9906 3.5445 3.5445 3.7585 3.7585 3.8009 3.8009
3.9770 3.9770 4.0220 4.0220 4.4980 4.4980 5.8322 5.8322
5.8478 5.8478 6.8356 6.8356
k = 0.0417 0.0241-0.0000 ( 6567 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6634 -16.6634 -16.4170 -16.4170 -6.2023 -6.2023 -6.0369 -6.0369
-3.1145 -3.1145 -3.0474 -3.0474 -2.9941 -2.9941 -2.9546 -2.9546
-2.8732 -2.8732 -2.7242 -2.7242 -2.6414 -2.6414 -2.6036 -2.6036
-2.5851 -2.5851 -2.5585 -2.5585 -1.7671 -1.7671 -1.0026 -1.0026
-0.9778 -0.9778 -0.7361 -0.7361 -0.2763 -0.2763 -0.2577 -0.2577
2.9556 2.9556 3.5052 3.5052 3.7565 3.7565 3.8375 3.8375
3.9761 3.9761 4.0409 4.0409 4.5224 4.5224 5.8449 5.8449
5.8604 5.8604 6.7620 6.7620
k = 0.0556 0.0321-0.0000 ( 6565 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6627 -16.6627 -16.4177 -16.4177 -6.2012 -6.2012 -6.0364 -6.0364
-3.1127 -3.1127 -3.0475 -3.0475 -2.9935 -2.9935 -2.9540 -2.9540
-2.8719 -2.8719 -2.7239 -2.7239 -2.6408 -2.6408 -2.6030 -2.6030
-2.5846 -2.5846 -2.5587 -2.5587 -1.7704 -1.7704 -1.0154 -1.0154
-0.9828 -0.9828 -0.7265 -0.7265 -0.2757 -0.2757 -0.2572 -0.2572
2.9120 2.9120 3.4564 3.4564 3.7520 3.7520 3.8845 3.8845
3.9709 3.9709 4.0671 4.0671 4.5550 4.5550 5.8623 5.8623
5.8781 5.8781 6.6827 6.6827
k = 0.0694 0.0401-0.0000 ( 6563 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6617 -16.6617 -16.4186 -16.4186 -6.1999 -6.1999 -6.0359 -6.0359
-3.1105 -3.1105 -3.0476 -3.0476 -2.9926 -2.9926 -2.9532 -2.9532
-2.8703 -2.8703 -2.7236 -2.7236 -2.6402 -2.6402 -2.6023 -2.6023
-2.5839 -2.5839 -2.5589 -2.5589 -1.7747 -1.7747 -1.0316 -1.0316
-0.9881 -0.9881 -0.7154 -0.7154 -0.2749 -0.2749 -0.2566 -0.2566
2.8625 2.8625 3.4012 3.4012 3.7458 3.7458 3.9362 3.9362
3.9640 3.9640 4.0982 4.0982 4.5945 4.5945 5.8841 5.8841
5.9007 5.9007 6.6011 6.6011
k = 0.0833 0.0481-0.0000 ( 6557 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3255 -19.3255
-16.6605 -16.6605 -16.4197 -16.4197 -6.1982 -6.1982 -6.0353 -6.0353
-3.1079 -3.1079 -3.0477 -3.0477 -2.9916 -2.9916 -2.9522 -2.9522
-2.8683 -2.8683 -2.7232 -2.7232 -2.6394 -2.6394 -2.6013 -2.6013
-2.5831 -2.5831 -2.5591 -2.5591 -1.7798 -1.7798 -1.0504 -1.0504
-0.9939 -0.9939 -0.7034 -0.7034 -0.2739 -0.2739 -0.2558 -0.2558
2.8095 2.8095 3.3418 3.3418 3.7380 3.7380 3.9507 3.9507
3.9943 3.9943 4.1341 4.1341 4.6397 4.6397 5.9101 5.9101
5.9278 5.9278 6.5198 6.5198
k = 0.0972 0.0561-0.0000 ( 6551 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3255 -19.3255
-16.6591 -16.6591 -16.4210 -16.4210 -6.1963 -6.1963 -6.0346 -6.0346
-3.1048 -3.1048 -3.0478 -3.0478 -2.9905 -2.9905 -2.9511 -2.9511
-2.8660 -2.8660 -2.7228 -2.7228 -2.6384 -2.6384 -2.6002 -2.6002
-2.5821 -2.5821 -2.5593 -2.5593 -1.7857 -1.7857 -1.0713 -1.0713
-1.0002 -1.0002 -0.6910 -0.6910 -0.2729 -0.2729 -0.2550 -0.2550
2.7545 2.7545 3.2798 3.2798 3.7287 3.7287 3.9399 3.9399
4.0468 4.0468 4.1755 4.1755 4.6895 4.6895 5.9398 5.9398
5.9591 5.9591 6.4405 6.4405
k = 0.1111 0.0642-0.0000 ( 6551 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3256 -19.3256
-16.6575 -16.6575 -16.4225 -16.4225 -6.1941 -6.1941 -6.0338 -6.0338
-3.1015 -3.1015 -3.0480 -3.0480 -2.9892 -2.9892 -2.9499 -2.9499
-2.8632 -2.8632 -2.7222 -2.7222 -2.6374 -2.6374 -2.5990 -2.5990
-2.5810 -2.5810 -2.5596 -2.5596 -1.7924 -1.7924 -1.0939 -1.0939
-1.0072 -1.0072 -0.6782 -0.6782 -0.2718 -0.2718 -0.2541 -0.2541
2.6987 2.6987 3.2161 3.2161 3.7179 3.7179 3.9277 3.9277
4.0956 4.0956 4.2232 4.2232 4.7428 4.7428 5.9727 5.9727
5.9939 5.9939 6.3651 6.3651
k = 0.1250 0.0722-0.0000 ( 6555 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3257 -19.3257
-16.6558 -16.6558 -16.4242 -16.4242 -6.1916 -6.1916 -6.0329 -6.0329
-3.0978 -3.0978 -3.0481 -3.0481 -2.9877 -2.9877 -2.9485 -2.9485
-2.8601 -2.8601 -2.7215 -2.7215 -2.6362 -2.6362 -2.5976 -2.5976
-2.5797 -2.5797 -2.5598 -2.5598 -1.7998 -1.7998 -1.1178 -1.1178
-1.0148 -1.0148 -0.6655 -0.6655 -0.2706 -0.2706 -0.2531 -0.2531
2.6428 2.6428 3.1517 3.1517 3.7058 3.7058 3.9149 3.9149
4.1397 4.1397 4.2763 4.2763 4.7987 4.7987 6.0073 6.0073
6.0317 6.0317 6.2962 6.2962
k = 0.1389 0.0802-0.0000 ( 6553 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3257 -19.3257
-16.6538 -16.6538 -16.4260 -16.4260 -6.1889 -6.1889 -6.0320 -6.0320
-3.0939 -3.0939 -3.0483 -3.0483 -2.9861 -2.9861 -2.9469 -2.9469
-2.8565 -2.8565 -2.7208 -2.7208 -2.6350 -2.6350 -2.5961 -2.5961
-2.5783 -2.5783 -2.5601 -2.5601 -1.8079 -1.8079 -1.1430 -1.1430
-1.0229 -1.0229 -0.6528 -0.6528 -0.2694 -0.2694 -0.2522 -0.2522
2.5874 2.5874 3.0872 3.0872 3.6924 3.6924 3.9018 3.9018
4.1802 4.1802 4.3322 4.3322 4.8565 4.8565 6.0400 6.0400
6.0720 6.0720 6.2385 6.2385
k = 0.1528 0.0882-0.0000 ( 6553 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3258 -19.3258
-16.6516 -16.6516 -16.4281 -16.4281 -6.1859 -6.1859 -6.0311 -6.0311
-3.0899 -3.0899 -3.0484 -3.0484 -2.9844 -2.9844 -2.9451 -2.9451
-2.8525 -2.8525 -2.7199 -2.7199 -2.6336 -2.6336 -2.5944 -2.5944
-2.5767 -2.5767 -2.5603 -2.5603 -1.8167 -1.8167 -1.1692 -1.1692
-1.0315 -1.0315 -0.6403 -0.6403 -0.2682 -0.2682 -0.2512 -0.2512
2.5331 2.5331 3.0230 3.0230 3.6778 3.6778 3.8887 3.8887
4.2187 4.2187 4.3881 4.3881 4.9153 4.9153 6.0599 6.0599
6.1141 6.1141 6.2041 6.2041
k = 0.1667 0.0962-0.0000 ( 6547 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3259 -19.3259
-16.6493 -16.6493 -16.4303 -16.4303 -6.1827 -6.1827 -6.0301 -6.0301
-3.0857 -3.0857 -3.0485 -3.0485 -2.9825 -2.9825 -2.9432 -2.9432
-2.8481 -2.8481 -2.7188 -2.7188 -2.6321 -2.6321 -2.5925 -2.5925
-2.5750 -2.5750 -2.5603 -2.5603 -1.8259 -1.8259 -1.1963 -1.1963
-1.0405 -1.0405 -0.6281 -0.6281 -0.2670 -0.2670 -0.2503 -0.2503
2.4799 2.4799 2.9596 2.9596 3.6623 3.6623 3.8758 3.8758
4.2562 4.2562 4.4418 4.4418 4.9740 4.9740 6.0519 6.0519
6.1577 6.1577 6.2092 6.2092
k = 0.1806 0.1042-0.0000 ( 6549 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3293 -19.3293 -19.3260 -19.3260
-16.6467 -16.6467 -16.4327 -16.4327 -6.1793 -6.1793 -6.0292 -6.0292
-3.0815 -3.0815 -3.0486 -3.0486 -2.9805 -2.9805 -2.9412 -2.9412
-2.8433 -2.8433 -2.7177 -2.7177 -2.6306 -2.6306 -2.5906 -2.5906
-2.5734 -2.5734 -2.5602 -2.5602 -1.8356 -1.8356 -1.2242 -1.2242
-1.0499 -1.0499 -0.6163 -0.6163 -0.2658 -0.2658 -0.2494 -0.2494
2.4282 2.4282 2.8974 2.8974 3.6459 3.6459 3.8632 3.8632
4.2934 4.2934 4.4919 4.4919 5.0313 5.0313 6.0279 6.0279
6.2022 6.2022 6.2435 6.2435
k = 0.1944 0.1123-0.0000 ( 6545 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3294 -19.3294 -19.3261 -19.3261
-16.6441 -16.6441 -16.4352 -16.4352 -6.1757 -6.1757 -6.0283 -6.0283
-3.0773 -3.0773 -3.0487 -3.0487 -2.9784 -2.9784 -2.9391 -2.9391
-2.8380 -2.8380 -2.7164 -2.7164 -2.6290 -2.6290 -2.5884 -2.5884
-2.5718 -2.5718 -2.5597 -2.5597 -1.8456 -1.8456 -1.2529 -1.2529
-1.0596 -1.0596 -0.6048 -0.6048 -0.2646 -0.2646 -0.2486 -0.2486
2.3781 2.3781 2.8366 2.8366 3.6290 3.6290 3.8510 3.8510
4.3302 4.3302 4.5373 4.5373 5.0854 5.0854 6.0074 6.0074
6.2467 6.2467 6.2891 6.2891
k = 0.2083 0.1203-0.0000 ( 6533 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3262 -19.3262
-16.6412 -16.6412 -16.4379 -16.4379 -6.1719 -6.1719 -6.0274 -6.0274
-3.0732 -3.0732 -3.0486 -3.0486 -2.9762 -2.9762 -2.9368 -2.9368
-2.8323 -2.8323 -2.7150 -2.7150 -2.6274 -2.6274 -2.5860 -2.5860
-2.5706 -2.5706 -2.5586 -2.5586 -1.8559 -1.8559 -1.2822 -1.2822
-1.0695 -1.0695 -0.5938 -0.5938 -0.2635 -0.2635 -0.2479 -0.2479
2.3298 2.3298 2.7775 2.7775 3.6116 3.6116 3.8391 3.8391
4.3665 4.3665 4.5775 4.5775 5.1345 5.1345 5.9993 5.9993
6.2906 6.2906 6.3390 6.3390
k = 0.2222 0.1283-0.0000 ( 6537 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3263 -19.3263
-16.6382 -16.6382 -16.4408 -16.4408 -6.1679 -6.1679 -6.0265 -6.0265
-3.0694 -3.0694 -3.0486 -3.0486 -2.9739 -2.9739 -2.9346 -2.9346
-2.8262 -2.8262 -2.7134 -2.7134 -2.6257 -2.6257 -2.5835 -2.5835
-2.5699 -2.5699 -2.5568 -2.5568 -1.8664 -1.8664 -1.3121 -1.3121
-1.0795 -1.0795 -0.5832 -0.5832 -0.2625 -0.2625 -0.2472 -0.2472
2.2832 2.2832 2.7204 2.7204 3.5941 3.5941 3.8278 3.8278
4.4016 4.4016 4.6124 4.6124 5.1773 5.1773 6.0071 6.0071
6.3332 6.3332 6.3900 6.3900
k = 0.2361 0.1363-0.0000 ( 6537 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3294 -19.3294 -19.3264 -19.3264
-16.6351 -16.6351 -16.4437 -16.4437 -6.1638 -6.1638 -6.0258 -6.0258
-3.0658 -3.0658 -3.0483 -3.0483 -2.9715 -2.9715 -2.9323 -2.9323
-2.8197 -2.8197 -2.7116 -2.7116 -2.6239 -2.6239 -2.5808 -2.5808
-2.5695 -2.5695 -2.5543 -2.5543 -1.8770 -1.8770 -1.3426 -1.3426
-1.0895 -1.0895 -0.5730 -0.5730 -0.2615 -0.2615 -0.2467 -0.2467
2.2385 2.2385 2.6655 2.6655 3.5765 3.5765 3.8168 3.8168
4.4347 4.4347 4.6424 4.6424 5.2135 5.2135 6.0324 6.0324
6.3740 6.3740 6.4403 6.4403
k = 0.2500 0.1443-0.0000 ( 6538 PWs) bands (ev):
-38.5089 -38.5089 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6318 -16.6318 -16.4468 -16.4468 -6.1596 -6.1596 -6.0251 -6.0251
-3.0625 -3.0625 -3.0480 -3.0480 -2.9691 -2.9691 -2.9301 -2.9301
-2.8130 -2.8130 -2.7097 -2.7097 -2.6222 -2.6222 -2.5780 -2.5780
-2.5692 -2.5692 -2.5512 -2.5512 -1.8875 -1.8875 -1.3734 -1.3734
-1.0996 -1.0996 -0.5633 -0.5633 -0.2607 -0.2607 -0.2463 -0.2463
2.1957 2.1957 2.6129 2.6129 3.5592 3.5592 3.8064 3.8064
4.4645 4.4645 4.6683 4.6683 5.2441 5.2441 6.0743 6.0743
6.4125 6.4125 6.4882 6.4882
k = 0.2639 0.1524-0.0000 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6285 -16.6285 -16.4501 -16.4501 -6.1552 -6.1552 -6.0245 -6.0245
-3.0598 -3.0598 -3.0473 -3.0473 -2.9665 -2.9665 -2.9279 -2.9279
-2.8061 -2.8061 -2.7076 -2.7076 -2.6203 -2.6203 -2.5754 -2.5754
-2.5686 -2.5686 -2.5477 -2.5477 -1.8978 -1.8978 -1.4047 -1.4047
-1.1095 -1.1095 -0.5540 -0.5540 -0.2599 -0.2599 -0.2460 -0.2460
2.1549 2.1549 2.5628 2.5628 3.5422 3.5422 3.7964 3.7964
4.4891 4.4891 4.6917 4.6917 5.2714 5.2714 6.1302 6.1302
6.4481 6.4481 6.5325 6.5325
k = 0.2778 0.1604-0.0000 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3266 -19.3266
-16.6250 -16.6250 -16.4534 -16.4534 -6.1508 -6.1508 -6.0241 -6.0241
-3.0577 -3.0577 -3.0463 -3.0463 -2.9640 -2.9640 -2.9258 -2.9258
-2.7991 -2.7991 -2.7053 -2.7053 -2.6185 -2.6185 -2.5740 -2.5740
-2.5666 -2.5666 -2.5438 -2.5438 -1.9078 -1.9078 -1.4362 -1.4362
-1.1193 -1.1193 -0.5453 -0.5453 -0.2592 -0.2592 -0.2459 -0.2459
2.1159 2.1159 2.5154 2.5154 3.5256 3.5256 3.7868 3.7868
4.5066 4.5066 4.7146 4.7146 5.2979 5.2979 6.1966 6.1966
6.4807 6.4807 6.5724 6.5724
k = 0.2917 0.1684-0.0000 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3267 -19.3267
-16.6215 -16.6215 -16.4568 -16.4568 -6.1464 -6.1464 -6.0238 -6.0238
-3.0562 -3.0562 -3.0449 -3.0449 -2.9614 -2.9614 -2.9237 -2.9237
-2.7921 -2.7921 -2.7030 -2.7030 -2.6167 -2.6167 -2.5738 -2.5738
-2.5631 -2.5631 -2.5397 -2.5397 -1.9174 -1.9174 -1.4680 -1.4680
-1.1288 -1.1288 -0.5370 -0.5370 -0.2586 -0.2586 -0.2458 -0.2458
2.0790 2.0790 2.4708 2.4708 3.5097 3.5097 3.7778 3.7778
4.5159 4.5159 4.7388 4.7388 5.3257 5.3257 6.2689 6.2689
6.5099 6.5099 6.6081 6.6081
k = 0.3056 0.1764-0.0000 ( 6522 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3296 -19.3296 -19.3268 -19.3268
-16.6178 -16.6178 -16.4602 -16.4602 -6.1419 -6.1419 -6.0236 -6.0236
-3.0552 -3.0552 -3.0432 -3.0432 -2.9588 -2.9588 -2.9218 -2.9218
-2.7853 -2.7853 -2.7004 -2.7004 -2.6149 -2.6149 -2.5742 -2.5742
-2.5585 -2.5585 -2.5353 -2.5353 -1.9264 -1.9264 -1.4998 -1.4998
-1.1381 -1.1381 -0.5292 -0.5292 -0.2581 -0.2581 -0.2459 -0.2459
2.0441 2.0441 2.4290 2.4290 3.4944 3.4944 3.7692 3.7692
4.5168 4.5168 4.7649 4.7649 5.3563 5.3563 6.3422 6.3422
6.5359 6.5359 6.6411 6.6411
k = 0.3194 0.1844-0.0000 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3296 -19.3296 -19.3269 -19.3269
-16.6142 -16.6142 -16.4638 -16.4638 -6.1375 -6.1375 -6.0235 -6.0235
-3.0546 -3.0546 -3.0414 -3.0414 -2.9563 -2.9563 -2.9200 -2.9200
-2.7787 -2.7787 -2.6978 -2.6978 -2.6131 -2.6131 -2.5749 -2.5749
-2.5532 -2.5532 -2.5308 -2.5308 -1.9346 -1.9346 -1.5317 -1.5317
-1.1470 -1.1470 -0.5219 -0.5219 -0.2576 -0.2576 -0.2461 -0.2461
2.0112 2.0112 2.3902 2.3902 3.4800 3.4800 3.7612 3.7612
4.5106 4.5106 4.7927 4.7927 5.3906 5.3906 6.4101 6.4101
6.5587 6.5587 6.6745 6.6745
k = 0.3333 0.1925-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3297 -19.3297 -19.3270 -19.3270
-16.6105 -16.6105 -16.4673 -16.4673 -6.1330 -6.1330 -6.0236 -6.0236
-3.0542 -3.0542 -3.0396 -3.0396 -2.9538 -2.9538 -2.9184 -2.9184
-2.7726 -2.7726 -2.6952 -2.6952 -2.6114 -2.6114 -2.5757 -2.5757
-2.5474 -2.5474 -2.5261 -2.5261 -1.9419 -1.9419 -1.5636 -1.5636
-1.1554 -1.1554 -0.5151 -0.5151 -0.2572 -0.2572 -0.2463 -0.2463
1.9804 1.9804 2.3543 2.3543 3.4664 3.4664 3.7536 3.7536
4.4989 4.4989 4.8211 4.8211 5.4291 5.4291 6.4654 6.4654
6.5786 6.5786 6.7122 6.7122
k = 0.3472 0.2005-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3297 -19.3297 -19.3270 -19.3270
-16.6068 -16.6068 -16.4709 -16.4709 -6.1287 -6.1287 -6.0238 -6.0238
-3.0540 -3.0540 -3.0379 -3.0379 -2.9513 -2.9513 -2.9169 -2.9169
-2.7668 -2.7668 -2.6925 -2.6925 -2.6097 -2.6097 -2.5767 -2.5767
-2.5411 -2.5411 -2.5213 -2.5213 -1.9481 -1.9481 -1.5952 -1.5952
-1.1635 -1.1635 -0.5089 -0.5089 -0.2569 -0.2569 -0.2467 -0.2467
1.9517 1.9517 2.3215 2.3215 3.4538 3.4538 3.7466 3.7466
4.4837 4.4837 4.8493 4.8493 5.4718 5.4718 6.5029 6.5029
6.5958 6.5958 6.7550 6.7550
k = 0.3611 0.2085-0.0000 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3297 -19.3297 -19.3271 -19.3271
-16.6032 -16.6032 -16.4744 -16.4744 -6.1245 -6.1245 -6.0242 -6.0242
-3.0539 -3.0539 -3.0362 -3.0362 -2.9489 -2.9489 -2.9155 -2.9155
-2.7616 -2.7616 -2.6900 -2.6900 -2.6080 -2.6080 -2.5777 -2.5777
-2.5344 -2.5344 -2.5165 -2.5165 -1.9529 -1.9529 -1.6265 -1.6265
-1.1710 -1.1710 -0.5031 -0.5031 -0.2567 -0.2567 -0.2471 -0.2471
1.9252 1.9252 2.2917 2.2917 3.4422 3.4422 3.7401 3.7401
4.4664 4.4664 4.8764 4.8764 5.5186 5.5186 6.5228 6.5228
6.6107 6.6107 6.7967 6.7967
k = 0.3750 0.2165-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3298 -19.3298 -19.3272 -19.3272
-16.5996 -16.5996 -16.4779 -16.4779 -6.1204 -6.1204 -6.0247 -6.0247
-3.0539 -3.0539 -3.0348 -3.0348 -2.9467 -2.9467 -2.9143 -2.9143
-2.7569 -2.7569 -2.6876 -2.6876 -2.6063 -2.6063 -2.5787 -2.5787
-2.5277 -2.5277 -2.5116 -2.5116 -1.9563 -1.9563 -1.6574 -1.6574
-1.1779 -1.1779 -0.4979 -0.4979 -0.2564 -0.2564 -0.2476 -0.2476
1.9009 1.9009 2.2649 2.2649 3.4315 3.4315 3.7342 3.7342
4.4482 4.4482 4.9018 4.9018 5.5693 5.5693 6.5287 6.5287
6.6234 6.6234 6.8266 6.8266
k = 0.3889 0.2245-0.0000 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3298 -19.3298 -19.3272 -19.3272
-16.5961 -16.5961 -16.4812 -16.4812 -6.1166 -6.1166 -6.0252 -6.0252
-3.0538 -3.0538 -3.0335 -3.0335 -2.9446 -2.9446 -2.9132 -2.9132
-2.7528 -2.7528 -2.6854 -2.6854 -2.6047 -2.6047 -2.5797 -2.5797
-2.5209 -2.5209 -2.5067 -2.5067 -1.9578 -1.9578 -1.6877 -1.6877
-1.1842 -1.1842 -0.4932 -0.4932 -0.2562 -0.2562 -0.2481 -0.2481
1.8789 1.8789 2.2411 2.2411 3.4220 3.4220 3.7288 3.7288
4.4301 4.4301 4.9251 4.9251 5.6233 5.6233 6.5238 6.5238
6.6344 6.6344 6.8374 6.8374
k = 0.4028 0.2325-0.0000 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3298 -19.3298 -19.3273 -19.3273
-16.5928 -16.5928 -16.4844 -16.4844 -6.1130 -6.1130 -6.0259 -6.0259
-3.0539 -3.0539 -3.0324 -3.0324 -2.9427 -2.9427 -2.9123 -2.9123
-2.7492 -2.7492 -2.6834 -2.6834 -2.6031 -2.6031 -2.5808 -2.5808
-2.5146 -2.5146 -2.5018 -2.5018 -1.9575 -1.9575 -1.7173 -1.7173
-1.1899 -1.1899 -0.4890 -0.4890 -0.2561 -0.2561 -0.2487 -0.2487
1.8593 1.8593 2.2202 2.2202 3.4135 3.4135 3.7241 3.7241
4.4128 4.4128 4.9460 4.9460 5.6802 5.6802 6.5098 6.5098
6.6436 6.6436 6.8304 6.8304
k = 0.4167 0.2406-0.0000 ( 6524 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3298 -19.3298 -19.3273 -19.3273
-16.5897 -16.5897 -16.4874 -16.4874 -6.1097 -6.1097 -6.0266 -6.0266
-3.0538 -3.0538 -3.0314 -3.0314 -2.9409 -2.9409 -2.9115 -2.9115
-2.7461 -2.7461 -2.6816 -2.6816 -2.6016 -2.6016 -2.5819 -2.5819
-2.5089 -2.5089 -2.4968 -2.4968 -1.9550 -1.9550 -1.7459 -1.7459
-1.1949 -1.1949 -0.4854 -0.4854 -0.2559 -0.2559 -0.2492 -0.2492
1.8421 1.8421 2.2023 2.2023 3.4061 3.4061 3.7199 3.7199
4.3970 4.3970 4.9643 4.9643 5.7395 5.7395 6.4871 6.4871
6.6514 6.6514 6.8127 6.8127
k = 0.4306 0.2486-0.0000 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3299 -19.3299 -19.3273 -19.3273
-16.5869 -16.5869 -16.4902 -16.4902 -6.1067 -6.1067 -6.0273 -6.0273
-3.0539 -3.0539 -3.0306 -3.0306 -2.9394 -2.9394 -2.9109 -2.9109
-2.7436 -2.7436 -2.6802 -2.6802 -2.6001 -2.6001 -2.5830 -2.5830
-2.5040 -2.5040 -2.4921 -2.4921 -1.9503 -1.9503 -1.7734 -1.7734
-1.1991 -1.1991 -0.4823 -0.4823 -0.2557 -0.2557 -0.2498 -0.2498
1.8275 1.8275 2.1872 2.1872 3.3998 3.3998 3.7164 3.7164
4.3830 4.3830 4.9800 4.9800 5.8004 5.8004 6.4560 6.4560
6.6577 6.6577 6.7915 6.7915
k = 0.4444 0.2566-0.0000 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5845 -16.5845 -16.4926 -16.4926 -6.1042 -6.1042 -6.0279 -6.0279
-3.0539 -3.0539 -3.0300 -3.0300 -2.9381 -2.9381 -2.9104 -2.9104
-2.7415 -2.7415 -2.6790 -2.6790 -2.5988 -2.5988 -2.5841 -2.5841
-2.5001 -2.5001 -2.4878 -2.4878 -1.9432 -1.9432 -1.7996 -1.7996
-1.2027 -1.2027 -0.4797 -0.4797 -0.2555 -0.2555 -0.2503 -0.2503
1.8154 1.8154 2.1749 2.1749 3.3947 3.3947 3.7135 3.7135
4.3711 4.3711 4.9929 4.9929 5.8618 5.8618 6.4173 6.4173
6.6628 6.6628 6.7717 6.7717
k = 0.4583 0.2646-0.0000 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5824 -16.5824 -16.4946 -16.4946 -6.1022 -6.1022 -6.0285 -6.0285
-3.0539 -3.0539 -3.0295 -3.0295 -2.9371 -2.9371 -2.9100 -2.9100
-2.7399 -2.7399 -2.6781 -2.6781 -2.5975 -2.5975 -2.5851 -2.5851
-2.4970 -2.4970 -2.4841 -2.4841 -1.9337 -1.9337 -1.8243 -1.8243
-1.2054 -1.2054 -0.4778 -0.4778 -0.2554 -0.2554 -0.2508 -0.2508
1.8059 1.8059 2.1654 2.1654 3.3907 3.3907 3.7112 3.7112
4.3616 4.3616 5.0029 5.0029 5.9220 5.9220 6.3732 6.3732
6.6668 6.6668 6.7558 6.7558
k = 0.4722 0.2726-0.0000 ( 6548 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5809 -16.5809 -16.4960 -16.4960 -6.1007 -6.1007 -6.0290 -6.0290
-3.0539 -3.0539 -3.0291 -3.0291 -2.9364 -2.9364 -2.9098 -2.9098
-2.7388 -2.7388 -2.6775 -2.6775 -2.5965 -2.5965 -2.5860 -2.5860
-2.4949 -2.4949 -2.4813 -2.4813 -1.9220 -1.9220 -1.8471 -1.8471
-1.2074 -1.2074 -0.4764 -0.4764 -0.2552 -0.2552 -0.2511 -0.2511
1.7991 1.7991 2.1587 2.1587 3.3878 3.3878 3.7096 3.7096
4.3547 4.3547 5.0102 5.0102 5.9779 5.9779 6.3279 6.3279
6.6695 6.6695 6.7446 6.7446
k = 0.4861 0.2807-0.0000 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5800 -16.5800 -16.4970 -16.4970 -6.0998 -6.0998 -6.0292 -6.0292
-3.0540 -3.0540 -3.0289 -3.0289 -2.9359 -2.9359 -2.9096 -2.9096
-2.7381 -2.7381 -2.6771 -2.6771 -2.5958 -2.5958 -2.5866 -2.5866
-2.4935 -2.4935 -2.4795 -2.4795 -1.9085 -1.9085 -1.8672 -1.8672
-1.2086 -1.2086 -0.4755 -0.4755 -0.2551 -0.2551 -0.2513 -0.2513
1.7951 1.7951 2.1546 2.1546 3.3861 3.3861 3.7086 3.7086
4.3506 4.3506 5.0145 5.0145 6.0223 6.0223 6.2893 6.2893
6.6711 6.6711 6.7380 6.7380
k = 0.5000 0.2887-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.0994 -6.0994 -6.0293 -6.0293
-3.0539 -3.0539 -3.0288 -3.0288 -2.9357 -2.9357 -2.9095 -2.9095
-2.7379 -2.7379 -2.6770 -2.6770 -2.5955 -2.5955 -2.5868 -2.5868
-2.4931 -2.4931 -2.4789 -2.4789 -1.8988 -1.8988 -1.8791 -1.8791
-1.2090 -1.2090 -0.4752 -0.4752 -0.2551 -0.2551 -0.2514 -0.2514
1.7937 1.7937 2.1533 2.1533 3.3855 3.3855 3.7082 3.7082
4.3492 4.3492 5.0159 5.0159 6.0407 6.0407 6.2728 6.2728
6.6717 6.6717 6.7359 6.7359
k = 0.5000 0.2887-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.0994 -6.0994 -6.0293 -6.0293
-3.0539 -3.0539 -3.0288 -3.0288 -2.9357 -2.9357 -2.9095 -2.9095
-2.7379 -2.7379 -2.6770 -2.6770 -2.5955 -2.5955 -2.5868 -2.5868
-2.4931 -2.4931 -2.4789 -2.4789 -1.8988 -1.8988 -1.8791 -1.8791
-1.2090 -1.2090 -0.4752 -0.4752 -0.2551 -0.2551 -0.2514 -0.2514
1.7937 1.7937 2.1533 2.1533 3.3855 3.3855 3.7082 3.7082
4.3492 4.3492 5.0159 5.0159 6.0407 6.0407 6.2728 6.2728
6.6717 6.6717 6.7359 6.7359
k = 0.4921 0.3024-0.0000 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5796 -16.5796 -16.4974 -16.4974 -6.0993 -6.0993 -6.0294 -6.0294
-3.0539 -3.0539 -3.0288 -3.0288 -2.9358 -2.9358 -2.9096 -2.9096
-2.7377 -2.7377 -2.6770 -2.6770 -2.5957 -2.5957 -2.5866 -2.5866
-2.4934 -2.4934 -2.4785 -2.4785 -1.8989 -1.8989 -1.8787 -1.8787
-1.2102 -1.2102 -0.4746 -0.4746 -0.2557 -0.2557 -0.2512 -0.2512
1.7943 1.7943 2.1528 2.1528 3.3836 3.3836 3.6941 3.6941
4.3661 4.3661 5.0202 5.0202 6.0421 6.0421 6.2704 6.2704
6.6749 6.6749 6.7348 6.7348
k = 0.4841 0.3162-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5793 -16.5793 -16.4977 -16.4977 -6.0990 -6.0990 -6.0296 -6.0296
-3.0538 -3.0538 -3.0287 -3.0287 -2.9359 -2.9359 -2.9097 -2.9097
-2.7372 -2.7372 -2.6772 -2.6772 -2.5962 -2.5962 -2.5858 -2.5858
-2.4943 -2.4943 -2.4774 -2.4774 -1.8990 -1.8990 -1.8778 -1.8778
-1.2136 -1.2136 -0.4726 -0.4726 -0.2571 -0.2571 -0.2509 -0.2509
1.7962 1.7962 2.1513 2.1513 3.3778 3.3778 3.6556 3.6556
4.4130 4.4130 5.0329 5.0329 6.0464 6.0464 6.2634 6.2634
6.6841 6.6841 6.7319 6.7319
k = 0.4762 0.3299-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5787 -16.5787 -16.4982 -16.4982 -6.0984 -6.0984 -6.0299 -6.0299
-3.0536 -3.0536 -3.0286 -3.0286 -2.9360 -2.9360 -2.9098 -2.9098
-2.7363 -2.7363 -2.6774 -2.6774 -2.5968 -2.5968 -2.5846 -2.5846
-2.4955 -2.4955 -2.4757 -2.4757 -1.8991 -1.8991 -1.8762 -1.8762
-1.2193 -1.2193 -0.4695 -0.4695 -0.2591 -0.2591 -0.2508 -0.2508
1.7993 1.7993 2.1488 2.1488 3.3686 3.3686 3.6008 3.6008
4.4814 4.4814 5.0538 5.0538 6.0535 6.0535 6.2527 6.2527
6.6984 6.6984 6.7271 6.7271
k = 0.4683 0.3437-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5780 -16.5780 -16.4989 -16.4989 -6.0975 -6.0975 -6.0303 -6.0303
-3.0533 -3.0533 -3.0284 -3.0284 -2.9362 -2.9362 -2.9099 -2.9099
-2.7352 -2.7352 -2.6778 -2.6778 -2.5977 -2.5977 -2.5831 -2.5831
-2.4969 -2.4969 -2.4737 -2.4737 -1.8992 -1.8992 -1.8740 -1.8740
-1.2271 -1.2271 -0.4651 -0.4651 -0.2614 -0.2614 -0.2511 -0.2511
1.8036 1.8036 2.1454 2.1454 3.3562 3.3562 3.5372 3.5372
4.5642 4.5642 5.0822 5.0822 6.0635 6.0635 6.2390 6.2390
6.7141 6.7141 6.7232 6.7232
k = 0.4603 0.3574-0.0000 ( 6548 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3299 -19.3299 -19.3275 -19.3275
-16.5771 -16.5771 -16.4998 -16.4998 -6.0965 -6.0965 -6.0308 -6.0308
-3.0530 -3.0530 -3.0281 -3.0281 -2.9364 -2.9364 -2.9101 -2.9101
-2.7337 -2.7337 -2.6782 -2.6782 -2.5986 -2.5986 -2.5813 -2.5813
-2.4984 -2.4984 -2.4714 -2.4714 -1.8993 -1.8993 -1.8713 -1.8713
-1.2368 -1.2368 -0.4598 -0.4598 -0.2639 -0.2639 -0.2517 -0.2517
1.8090 1.8090 2.1409 2.1409 3.3414 3.3414 3.4694 3.4694
4.6561 4.6561 5.1176 5.1176 6.0763 6.0763 6.2232 6.2232
6.7098 6.7098 6.7405 6.7405
k = 0.4524 0.3712-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3299 -19.3299 -19.3276 -19.3276
-16.5760 -16.5760 -16.5009 -16.5009 -6.0952 -6.0952 -6.0314 -6.0314
-3.0525 -3.0525 -3.0278 -3.0278 -2.9366 -2.9366 -2.9104 -2.9104
-2.7320 -2.7320 -2.6787 -2.6787 -2.5996 -2.5996 -2.5793 -2.5793
-2.4999 -2.4999 -2.4690 -2.4690 -1.8994 -1.8994 -1.8681 -1.8681
-1.2483 -1.2483 -0.4535 -0.4535 -0.2667 -0.2667 -0.2529 -0.2529
1.8156 1.8156 2.1354 2.1354 3.3246 3.3246 3.4006 3.4006
4.7538 4.7538 5.1592 5.1592 6.0920 6.0920 6.2062 6.2062
6.6997 6.6997 6.7638 6.7638
k = 0.4444 0.3849-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3299 -19.3299 -19.3276 -19.3276
-16.5747 -16.5747 -16.5022 -16.5022 -6.0937 -6.0937 -6.0322 -6.0322
-3.0521 -3.0521 -3.0275 -3.0275 -2.9369 -2.9369 -2.9106 -2.9106
-2.7300 -2.7300 -2.6792 -2.6792 -2.6006 -2.6006 -2.5771 -2.5771
-2.5013 -2.5013 -2.4665 -2.4665 -1.8994 -1.8994 -1.8644 -1.8644
-1.2613 -1.2613 -0.4464 -0.4464 -0.2696 -0.2696 -0.2544 -0.2544
1.8231 1.8231 2.1290 2.1290 3.3064 3.3064 3.3327 3.3327
4.8551 4.8551 5.2061 5.2061 6.1105 6.1105 6.1886 6.1886
6.6877 6.6877 6.7883 6.7883
k = 0.4365 0.3986-0.0000 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3299 -19.3299 -19.3276 -19.3276
-16.5731 -16.5731 -16.5037 -16.5037 -6.0920 -6.0920 -6.0330 -6.0330
-3.0516 -3.0516 -3.0272 -3.0272 -2.9371 -2.9371 -2.9109 -2.9109
-2.7278 -2.7278 -2.6797 -2.6797 -2.6018 -2.6018 -2.5747 -2.5747
-2.5027 -2.5027 -2.4640 -2.4640 -1.8993 -1.8993 -1.8605 -1.8605
-1.2757 -1.2757 -0.4386 -0.4386 -0.2726 -0.2726 -0.2564 -0.2564
1.8317 1.8317 2.1216 2.1216 3.2663 3.2663 3.2881 3.2881
4.9582 4.9582 5.2577 5.2577 6.1317 6.1317 6.1708 6.1708
6.6746 6.6746 6.8126 6.8126
k = 0.4286 0.4124-0.0000 ( 6554 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3277 -19.3277
-16.5714 -16.5714 -16.5053 -16.5053 -6.0901 -6.0901 -6.0341 -6.0341
-3.0511 -3.0511 -3.0268 -3.0268 -2.9373 -2.9373 -2.9113 -2.9113
-2.7254 -2.7254 -2.6803 -2.6803 -2.6030 -2.6030 -2.5722 -2.5722
-2.5040 -2.5040 -2.4614 -2.4614 -1.8991 -1.8991 -1.8563 -1.8563
-1.2910 -1.2910 -0.4304 -0.4304 -0.2757 -0.2757 -0.2589 -0.2589
1.8411 1.8411 2.1133 2.1133 3.2034 3.2034 3.2690 3.2690
5.0617 5.0617 5.3130 5.3130 6.1534 6.1534 6.1554 6.1554
6.6606 6.6606 6.8361 6.8361
k = 0.4206 0.4261-0.0000 ( 6554 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3278 -19.3278
-16.5696 -16.5696 -16.5072 -16.5072 -6.0881 -6.0881 -6.0352 -6.0352
-3.0505 -3.0505 -3.0265 -3.0265 -2.9375 -2.9375 -2.9116 -2.9116
-2.7229 -2.7229 -2.6809 -2.6809 -2.6042 -2.6042 -2.5696 -2.5696
-2.5052 -2.5052 -2.4589 -2.4589 -1.8986 -1.8986 -1.8521 -1.8521
-1.3071 -1.3071 -0.4217 -0.4217 -0.2788 -0.2788 -0.2617 -0.2617
1.8513 1.8513 2.1042 2.1042 3.1438 3.1438 3.2504 3.2504
5.1642 5.1642 5.3712 5.3712 6.1367 6.1367 6.1810 6.1810
6.6463 6.6463 6.8581 6.8581
k = 0.4127 0.4399-0.0000 ( 6562 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3278 -19.3278
-16.5675 -16.5675 -16.5092 -16.5092 -6.0858 -6.0858 -6.0365 -6.0365
-3.0500 -3.0500 -3.0261 -3.0261 -2.9377 -2.9377 -2.9120 -2.9120
-2.7204 -2.7204 -2.6814 -2.6814 -2.6055 -2.6055 -2.5669 -2.5669
-2.5063 -2.5063 -2.4563 -2.4563 -1.8979 -1.8979 -1.8479 -1.8479
-1.3236 -1.3236 -0.4127 -0.4127 -0.2819 -0.2819 -0.2650 -0.2650
1.8621 1.8621 2.0942 2.0942 3.0882 3.0882 3.2325 3.2325
5.2643 5.2643 5.4314 5.4314 6.1211 6.1211 6.2079 6.2079
6.6323 6.6323 6.8779 6.8779
k = 0.4048 0.4536-0.0000 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3278 -19.3278
-16.5652 -16.5652 -16.5115 -16.5115 -6.0834 -6.0834 -6.0379 -6.0379
-3.0495 -3.0495 -3.0257 -3.0257 -2.9377 -2.9377 -2.9123 -2.9123
-2.7177 -2.7177 -2.6819 -2.6819 -2.6068 -2.6068 -2.5642 -2.5642
-2.5073 -2.5073 -2.4539 -2.4539 -1.8967 -1.8967 -1.8440 -1.8440
-1.3402 -1.3402 -0.4036 -0.4036 -0.2849 -0.2849 -0.2686 -0.2686
1.8734 1.8734 2.0835 2.0835 3.0370 3.0370 3.2157 3.2157
5.3606 5.3606 5.4929 5.4929 6.1068 6.1068 6.2348 6.2348
6.6196 6.6196 6.8953 6.8953
k = 0.3968 0.4674-0.0000 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5628 -16.5628 -16.5138 -16.5138 -6.0809 -6.0809 -6.0395 -6.0395
-3.0489 -3.0489 -3.0253 -3.0253 -2.9377 -2.9377 -2.9126 -2.9126
-2.7152 -2.7152 -2.6824 -2.6824 -2.6081 -2.6081 -2.5615 -2.5615
-2.5081 -2.5081 -2.4515 -2.4515 -1.8952 -1.8952 -1.8405 -1.8405
-1.3565 -1.3565 -0.3944 -0.3944 -0.2878 -0.2878 -0.2725 -0.2725
1.8850 1.8850 2.0722 2.0722 2.9904 2.9904 3.2002 3.2002
5.4518 5.4518 5.5545 5.5545 6.0945 6.0945 6.2597 6.2597
6.6085 6.6085 6.9097 6.9097
k = 0.3889 0.4811-0.0000 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5603 -16.5603 -16.5164 -16.5164 -6.0783 -6.0783 -6.0412 -6.0412
-3.0485 -3.0485 -3.0250 -3.0250 -2.9377 -2.9377 -2.9129 -2.9129
-2.7127 -2.7127 -2.6827 -2.6827 -2.6093 -2.6093 -2.5590 -2.5590
-2.5089 -2.5089 -2.4493 -2.4493 -1.8932 -1.8932 -1.8378 -1.8378
-1.3722 -1.3722 -0.3852 -0.3852 -0.2907 -0.2907 -0.2767 -0.2767
1.8969 1.8969 2.0605 2.0605 2.9488 2.9488 3.1863 3.1863
5.5363 5.5363 5.6152 5.6152 6.0847 6.0847 6.2802 6.2802
6.5984 6.5984 6.9032 6.9032
k = 0.3810 0.4949-0.0000 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3280 -19.3280
-16.5575 -16.5575 -16.5191 -16.5191 -6.0755 -6.0755 -6.0431 -6.0431
-3.0480 -3.0480 -3.0247 -3.0247 -2.9377 -2.9377 -2.9132 -2.9132
-2.7104 -2.7104 -2.6830 -2.6830 -2.6105 -2.6105 -2.5567 -2.5567
-2.5095 -2.5095 -2.4473 -2.4473 -1.8906 -1.8906 -1.8360 -1.8360
-1.3868 -1.3868 -0.3762 -0.3762 -0.2938 -0.2938 -0.2808 -0.2808
1.9089 1.9089 2.0483 2.0483 2.9124 2.9124 3.1741 3.1741
5.6128 5.6128 5.6734 5.6734 6.0786 6.0786 6.2942 6.2942
6.5865 6.5865 6.8754 6.8754
k = 0.3730 0.5086-0.0000 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3280 -19.3280
-16.5546 -16.5546 -16.5219 -16.5219 -6.0727 -6.0727 -6.0452 -6.0452
-3.0477 -3.0477 -3.0244 -3.0244 -2.9376 -2.9376 -2.9135 -2.9135
-2.7084 -2.7084 -2.6832 -2.6832 -2.6116 -2.6116 -2.5546 -2.5546
-2.5100 -2.5100 -2.4454 -2.4454 -1.8873 -1.8873 -1.8354 -1.8354
-1.3999 -1.3999 -0.3674 -0.3674 -0.2971 -0.2971 -0.2848 -0.2848
1.9207 1.9207 2.0360 2.0360 2.8815 2.8815 3.1637 3.1637
5.6799 5.6799 5.7271 5.7271 6.0778 6.0778 6.3008 6.3008
6.5674 6.5674 6.8624 6.8624
k = 0.3651 0.5224-0.0000 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3280 -19.3280
-16.5516 -16.5516 -16.5249 -16.5249 -6.0698 -6.0698 -6.0474 -6.0474
-3.0473 -3.0473 -3.0242 -3.0242 -2.9375 -2.9375 -2.9136 -2.9136
-2.7066 -2.7066 -2.6833 -2.6833 -2.6126 -2.6126 -2.5528 -2.5528
-2.5102 -2.5102 -2.4439 -2.4439 -1.8833 -1.8833 -1.8362 -1.8362
-1.4111 -1.4111 -0.3589 -0.3589 -0.3009 -0.3009 -0.2881 -0.2881
1.9324 1.9324 2.0236 2.0236 2.8561 2.8561 3.1552 3.1552
5.7365 5.7365 5.7736 5.7736 6.0845 6.0845 6.3003 6.3003
6.5381 6.5381 6.8666 6.8666
k = 0.3571 0.5361-0.0000 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5485 -16.5485 -16.5281 -16.5281 -6.0668 -6.0668 -6.0498 -6.0498
-3.0471 -3.0471 -3.0240 -3.0240 -2.9374 -2.9374 -2.9138 -2.9138
-2.7052 -2.7052 -2.6833 -2.6833 -2.6134 -2.6134 -2.5513 -2.5513
-2.5104 -2.5104 -2.4425 -2.4425 -1.8784 -1.8784 -1.8387 -1.8387
-1.4202 -1.4202 -0.3508 -0.3508 -0.3055 -0.3055 -0.2906 -0.2906
1.9437 1.9437 2.0115 2.0115 2.8364 2.8364 3.1486 3.1486
5.7810 5.7810 5.8102 5.8102 6.1013 6.1013 6.2935 6.2935
6.5013 6.5013 6.8834 6.8834
k = 0.3492 0.5499-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5452 -16.5452 -16.5313 -16.5313 -6.0639 -6.0639 -6.0523 -6.0523
-3.0469 -3.0469 -3.0238 -3.0238 -2.9373 -2.9373 -2.9139 -2.9139
-2.7042 -2.7042 -2.6832 -2.6832 -2.6140 -2.6140 -2.5503 -2.5503
-2.5104 -2.5104 -2.4416 -2.4416 -1.8728 -1.8728 -1.8428 -1.8428
-1.4268 -1.4268 -0.3433 -0.3433 -0.3106 -0.3106 -0.2922 -0.2922
1.9547 1.9547 1.9997 1.9997 2.8224 2.8224 3.1439 3.1439
5.8120 5.8120 5.8355 5.8355 6.1293 6.1293 6.2792 6.2792
6.4648 6.4648 6.9049 6.9049
k = 0.3413 0.5636-0.0000 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5418 -16.5418 -16.5347 -16.5347 -6.0609 -6.0609 -6.0550 -6.0550
-3.0468 -3.0468 -3.0237 -3.0237 -2.9372 -2.9372 -2.9140 -2.9140
-2.7036 -2.7036 -2.6831 -2.6831 -2.6143 -2.6143 -2.5497 -2.5497
-2.5104 -2.5104 -2.4409 -2.4409 -1.8664 -1.8664 -1.8484 -1.8484
-1.4308 -1.4308 -0.3371 -0.3371 -0.3154 -0.3154 -0.2932 -0.2932
1.9649 1.9649 1.9887 1.9887 2.8141 2.8141 3.1411 3.1411
5.8290 5.8290 5.8503 5.8503 6.1672 6.1672 6.2536 6.2536
6.4387 6.4387 6.9235 6.9236
k = 0.3333 0.5774-0.0000 ( 6525 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0581 -6.0581 -6.0577 -6.0577
-3.0468 -3.0468 -3.0237 -3.0237 -2.9372 -2.9372 -2.9140 -2.9140
-2.7034 -2.7034 -2.6831 -2.6831 -2.6145 -2.6145 -2.5495 -2.5495
-2.5103 -2.5103 -2.4407 -2.4407 -1.8618 -1.8618 -1.8529 -1.8529
-1.4321 -1.4321 -0.3342 -0.3342 -0.3178 -0.3178 -0.2935 -0.2935
1.9715 1.9715 1.9818 1.9818 2.8114 2.8114 3.1402 3.1402
5.8340 5.8340 5.8551 5.8551 6.2063 6.2063 6.2190 6.2190
6.4298 6.4298 6.9328 6.9328
k = 0.3333 0.5774-0.0000 ( 6525 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0581 -6.0581 -6.0577 -6.0577
-3.0468 -3.0468 -3.0237 -3.0237 -2.9372 -2.9372 -2.9140 -2.9140
-2.7034 -2.7034 -2.6831 -2.6831 -2.6145 -2.6145 -2.5495 -2.5495
-2.5103 -2.5103 -2.4407 -2.4407 -1.8618 -1.8618 -1.8529 -1.8529
-1.4321 -1.4321 -0.3342 -0.3342 -0.3178 -0.3178 -0.2935 -0.2935
1.9715 1.9715 1.9818 1.9818 2.8114 2.8114 3.1402 3.1402
5.8340 5.8340 5.8551 5.8551 6.2063 6.2063 6.2190 6.2190
6.4298 6.4298 6.9332 6.9356
k = 0.3252 0.5633-0.0000 ( 6527 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5420 -16.5420 -16.5345 -16.5345 -6.0610 -6.0610 -6.0549 -6.0549
-3.0468 -3.0468 -3.0237 -3.0237 -2.9373 -2.9373 -2.9140 -2.9140
-2.7036 -2.7036 -2.6831 -2.6831 -2.6143 -2.6143 -2.5497 -2.5497
-2.5104 -2.5104 -2.4410 -2.4410 -1.8677 -1.8677 -1.8470 -1.8470
-1.4308 -1.4308 -0.3372 -0.3372 -0.3153 -0.3153 -0.2932 -0.2932
1.9652 1.9652 1.9886 1.9886 2.8141 2.8141 3.1412 3.1412
5.8295 5.8295 5.8506 5.8506 6.1587 6.1587 6.2627 6.2627
6.4376 6.4376 6.9282 6.9284
k = 0.3171 0.5492-0.0000 ( 6533 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5458 -16.5458 -16.5308 -16.5308 -6.0643 -6.0643 -6.0519 -6.0519
-3.0469 -3.0469 -3.0238 -3.0238 -2.9374 -2.9374 -2.9139 -2.9139
-2.7042 -2.7042 -2.6834 -2.6834 -2.6139 -2.6139 -2.5503 -2.5503
-2.5107 -2.5107 -2.4417 -2.4417 -1.8777 -1.8777 -1.8370 -1.8370
-1.4269 -1.4269 -0.3435 -0.3435 -0.3105 -0.3105 -0.2922 -0.2922
1.9564 1.9564 1.9988 1.9988 2.8223 2.8223 3.1440 3.1440
5.8159 5.8159 5.8394 5.8394 6.0988 6.0988 6.3130 6.3130
6.4575 6.4575 6.9177 6.9178
k = 0.3089 0.5351-0.0000 ( 6547 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5497 -16.5497 -16.5269 -16.5269 -6.0678 -6.0678 -6.0490 -6.0490
-3.0471 -3.0471 -3.0241 -3.0241 -2.9376 -2.9376 -2.9139 -2.9139
-2.7052 -2.7052 -2.6838 -2.6838 -2.6132 -2.6132 -2.5512 -2.5512
-2.5112 -2.5112 -2.4431 -2.4431 -1.8888 -1.8888 -1.8253 -1.8253
-1.4207 -1.4207 -0.3510 -0.3510 -0.3054 -0.3054 -0.2906 -0.2906
1.9485 1.9485 2.0098 2.0098 2.8356 2.8356 3.1487 3.1487
5.7919 5.7919 5.8255 5.8255 6.0364 6.0364 6.3621 6.3621
6.4851 6.4851 6.8902 6.8909
k = 0.3008 0.5210-0.0000 ( 6545 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3281 -19.3281
-16.5537 -16.5537 -16.5229 -16.5229 -6.0714 -6.0714 -6.0462 -6.0462
-3.0473 -3.0473 -3.0243 -3.0243 -2.9379 -2.9379 -2.9138 -2.9138
-2.7066 -2.7066 -2.6843 -2.6843 -2.6123 -2.6123 -2.5525 -2.5525
-2.5121 -2.5121 -2.4451 -2.4451 -1.9001 -1.9001 -1.8123 -1.8123
-1.4124 -1.4124 -0.3590 -0.3590 -0.3009 -0.3009 -0.2882 -0.2882
1.9419 1.9419 2.0214 2.0214 2.8536 2.8536 3.1551 3.1551
5.7581 5.7581 5.8102 5.8102 5.9748 5.9748 6.4078 6.4078
6.5175 6.5175 6.8498 6.8498
k = 0.2927 0.5069-0.0000 ( 6549 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3280 -19.3280
-16.5577 -16.5577 -16.5189 -16.5189 -6.0752 -6.0752 -6.0435 -6.0435
-3.0475 -3.0475 -3.0247 -3.0247 -2.9383 -2.9383 -2.9138 -2.9138
-2.7084 -2.7084 -2.6850 -2.6850 -2.6111 -2.6111 -2.5540 -2.5540
-2.5133 -2.5133 -2.4477 -2.4477 -1.9114 -1.9114 -1.7979 -1.7979
-1.4025 -1.4025 -0.3675 -0.3675 -0.2971 -0.2971 -0.2851 -0.2851
1.9367 1.9367 2.0339 2.0339 2.8758 2.8758 3.1633 3.1633
5.7156 5.7156 5.7932 5.7932 5.9161 5.9161 6.4483 6.4483
6.5523 6.5523 6.7992 6.7992
k = 0.2846 0.4929-0.0000 ( 6549 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3280 -19.3280
-16.5618 -16.5618 -16.5148 -16.5148 -6.0792 -6.0792 -6.0410 -6.0410
-3.0478 -3.0478 -3.0252 -3.0252 -2.9389 -2.9389 -2.9138 -2.9138
-2.7106 -2.7106 -2.6858 -2.6858 -2.6097 -2.6097 -2.5557 -2.5557
-2.5150 -2.5150 -2.4510 -2.4510 -1.9220 -1.9220 -1.7821 -1.7821
-1.3910 -1.3910 -0.3762 -0.3762 -0.2939 -0.2939 -0.2815 -0.2815
1.9331 1.9331 2.0475 2.0475 2.9020 2.9020 3.1732 3.1732
5.6655 5.6655 5.7740 5.7740 5.8618 5.8618 6.4818 6.4818
6.5870 6.5870 6.7418 6.7418
k = 0.2764 0.4788-0.0000 ( 6553 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5660 -16.5660 -16.5107 -16.5107 -6.0833 -6.0833 -6.0385 -6.0385
-3.0481 -3.0481 -3.0258 -3.0258 -2.9396 -2.9396 -2.9138 -2.9138
-2.7132 -2.7132 -2.6867 -2.6867 -2.6082 -2.6082 -2.5577 -2.5577
-2.5171 -2.5171 -2.4551 -2.4551 -1.9317 -1.9317 -1.7651 -1.7651
-1.3783 -1.3783 -0.3852 -0.3852 -0.2910 -0.2910 -0.2777 -0.2777
1.9312 1.9312 2.0626 2.0626 2.9316 2.9316 3.1847 3.1847
5.6089 5.6089 5.7523 5.7523 5.8125 5.8125 6.5068 6.5068
6.6130 6.6130 6.6875 6.6875
k = 0.2683 0.4647-0.0000 ( 6553 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5702 -16.5702 -16.5066 -16.5066 -6.0875 -6.0875 -6.0363 -6.0363
-3.0485 -3.0485 -3.0265 -3.0265 -2.9404 -2.9404 -2.9139 -2.9139
-2.7163 -2.7163 -2.6876 -2.6876 -2.6066 -2.6066 -2.5599 -2.5599
-2.5197 -2.5197 -2.4598 -2.4598 -1.9402 -1.9402 -1.7468 -1.7468
-1.3645 -1.3645 -0.3944 -0.3944 -0.2882 -0.2882 -0.2740 -0.2740
1.9312 1.9312 2.0793 2.0793 2.9643 2.9643 3.1979 3.1979
5.5472 5.5472 5.7279 5.7279 5.7680 5.7680 6.5229 6.5229
6.5854 6.5854 6.6824 6.6824
k = 0.2602 0.4506-0.0000 ( 6557 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3278 -19.3278
-16.5745 -16.5745 -16.5024 -16.5024 -6.0919 -6.0919 -6.0342 -6.0342
-3.0488 -3.0488 -3.0273 -3.0273 -2.9415 -2.9415 -2.9141 -2.9141
-2.7199 -2.7199 -2.6887 -2.6887 -2.6050 -2.6050 -2.5623 -2.5623
-2.5227 -2.5227 -2.4652 -2.4652 -1.9471 -1.9471 -1.7272 -1.7272
-1.3499 -1.3499 -0.4039 -0.4039 -0.2855 -0.2855 -0.2705 -0.2705
1.9332 1.9332 2.0979 2.0979 2.9996 2.9996 3.2126 3.2126
5.4820 5.4820 5.7004 5.7004 5.7277 5.7277 6.5176 6.5176
6.5327 6.5327 6.7121 6.7121
k = 0.2520 0.4365-0.0000 ( 6557 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3277 -19.3277
-16.5787 -16.5787 -16.4982 -16.4982 -6.0964 -6.0964 -6.0322 -6.0322
-3.0492 -3.0492 -3.0283 -3.0283 -2.9426 -2.9426 -2.9143 -2.9143
-2.7239 -2.7239 -2.6898 -2.6898 -2.6035 -2.6035 -2.5648 -2.5648
-2.5260 -2.5260 -2.4712 -2.4712 -1.9524 -1.9524 -1.7065 -1.7065
-1.3347 -1.3347 -0.4134 -0.4134 -0.2828 -0.2828 -0.2672 -0.2672
1.9372 1.9372 2.1184 2.1184 3.0372 3.0372 3.2288 3.2288
5.4148 5.4148 5.6697 5.6697 5.6908 5.6908 6.4464 6.4464
6.5335 6.5335 6.7447 6.7447
k = 0.2439 0.4225-0.0000 ( 6549 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3297 -19.3297 -19.3276 -19.3276
-16.5830 -16.5830 -16.4940 -16.4940 -6.1010 -6.1010 -6.0305 -6.0305
-3.0495 -3.0495 -3.0294 -3.0294 -2.9439 -2.9439 -2.9147 -2.9147
-2.7284 -2.7284 -2.6910 -2.6910 -2.6019 -2.6019 -2.5675 -2.5675
-2.5295 -2.5295 -2.4777 -2.4777 -1.9559 -1.9559 -1.6847 -1.6847
-1.3189 -1.3189 -0.4232 -0.4232 -0.2801 -0.2801 -0.2642 -0.2642
1.9434 1.9434 2.1412 2.1412 3.0767 3.0767 3.2466 3.2466
5.3466 5.3466 5.6363 5.6363 5.6560 5.6560 6.3731 6.3731
6.5306 6.5306 6.7757 6.7757
k = 0.2358 0.4084-0.0000 ( 6551 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3297 -19.3297 -19.3276 -19.3276
-16.5873 -16.5873 -16.4899 -16.4899 -6.1057 -6.1057 -6.0290 -6.0290
-3.0499 -3.0499 -3.0306 -3.0306 -2.9454 -2.9454 -2.9152 -2.9152
-2.7333 -2.7333 -2.6923 -2.6923 -2.6006 -2.6006 -2.5704 -2.5704
-2.5333 -2.5333 -2.4845 -2.4845 -1.9576 -1.9576 -1.6619 -1.6619
-1.3027 -1.3027 -0.4331 -0.4331 -0.2775 -0.2775 -0.2616 -0.2616
1.9518 1.9518 2.1662 2.1662 3.1177 3.1177 3.2658 3.2658
5.2781 5.2781 5.6006 5.6006 5.6225 5.6225 6.3001 6.3001
6.5248 6.5248 6.8036 6.8036
k = 0.2276 0.3943-0.0000 ( 6551 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3297 -19.3297 -19.3275 -19.3275
-16.5915 -16.5915 -16.4857 -16.4857 -6.1104 -6.1104 -6.0276 -6.0276
-3.0503 -3.0503 -3.0319 -3.0319 -2.9470 -2.9470 -2.9158 -2.9158
-2.7387 -2.7387 -2.6936 -2.6936 -2.5995 -2.5995 -2.5733 -2.5733
-2.5372 -2.5372 -2.4915 -2.4915 -1.9576 -1.9576 -1.6381 -1.6381
-1.2863 -1.2863 -0.4432 -0.4432 -0.2750 -0.2750 -0.2592 -0.2592
1.9625 1.9625 2.1935 2.1935 3.1598 3.1598 3.2864 3.2864
5.2099 5.2099 5.5618 5.5618 5.5907 5.5907 6.2286 6.2286
6.5173 6.5173 6.8272 6.8272
k = 0.2195 0.3802-0.0000 ( 6539 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3297 -19.3297 -19.3274 -19.3274
-16.5957 -16.5957 -16.4816 -16.4816 -6.1152 -6.1152 -6.0265 -6.0265
-3.0506 -3.0506 -3.0334 -3.0334 -2.9488 -2.9488 -2.9165 -2.9165
-2.7446 -2.7446 -2.6950 -2.6950 -2.5988 -2.5988 -2.5761 -2.5761
-2.5410 -2.5410 -2.4986 -2.4986 -1.9560 -1.9560 -1.6134 -1.6134
-1.2697 -1.2697 -0.4534 -0.4534 -0.2726 -0.2726 -0.2571 -0.2571
1.9756 1.9756 2.2233 2.2233 3.2027 3.2027 3.3084 3.3084
5.1423 5.1423 5.5191 5.5191 5.5610 5.5610 6.1595 6.1595
6.5087 6.5087 6.8448 6.8448
k = 0.2114 0.3661-0.0000 ( 6549 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3297 -19.3297 -19.3273 -19.3273
-16.5999 -16.5999 -16.4775 -16.4775 -6.1201 -6.1201 -6.0256 -6.0256
-3.0510 -3.0510 -3.0350 -3.0350 -2.9507 -2.9507 -2.9174 -2.9174
-2.7509 -2.7509 -2.6966 -2.6966 -2.5986 -2.5986 -2.5787 -2.5787
-2.5447 -2.5447 -2.5056 -2.5056 -1.9528 -1.9528 -1.5879 -1.5879
-1.2530 -1.2530 -0.4637 -0.4637 -0.2703 -0.2703 -0.2553 -0.2553
1.9912 1.9912 2.2555 2.2555 3.2459 3.2459 3.3317 3.3317
5.0757 5.0757 5.4726 5.4726 5.5331 5.5331 6.0936 6.0936
6.4995 6.4995 6.8551 6.8551
k = 0.2033 0.3520-0.0000 ( 6545 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3296 -19.3296 -19.3272 -19.3272
-16.6041 -16.6041 -16.4735 -16.4735 -6.1249 -6.1249 -6.0249 -6.0249
-3.0514 -3.0514 -3.0368 -3.0368 -2.9527 -2.9527 -2.9185 -2.9185
-2.7577 -2.7577 -2.6982 -2.6982 -2.5993 -2.5993 -2.5807 -2.5807
-2.5482 -2.5482 -2.5124 -2.5124 -1.9482 -1.9482 -1.5617 -1.5617
-1.2363 -1.2363 -0.4741 -0.4741 -0.2683 -0.2683 -0.2538 -0.2538
2.0092 2.0092 2.2902 2.2902 3.2890 3.2890 3.3564 3.3564
5.0102 5.0102 5.4223 5.4223 5.5066 5.5066 6.0319 6.0319
6.4898 6.4898 6.8564 6.8564
k = 0.1951 0.3380-0.0000 ( 6545 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3296 -19.3296 -19.3271 -19.3271
-16.6082 -16.6082 -16.4696 -16.4696 -6.1298 -6.1298 -6.0244 -6.0244
-3.0519 -3.0519 -3.0387 -3.0387 -2.9549 -2.9549 -2.9197 -2.9197
-2.7648 -2.7648 -2.6998 -2.6998 -2.6009 -2.6009 -2.5820 -2.5820
-2.5515 -2.5515 -2.5190 -2.5190 -1.9423 -1.9423 -1.5348 -1.5348
-1.2197 -1.2197 -0.4847 -0.4847 -0.2665 -0.2665 -0.2525 -0.2525
2.0297 2.0297 2.3275 2.3275 3.3318 3.3318 3.3822 3.3822
4.9460 4.9460 5.3684 5.3684 5.4804 5.4804 5.9756 5.9756
6.4791 6.4791 6.8473 6.8473
k = 0.1870 0.3239-0.0000 ( 6541 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3296 -19.3296 -19.3270 -19.3270
-16.6122 -16.6122 -16.4657 -16.4657 -6.1347 -6.1347 -6.0241 -6.0241
-3.0525 -3.0525 -3.0406 -3.0406 -2.9571 -2.9571 -2.9210 -2.9210
-2.7722 -2.7722 -2.7016 -2.7016 -2.6033 -2.6033 -2.5827 -2.5827
-2.5544 -2.5544 -2.5252 -2.5252 -1.9354 -1.9354 -1.5075 -1.5075
-1.2032 -1.2032 -0.4955 -0.4955 -0.2650 -0.2650 -0.2513 -0.2513
2.0528 2.0528 2.3672 2.3672 3.3737 3.3737 3.4091 3.4091
4.8833 4.8833 5.3111 5.3111 5.4538 5.4538 5.9261 5.9261
6.4671 6.4671 6.8272 6.8272
k = 0.1789 0.3098-0.0000 ( 6535 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3295 -19.3295 -19.3269 -19.3269
-16.6161 -16.6161 -16.4619 -16.4619 -6.1395 -6.1395 -6.0239 -6.0239
-3.0533 -3.0533 -3.0425 -3.0425 -2.9594 -2.9594 -2.9226 -2.9226
-2.7798 -2.7798 -2.7034 -2.7034 -2.6062 -2.6062 -2.5830 -2.5830
-2.5570 -2.5570 -2.5311 -2.5311 -1.9274 -1.9274 -1.4797 -1.4797
-1.1870 -1.1870 -0.5063 -0.5063 -0.2639 -0.2639 -0.2504 -0.2504
2.0785 2.0785 2.4093 2.4093 3.4144 3.4144 3.4372 3.4372
4.8223 4.8223 5.2505 5.2505 5.4254 5.4254 5.8848 5.8848
6.4529 6.4529 6.7969 6.7970
k = 0.1707 0.2957-0.0000 ( 6535 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3295 -19.3295 -19.3268 -19.3268
-16.6200 -16.6200 -16.4582 -16.4582 -6.1443 -6.1443 -6.0240 -6.0240
-3.0545 -3.0545 -3.0443 -3.0443 -2.9617 -2.9617 -2.9243 -2.9243
-2.7875 -2.7875 -2.7052 -2.7052 -2.6093 -2.6093 -2.5832 -2.5832
-2.5593 -2.5593 -2.5366 -2.5366 -1.9187 -1.9187 -1.4515 -1.4515
-1.1710 -1.1710 -0.5173 -0.5173 -0.2630 -0.2630 -0.2496 -0.2496
2.1068 2.1068 2.4540 2.4540 3.4534 3.4534 3.4662 3.4662
4.7630 4.7630 5.1869 5.1869 5.3941 5.3941 5.8533 5.8533
6.4356 6.4356 6.7579 6.7579
k = 0.1626 0.2816-0.0000 ( 6539 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3267 -19.3267
-16.6237 -16.6237 -16.4546 -16.4546 -6.1490 -6.1490 -6.0242 -6.0242
-3.0562 -3.0562 -3.0458 -3.0458 -2.9641 -2.9641 -2.9261 -2.9261
-2.7953 -2.7953 -2.7069 -2.7069 -2.6125 -2.6125 -2.5834 -2.5834
-2.5612 -2.5612 -2.5417 -2.5417 -1.9094 -1.9094 -1.4231 -1.4231
-1.1553 -1.1553 -0.5285 -0.5285 -0.2625 -0.2625 -0.2490 -0.2490
2.1377 2.1377 2.5009 2.5009 3.4903 3.4903 3.4964 3.4964
4.7056 4.7056 5.1205 5.1205 5.3589 5.3589 5.8328 5.8328
6.4144 6.4144 6.7117 6.7117
k = 0.1545 0.2676-0.0000 ( 6535 PWs) bands (ev):
-38.5088 -38.5088 -19.7097 -19.7097 -19.3295 -19.3295 -19.3266 -19.3266
-16.6273 -16.6273 -16.4512 -16.4512 -6.1537 -6.1537 -6.0246 -6.0246
-3.0585 -3.0585 -3.0469 -3.0469 -2.9665 -2.9665 -2.9280 -2.9280
-2.8029 -2.8029 -2.7087 -2.7087 -2.6155 -2.6155 -2.5838 -2.5838
-2.5627 -2.5627 -2.5464 -2.5464 -1.8995 -1.8995 -1.3945 -1.3945
-1.1400 -1.1400 -0.5398 -0.5398 -0.2623 -0.2623 -0.2486 -0.2486
2.1712 2.1712 2.5503 2.5503 3.5242 3.5242 3.5281 3.5281
4.6500 4.6500 5.0515 5.0515 5.3195 5.3195 5.8237 5.8237
6.3888 6.3888 6.6602 6.6602
k = 0.1463 0.2535-0.0000 ( 6539 PWs) bands (ev):
-38.5088 -38.5088 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6308 -16.6308 -16.4478 -16.4478 -6.1582 -6.1582 -6.0251 -6.0251
-3.0613 -3.0613 -3.0476 -3.0476 -2.9689 -2.9689 -2.9301 -2.9301
-2.8104 -2.8104 -2.7104 -2.7104 -2.6184 -2.6184 -2.5846 -2.5846
-2.5640 -2.5640 -2.5506 -2.5506 -1.8893 -1.8893 -1.3658 -1.3658
-1.1252 -1.1252 -0.5513 -0.5513 -0.2623 -0.2623 -0.2484 -0.2484
2.2073 2.2073 2.6018 2.6018 3.5560 3.5560 3.5601 3.5601
4.5966 4.5966 4.9801 4.9801 5.2759 5.2759 5.8260 5.8260
6.3586 6.3586 6.6047 6.6047
k = 0.1382 0.2394-0.0000 ( 6543 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3294 -19.3294 -19.3264 -19.3264
-16.6342 -16.6342 -16.4446 -16.4446 -6.1626 -6.1626 -6.0257 -6.0257
-3.0647 -3.0647 -3.0481 -3.0481 -2.9713 -2.9713 -2.9323 -2.9323
-2.8175 -2.8175 -2.7121 -2.7121 -2.6210 -2.6210 -2.5855 -2.5855
-2.5652 -2.5652 -2.5542 -2.5542 -1.8788 -1.8788 -1.3372 -1.3372
-1.1108 -1.1108 -0.5630 -0.5630 -0.2626 -0.2626 -0.2483 -0.2483
2.2460 2.2460 2.6555 2.6555 3.5869 3.5869 3.5906 3.5906
4.5452 4.5452 4.9066 4.9066 5.2289 5.2289 5.8389 5.8389
6.3242 6.3242 6.5467 6.5467
k = 0.1301 0.2253-0.0000 ( 6545 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3294 -19.3294 -19.3263 -19.3263
-16.6375 -16.6375 -16.4415 -16.4415 -6.1669 -6.1669 -6.0264 -6.0264
-3.0683 -3.0683 -3.0484 -3.0484 -2.9736 -2.9736 -2.9344 -2.9344
-2.8244 -2.8244 -2.7136 -2.7136 -2.6235 -2.6235 -2.5868 -2.5868
-2.5664 -2.5664 -2.5570 -2.5570 -1.8683 -1.8683 -1.3086 -1.3086
-1.0969 -1.0969 -0.5749 -0.5749 -0.2632 -0.2632 -0.2484 -0.2484
2.2873 2.2873 2.7112 2.7112 3.6153 3.6153 3.6212 3.6212
4.4959 4.4959 4.8312 4.8312 5.1791 5.1791 5.8615 5.8615
6.2866 6.2866 6.4872 6.4872
k = 0.1220 0.2112-0.0000 ( 6541 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3262 -19.3262
-16.6406 -16.6406 -16.4386 -16.4386 -6.1710 -6.1710 -6.0272 -6.0272
-3.0723 -3.0723 -3.0485 -3.0485 -2.9759 -2.9759 -2.9366 -2.9366
-2.8308 -2.8308 -2.7151 -2.7151 -2.6258 -2.6258 -2.5881 -2.5881
-2.5680 -2.5680 -2.5589 -2.5589 -1.8578 -1.8578 -1.2802 -1.2802
-1.0835 -1.0835 -0.5869 -0.5869 -0.2639 -0.2639 -0.2487 -0.2487
2.3309 2.3309 2.7689 2.7689 3.6400 3.6400 3.6528 3.6528
4.4488 4.4488 4.7543 4.7543 5.1272 5.1272 5.8927 5.8927
6.2467 6.2467 6.4276 6.4276
k = 0.1138 0.1971-0.0000 ( 6541 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3261 -19.3261
-16.6435 -16.6435 -16.4358 -16.4358 -6.1749 -6.1749 -6.0281 -6.0281
-3.0764 -3.0764 -3.0486 -3.0486 -2.9781 -2.9781 -2.9388 -2.9388
-2.8367 -2.8367 -2.7164 -2.7164 -2.6279 -2.6279 -2.5897 -2.5897
-2.5700 -2.5700 -2.5599 -2.5599 -1.8474 -1.8474 -1.2521 -1.2521
-1.0708 -1.0708 -0.5992 -0.5992 -0.2648 -0.2648 -0.2492 -0.2492
2.3770 2.3770 2.8283 2.8283 3.6616 3.6616 3.6844 3.6844
4.4040 4.4040 4.6761 4.6761 5.0738 5.0738 5.9312 5.9312
6.2055 6.2055 6.3692 6.3692
k = 0.1057 0.1831-0.0000 ( 6545 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3293 -19.3293 -19.3260 -19.3260
-16.6462 -16.6462 -16.4332 -16.4332 -6.1786 -6.1786 -6.0290 -6.0290
-3.0807 -3.0807 -3.0486 -3.0486 -2.9802 -2.9802 -2.9409 -2.9409
-2.8422 -2.8422 -2.7177 -2.7177 -2.6298 -2.6298 -2.5913 -2.5913
-2.5721 -2.5721 -2.5604 -2.5604 -1.8372 -1.8372 -1.2244 -1.2244
-1.0587 -1.0587 -0.6117 -0.6117 -0.2658 -0.2658 -0.2497 -0.2497
2.4253 2.4253 2.8894 2.8894 3.6804 3.6804 3.7158 3.7158
4.3614 4.3614 4.5970 4.5970 5.0194 5.0194 5.9749 5.9749
6.1638 6.1638 6.3141 6.3141
k = 0.0976 0.1690-0.0000 ( 6549 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3293 -19.3293 -19.3259 -19.3259
-16.6488 -16.6488 -16.4307 -16.4307 -6.1821 -6.1821 -6.0300 -6.0300
-3.0850 -3.0850 -3.0485 -3.0485 -2.9822 -2.9822 -2.9429 -2.9429
-2.8473 -2.8473 -2.7188 -2.7188 -2.6316 -2.6316 -2.5929 -2.5929
-2.5742 -2.5742 -2.5605 -2.5605 -1.8274 -1.8274 -1.1972 -1.1972
-1.0473 -1.0473 -0.6244 -0.6244 -0.2669 -0.2669 -0.2505 -0.2505
2.4757 2.4757 2.9518 2.9518 3.6965 3.6965 3.7465 3.7465
4.3210 4.3210 4.5174 4.5174 4.9643 4.9643 6.0198 6.0198
6.1225 6.1225 6.2663 6.2663
k = 0.0894 0.1549-0.0000 ( 6545 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3258 -19.3258
-16.6513 -16.6513 -16.4284 -16.4284 -6.1854 -6.1854 -6.0309 -6.0309
-3.0892 -3.0892 -3.0484 -3.0484 -2.9841 -2.9841 -2.9448 -2.9448
-2.8518 -2.8518 -2.7198 -2.7198 -2.6332 -2.6332 -2.5945 -2.5945
-2.5761 -2.5761 -2.5603 -2.5603 -1.8180 -1.8180 -1.1705 -1.1705
-1.0366 -1.0366 -0.6372 -0.6372 -0.2681 -0.2681 -0.2513 -0.2513
2.5280 2.5280 3.0154 3.0154 3.7101 3.7101 3.7763 3.7763
4.2828 4.2828 4.4376 4.4376 4.9088 4.9088 6.0548 6.0548
6.0823 6.0823 6.2368 6.2368
k = 0.0813 0.1408-0.0000 ( 6549 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3258 -19.3258
-16.6535 -16.6535 -16.4263 -16.4263 -6.1885 -6.1885 -6.0319 -6.0319
-3.0934 -3.0934 -3.0483 -3.0483 -2.9859 -2.9859 -2.9466 -2.9466
-2.8560 -2.8560 -2.7207 -2.7207 -2.6346 -2.6346 -2.5961 -2.5961
-2.5779 -2.5779 -2.5601 -2.5601 -1.8091 -1.8091 -1.1446 -1.1446
-1.0267 -1.0267 -0.6502 -0.6502 -0.2693 -0.2693 -0.2522 -0.2522
2.5819 2.5819 3.0798 3.0798 3.7215 3.7215 3.8047 3.8047
4.2466 4.2466 4.3583 4.3583 4.8533 4.8533 6.0426 6.0426
6.0609 6.0609 6.2459 6.2459
k = 0.0732 0.1267-0.0000 ( 6553 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3257 -19.3257
-16.6555 -16.6555 -16.4244 -16.4244 -6.1913 -6.1913 -6.0328 -6.0328
-3.0974 -3.0974 -3.0481 -3.0481 -2.9875 -2.9875 -2.9483 -2.9483
-2.8596 -2.8596 -2.7215 -2.7215 -2.6360 -2.6360 -2.5975 -2.5975
-2.5794 -2.5794 -2.5599 -2.5599 -1.8008 -1.8008 -1.1196 -1.1196
-1.0175 -1.0175 -0.6634 -0.6634 -0.2705 -0.2705 -0.2531 -0.2531
2.6372 2.6372 3.1447 3.1447 3.7309 3.7309 3.8313 3.8313
4.2124 4.2124 4.2801 4.2801 4.7983 4.7983 6.0058 6.0058
6.0361 6.0361 6.2933 6.2933
k = 0.0650 0.1127-0.0000 ( 6559 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3256 -19.3256
-16.6573 -16.6573 -16.4227 -16.4227 -6.1938 -6.1938 -6.0337 -6.0337
-3.1011 -3.1011 -3.0480 -3.0480 -2.9891 -2.9891 -2.9497 -2.9497
-2.8629 -2.8629 -2.7222 -2.7222 -2.6373 -2.6373 -2.5989 -2.5989
-2.5808 -2.5808 -2.5596 -2.5596 -1.7932 -1.7932 -1.0956 -1.0956
-1.0091 -1.0091 -0.6765 -0.6765 -0.2717 -0.2717 -0.2540 -0.2540
2.6932 2.6932 3.2095 3.2095 3.7385 3.7385 3.8555 3.8555
4.1794 4.1794 4.2044 4.2044 4.7442 4.7442 5.9712 5.9712
6.0009 6.0009 6.3596 6.3596
k = 0.0569 0.0986-0.0000 ( 6555 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3255 -19.3255
-16.6590 -16.6590 -16.4211 -16.4211 -6.1961 -6.1961 -6.0345 -6.0345
-3.1046 -3.1046 -3.0478 -3.0478 -2.9904 -2.9904 -2.9510 -2.9510
-2.8657 -2.8657 -2.7227 -2.7227 -2.6383 -2.6383 -2.6002 -2.6002
-2.5820 -2.5820 -2.5593 -2.5593 -1.7863 -1.7863 -1.0729 -1.0729
-1.0016 -1.0016 -0.6896 -0.6896 -0.2728 -0.2728 -0.2549 -0.2549
2.7495 2.7495 3.2738 3.2738 3.7446 3.7446 3.8761 3.8761
4.1296 4.1296 4.1505 4.1505 4.6920 4.6920 5.9394 5.9394
5.9650 5.9650 6.4346 6.4346
k = 0.0488 0.0845-0.0000 ( 6569 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3255 -19.3255
-16.6604 -16.6604 -16.4198 -16.4198 -6.1981 -6.1981 -6.0352 -6.0352
-3.1077 -3.1077 -3.0477 -3.0477 -2.9916 -2.9916 -2.9522 -2.9522
-2.8682 -2.8682 -2.7232 -2.7232 -2.6393 -2.6393 -2.6013 -2.6013
-2.5830 -2.5830 -2.5591 -2.5591 -1.7803 -1.7803 -1.0518 -1.0518
-0.9948 -0.9948 -0.7024 -0.7024 -0.2739 -0.2739 -0.2558 -0.2558
2.8052 2.8052 3.3367 3.3367 3.7494 3.7494 3.8908 3.8908
4.0641 4.0641 4.1202 4.1202 4.6425 4.6425 5.9105 5.9105
5.9319 5.9319 6.5142 6.5142
k = 0.0407 0.0704-0.0000 ( 6563 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6616 -16.6616 -16.4187 -16.4187 -6.1998 -6.1998 -6.0359 -6.0359
-3.1103 -3.1103 -3.0476 -3.0476 -2.9926 -2.9926 -2.9531 -2.9531
-2.8702 -2.8702 -2.7236 -2.7236 -2.6401 -2.6401 -2.6022 -2.6022
-2.5838 -2.5838 -2.5588 -2.5588 -1.7750 -1.7750 -1.0327 -1.0327
-0.9887 -0.9887 -0.7146 -0.7146 -0.2748 -0.2748 -0.2565 -0.2565
2.8590 2.8590 3.3971 3.3971 3.7531 3.7531 3.8933 3.8933
4.0116 4.0116 4.0917 4.0917 4.5970 4.5970 5.8850 5.8850
5.9032 5.9032 6.5962 6.5962
k = 0.0325 0.0563-0.0000 ( 6571 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6626 -16.6626 -16.4177 -16.4177 -6.2012 -6.2012 -6.0364 -6.0364
-3.1126 -3.1126 -3.0475 -3.0475 -2.9935 -2.9935 -2.9540 -2.9540
-2.8718 -2.8718 -2.7239 -2.7239 -2.6408 -2.6408 -2.6030 -2.6030
-2.5846 -2.5846 -2.5587 -2.5587 -1.7706 -1.7706 -1.0162 -1.0162
-0.9832 -0.9832 -0.7259 -0.7259 -0.2756 -0.2756 -0.2572 -0.2572
2.9094 2.9094 3.4533 3.4533 3.7561 3.7561 3.8728 3.8728
3.9849 3.9849 4.0647 4.0647 4.5568 4.5568 5.8631 5.8631
5.8795 5.8795 6.6785 6.6785
k = 0.0244 0.0422-0.0000 ( 6575 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6634 -16.6634 -16.4170 -16.4170 -6.2023 -6.2023 -6.0368 -6.0368
-3.1144 -3.1144 -3.0474 -3.0474 -2.9941 -2.9941 -2.9546 -2.9546
-2.8731 -2.8731 -2.7242 -2.7242 -2.6414 -2.6414 -2.6036 -2.6036
-2.5851 -2.5851 -2.5585 -2.5585 -1.7672 -1.7672 -1.0031 -1.0031
-0.9780 -0.9780 -0.7357 -0.7357 -0.2763 -0.2763 -0.2577 -0.2577
2.9540 2.9540 3.5032 3.5032 3.7582 3.7582 3.8358 3.8358
3.9789 3.9789 4.0406 4.0406 4.5236 4.5236 5.8455 5.8455
5.8611 5.8611 6.7590 6.7590
k = 0.0163 0.0282-0.0000 ( 6575 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6639 -16.6639 -16.4165 -16.4165 -6.2030 -6.2030 -6.0372 -6.0372
-3.1157 -3.1157 -3.0473 -3.0473 -2.9946 -2.9946 -2.9550 -2.9550
-2.8741 -2.8741 -2.7243 -2.7243 -2.6418 -2.6418 -2.6040 -2.6040
-2.5854 -2.5854 -2.5584 -2.5584 -1.7648 -1.7648 -0.9942 -0.9942
-0.9731 -0.9731 -0.7435 -0.7435 -0.2768 -0.2768 -0.2581 -0.2581
2.9897 2.9897 3.5436 3.5436 3.7590 3.7590 3.8012 3.8012
3.9774 3.9774 4.0222 4.0222 4.4986 4.4986 5.8325 5.8325
5.8481 5.8481 6.8337 6.8337
k = 0.0081 0.0141-0.0000 ( 6575 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6643 -16.6643 -16.4162 -16.4162 -6.2035 -6.2035 -6.0373 -6.0373
-3.1165 -3.1165 -3.0472 -3.0472 -2.9949 -2.9949 -2.9552 -2.9552
-2.8746 -2.8746 -2.7244 -2.7244 -2.6420 -2.6420 -2.6043 -2.6043
-2.5856 -2.5856 -2.5583 -2.5583 -1.7633 -1.7633 -0.9894 -0.9894
-0.9691 -0.9691 -0.7486 -0.7486 -0.2770 -0.2770 -0.2583 -0.2583
3.0132 3.0132 3.5704 3.5704 3.7565 3.7565 3.7805 3.7805
3.9737 3.9737 4.0128 4.0128 4.4831 4.4831 5.8245 5.8245
5.8403 5.8403 6.8945 6.8945
k = 0.0000 0.0000 0.0000 ( 6583 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2037 -6.2037 -6.0374 -6.0374
-3.1168 -3.1168 -3.0472 -3.0472 -2.9950 -2.9950 -2.9553 -2.9553
-2.8748 -2.8748 -2.7244 -2.7244 -2.6421 -2.6421 -2.6044 -2.6044
-2.5857 -2.5857 -2.5583 -2.5583 -1.7628 -1.7628 -0.9879 -0.9879
-0.9676 -0.9676 -0.7504 -0.7504 -0.2772 -0.2772 -0.2584 -0.2584
3.0215 3.0215 3.5799 3.5799 3.7533 3.7533 3.7755 3.7755
3.9712 3.9712 4.0104 4.0104 4.4779 4.4779 5.8218 5.8218
5.8377 5.8377 6.9211 6.9211
k = 0.0000 0.0000 0.0000 ( 6583 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2037 -6.2037 -6.0374 -6.0374
-3.1168 -3.1168 -3.0472 -3.0472 -2.9950 -2.9950 -2.9553 -2.9553
-2.8748 -2.8748 -2.7244 -2.7244 -2.6421 -2.6421 -2.6044 -2.6044
-2.5857 -2.5857 -2.5583 -2.5583 -1.7628 -1.7628 -0.9879 -0.9879
-0.9676 -0.9676 -0.7504 -0.7504 -0.2772 -0.2772 -0.2584 -0.2584
3.0215 3.0215 3.5799 3.5799 3.7533 3.7533 3.7755 3.7755
3.9712 3.9712 4.0104 4.0104 4.4779 4.4779 5.8218 5.8218
5.8377 5.8377 6.9211 6.9211
k = 0.0000 0.0000 0.0161 ( 6583 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2044 -6.2044 -6.0369 -6.0369
-3.1169 -3.1169 -3.0460 -3.0460 -2.9950 -2.9950 -2.9554 -2.9554
-2.8744 -2.8744 -2.7244 -2.7244 -2.6421 -2.6421 -2.6044 -2.6044
-2.5857 -2.5857 -2.5583 -2.5583 -1.7627 -1.7627 -0.9878 -0.9878
-0.9675 -0.9675 -0.7524 -0.7524 -0.2772 -0.2772 -0.2585 -0.2585
3.0188 3.0188 3.5782 3.5782 3.7489 3.7489 3.7715 3.7715
3.9757 3.9757 4.0146 4.0146 4.4843 4.4843 5.8224 5.8224
5.8383 5.8383 6.9219 6.9219
k = 0.0000 0.0000 0.0322 ( 6595 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3292 -19.3292 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2066 -6.2066 -6.0355 -6.0355
-3.1171 -3.1171 -3.0423 -3.0423 -2.9950 -2.9950 -2.9554 -2.9554
-2.8733 -2.8733 -2.7244 -2.7244 -2.6421 -2.6421 -2.6043 -2.6043
-2.5857 -2.5857 -2.5584 -2.5584 -1.7623 -1.7623 -0.9874 -0.9874
-0.9671 -0.9671 -0.7584 -0.7584 -0.2775 -0.2775 -0.2587 -0.2587
3.0109 3.0109 3.5732 3.5732 3.7369 3.7369 3.7602 3.7602
3.9882 3.9882 4.0262 4.0262 4.5034 4.5034 5.8242 5.8242
5.8400 5.8400 6.9243 6.9243
k = 0.0000 0.0000 0.0482 ( 6601 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6644 -16.6644 -16.4161 -16.4161 -6.2102 -6.2102 -6.0332 -6.0332
-3.1175 -3.1175 -3.0364 -3.0364 -2.9950 -2.9950 -2.9555 -2.9555
-2.8713 -2.8713 -2.7243 -2.7243 -2.6420 -2.6420 -2.6041 -2.6041
-2.5857 -2.5857 -2.5586 -2.5586 -1.7616 -1.7616 -0.9868 -0.9868
-0.9665 -0.9665 -0.7684 -0.7684 -0.2779 -0.2779 -0.2591 -0.2591
2.9986 2.9986 3.5647 3.5647 3.7193 3.7193 3.7436 3.7436
4.0064 4.0064 4.0435 4.0435 4.5344 4.5344 5.8271 5.8271
5.8429 5.8429 6.9284 6.9284
k = 0.0000 0.0000 0.0643 ( 6607 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6643 -16.6643 -16.4161 -16.4161 -6.2149 -6.2149 -6.0302 -6.0302
-3.1177 -3.1177 -3.0286 -3.0286 -2.9950 -2.9950 -2.9556 -2.9556
-2.8684 -2.8684 -2.7241 -2.7241 -2.6420 -2.6420 -2.6039 -2.6039
-2.5857 -2.5857 -2.5588 -2.5588 -1.7605 -1.7605 -0.9859 -0.9859
-0.9656 -0.9656 -0.7823 -0.7823 -0.2784 -0.2784 -0.2596 -0.2596
2.9830 2.9830 3.5526 3.5526 3.6983 3.6983 3.7235 3.7235
4.0282 4.0282 4.0644 4.0644 4.5763 4.5763 5.8309 5.8309
5.8466 5.8466 6.9343 6.9343
k = 0.0000 0.0000 0.0804 ( 6619 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6643 -16.6643 -16.4161 -16.4161 -6.2205 -6.2205 -6.0267 -6.0267
-3.1178 -3.1178 -3.0194 -3.0194 -2.9949 -2.9949 -2.9558 -2.9558
-2.8643 -2.8643 -2.7239 -2.7239 -2.6419 -2.6419 -2.6035 -2.6035
-2.5857 -2.5857 -2.5590 -2.5590 -1.7592 -1.7592 -0.9849 -0.9849
-0.9644 -0.9644 -0.7998 -0.7998 -0.2790 -0.2790 -0.2602 -0.2602
2.9654 2.9654 3.5367 3.5367 3.6755 3.6755 3.7014 3.7014
4.0522 4.0522 4.0875 4.0875 4.6277 4.6277 5.8354 5.8354
5.8511 5.8511 6.9424 6.9424
k = 0.0000 0.0000 0.0965 ( 6583 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6643 -16.6643 -16.4161 -16.4161 -6.2269 -6.2269 -6.0228 -6.0228
-3.1177 -3.1177 -3.0093 -3.0093 -2.9948 -2.9948 -2.9559 -2.9559
-2.8589 -2.8589 -2.7234 -2.7234 -2.6416 -2.6416 -2.6030 -2.6030
-2.5856 -2.5856 -2.5592 -2.5592 -1.7574 -1.7574 -0.9836 -0.9836
-0.9631 -0.9631 -0.8207 -0.8207 -0.2798 -0.2798 -0.2609 -0.2609
2.9470 2.9470 3.5173 3.5173 3.6518 3.6518 3.6784 3.6784
4.0771 4.0771 4.1117 4.1117 4.6871 4.6871 5.8406 5.8406
5.8562 5.8562 6.9527 6.9527
k = 0.0000 0.0000 0.1126 ( 6559 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6642 -16.6642 -16.4161 -16.4161 -6.2337 -6.2337 -6.0188 -6.0188
-3.1174 -3.1174 -2.9988 -2.9988 -2.9947 -2.9947 -2.9561 -2.9561
-2.8518 -2.8518 -2.7228 -2.7228 -2.6414 -2.6414 -2.6025 -2.6025
-2.5855 -2.5855 -2.5594 -2.5594 -1.7553 -1.7553 -0.9822 -0.9822
-0.9616 -0.9616 -0.8446 -0.8446 -0.2807 -0.2807 -0.2618 -0.2618
2.9289 2.9289 3.4945 3.4945 3.6281 3.6281 3.6552 3.6552
4.1023 4.1023 4.1364 4.1364 4.7530 4.7530 5.8460 5.8460
5.8616 5.8616 6.9655 6.9656
k = 0.0000 0.0000 0.1286 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6642 -16.6642 -16.4161 -16.4161 -6.2409 -6.2409 -6.0147 -6.0147
-3.1169 -3.1169 -2.9946 -2.9946 -2.9885 -2.9885 -2.9563 -2.9563
-2.8431 -2.8431 -2.7220 -2.7220 -2.6412 -2.6412 -2.6020 -2.6020
-2.5854 -2.5854 -2.5597 -2.5597 -1.7528 -1.7528 -0.9807 -0.9807
-0.9600 -0.9600 -0.8715 -0.8715 -0.2816 -0.2816 -0.2627 -0.2627
2.9122 2.9122 3.4685 3.4685 3.6048 3.6048 3.6324 3.6324
4.1274 4.1274 4.1610 4.1610 4.8236 4.8236 5.8514 5.8514
5.8669 5.8669 6.9847 6.9878
k = 0.0000 0.0000 0.1447 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6642 -16.6642 -16.4162 -16.4162 -6.2481 -6.2481 -6.0107 -6.0107
-3.1163 -3.1163 -2.9946 -2.9946 -2.9790 -2.9790 -2.9565 -2.9565
-2.8326 -2.8326 -2.7208 -2.7208 -2.6411 -2.6411 -2.6013 -2.6013
-2.5853 -2.5853 -2.5600 -2.5600 -1.7500 -1.7500 -0.9790 -0.9790
-0.9583 -0.9583 -0.9007 -0.9007 -0.2826 -0.2826 -0.2637 -0.2637
2.8976 2.8976 3.4397 3.4397 3.5823 3.5823 3.6102 3.6102
4.1518 4.1518 4.1850 4.1850 4.8974 4.8974 5.8565 5.8565
5.8720 5.8720 6.9804 6.9805
k = 0.0000 0.0000 0.1608 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6641 -16.6641 -16.4162 -16.4162 -6.2553 -6.2553 -6.0068 -6.0068
-3.1155 -3.1155 -2.9945 -2.9945 -2.9706 -2.9706 -2.9567 -2.9567
-2.8205 -2.8205 -2.7191 -2.7191 -2.6409 -2.6409 -2.6006 -2.6006
-2.5852 -2.5852 -2.5603 -2.5603 -1.7468 -1.7468 -0.9773 -0.9773
-0.9565 -0.9565 -0.9318 -0.9318 -0.2837 -0.2837 -0.2648 -0.2648
2.8856 2.8856 3.4086 3.4086 3.5608 3.5608 3.5890 3.5890
4.1753 4.1753 4.2082 4.2082 4.9728 4.9728 5.8611 5.8611
5.8766 5.8766 6.9754 6.9754
k = 0.0000 0.0000 0.1769 ( 6554 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6641 -16.6641 -16.4162 -16.4162 -6.2623 -6.2623 -6.0031 -6.0031
-3.1147 -3.1147 -2.9944 -2.9944 -2.9633 -2.9633 -2.9569 -2.9569
-2.8073 -2.8073 -2.7165 -2.7165 -2.6407 -2.6407 -2.5997 -2.5997
-2.5851 -2.5851 -2.5607 -2.5607 -1.7431 -1.7431 -0.9756 -0.9756
-0.9643 -0.9643 -0.9546 -0.9546 -0.2848 -0.2848 -0.2658 -0.2658
2.8768 2.8768 3.3757 3.3757 3.5405 3.5405 3.5690 3.5690
4.1977 4.1977 4.2303 4.2303 5.0483 5.0483 5.8651 5.8651
5.8805 5.8805 6.9736 6.9739
k = 0.0000 0.0000 0.1930 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6640 -16.6640 -16.4162 -16.4162 -6.2690 -6.2690 -5.9998 -5.9998
-3.1138 -3.1138 -2.9944 -2.9944 -2.9574 -2.9574 -2.9571 -2.9571
-2.7940 -2.7940 -2.7128 -2.7128 -2.6405 -2.6405 -2.5987 -2.5987
-2.5849 -2.5849 -2.5610 -2.5610 -1.7391 -1.7391 -0.9975 -0.9975
-0.9739 -0.9739 -0.9528 -0.9528 -0.2858 -0.2858 -0.2669 -0.2669
2.8713 2.8713 3.3414 3.3414 3.5217 3.5217 3.5505 3.5505
4.2187 4.2187 4.2511 4.2511 5.1222 5.1222 5.8682 5.8682
5.8837 5.8837 6.9755 6.9756
k = 0.0000 0.0000 0.2090 ( 6554 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6640 -16.6640 -16.4163 -16.4163 -6.2753 -6.2753 -5.9967 -5.9967
-3.1129 -3.1129 -2.9943 -2.9943 -2.9573 -2.9573 -2.9526 -2.9526
-2.7816 -2.7816 -2.7074 -2.7074 -2.6402 -2.6402 -2.5975 -2.5975
-2.5847 -2.5847 -2.5613 -2.5613 -1.7346 -1.7346 -1.0309 -1.0309
-0.9722 -0.9722 -0.9511 -0.9511 -0.2869 -0.2869 -0.2679 -0.2679
2.8694 2.8694 3.3062 3.3062 3.5046 3.5046 3.5335 3.5335
4.2381 4.2381 4.2703 4.2703 5.1931 5.1931 5.8705 5.8705
5.8860 5.8860 6.9812 6.9812
k = 0.0000 0.0000 0.2251 ( 6554 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6639 -16.6639 -16.4163 -16.4163 -6.2810 -6.2810 -5.9940 -5.9940
-3.1120 -3.1120 -2.9942 -2.9942 -2.9576 -2.9576 -2.9488 -2.9488
-2.7712 -2.7712 -2.7001 -2.7001 -2.6401 -2.6401 -2.5962 -2.5962
-2.5844 -2.5844 -2.5616 -2.5616 -1.7298 -1.7298 -1.0635 -1.0635
-0.9707 -0.9707 -0.9494 -0.9494 -0.2878 -0.2878 -0.2689 -0.2689
2.8709 2.8709 3.2707 3.2707 3.4891 3.4891 3.5182 3.5182
4.2557 4.2557 4.2878 4.2878 5.2596 5.2596 5.8720 5.8720
5.8875 5.8875 6.9906 6.9908
k = 0.0000 0.0000 0.2412 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6639 -16.6639 -16.4163 -16.4163 -6.2862 -6.2862 -5.9916 -5.9916
-3.1112 -3.1112 -2.9942 -2.9942 -2.9578 -2.9578 -2.9458 -2.9458
-2.7633 -2.7633 -2.6911 -2.6911 -2.6399 -2.6399 -2.5946 -2.5946
-2.5840 -2.5840 -2.5619 -2.5619 -1.7248 -1.7248 -1.0947 -1.0947
-0.9692 -0.9692 -0.9479 -0.9479 -0.2887 -0.2887 -0.2698 -0.2698
2.8758 2.8758 3.2356 3.2356 3.4756 3.4756 3.5048 3.5048
4.2714 4.2714 4.3033 4.3033 5.3202 5.3202 5.8728 5.8728
5.8883 5.8883 7.0031 7.0038
k = 0.0000 0.0000 0.2573 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6639 -16.6639 -16.4163 -16.4163 -6.2907 -6.2907 -5.9895 -5.9895
-3.1105 -3.1105 -2.9941 -2.9941 -2.9579 -2.9579 -2.9435 -2.9435
-2.7578 -2.7578 -2.6814 -2.6814 -2.6397 -2.6397 -2.5929 -2.5929
-2.5833 -2.5833 -2.5621 -2.5621 -1.7198 -1.7198 -1.1235 -1.1235
-0.9679 -0.9679 -0.9465 -0.9465 -0.2895 -0.2895 -0.2706 -0.2706
2.8838 2.8838 3.2015 3.2015 3.4639 3.4639 3.4932 3.4932
4.2850 4.2850 4.3168 4.3168 5.3738 5.3738 5.8729 5.8729
5.8885 5.8885 7.0186 7.0188
k = 0.0000 0.0000 0.2734 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6639 -16.6639 -16.4163 -16.4163 -6.2944 -6.2944 -5.9879 -5.9879
-3.1098 -3.1098 -2.9940 -2.9940 -2.9580 -2.9580 -2.9417 -2.9417
-2.7541 -2.7541 -2.6722 -2.6722 -2.6396 -2.6396 -2.5914 -2.5914
-2.5823 -2.5823 -2.5624 -2.5624 -1.7149 -1.7149 -1.1490 -1.1490
-0.9668 -0.9668 -0.9454 -0.9454 -0.2902 -0.2902 -0.2712 -0.2712
2.8942 2.8942 3.1693 3.1693 3.4543 3.4543 3.4837 3.4837
4.2963 4.2963 4.3280 4.3280 5.4192 5.4192 5.8727 5.8727
5.8883 5.8883 7.0361 7.0363
k = 0.0000 0.0000 0.2894 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3292 -19.3292 -19.3253 -19.3253
-16.6638 -16.6638 -16.4163 -16.4163 -6.2974 -6.2974 -5.9866 -5.9866
-3.1093 -3.1093 -2.9940 -2.9940 -2.9581 -2.9581 -2.9404 -2.9404
-2.7517 -2.7517 -2.6643 -2.6643 -2.6395 -2.6395 -2.5901 -2.5901
-2.5810 -2.5810 -2.5625 -2.5625 -1.7106 -1.7106 -1.1701 -1.1701
-0.9660 -0.9660 -0.9444 -0.9444 -0.2908 -0.2908 -0.2718 -0.2718
2.9062 2.9062 3.1401 3.1401 3.4468 3.4468 3.4762 3.4762
4.3052 4.3052 4.3368 4.3368 5.4555 5.4555 5.8723 5.8723
5.8879 5.8879 7.0545 7.0555
k = 0.0000 0.0000 0.3055 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6638 -16.6638 -16.4164 -16.4164 -6.2995 -6.2995 -5.9856 -5.9856
-3.1089 -3.1089 -2.9940 -2.9940 -2.9582 -2.9582 -2.9395 -2.9395
-2.7503 -2.7503 -2.6586 -2.6586 -2.6394 -2.6394 -2.5893 -2.5893
-2.5795 -2.5795 -2.5627 -2.5627 -1.7071 -1.7071 -1.1860 -1.1860
-0.9653 -0.9653 -0.9438 -0.9438 -0.2912 -0.2912 -0.2722 -0.2722
2.9182 2.9182 3.1157 3.1157 3.4413 3.4413 3.4708 3.4708
4.3116 4.3116 4.3432 4.3432 5.4819 5.4819 5.8719 5.8719
5.8875 5.8875 7.0720 7.0779
k = 0.0000 0.0000 0.3216 ( 6554 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3293 -19.3293 -19.3253 -19.3253
-16.6638 -16.6638 -16.4164 -16.4164 -6.3008 -6.3008 -5.9851 -5.9851
-3.1087 -3.1087 -2.9939 -2.9939 -2.9583 -2.9583 -2.9390 -2.9390
-2.7495 -2.7495 -2.6551 -2.6551 -2.6394 -2.6394 -2.5888 -2.5888
-2.5783 -2.5783 -2.5627 -2.5627 -1.7049 -1.7049 -1.1959 -1.1959
-0.9649 -0.9649 -0.9433 -0.9433 -0.2914 -0.2914 -0.2724 -0.2724
2.9276 2.9276 3.0988 3.0988 3.4381 3.4381 3.4675 3.4675
4.3155 4.3155 4.3471 4.3471 5.4980 5.4980 5.8716 5.8716
5.8872 5.8872 7.0854 7.0855
k = 0.0000 0.0000 0.3377 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3293 -19.3293 -19.3253 -19.3253
-16.6638 -16.6638 -16.4164 -16.4164 -6.3012 -6.3012 -5.9849 -5.9849
-3.1086 -3.1086 -2.9939 -2.9939 -2.9583 -2.9583 -2.9388 -2.9388
-2.7492 -2.7492 -2.6539 -2.6539 -2.6393 -2.6393 -2.5887 -2.5887
-2.5779 -2.5779 -2.5628 -2.5628 -1.7041 -1.7041 -1.1993 -1.1993
-0.9648 -0.9648 -0.9432 -0.9432 -0.2915 -0.2915 -0.2725 -0.2725
2.9312 2.9312 3.0927 3.0927 3.4370 3.4370 3.4665 3.4665
4.3168 4.3168 4.3484 4.3484 5.5033 5.5033 5.8715 5.8715
5.8871 5.8871 7.0908 7.0913
k = 0.0000 0.0000 0.3377 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3293 -19.3293 -19.3253 -19.3253
-16.6638 -16.6638 -16.4164 -16.4164 -6.3012 -6.3012 -5.9849 -5.9849
-3.1086 -3.1086 -2.9939 -2.9939 -2.9583 -2.9583 -2.9388 -2.9388
-2.7492 -2.7492 -2.6539 -2.6539 -2.6393 -2.6393 -2.5887 -2.5887
-2.5779 -2.5779 -2.5628 -2.5628 -1.7041 -1.7041 -1.1993 -1.1993
-0.9648 -0.9648 -0.9432 -0.9432 -0.2915 -0.2915 -0.2725 -0.2725
2.9312 2.9312 3.0927 3.0927 3.4370 3.4370 3.4665 3.4665
4.3168 4.3168 4.3484 4.3484 5.5033 5.5033 5.8715 5.8715
5.8871 5.8871 7.0908 7.0911
k = 0.0139 0.0080 0.3377 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6637 -16.6637 -16.4165 -16.4165 -6.3010 -6.3010 -5.9849 -5.9849
-3.1085 -3.1085 -2.9939 -2.9939 -2.9583 -2.9583 -2.9388 -2.9388
-2.7493 -2.7493 -2.6537 -2.6537 -2.6393 -2.6393 -2.5888 -2.5888
-2.5777 -2.5777 -2.5627 -2.5627 -1.7046 -1.7046 -1.2001 -1.2001
-0.9648 -0.9648 -0.9432 -0.9432 -0.2914 -0.2914 -0.2725 -0.2725
2.9266 2.9266 3.0798 3.0798 3.4422 3.4422 3.4744 3.4744
4.3180 4.3180 4.3500 4.3500 5.5040 5.5040 5.8736 5.8736
5.8891 5.8891 7.0813 7.0822
k = 0.0278 0.0160 0.3377 ( 6558 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6634 -16.6634 -16.4168 -16.4168 -6.3003 -6.3003 -5.9850 -5.9850
-3.1082 -3.1082 -2.9936 -2.9936 -2.9584 -2.9584 -2.9385 -2.9385
-2.7494 -2.7494 -2.6532 -2.6532 -2.6391 -2.6391 -2.5890 -2.5890
-2.5770 -2.5770 -2.5624 -2.5624 -1.7059 -1.7059 -1.2023 -1.2023
-0.9650 -0.9650 -0.9432 -0.9432 -0.2912 -0.2912 -0.2723 -0.2723
2.9128 2.9128 3.0459 3.0459 3.4462 3.4462 3.5048 3.5048
4.3187 4.3187 4.3573 4.3573 5.5059 5.5059 5.8796 5.8796
5.8953 5.8953 7.0509 7.0516
k = 0.0417 0.0241 0.3377 ( 6562 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6628 -16.6628 -16.4173 -16.4173 -6.2991 -6.2991 -5.9852 -5.9852
-3.1077 -3.1077 -2.9932 -2.9932 -2.9586 -2.9586 -2.9381 -2.9381
-2.7495 -2.7495 -2.6523 -2.6523 -2.6388 -2.6388 -2.5893 -2.5893
-2.5761 -2.5761 -2.5618 -2.5618 -1.7082 -1.7082 -1.2061 -1.2061
-0.9657 -0.9657 -0.9428 -0.9428 -0.2908 -0.2908 -0.2720 -0.2720
2.8905 2.8905 2.9993 2.9993 3.4457 3.4457 3.5530 3.5530
4.3148 4.3148 4.3737 4.3737 5.5090 5.5090 5.8889 5.8889
5.9062 5.9062 7.0024 7.0025
k = 0.0556 0.0321 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6621 -16.6621 -16.4180 -16.4180 -6.2974 -6.2974 -5.9855 -5.9855
-3.1070 -3.1070 -2.9927 -2.9927 -2.9588 -2.9588 -2.9376 -2.9376
-2.7497 -2.7497 -2.6513 -2.6513 -2.6382 -2.6382 -2.5897 -2.5897
-2.5750 -2.5750 -2.5610 -2.5610 -1.7113 -1.7113 -1.2112 -1.2112
-0.9675 -0.9675 -0.9416 -0.9416 -0.2904 -0.2904 -0.2716 -0.2716
2.8606 2.8606 2.9463 2.9463 3.4430 3.4430 3.6103 3.6103
4.3064 4.3064 4.3985 4.3985 5.5132 5.5132 5.9008 5.9008
5.9220 5.9220 6.9439 6.9439
k = 0.0694 0.0401 0.3377 ( 6574 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6611 -16.6611 -16.4189 -16.4189 -6.2952 -6.2952 -5.9858 -5.9858
-3.1060 -3.1060 -2.9919 -2.9919 -2.9590 -2.9590 -2.9369 -2.9369
-2.7499 -2.7499 -2.6501 -2.6501 -2.6373 -2.6373 -2.5899 -2.5899
-2.5739 -2.5739 -2.5598 -2.5598 -1.7152 -1.7152 -1.2178 -1.2178
-0.9705 -0.9705 -0.9391 -0.9391 -0.2898 -0.2898 -0.2712 -0.2712
2.8240 2.8240 2.8904 2.8904 3.4390 3.4390 3.6722 3.6722
4.2947 4.2947 4.4294 4.4294 5.5184 5.5184 5.9150 5.9150
5.9426 5.9426 6.8828 6.8828
k = 0.0833 0.0481 0.3377 ( 6572 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3255 -19.3255
-16.6600 -16.6600 -16.4200 -16.4200 -6.2926 -6.2926 -5.9862 -5.9862
-3.1049 -3.1049 -2.9910 -2.9910 -2.9593 -2.9593 -2.9361 -2.9361
-2.7501 -2.7501 -2.6491 -2.6491 -2.6360 -2.6360 -2.5900 -2.5900
-2.5728 -2.5728 -2.5581 -2.5581 -1.7199 -1.7199 -1.2257 -1.2257
-0.9748 -0.9748 -0.9355 -0.9355 -0.2893 -0.2893 -0.2706 -0.2706
2.7811 2.7811 2.8342 2.8342 3.4341 3.4341 3.7364 3.7364
4.2803 4.2803 4.4647 4.4647 5.5245 5.5245 5.9313 5.9313
5.9675 5.9675 6.8239 6.8239
k = 0.0972 0.0561 0.3377 ( 6576 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3255 -19.3255
-16.6586 -16.6586 -16.4213 -16.4213 -6.2895 -6.2895 -5.9867 -5.9867
-3.1036 -3.1036 -2.9900 -2.9900 -2.9597 -2.9597 -2.9352 -2.9352
-2.7502 -2.7502 -2.6483 -2.6483 -2.6342 -2.6342 -2.5900 -2.5900
-2.5719 -2.5719 -2.5559 -2.5559 -1.7254 -1.7254 -1.2348 -1.2348
-0.9803 -0.9803 -0.9308 -0.9308 -0.2888 -0.2888 -0.2700 -0.2700
2.7326 2.7326 2.7794 2.7794 3.4284 3.4284 3.8015 3.8015
4.2639 4.2639 4.5030 4.5030 5.5312 5.5312 5.9494 5.9494
5.9960 5.9960 6.7704 6.7704
k = 0.1111 0.0642 0.3377 ( 6576 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3256 -19.3256
-16.6570 -16.6570 -16.4228 -16.4228 -6.2860 -6.2860 -5.9872 -5.9872
-3.1020 -3.1020 -2.9888 -2.9888 -2.9600 -2.9600 -2.9342 -2.9342
-2.7502 -2.7502 -2.6478 -2.6478 -2.6319 -2.6319 -2.5898 -2.5898
-2.5711 -2.5711 -2.5530 -2.5530 -1.7316 -1.7316 -1.2452 -1.2452
-0.9869 -0.9869 -0.9252 -0.9252 -0.2885 -0.2885 -0.2693 -0.2693
2.6790 2.6790 2.7269 2.7269 3.4219 3.4219 3.8665 3.8665
4.2458 4.2458 4.5430 4.5430 5.5383 5.5383 5.9689 5.9689
6.0276 6.0276 6.7247 6.7247
k = 0.1250 0.0722 0.3377 ( 6568 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3257 -19.3257
-16.6552 -16.6552 -16.4244 -16.4244 -6.2821 -6.2821 -5.9879 -5.9879
-3.1003 -3.1003 -2.9875 -2.9875 -2.9604 -2.9604 -2.9331 -2.9331
-2.7501 -2.7501 -2.6475 -2.6475 -2.6293 -2.6293 -2.5894 -2.5894
-2.5706 -2.5706 -2.5497 -2.5497 -1.7384 -1.7384 -1.2567 -1.2567
-0.9942 -0.9942 -0.9188 -0.9188 -0.2884 -0.2884 -0.2685 -0.2685
2.6221 2.6221 2.6764 2.6764 3.4148 3.4148 3.9303 3.9303
4.2263 4.2263 4.5840 4.5840 5.5457 5.5457 5.9891 5.9891
6.0617 6.0617 6.6891 6.6891
k = 0.1389 0.0802 0.3377 ( 6556 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3257 -19.3257
-16.6533 -16.6533 -16.4263 -16.4263 -6.2778 -6.2778 -5.9886 -5.9886
-3.0984 -3.0984 -2.9861 -2.9861 -2.9608 -2.9608 -2.9319 -2.9319
-2.7499 -2.7499 -2.6474 -2.6474 -2.6265 -2.6265 -2.5886 -2.5886
-2.5701 -2.5701 -2.5457 -2.5457 -1.7458 -1.7458 -1.2692 -1.2692
-1.0023 -1.0023 -0.9117 -0.9117 -0.2885 -0.2885 -0.2676 -0.2676
2.5635 2.5635 2.6272 2.6272 3.4071 3.4071 3.9920 3.9920
4.2058 4.2058 4.6251 4.6251 5.5533 5.5533 6.0095 6.0095
6.0977 6.0977 6.6653 6.6653
k = 0.1528 0.0882 0.3377 ( 6562 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3258 -19.3258
-16.6511 -16.6511 -16.4283 -16.4283 -6.2731 -6.2731 -5.9895 -5.9895
-3.0964 -3.0964 -2.9846 -2.9846 -2.9613 -2.9613 -2.9307 -2.9307
-2.7495 -2.7495 -2.6475 -2.6475 -2.6237 -2.6237 -2.5876 -2.5876
-2.5698 -2.5698 -2.5413 -2.5413 -1.7536 -1.7536 -1.2828 -1.2828
-1.0110 -1.0110 -0.9040 -0.9040 -0.2890 -0.2890 -0.2667 -0.2667
2.5045 2.5045 2.5792 2.5792 3.3990 3.3990 4.0505 4.0505
4.1847 4.1847 4.6657 4.6657 5.5610 5.5610 6.0299 6.0299
6.1350 6.1350 6.6547 6.6547
k = 0.1667 0.0962 0.3377 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3294 -19.3294 -19.3259 -19.3259
-16.6488 -16.6488 -16.4305 -16.4305 -6.2681 -6.2681 -5.9905 -5.9905
-3.0941 -3.0941 -2.9830 -2.9830 -2.9618 -2.9618 -2.9294 -2.9294
-2.7489 -2.7489 -2.6476 -2.6476 -2.6210 -2.6210 -2.5861 -2.5861
-2.5695 -2.5695 -2.5364 -2.5364 -1.7619 -1.7619 -1.2974 -1.2974
-1.0202 -1.0202 -0.8957 -0.8957 -0.2899 -0.2899 -0.2658 -0.2658
2.4457 2.4457 2.5323 2.5323 3.3905 3.3905 4.1047 4.1047
4.1632 4.1632 4.7057 4.7057 5.5692 5.5692 6.0501 6.0501
6.1731 6.1731 6.6577 6.6577
k = 0.1806 0.1042 0.3377 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3294 -19.3294 -19.3260 -19.3260
-16.6463 -16.6463 -16.4329 -16.4329 -6.2627 -6.2627 -5.9916 -5.9916
-3.0918 -3.0918 -2.9813 -2.9813 -2.9623 -2.9623 -2.9281 -2.9281
-2.7482 -2.7482 -2.6479 -2.6479 -2.6185 -2.6185 -2.5842 -2.5842
-2.5693 -2.5693 -2.5311 -2.5311 -1.7705 -1.7705 -1.3128 -1.3128
-1.0298 -1.0298 -0.8869 -0.8869 -0.2914 -0.2914 -0.2648 -0.2648
2.3876 2.3876 2.4866 2.4866 3.3818 3.3818 4.1384 4.1384
4.1569 4.1569 4.7449 4.7449 5.5785 5.5785 6.0709 6.0709
6.2115 6.2115 6.6742 6.6742
k = 0.1944 0.1123 0.3377 ( 6562 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3261 -19.3261
-16.6436 -16.6436 -16.4354 -16.4354 -6.2570 -6.2570 -5.9928 -5.9928
-3.0893 -3.0893 -2.9796 -2.9796 -2.9627 -2.9627 -2.9268 -2.9268
-2.7472 -2.7472 -2.6482 -2.6482 -2.6162 -2.6162 -2.5820 -2.5820
-2.5691 -2.5691 -2.5254 -2.5254 -1.7792 -1.7792 -1.3291 -1.3291
-1.0397 -1.0397 -0.8776 -0.8776 -0.2933 -0.2933 -0.2638 -0.2638
2.3306 2.3306 2.4423 2.4423 3.3728 3.3728 4.1180 4.1180
4.1981 4.1981 4.7831 4.7831 5.5894 5.5894 6.0932 6.0932
6.2495 6.2495 6.7028 6.7028
k = 0.2083 0.1203 0.3377 ( 6566 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3262 -19.3262
-16.6408 -16.6408 -16.4381 -16.4381 -6.2510 -6.2510 -5.9942 -5.9942
-3.0866 -3.0866 -2.9780 -2.9780 -2.9631 -2.9631 -2.9254 -2.9254
-2.7461 -2.7461 -2.6485 -2.6485 -2.6142 -2.6142 -2.5794 -2.5794
-2.5688 -2.5688 -2.5194 -2.5194 -1.7881 -1.7881 -1.3463 -1.3463
-1.0499 -1.0499 -0.8678 -0.8678 -0.2958 -0.2958 -0.2629 -0.2629
2.2751 2.2751 2.3996 2.3996 3.3638 3.3638 4.0963 4.0963
4.2336 4.2336 4.8206 4.8206 5.6032 5.6032 6.1179 6.1179
6.2866 6.2866 6.7418 6.7418
k = 0.2222 0.1283 0.3377 ( 6562 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3295 -19.3295 -19.3263 -19.3263
-16.6378 -16.6378 -16.4409 -16.4409 -6.2448 -6.2448 -5.9957 -5.9957
-3.0839 -3.0839 -2.9764 -2.9764 -2.9634 -2.9634 -2.9240 -2.9240
-2.7448 -2.7448 -2.6489 -2.6489 -2.6126 -2.6126 -2.5766 -2.5766
-2.5682 -2.5682 -2.5130 -2.5130 -1.7970 -1.7970 -1.3641 -1.3641
-1.0602 -1.0602 -0.8576 -0.8576 -0.2988 -0.2988 -0.2619 -0.2619
2.2211 2.2211 2.3584 2.3584 3.3547 3.3547 4.0747 4.0747
4.2612 4.2612 4.8574 4.8574 5.6206 5.6206 6.1461 6.1461
6.3226 6.3226 6.7890 6.7890
k = 0.2361 0.1363 0.3377 ( 6566 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3295 -19.3295 -19.3264 -19.3264
-16.6347 -16.6347 -16.4439 -16.4439 -6.2383 -6.2383 -5.9973 -5.9973
-3.0810 -3.0810 -2.9751 -2.9751 -2.9634 -2.9634 -2.9227 -2.9227
-2.7433 -2.7433 -2.6494 -2.6494 -2.6112 -2.6112 -2.5743 -2.5743
-2.5669 -2.5669 -2.5064 -2.5064 -1.8058 -1.8058 -1.3827 -1.3827
-1.0706 -1.0706 -0.8470 -0.8470 -0.3025 -0.3025 -0.2611 -0.2611
2.1690 2.1690 2.3190 2.3190 3.3457 3.3457 4.0534 4.0534
4.2806 4.2806 4.8935 4.8935 5.6428 5.6428 6.1785 6.1785
6.3569 6.3569 6.8419 6.8420
k = 0.2500 0.1443 0.3377 ( 6556 PWs) bands (ev):
-38.5089 -38.5089 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6315 -16.6315 -16.4470 -16.4470 -6.2317 -6.2317 -5.9991 -5.9991
-3.0781 -3.0781 -2.9742 -2.9742 -2.9630 -2.9630 -2.9214 -2.9214
-2.7416 -2.7416 -2.6499 -2.6499 -2.6099 -2.6099 -2.5728 -2.5728
-2.5644 -2.5644 -2.4996 -2.4996 -1.8143 -1.8143 -1.4019 -1.4019
-1.0810 -1.0810 -0.8360 -0.8360 -0.3068 -0.3068 -0.2603 -0.2603
2.1190 2.1190 2.2814 2.2814 3.3368 3.3368 4.0328 4.0328
4.2916 4.2916 4.9288 4.9288 5.6703 5.6703 6.2155 6.2155
6.3893 6.3893 6.8980 6.8980
k = 0.2639 0.1524 0.3377 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6282 -16.6282 -16.4502 -16.4502 -6.2249 -6.2249 -6.0011 -6.0011
-3.0750 -3.0750 -2.9737 -2.9737 -2.9620 -2.9620 -2.9200 -2.9200
-2.7397 -2.7397 -2.6504 -2.6504 -2.6088 -2.6088 -2.5721 -2.5721
-2.5607 -2.5607 -2.4927 -2.4927 -1.8223 -1.8223 -1.4217 -1.4217
-1.0912 -1.0912 -0.8246 -0.8246 -0.3117 -0.3117 -0.2597 -0.2597
2.0711 2.0711 2.2457 2.2457 3.3281 3.3281 4.0127 4.0127
4.2950 4.2950 4.9631 4.9631 5.7033 5.7033 6.2573 6.2573
6.4197 6.4197 6.9532 6.9532
k = 0.2778 0.1604 0.3377 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3266 -19.3266
-16.6247 -16.6247 -16.4535 -16.4535 -6.2179 -6.2179 -6.0032 -6.0032
-3.0720 -3.0720 -2.9738 -2.9738 -2.9606 -2.9606 -2.9188 -2.9188
-2.7378 -2.7378 -2.6510 -2.6510 -2.6079 -2.6079 -2.5720 -2.5720
-2.5564 -2.5564 -2.4859 -2.4859 -1.8299 -1.8299 -1.4420 -1.4420
-1.1013 -1.1013 -0.8130 -0.8130 -0.3172 -0.3172 -0.2591 -0.2591
2.0256 2.0256 2.2119 2.2119 3.3196 3.3196 3.9935 3.9935
4.2915 4.2915 4.9964 4.9964 5.7416 5.7416 6.3038 6.3038
6.4478 6.4478 6.9965 6.9965
k = 0.2917 0.1684 0.3377 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3267 -19.3267
-16.6212 -16.6212 -16.4568 -16.4568 -6.2109 -6.2109 -6.0055 -6.0055
-3.0690 -3.0690 -2.9743 -2.9743 -2.9588 -2.9588 -2.9176 -2.9176
-2.7357 -2.7357 -2.6517 -2.6517 -2.6071 -2.6071 -2.5721 -2.5721
-2.5517 -2.5517 -2.4791 -2.4791 -1.8368 -1.8368 -1.4628 -1.4628
-1.1112 -1.1112 -0.8011 -0.8011 -0.3233 -0.3233 -0.2587 -0.2587
1.9825 1.9825 2.1801 2.1801 3.3115 3.3115 3.9750 3.9750
4.2823 4.2823 5.0283 5.0283 5.7849 5.7849 6.3550 6.3550
6.4737 6.4737 7.0071 7.0071
k = 0.3056 0.1764 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3296 -19.3296 -19.3268 -19.3268
-16.6176 -16.6176 -16.4603 -16.4603 -6.2038 -6.2038 -6.0079 -6.0079
-3.0659 -3.0659 -2.9751 -2.9751 -2.9568 -2.9568 -2.9164 -2.9164
-2.7335 -2.7335 -2.6525 -2.6525 -2.6063 -2.6063 -2.5723 -2.5723
-2.5467 -2.5467 -2.4726 -2.4726 -1.8429 -1.8429 -1.4840 -1.4840
-1.1208 -1.1208 -0.7890 -0.7890 -0.3299 -0.3299 -0.2583 -0.2583
1.9420 1.9420 2.1503 2.1503 3.3037 3.3037 3.9575 3.9575
4.2686 4.2686 5.0589 5.0589 5.8324 5.8324 6.4104 6.4104
6.4975 6.4975 6.9976 6.9976
k = 0.3194 0.1844 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3296 -19.3296 -19.3269 -19.3269
-16.6140 -16.6140 -16.4638 -16.4638 -6.1967 -6.1967 -6.0105 -6.0105
-3.0629 -3.0629 -2.9761 -2.9761 -2.9547 -2.9547 -2.9154 -2.9154
-2.7312 -2.7312 -2.6533 -2.6533 -2.6055 -2.6055 -2.5726 -2.5726
-2.5416 -2.5416 -2.4664 -2.4664 -1.8480 -1.8480 -1.5055 -1.5055
-1.1300 -1.1300 -0.7768 -0.7768 -0.3371 -0.3371 -0.2580 -0.2580
1.9041 1.9041 2.1225 2.1225 3.2962 3.2962 3.9410 3.9410
4.2514 4.2514 5.0879 5.0879 5.8834 5.8834 6.4698 6.4698
6.5192 6.5192 6.9822 6.9822
k = 0.3333 0.1925 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3297 -19.3297 -19.3270 -19.3270
-16.6103 -16.6103 -16.4673 -16.4673 -6.1897 -6.1897 -6.0132 -6.0132
-3.0599 -3.0599 -2.9771 -2.9771 -2.9525 -2.9525 -2.9144 -2.9144
-2.7289 -2.7289 -2.6542 -2.6542 -2.6047 -2.6047 -2.5729 -2.5729
-2.5362 -2.5362 -2.4606 -2.4606 -1.8519 -1.8519 -1.5272 -1.5272
-1.1387 -1.1387 -0.7645 -0.7645 -0.3448 -0.3448 -0.2579 -0.2579
1.8689 1.8689 2.0967 2.0967 3.2892 3.2892 3.9255 3.9255
4.2320 4.2320 5.1153 5.1153 5.9371 5.9371 6.5314 6.5314
6.5397 6.5397 6.9641 6.9642
k = 0.3472 0.2005 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3297 -19.3297 -19.3271 -19.3271
-16.6066 -16.6066 -16.4709 -16.4709 -6.1827 -6.1827 -6.0160 -6.0160
-3.0570 -3.0570 -2.9783 -2.9783 -2.9502 -2.9502 -2.9135 -2.9135
-2.7265 -2.7265 -2.6552 -2.6552 -2.6040 -2.6040 -2.5733 -2.5733
-2.5308 -2.5308 -2.4553 -2.4553 -1.8546 -1.8546 -1.5490 -1.5490
-1.1470 -1.1470 -0.7521 -0.7521 -0.3528 -0.3528 -0.2578 -0.2578
1.8365 1.8365 2.0730 2.0730 3.2827 3.2827 3.9110 3.9110
4.2113 4.2113 5.1411 5.1411 5.9927 5.9927 6.5564 6.5564
6.5972 6.5972 6.9444 6.9444
k = 0.3611 0.2085 0.3377 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3297 -19.3297 -19.3271 -19.3271
-16.6030 -16.6030 -16.4744 -16.4744 -6.1759 -6.1759 -6.0190 -6.0190
-3.0542 -3.0542 -2.9794 -2.9794 -2.9480 -2.9480 -2.9127 -2.9127
-2.7241 -2.7241 -2.6562 -2.6562 -2.6032 -2.6032 -2.5738 -2.5738
-2.5253 -2.5253 -2.4506 -2.4506 -1.8559 -1.8559 -1.5709 -1.5709
-1.1548 -1.1548 -0.7398 -0.7398 -0.3612 -0.3612 -0.2577 -0.2577
1.8068 1.8068 2.0514 2.0514 3.2767 3.2767 3.8977 3.8977
4.1900 4.1900 5.1653 5.1653 6.0496 6.0496 6.5725 6.5725
6.6621 6.6621 6.9237 6.9237
k = 0.3750 0.2165 0.3377 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3297 -19.3297 -19.3272 -19.3272
-16.5995 -16.5995 -16.4778 -16.4778 -6.1692 -6.1692 -6.0220 -6.0220
-3.0516 -3.0516 -2.9806 -2.9806 -2.9458 -2.9458 -2.9120 -2.9120
-2.7217 -2.7217 -2.6573 -2.6573 -2.6024 -2.6024 -2.5742 -2.5742
-2.5197 -2.5197 -2.4466 -2.4466 -1.8557 -1.8557 -1.5927 -1.5927
-1.1619 -1.1619 -0.7277 -0.7277 -0.3698 -0.3698 -0.2578 -0.2578
1.7800 1.7800 2.0318 2.0318 3.2712 3.2712 3.8856 3.8856
4.1690 4.1690 5.1877 5.1877 6.1072 6.1072 6.5869 6.5869
6.7255 6.7255 6.9028 6.9028
k = 0.3889 0.2245 0.3377 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3298 -19.3298 -19.3272 -19.3272
-16.5960 -16.5960 -16.4812 -16.4812 -6.1629 -6.1629 -6.0250 -6.0250
-3.0491 -3.0491 -2.9818 -2.9818 -2.9438 -2.9438 -2.9114 -2.9114
-2.7194 -2.7194 -2.6584 -2.6584 -2.6016 -2.6016 -2.5747 -2.5747
-2.5143 -2.5143 -2.4434 -2.4434 -1.8539 -1.8539 -1.6143 -1.6143
-1.1685 -1.1685 -0.7159 -0.7159 -0.3785 -0.3785 -0.2578 -0.2578
1.7559 1.7559 2.0142 2.0142 3.2662 3.2662 3.8747 3.8747
4.1489 4.1489 5.2082 5.2082 6.1650 6.1650 6.5997 6.5997
6.7836 6.7836 6.8831 6.8831
k = 0.4028 0.2325 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3298 -19.3298 -19.3273 -19.3273
-16.5927 -16.5927 -16.4843 -16.4843 -6.1568 -6.1568 -6.0281 -6.0281
-3.0467 -3.0467 -2.9830 -2.9830 -2.9418 -2.9418 -2.9109 -2.9109
-2.7172 -2.7172 -2.6596 -2.6596 -2.6009 -2.6009 -2.5752 -2.5752
-2.5089 -2.5089 -2.4408 -2.4408 -1.8505 -1.8505 -1.6357 -1.6357
-1.1744 -1.1744 -0.7047 -0.7047 -0.3871 -0.3871 -0.2579 -0.2579
1.7347 1.7347 1.9988 1.9988 3.2617 3.2617 3.8650 3.8650
4.1300 4.1300 5.2269 5.2269 6.2223 6.2223 6.6109 6.6109
6.8283 6.8283 6.8697 6.8697
k = 0.4167 0.2406 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3299 -19.3299 -19.3273 -19.3273
-16.5897 -16.5897 -16.4873 -16.4873 -6.1512 -6.1512 -6.0311 -6.0311
-3.0446 -3.0446 -2.9841 -2.9841 -2.9401 -2.9401 -2.9105 -2.9105
-2.7151 -2.7151 -2.6607 -2.6607 -2.6001 -2.6001 -2.5757 -2.5757
-2.5038 -2.5038 -2.4391 -2.4391 -1.8455 -1.8455 -1.6565 -1.6565
-1.1795 -1.1795 -0.6940 -0.6940 -0.3954 -0.3954 -0.2580 -0.2580
1.7164 1.7164 1.9854 1.9854 3.2579 3.2579 3.8565 3.8565
4.1130 4.1130 5.2434 5.2434 6.2787 6.2787 6.6206 6.6206
6.8337 6.8337 6.8848 6.8848
k = 0.4306 0.2486 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3299 -19.3299 -19.3273 -19.3273
-16.5869 -16.5869 -16.4901 -16.4901 -6.1461 -6.1461 -6.0339 -6.0339
-3.0427 -3.0427 -2.9851 -2.9851 -2.9385 -2.9385 -2.9102 -2.9102
-2.7132 -2.7132 -2.6618 -2.6618 -2.5994 -2.5994 -2.5761 -2.5761
-2.4990 -2.4990 -2.4380 -2.4380 -1.8389 -1.8389 -1.6767 -1.6767
-1.1839 -1.1839 -0.6843 -0.6843 -0.4031 -0.4031 -0.2582 -0.2582
1.7009 1.7009 1.9741 1.9741 3.2546 3.2546 3.8493 3.8493
4.0980 4.0980 5.2578 5.2578 6.3332 6.3332 6.6288 6.6288
6.8210 6.8210 6.9037 6.9037
k = 0.4444 0.2566 0.3377 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5844 -16.5844 -16.4925 -16.4925 -6.1417 -6.1417 -6.0365 -6.0365
-3.0412 -3.0412 -2.9859 -2.9859 -2.9371 -2.9371 -2.9100 -2.9100
-2.7116 -2.7116 -2.6629 -2.6629 -2.5988 -2.5988 -2.5766 -2.5766
-2.4946 -2.4946 -2.4374 -2.4374 -1.8308 -1.8308 -1.6959 -1.6959
-1.1876 -1.1876 -0.6758 -0.6758 -0.4101 -0.4101 -0.2583 -0.2583
1.6882 1.6882 1.9648 1.9648 3.2519 3.2519 3.8434 3.8434
4.0855 4.0855 5.2698 5.2698 6.3846 6.3846 6.6355 6.6355
6.8093 6.8093 6.9061 6.9061
k = 0.4583 0.2646 0.3377 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5824 -16.5824 -16.4944 -16.4944 -6.1380 -6.1380 -6.0386 -6.0386
-3.0399 -3.0399 -2.9867 -2.9867 -2.9360 -2.9360 -2.9099 -2.9099
-2.7102 -2.7102 -2.6637 -2.6637 -2.5983 -2.5983 -2.5770 -2.5770
-2.4909 -2.4909 -2.4373 -2.4373 -1.8216 -1.8216 -1.7139 -1.7139
-1.1904 -1.1904 -0.6687 -0.6687 -0.4160 -0.4160 -0.2584 -0.2584
1.6783 1.6783 1.9576 1.9576 3.2498 3.2498 3.8388 3.8388
4.0755 4.0755 5.2793 5.2793 6.4309 6.4309 6.6407 6.6407
6.8015 6.8015 6.8925 6.8925
k = 0.4722 0.2726 0.3377 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5809 -16.5809 -16.4959 -16.4959 -6.1352 -6.1352 -6.0403 -6.0403
-3.0389 -3.0389 -2.9872 -2.9872 -2.9352 -2.9352 -2.9098 -2.9098
-2.7092 -2.7092 -2.6644 -2.6644 -2.5979 -2.5979 -2.5773 -2.5773
-2.4880 -2.4880 -2.4375 -2.4375 -1.8120 -1.8120 -1.7299 -1.7299
-1.1925 -1.1925 -0.6633 -0.6633 -0.4205 -0.4205 -0.2584 -0.2584
1.6713 1.6713 1.9524 1.9524 3.2482 3.2482 3.8355 3.8355
4.0682 4.0682 5.2862 5.2862 6.4691 6.4691 6.6445 6.6445
6.7992 6.7992 6.8694 6.8694
k = 0.4861 0.2807 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5800 -16.5800 -16.4968 -16.4968 -6.1335 -6.1335 -6.0414 -6.0414
-3.0383 -3.0383 -2.9875 -2.9875 -2.9347 -2.9347 -2.9098 -2.9098
-2.7085 -2.7085 -2.6648 -2.6648 -2.5976 -2.5976 -2.5774 -2.5774
-2.4862 -2.4862 -2.4377 -2.4377 -1.8035 -1.8035 -1.7422 -1.7422
-1.1937 -1.1937 -0.6600 -0.6600 -0.4233 -0.4233 -0.2585 -0.2585
1.6670 1.6670 1.9494 1.9494 3.2473 3.2473 3.8336 3.8336
4.0639 4.0639 5.2904 5.2904 6.4952 6.4952 6.6467 6.6467
6.8038 6.8038 6.8447 6.8447
k = 0.5000 0.2887 0.3377 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1330 -6.1330 -6.0417 -6.0417
-3.0381 -3.0381 -2.9876 -2.9876 -2.9345 -2.9345 -2.9097 -2.9097
-2.7083 -2.7083 -2.6650 -2.6650 -2.5976 -2.5976 -2.5775 -2.5775
-2.4856 -2.4856 -2.4377 -2.4377 -1.7997 -1.7997 -1.7472 -1.7472
-1.1942 -1.1942 -0.6588 -0.6588 -0.4242 -0.4242 -0.2585 -0.2585
1.6656 1.6656 1.9483 1.9483 3.2470 3.2470 3.8329 3.8329
4.0624 4.0624 5.2918 5.2918 6.5045 6.5045 6.6475 6.6475
6.8110 6.8110 6.8298 6.8298
k = 0.5000 0.2887 0.3377 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1330 -6.1330 -6.0417 -6.0417
-3.0381 -3.0381 -2.9876 -2.9876 -2.9345 -2.9345 -2.9097 -2.9097
-2.7083 -2.7083 -2.6650 -2.6650 -2.5976 -2.5976 -2.5775 -2.5775
-2.4856 -2.4856 -2.4377 -2.4377 -1.7997 -1.7997 -1.7472 -1.7472
-1.1942 -1.1942 -0.6588 -0.6588 -0.4242 -0.4242 -0.2585 -0.2585
1.6656 1.6656 1.9483 1.9483 3.2470 3.2470 3.8329 3.8329
4.0624 4.0624 5.2918 5.2918 6.5045 6.5045 6.6475 6.6475
6.8110 6.8110 6.8298 6.8298
k = 0.4921 0.3024 0.3377 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5796 -16.5796 -16.4972 -16.4972 -6.1328 -6.1328 -6.0418 -6.0418
-3.0381 -3.0381 -2.9877 -2.9877 -2.9345 -2.9345 -2.9098 -2.9098
-2.7082 -2.7082 -2.6650 -2.6650 -2.5977 -2.5977 -2.5773 -2.5773
-2.4856 -2.4856 -2.4377 -2.4377 -1.7997 -1.7997 -1.7471 -1.7471
-1.1952 -1.1952 -0.6581 -0.6581 -0.4243 -0.4243 -0.2589 -0.2589
1.6662 1.6662 1.9478 1.9478 3.2379 3.2379 3.8315 3.8315
4.0736 4.0736 5.2948 5.2948 6.5056 6.5056 6.6365 6.6365
6.8102 6.8102 6.8419 6.8419
k = 0.4841 0.3162 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5793 -16.5793 -16.4975 -16.4975 -6.1324 -6.1324 -6.0420 -6.0420
-3.0378 -3.0378 -2.9877 -2.9877 -2.9347 -2.9347 -2.9098 -2.9098
-2.7077 -2.7077 -2.6652 -2.6652 -2.5980 -2.5980 -2.5767 -2.5767
-2.4857 -2.4857 -2.4374 -2.4374 -1.7997 -1.7997 -1.7466 -1.7466
-1.1981 -1.1981 -0.6557 -0.6557 -0.4243 -0.4243 -0.2602 -0.2602
1.6680 1.6680 1.9461 1.9461 3.2118 3.2118 3.8275 3.8275
4.1055 4.1055 5.3038 5.3038 6.5088 6.5088 6.6098 6.6098
6.8083 6.8083 6.8719 6.8719
k = 0.4762 0.3299 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5787 -16.5787 -16.4980 -16.4980 -6.1317 -6.1317 -6.0424 -6.0424
-3.0374 -3.0374 -2.9876 -2.9876 -2.9348 -2.9348 -2.9100 -2.9100
-2.7070 -2.7070 -2.6655 -2.6655 -2.5986 -2.5986 -2.5758 -2.5758
-2.4858 -2.4858 -2.4369 -2.4369 -1.7996 -1.7996 -1.7457 -1.7457
-1.2030 -1.2030 -0.6519 -0.6519 -0.4244 -0.4244 -0.2623 -0.2623
1.6710 1.6710 1.9433 1.9433 3.1724 3.1724 3.8210 3.8210
4.1547 4.1547 5.3184 5.3184 6.5141 6.5141 6.5763 6.5763
6.8053 6.8053 6.9109 6.9109
k = 0.4683 0.3437 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5780 -16.5780 -16.4987 -16.4987 -6.1307 -6.1307 -6.0429 -6.0429
-3.0367 -3.0367 -2.9876 -2.9876 -2.9351 -2.9351 -2.9101 -2.9101
-2.7061 -2.7061 -2.6658 -2.6658 -2.5993 -2.5993 -2.5745 -2.5745
-2.4860 -2.4860 -2.4363 -2.4363 -1.7995 -1.7995 -1.7446 -1.7446
-1.2096 -1.2096 -0.6467 -0.6467 -0.4245 -0.4245 -0.2652 -0.2652
1.6751 1.6751 1.9395 1.9395 3.1238 3.1238 3.8123 3.8123
4.2170 4.2170 5.3379 5.3379 6.5209 6.5209 6.5412 6.5412
6.8014 6.8014 6.9541 6.9541
k = 0.4603 0.3574 0.3377 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5771 -16.5771 -16.4996 -16.4996 -6.1294 -6.1294 -6.0436 -6.0436
-3.0359 -3.0359 -2.9876 -2.9876 -2.9353 -2.9353 -2.9103 -2.9103
-2.7048 -2.7048 -2.6663 -2.6663 -2.6002 -2.6002 -2.5729 -2.5729
-2.4861 -2.4861 -2.4356 -2.4356 -1.7994 -1.7994 -1.7433 -1.7433
-1.2178 -1.2178 -0.6403 -0.6403 -0.4246 -0.4246 -0.2690 -0.2690
1.6804 1.6804 1.9348 1.9348 3.0694 3.0694 3.8018 3.8018
4.2887 4.2887 5.3613 5.3613 6.5059 6.5059 6.5301 6.5301
6.7968 6.7968 6.9992 6.9992
k = 0.4524 0.3712 0.3377 ( 6526 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3275 -19.3275
-16.5760 -16.5760 -16.5007 -16.5007 -6.1279 -6.1279 -6.0444 -6.0444
-3.0350 -3.0350 -2.9877 -2.9877 -2.9356 -2.9356 -2.9105 -2.9105
-2.7033 -2.7033 -2.6668 -2.6668 -2.6012 -2.6012 -2.5711 -2.5711
-2.4863 -2.4863 -2.4347 -2.4347 -1.7992 -1.7992 -1.7417 -1.7417
-1.2273 -1.2273 -0.6328 -0.6328 -0.4248 -0.4248 -0.2734 -0.2734
1.6867 1.6867 1.9291 1.9291 3.0119 3.0119 3.7899 3.7899
4.3670 4.3670 5.3876 5.3876 6.4736 6.4736 6.5394 6.5394
6.7918 6.7918 7.0452 7.0452
k = 0.4444 0.3849 0.3377 ( 6522 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3298 -19.3298 -19.3276 -19.3276
-16.5746 -16.5746 -16.5020 -16.5020 -6.1262 -6.1262 -6.0454 -6.0454
-3.0339 -3.0339 -2.9877 -2.9877 -2.9359 -2.9359 -2.9107 -2.9107
-2.7016 -2.7016 -2.6673 -2.6673 -2.6024 -2.6024 -2.5691 -2.5691
-2.4865 -2.4865 -2.4338 -2.4338 -1.7988 -1.7988 -1.7400 -1.7400
-1.2381 -1.2381 -0.6243 -0.6243 -0.4250 -0.4250 -0.2787 -0.2787
1.6940 1.6940 1.9227 1.9227 2.9532 2.9532 3.7771 3.7771
4.4497 4.4497 5.4154 5.4154 6.4445 6.4445 6.5492 6.5492
6.7869 6.7869 7.0913 7.0913
k = 0.4365 0.3986 0.3377 ( 6522 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3298 -19.3298 -19.3276 -19.3276
-16.5731 -16.5731 -16.5035 -16.5035 -6.1241 -6.1241 -6.0465 -6.0465
-3.0327 -3.0327 -2.9879 -2.9879 -2.9362 -2.9362 -2.9110 -2.9110
-2.6997 -2.6997 -2.6679 -2.6679 -2.6036 -2.6036 -2.5670 -2.5670
-2.4866 -2.4866 -2.4329 -2.4329 -1.7983 -1.7983 -1.7381 -1.7381
-1.2497 -1.2497 -0.6150 -0.6150 -0.4252 -0.4252 -0.2845 -0.2845
1.7023 1.7023 1.9155 1.9155 2.8947 2.8947 3.7637 3.7637
4.5353 4.5353 5.4433 5.4433 6.4197 6.4197 6.5583 6.5583
6.7826 6.7826 7.1176 7.1178
k = 0.4286 0.4124 0.3377 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3277 -19.3277
-16.5714 -16.5714 -16.5052 -16.5052 -6.1219 -6.1219 -6.0478 -6.0478
-3.0314 -3.0314 -2.9881 -2.9881 -2.9365 -2.9365 -2.9113 -2.9113
-2.6977 -2.6977 -2.6686 -2.6686 -2.6049 -2.6049 -2.5648 -2.5648
-2.4867 -2.4867 -2.4319 -2.4319 -1.7977 -1.7977 -1.7363 -1.7363
-1.2620 -1.2620 -0.6051 -0.6051 -0.4255 -0.4255 -0.2911 -0.2911
1.7115 1.7115 1.9078 1.9078 2.8374 2.8374 3.7502 3.7502
4.6225 4.6225 5.4698 5.4698 6.4001 6.4001 6.5659 6.5659
6.7795 6.7795 7.1203 7.1203
k = 0.4206 0.4261 0.3377 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3277 -19.3277
-16.5695 -16.5695 -16.5071 -16.5071 -6.1194 -6.1194 -6.0494 -6.0494
-3.0300 -3.0300 -2.9883 -2.9883 -2.9368 -2.9368 -2.9117 -2.9117
-2.6956 -2.6956 -2.6692 -2.6692 -2.6064 -2.6064 -2.5626 -2.5626
-2.4867 -2.4867 -2.4309 -2.4309 -1.7968 -1.7968 -1.7345 -1.7345
-1.2748 -1.2748 -0.5946 -0.5946 -0.4258 -0.4258 -0.2981 -0.2981
1.7213 1.7213 1.8997 1.8997 2.7821 2.7821 3.7369 3.7369
4.7100 4.7100 5.4933 5.4933 6.3866 6.3866 6.5710 6.5710
6.7777 6.7777 7.1244 7.1244
k = 0.4127 0.4399 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3278 -19.3278
-16.5675 -16.5675 -16.5091 -16.5091 -6.1166 -6.1166 -6.0511 -6.0511
-3.0285 -3.0285 -2.9886 -2.9886 -2.9370 -2.9370 -2.9120 -2.9120
-2.6933 -2.6933 -2.6698 -2.6698 -2.6079 -2.6079 -2.5603 -2.5603
-2.4866 -2.4866 -2.4300 -2.4300 -1.7956 -1.7956 -1.7329 -1.7329
-1.2876 -1.2876 -0.5837 -0.5837 -0.4262 -0.4262 -0.3056 -0.3056
1.7318 1.7318 1.8912 1.8912 2.7295 2.7295 3.7241 3.7241
4.7968 4.7968 5.5126 5.5126 6.3797 6.3797 6.5728 6.5728
6.7770 6.7770 7.1313 7.1313
k = 0.4048 0.4536 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3298 -19.3298 -19.3278 -19.3278
-16.5652 -16.5652 -16.5113 -16.5113 -6.1137 -6.1137 -6.0530 -6.0530
-3.0270 -3.0270 -2.9890 -2.9890 -2.9372 -2.9372 -2.9124 -2.9124
-2.6910 -2.6910 -2.6704 -2.6704 -2.6094 -2.6094 -2.5581 -2.5581
-2.4864 -2.4864 -2.4292 -2.4292 -1.7941 -1.7941 -1.7317 -1.7317
-1.3004 -1.3004 -0.5726 -0.5726 -0.4268 -0.4268 -0.3135 -0.3135
1.7427 1.7427 1.8826 1.8826 2.6800 2.6800 3.7121 3.7121
4.8820 4.8820 5.5264 5.5264 6.3799 6.3799 6.5714 6.5714
6.7764 6.7764 7.1423 7.1423
k = 0.3968 0.4674 0.3377 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5628 -16.5628 -16.5137 -16.5137 -6.1106 -6.1106 -6.0551 -6.0551
-3.0254 -3.0254 -2.9895 -2.9895 -2.9373 -2.9373 -2.9127 -2.9127
-2.6887 -2.6887 -2.6710 -2.6710 -2.6110 -2.6110 -2.5560 -2.5560
-2.4861 -2.4861 -2.4284 -2.4284 -1.7923 -1.7923 -1.7309 -1.7309
-1.3127 -1.3127 -0.5612 -0.5612 -0.4277 -0.4277 -0.3215 -0.3215
1.7538 1.7538 1.8740 1.8740 2.6342 2.6342 3.7009 3.7009
4.9647 4.9647 5.5342 5.5342 6.3872 6.3872 6.5672 6.5672
6.7742 6.7742 7.1586 7.1586
k = 0.3889 0.4811 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5602 -16.5602 -16.5163 -16.5163 -6.1073 -6.1073 -6.0574 -6.0574
-3.0238 -3.0238 -2.9901 -2.9901 -2.9373 -2.9373 -2.9130 -2.9130
-2.6864 -2.6864 -2.6715 -2.6715 -2.6125 -2.6125 -2.5541 -2.5541
-2.4857 -2.4857 -2.4278 -2.4278 -1.7900 -1.7900 -1.7306 -1.7306
-1.3244 -1.3244 -0.5497 -0.5497 -0.4289 -0.4289 -0.3295 -0.3295
1.7649 1.7649 1.8655 1.8655 2.5925 2.5925 3.6908 3.6908
5.0438 5.0438 5.5359 5.5359 6.4009 6.4009 6.5610 6.5610
6.7686 6.7686 7.1812 7.1812
k = 0.3810 0.4949 0.3377 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3280 -19.3280
-16.5575 -16.5575 -16.5190 -16.5190 -6.1038 -6.1038 -6.0599 -6.0599
-3.0222 -3.0222 -2.9907 -2.9907 -2.9373 -2.9373 -2.9132 -2.9132
-2.6842 -2.6842 -2.6720 -2.6720 -2.6139 -2.6139 -2.5523 -2.5523
-2.4852 -2.4852 -2.4273 -2.4273 -1.7872 -1.7872 -1.7311 -1.7311
-1.3351 -1.3351 -0.5382 -0.5382 -0.4307 -0.4307 -0.3373 -0.3373
1.7757 1.7757 1.8573 1.8573 2.5553 2.5553 3.6820 3.6820
5.1184 5.1184 5.5317 5.5317 6.4202 6.4202 6.5541 6.5541
6.7584 6.7584 7.2106 7.2106
k = 0.3730 0.5086 0.3377 ( 6526 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3296 -19.3296 -19.3280 -19.3280
-16.5546 -16.5546 -16.5218 -16.5218 -6.1002 -6.1002 -6.0627 -6.0627
-3.0208 -3.0208 -2.9913 -2.9913 -2.9372 -2.9372 -2.9135 -2.9135
-2.6821 -2.6821 -2.6724 -2.6724 -2.6153 -2.6153 -2.5507 -2.5507
-2.4845 -2.4845 -2.4269 -2.4269 -1.7838 -1.7838 -1.7325 -1.7325
-1.3446 -1.3446 -0.5267 -0.5267 -0.4334 -0.4334 -0.3445 -0.3445
1.7860 1.7860 1.8495 1.8495 2.5230 2.5230 3.6744 3.6744
5.1875 5.1875 5.5222 5.5222 6.4440 6.4440 6.5474 6.5474
6.7427 6.7427 7.2466 7.2466
k = 0.3651 0.5224 0.3377 ( 6530 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3296 -19.3296 -19.3280 -19.3280
-16.5515 -16.5515 -16.5248 -16.5248 -6.0964 -6.0964 -6.0657 -6.0657
-3.0194 -3.0194 -2.9920 -2.9920 -2.9371 -2.9371 -2.9137 -2.9137
-2.6802 -2.6802 -2.6728 -2.6728 -2.6166 -2.6166 -2.5494 -2.5494
-2.4839 -2.4839 -2.4267 -2.4267 -1.7799 -1.7799 -1.7349 -1.7349
-1.3527 -1.3527 -0.5154 -0.5154 -0.4372 -0.4372 -0.3508 -0.3508
1.7953 1.7953 1.8423 1.8423 2.4961 2.4961 3.6681 3.6681
5.2501 5.2501 5.5084 5.5084 6.4711 6.4711 6.5420 6.5420
6.7215 6.7215 7.2881 7.2881
k = 0.3571 0.5361 0.3377 ( 6526 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5484 -16.5484 -16.5280 -16.5280 -6.0925 -6.0925 -6.0690 -6.0690
-3.0182 -3.0182 -2.9926 -2.9926 -2.9370 -2.9370 -2.9138 -2.9138
-2.6786 -2.6786 -2.6733 -2.6733 -2.6176 -2.6176 -2.5484 -2.5484
-2.4832 -2.4832 -2.4265 -2.4265 -1.7753 -1.7753 -1.7384 -1.7384
-1.3592 -1.3592 -0.5042 -0.5042 -0.4423 -0.4423 -0.3558 -0.3558
1.8035 1.8035 1.8359 1.8359 2.4749 2.4749 3.6632 3.6632
5.3052 5.3052 5.4910 5.4910 6.5003 6.5003 6.5389 6.5389
6.6951 6.6951 7.3334 7.3334
k = 0.3492 0.5499 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5451 -16.5451 -16.5313 -16.5313 -6.0885 -6.0885 -6.0725 -6.0725
-3.0173 -3.0173 -2.9932 -2.9932 -2.9369 -2.9369 -2.9140 -2.9140
-2.6772 -2.6772 -2.6737 -2.6737 -2.6185 -2.6185 -2.5477 -2.5477
-2.4826 -2.4826 -2.4265 -2.4265 -1.7701 -1.7701 -1.7430 -1.7430
-1.3639 -1.3639 -0.4934 -0.4934 -0.4488 -0.4488 -0.3594 -0.3594
1.8100 1.8100 1.8305 1.8305 2.4596 2.4596 3.6597 3.6597
5.3521 5.3521 5.4709 5.4709 6.5294 6.5294 6.5399 6.5399
6.6643 6.6643 7.3800 7.3800
k = 0.3413 0.5636 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5417 -16.5417 -16.5347 -16.5347 -6.0845 -6.0845 -6.0763 -6.0763
-3.0167 -3.0167 -2.9935 -2.9935 -2.9369 -2.9369 -2.9140 -2.9140
-2.6761 -2.6761 -2.6742 -2.6742 -2.6190 -2.6190 -2.5473 -2.5473
-2.4822 -2.4822 -2.4265 -2.4265 -1.7644 -1.7644 -1.7483 -1.7483
-1.3667 -1.3667 -0.4836 -0.4836 -0.4561 -0.4561 -0.3615 -0.3615
1.8145 1.8145 1.8266 1.8266 2.4505 2.4505 3.6576 3.6576
5.3893 5.3893 5.4495 5.4495 6.5391 6.5391 6.5637 6.5637
6.6302 6.6302 7.4238 7.4239
k = 0.3333 0.5774 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0805 -6.0805 -6.0801 -6.0801
-3.0165 -3.0165 -2.9936 -2.9936 -2.9368 -2.9368 -2.9141 -2.9141
-2.6756 -2.6756 -2.6746 -2.6746 -2.6192 -2.6192 -2.5471 -2.5471
-2.4820 -2.4820 -2.4265 -2.4265 -1.7603 -1.7603 -1.7523 -1.7523
-1.3677 -1.3677 -0.4782 -0.4782 -0.4607 -0.4607 -0.3621 -0.3621
1.8160 1.8160 1.8252 1.8252 2.4474 2.4474 3.6569 3.6569
5.4092 5.4092 5.4348 5.4348 6.5419 6.5419 6.5917 6.5917
6.5992 6.5992 7.4515 7.4520
k = 0.3333 0.5774 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0805 -6.0805 -6.0801 -6.0801
-3.0165 -3.0165 -2.9936 -2.9936 -2.9368 -2.9368 -2.9141 -2.9141
-2.6756 -2.6756 -2.6746 -2.6746 -2.6192 -2.6192 -2.5471 -2.5471
-2.4820 -2.4820 -2.4265 -2.4265 -1.7603 -1.7603 -1.7523 -1.7523
-1.3677 -1.3677 -0.4782 -0.4782 -0.4607 -0.4607 -0.3621 -0.3621
1.8160 1.8160 1.8252 1.8252 2.4474 2.4474 3.6569 3.6569
5.4092 5.4092 5.4348 5.4348 6.5419 6.5419 6.5917 6.5917
6.5992 6.5992 7.4514 7.4524
k = 0.3252 0.5633 0.3377 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5419 -16.5419 -16.5345 -16.5345 -6.0847 -6.0847 -6.0760 -6.0760
-3.0168 -3.0168 -2.9935 -2.9935 -2.9369 -2.9369 -2.9141 -2.9141
-2.6762 -2.6762 -2.6742 -2.6742 -2.6190 -2.6190 -2.5473 -2.5473
-2.4822 -2.4822 -2.4265 -2.4265 -1.7653 -1.7653 -1.7473 -1.7473
-1.3667 -1.3667 -0.4843 -0.4843 -0.4555 -0.4555 -0.3615 -0.3615
1.8153 1.8153 1.8260 1.8260 2.4505 2.4505 3.6576 3.6576
5.3921 5.3921 5.4466 5.4466 6.5292 6.5292 6.5757 6.5757
6.6282 6.6282 7.4281 7.4283
k = 0.3171 0.5492 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5457 -16.5457 -16.5307 -16.5307 -6.0894 -6.0894 -6.0717 -6.0717
-3.0175 -3.0175 -2.9931 -2.9931 -2.9370 -2.9370 -2.9140 -2.9140
-2.6774 -2.6774 -2.6736 -2.6736 -2.6184 -2.6184 -2.5477 -2.5477
-2.4829 -2.4829 -2.4264 -2.4264 -1.7736 -1.7736 -1.7389 -1.7389
-1.3639 -1.3639 -0.4958 -0.4958 -0.4460 -0.4460 -0.3598 -0.3598
1.8144 1.8144 1.8270 1.8270 2.4596 2.4596 3.6598 3.6598
5.3657 5.3657 5.4579 5.4579 6.4906 6.4906 6.5824 6.5824
6.6604 6.6604 7.3937 7.3937
k = 0.3089 0.5351 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5496 -16.5496 -16.5268 -16.5268 -6.0943 -6.0943 -6.0674 -6.0674
-3.0186 -3.0186 -2.9924 -2.9924 -2.9373 -2.9373 -2.9139 -2.9139
-2.6791 -2.6791 -2.6730 -2.6730 -2.6175 -2.6175 -2.5484 -2.5484
-2.4842 -2.4842 -2.4262 -2.4262 -1.7828 -1.7828 -1.7292 -1.7292
-1.3593 -1.3593 -0.5091 -0.5091 -0.4360 -0.4360 -0.3573 -0.3573
1.8145 1.8145 1.8277 1.8277 2.4742 2.4742 3.6634 3.6634
5.3375 5.3375 5.4619 5.4619 6.4444 6.4444 6.5968 6.5968
6.6925 6.6925 7.3553 7.3553
k = 0.3008 0.5210 0.3377 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3280 -19.3280
-16.5536 -16.5536 -16.5228 -16.5228 -6.0996 -6.0996 -6.0631 -6.0631
-3.0201 -3.0201 -2.9915 -2.9915 -2.9376 -2.9376 -2.9137 -2.9137
-2.6811 -2.6811 -2.6724 -2.6724 -2.6163 -2.6163 -2.5492 -2.5492
-2.4860 -2.4860 -2.4260 -2.4260 -1.7924 -1.7924 -1.7186 -1.7186
-1.3531 -1.3531 -0.5234 -0.5234 -0.4260 -0.4260 -0.3540 -0.3540
1.8158 1.8158 1.8283 1.8283 2.4939 2.4939 3.6683 3.6683
5.3083 5.3083 5.4591 5.4591 6.3953 6.3953 6.6130 6.6130
6.7242 6.7242 7.3138 7.3138
k = 0.2927 0.5069 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3296 -19.3296 -19.3280 -19.3280
-16.5576 -16.5576 -16.5188 -16.5188 -6.1050 -6.1050 -6.0587 -6.0587
-3.0219 -3.0219 -2.9904 -2.9904 -2.9381 -2.9381 -2.9136 -2.9136
-2.6835 -2.6835 -2.6718 -2.6718 -2.6149 -2.6149 -2.5503 -2.5503
-2.4884 -2.4884 -2.4259 -2.4259 -1.8021 -1.8021 -1.7070 -1.7070
-1.3455 -1.3455 -0.5384 -0.5384 -0.4161 -0.4161 -0.3501 -0.3501
1.8185 1.8185 1.8294 1.8294 2.5180 2.5180 3.6747 3.6747
5.2782 5.2782 5.4503 5.4503 6.3447 6.3447 6.6288 6.6288
6.7555 6.7555 7.2697 7.2697
k = 0.2846 0.4929 0.3377 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3280 -19.3280
-16.5617 -16.5617 -16.5147 -16.5147 -6.1108 -6.1108 -6.0545 -6.0545
-3.0240 -3.0240 -2.9892 -2.9892 -2.9388 -2.9388 -2.9135 -2.9135
-2.6862 -2.6862 -2.6712 -2.6712 -2.6133 -2.6133 -2.5516 -2.5516
-2.4913 -2.4913 -2.4258 -2.4258 -1.8116 -1.8116 -1.6945 -1.6945
-1.3366 -1.3366 -0.5539 -0.5539 -0.4065 -0.4065 -0.3458 -0.3458
1.8225 1.8225 1.8315 1.8315 2.5460 2.5460 3.6824 3.6824
5.2475 5.2475 5.4365 5.4365 6.2931 6.2931 6.6419 6.6419
6.7860 6.7860 7.2234 7.2234
k = 0.2764 0.4788 0.3377 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3279 -19.3279
-16.5659 -16.5659 -16.5106 -16.5106 -6.1167 -6.1167 -6.0503 -6.0503
-3.0264 -3.0264 -2.9879 -2.9879 -2.9396 -2.9396 -2.9134 -2.9134
-2.6891 -2.6891 -2.6705 -2.6705 -2.6115 -2.6115 -2.5530 -2.5530
-2.4948 -2.4948 -2.4260 -2.4260 -1.8206 -1.8206 -1.6811 -1.6811
-1.3266 -1.3266 -0.5698 -0.5698 -0.3972 -0.3972 -0.3411 -0.3411
1.8276 1.8276 1.8354 1.8354 2.5774 2.5774 3.6914 3.6914
5.2161 5.2161 5.4187 5.4187 6.2411 6.2411 6.6505 6.6505
6.8153 6.8153 7.1757 7.1757
k = 0.2683 0.4647 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3278 -19.3278
-16.5701 -16.5701 -16.5065 -16.5065 -6.1229 -6.1229 -6.0461 -6.0461
-3.0289 -3.0289 -2.9866 -2.9866 -2.9406 -2.9406 -2.9133 -2.9133
-2.6922 -2.6922 -2.6697 -2.6697 -2.6097 -2.6097 -2.5545 -2.5545
-2.4986 -2.4986 -2.4265 -2.4265 -1.8290 -1.8290 -1.6669 -1.6669
-1.3156 -1.3156 -0.5860 -0.5860 -0.3881 -0.3881 -0.3361 -0.3361
1.8334 1.8334 1.8417 1.8417 2.6118 2.6118 3.7016 3.7016
5.1839 5.1839 5.3977 5.3977 6.1890 6.1890 6.6528 6.6528
6.8421 6.8421 7.1281 7.1281
k = 0.2602 0.4506 0.3377 ( 6548 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3297 -19.3297 -19.3278 -19.3278
-16.5744 -16.5744 -16.5023 -16.5023 -6.1294 -6.1294 -6.0421 -6.0421
-3.0316 -3.0316 -2.9853 -2.9853 -2.9417 -2.9417 -2.9132 -2.9132
-2.6956 -2.6956 -2.6689 -2.6689 -2.6079 -2.6079 -2.5562 -2.5562
-2.5029 -2.5029 -2.4274 -2.4274 -1.8365 -1.8365 -1.6520 -1.6520
-1.3038 -1.3038 -0.6024 -0.6024 -0.3794 -0.3794 -0.3309 -0.3309
1.8401 1.8401 1.8507 1.8507 2.6486 2.6486 3.7132 3.7132
5.1509 5.1509 5.3743 5.3743 6.1372 6.1372 6.6475 6.6475
6.8637 6.8637 7.0834 7.0834
k = 0.2520 0.4365 0.3377 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3297 -19.3297 -19.3277 -19.3277
-16.5786 -16.5786 -16.4981 -16.4981 -6.1360 -6.1360 -6.0381 -6.0381
-3.0345 -3.0345 -2.9840 -2.9840 -2.9430 -2.9430 -2.9132 -2.9132
-2.6990 -2.6990 -2.6680 -2.6680 -2.6060 -2.6060 -2.5580 -2.5580
-2.5073 -2.5073 -2.4288 -2.4288 -1.8430 -1.8430 -1.6363 -1.6363
-1.2912 -1.2912 -0.6189 -0.6189 -0.3710 -0.3710 -0.3256 -0.3256
1.8484 1.8484 1.8621 1.8621 2.6875 2.6875 3.7259 3.7259
5.1170 5.1170 5.3491 5.3491 6.0861 6.0861 6.6340 6.6340
6.8740 6.8740 7.0474 7.0474
k = 0.2439 0.4225 0.3377 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3297 -19.3297 -19.3276 -19.3276
-16.5829 -16.5829 -16.4940 -16.4940 -6.1428 -6.1428 -6.0342 -6.0342
-3.0374 -3.0374 -2.9826 -2.9826 -2.9444 -2.9444 -2.9133 -2.9133
-2.7025 -2.7025 -2.6670 -2.6670 -2.6042 -2.6042 -2.5598 -2.5598
-2.5120 -2.5120 -2.4308 -2.4308 -1.8482 -1.8482 -1.6200 -1.6200
-1.2780 -1.2780 -0.6355 -0.6355 -0.3630 -0.3630 -0.3202 -0.3202
1.8588 1.8588 1.8756 1.8756 2.7280 2.7280 3.7399 3.7399
5.0820 5.0820 5.3226 5.3226 6.0359 6.0359 6.6127 6.6127
6.8639 6.8639 7.0286 7.0286
k = 0.2358 0.4084 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3297 -19.3297 -19.3276 -19.3276
-16.5871 -16.5871 -16.4898 -16.4898 -6.1498 -6.1498 -6.0305 -6.0305
-3.0405 -3.0405 -2.9813 -2.9813 -2.9460 -2.9460 -2.9134 -2.9134
-2.7060 -2.7060 -2.6660 -2.6660 -2.6025 -2.6025 -2.5617 -2.5617
-2.5168 -2.5168 -2.4334 -2.4334 -1.8523 -1.8523 -1.6031 -1.6031
-1.2643 -1.2643 -0.6522 -0.6522 -0.3553 -0.3553 -0.3148 -0.3148
1.8713 1.8713 1.8913 1.8913 2.7698 2.7698 3.7550 3.7550
5.0459 5.0459 5.2953 5.2953 5.9871 5.9871 6.5845 6.5845
6.8321 6.8321 7.0272 7.0272
k = 0.2276 0.3943 0.3377 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3297 -19.3297 -19.3275 -19.3275
-16.5914 -16.5914 -16.4857 -16.4857 -6.1569 -6.1569 -6.0269 -6.0269
-3.0437 -3.0437 -2.9800 -2.9800 -2.9476 -2.9476 -2.9136 -2.9136
-2.7096 -2.7096 -2.6650 -2.6650 -2.6008 -2.6008 -2.5637 -2.5637
-2.5217 -2.5217 -2.4367 -2.4367 -1.8549 -1.8549 -1.5857 -1.5857
-1.2501 -1.2501 -0.6688 -0.6688 -0.3480 -0.3480 -0.3095 -0.3095
1.8864 1.8864 1.9091 1.9091 2.8125 2.8125 3.7713 3.7713
5.0084 5.0084 5.2674 5.2674 5.9398 5.9398 6.5511 6.5511
6.7875 6.7875 7.0320 7.0320
k = 0.2195 0.3802 0.3377 ( 6544 PWs) bands (ev):
-38.5088 -38.5088 -19.7102 -19.7102 -19.3297 -19.3297 -19.3274 -19.3274
-16.5956 -16.5956 -16.4816 -16.4816 -6.1641 -6.1641 -6.0235 -6.0235
-3.0469 -3.0469 -2.9787 -2.9787 -2.9494 -2.9494 -2.9140 -2.9140
-2.7132 -2.7132 -2.6639 -2.6639 -2.5994 -2.5994 -2.5658 -2.5658
-2.5265 -2.5265 -2.4407 -2.4407 -1.8563 -1.8563 -1.5679 -1.5679
-1.2356 -1.2356 -0.6853 -0.6853 -0.3411 -0.3411 -0.3044 -0.3044
1.9040 1.9040 1.9290 1.9290 2.8558 2.8558 3.7887 3.7887
4.9695 4.9695 5.2390 5.2390 5.8946 5.8946 6.5141 6.5141
6.7374 6.7374 7.0337 7.0337
k = 0.2114 0.3661 0.3377 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3296 -19.3296 -19.3273 -19.3273
-16.5998 -16.5998 -16.4775 -16.4775 -6.1714 -6.1714 -6.0201 -6.0201
-3.0502 -3.0502 -2.9775 -2.9775 -2.9513 -2.9513 -2.9144 -2.9144
-2.7166 -2.7166 -2.6628 -2.6628 -2.5980 -2.5980 -2.5678 -2.5678
-2.5313 -2.5313 -2.4453 -2.4453 -1.8562 -1.8562 -1.5496 -1.5496
-1.2209 -1.2209 -0.7016 -0.7016 -0.3346 -0.3346 -0.2994 -0.2994
1.9243 1.9243 1.9511 1.9511 2.8993 2.8993 3.8071 3.8071
4.9289 4.9289 5.2105 5.2105 5.8516 5.8516 6.4750 6.4750
6.6855 6.6855 7.0287 7.0287
k = 0.2033 0.3520 0.3377 ( 6548 PWs) bands (ev):
-38.5088 -38.5088 -19.7101 -19.7101 -19.3296 -19.3296 -19.3272 -19.3272
-16.6039 -16.6039 -16.4735 -16.4735 -6.1788 -6.1788 -6.0170 -6.0170
-3.0536 -3.0536 -2.9763 -2.9763 -2.9532 -2.9532 -2.9150 -2.9150
-2.7201 -2.7201 -2.6617 -2.6617 -2.5969 -2.5969 -2.5700 -2.5700
-2.5361 -2.5361 -2.4506 -2.4506 -1.8548 -1.8548 -1.5311 -1.5311
-1.2060 -1.2060 -0.7178 -0.7178 -0.3286 -0.3286 -0.2947 -0.2947
1.9473 1.9473 1.9753 1.9753 2.9427 2.9427 3.8266 3.8266
4.8866 4.8866 5.1816 5.1816 5.8113 5.8113 6.4349 6.4349
6.6332 6.6332 7.0172 7.0172
k = 0.1951 0.3380 0.3377 ( 6552 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3296 -19.3296 -19.3271 -19.3271
-16.6080 -16.6080 -16.4696 -16.4696 -6.1862 -6.1862 -6.0140 -6.0140
-3.0570 -3.0570 -2.9752 -2.9752 -2.9551 -2.9551 -2.9156 -2.9156
-2.7234 -2.7234 -2.6606 -2.6606 -2.5960 -2.5960 -2.5720 -2.5720
-2.5406 -2.5406 -2.4563 -2.4563 -1.8522 -1.8522 -1.5124 -1.5124
-1.1910 -1.1910 -0.7337 -0.7337 -0.3229 -0.3229 -0.2903 -0.2903
1.9730 1.9730 2.0017 2.0017 2.9855 2.9855 3.8470 3.8470
4.8425 4.8425 5.1525 5.1525 5.7740 5.7740 6.3952 6.3952
6.5815 6.5815 7.0012 7.0012
k = 0.1870 0.3239 0.3377 ( 6556 PWs) bands (ev):
-38.5088 -38.5088 -19.7100 -19.7100 -19.3296 -19.3296 -19.3271 -19.3271
-16.6120 -16.6120 -16.4657 -16.4657 -6.1936 -6.1936 -6.0112 -6.0112
-3.0603 -3.0603 -2.9742 -2.9742 -2.9571 -2.9571 -2.9164 -2.9164
-2.7266 -2.7266 -2.6594 -2.6594 -2.5953 -2.5953 -2.5741 -2.5741
-2.5449 -2.5449 -2.4626 -2.4626 -1.8484 -1.8484 -1.4935 -1.4935
-1.1759 -1.1759 -0.7493 -0.7493 -0.3177 -0.3177 -0.2862 -0.2862
2.0015 2.0015 2.0303 2.0303 3.0276 3.0276 3.8684 3.8684
4.7964 4.7964 5.1230 5.1230 5.7399 5.7399 6.3565 6.3565
6.5308 6.5308 6.9829 6.9829
k = 0.1789 0.3098 0.3377 ( 6552 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3296 -19.3296 -19.3269 -19.3269
-16.6159 -16.6159 -16.4620 -16.4620 -6.2010 -6.2010 -6.0085 -6.0085
-3.0637 -3.0637 -2.9733 -2.9733 -2.9590 -2.9590 -2.9172 -2.9172
-2.7296 -2.7296 -2.6583 -2.6583 -2.5950 -2.5950 -2.5761 -2.5761
-2.5489 -2.5489 -2.4691 -2.4691 -1.8435 -1.8435 -1.4746 -1.4746
-1.1609 -1.1609 -0.7646 -0.7646 -0.3130 -0.3130 -0.2825 -0.2825
2.0327 2.0327 2.0612 2.0612 3.0685 3.0685 3.8906 3.8906
4.7482 4.7482 5.0928 5.0928 5.7095 5.7095 6.3196 6.3196
6.4815 6.4815 6.9641 6.9641
k = 0.1707 0.2957 0.3377 ( 6564 PWs) bands (ev):
-38.5088 -38.5088 -19.7099 -19.7099 -19.3296 -19.3296 -19.3269 -19.3269
-16.6197 -16.6197 -16.4583 -16.4583 -6.2084 -6.2084 -6.0060 -6.0060
-3.0671 -3.0671 -2.9727 -2.9727 -2.9608 -2.9608 -2.9182 -2.9182
-2.7325 -2.7325 -2.6572 -2.6572 -2.5952 -2.5952 -2.5780 -2.5780
-2.5527 -2.5527 -2.4760 -2.4760 -1.8376 -1.8376 -1.4557 -1.4557
-1.1460 -1.1460 -0.7795 -0.7795 -0.3086 -0.3086 -0.2792 -0.2792
2.0667 2.0667 2.0942 2.0942 3.1080 3.1080 3.9137 3.9137
4.6980 4.6980 5.0618 5.0618 5.6828 5.6828 6.2851 6.2851
6.4338 6.4338 6.9458 6.9458
k = 0.1626 0.2816 0.3377 ( 6560 PWs) bands (ev):
-38.5088 -38.5088 -19.7098 -19.7098 -19.3295 -19.3295 -19.3268 -19.3268
-16.6234 -16.6234 -16.4547 -16.4547 -6.2157 -6.2157 -6.0037 -6.0037
-3.0704 -3.0704 -2.9723 -2.9723 -2.9623 -2.9623 -2.9192 -2.9192
-2.7352 -2.7352 -2.6561 -2.6561 -2.5959 -2.5959 -2.5797 -2.5797
-2.5559 -2.5559 -2.4831 -2.4831 -1.8309 -1.8309 -1.4368 -1.4368
-1.1312 -1.1312 -0.7940 -0.7940 -0.3047 -0.3047 -0.2763 -0.2763
2.1033 2.1033 2.1295 2.1295 3.1457 3.1457 3.9374 3.9374
4.6458 4.6458 5.0298 5.0298 5.6599 5.6599 6.2536 6.2536
6.3877 6.3877 6.9288 6.9288
k = 0.1545 0.2676 0.3377 ( 6568 PWs) bands (ev):
-38.5089 -38.5089 -19.7098 -19.7098 -19.3295 -19.3295 -19.3267 -19.3267
-16.6270 -16.6270 -16.4513 -16.4513 -6.2228 -6.2228 -6.0015 -6.0015
-3.0737 -3.0737 -2.9724 -2.9724 -2.9635 -2.9635 -2.9204 -2.9204
-2.7377 -2.7377 -2.6550 -2.6550 -2.5972 -2.5972 -2.5813 -2.5813
-2.5589 -2.5589 -2.4902 -2.4902 -1.8235 -1.8235 -1.4182 -1.4182
-1.1167 -1.1167 -0.8080 -0.8080 -0.3013 -0.3013 -0.2738 -0.2738
2.1424 2.1424 2.1670 2.1670 3.1815 3.1815 3.9617 3.9617
4.5915 4.5915 4.9966 4.9966 5.6406 5.6406 6.2255 6.2255
6.3433 6.3433 6.9137 6.9137
k = 0.1463 0.2535 0.3377 ( 6568 PWs) bands (ev):
-38.5089 -38.5089 -19.7097 -19.7097 -19.3295 -19.3295 -19.3266 -19.3266
-16.6305 -16.6305 -16.4479 -16.4479 -6.2298 -6.2298 -5.9995 -5.9995
-3.0769 -3.0769 -2.9730 -2.9730 -2.9640 -2.9640 -2.9215 -2.9215
-2.7399 -2.7399 -2.6540 -2.6540 -2.5990 -2.5990 -2.5826 -2.5826
-2.5613 -2.5613 -2.4973 -2.4973 -1.8156 -1.8156 -1.3998 -1.3998
-1.1024 -1.1024 -0.8216 -0.8216 -0.2982 -0.2982 -0.2718 -0.2718
2.1840 2.1840 2.2067 2.2067 3.2150 3.2150 3.9865 3.9865
4.5352 4.5352 4.9620 4.9620 5.6248 5.6248 6.2011 6.2011
6.3007 6.3007 6.9006 6.9006
k = 0.1382 0.2394 0.3377 ( 6584 PWs) bands (ev):
-38.5089 -38.5089 -19.7097 -19.7097 -19.3295 -19.3295 -19.3265 -19.3265
-16.6339 -16.6339 -16.4447 -16.4447 -6.2367 -6.2367 -5.9977 -5.9977
-3.0800 -3.0800 -2.9742 -2.9742 -2.9641 -2.9641 -2.9228 -2.9228
-2.7420 -2.7420 -2.6530 -2.6530 -2.6014 -2.6014 -2.5838 -2.5838
-2.5634 -2.5634 -2.5044 -2.5044 -1.8072 -1.8072 -1.3817 -1.3817
-1.0885 -1.0885 -0.8347 -0.8347 -0.2956 -0.2956 -0.2702 -0.2702
2.2279 2.2279 2.2485 2.2485 3.2461 3.2461 4.0117 4.0117
4.4771 4.4771 4.9260 4.9260 5.6119 5.6119 6.1805 6.1805
6.2599 6.2599 6.8878 6.8881
k = 0.1301 0.2253 0.3377 ( 6576 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3295 -19.3295 -19.3264 -19.3264
-16.6371 -16.6371 -16.4417 -16.4417 -6.2433 -6.2433 -5.9960 -5.9960
-3.0830 -3.0830 -2.9757 -2.9757 -2.9639 -2.9639 -2.9240 -2.9240
-2.7438 -2.7438 -2.6520 -2.6520 -2.6042 -2.6042 -2.5848 -2.5848
-2.5649 -2.5649 -2.5112 -2.5112 -1.7985 -1.7985 -1.3640 -1.3640
-1.0750 -1.0750 -0.8471 -0.8471 -0.2935 -0.2935 -0.2690 -0.2690
2.2739 2.2739 2.2925 2.2925 3.2748 3.2748 4.0369 4.0369
4.4173 4.4173 4.8885 4.8885 5.6013 5.6013 6.1635 6.1635
6.2209 6.2209 6.8375 6.8375
k = 0.1220 0.2112 0.3377 ( 6568 PWs) bands (ev):
-38.5089 -38.5089 -19.7096 -19.7096 -19.3294 -19.3294 -19.3262 -19.3262
-16.6402 -16.6402 -16.4387 -16.4387 -6.2497 -6.2497 -5.9945 -5.9945
-3.0859 -3.0859 -2.9774 -2.9774 -2.9635 -2.9635 -2.9253 -2.9253
-2.7453 -2.7453 -2.6511 -2.6511 -2.6073 -2.6073 -2.5858 -2.5858
-2.5662 -2.5662 -2.5178 -2.5178 -1.7896 -1.7896 -1.3468 -1.3468
-1.0619 -1.0619 -0.8591 -0.8591 -0.2916 -0.2916 -0.2682 -0.2682
2.3218 2.3218 2.3385 2.3385 3.3009 3.3009 4.0618 4.0618
4.3562 4.3562 4.8495 4.8495 5.5924 5.5924 6.1497 6.1497
6.1837 6.1837 6.7865 6.7866
k = 0.1138 0.1971 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7095 -19.7095 -19.3294 -19.3294 -19.3261 -19.3261
-16.6431 -16.6431 -16.4360 -16.4360 -6.2558 -6.2558 -5.9931 -5.9931
-3.0887 -3.0887 -2.9792 -2.9792 -2.9630 -2.9630 -2.9267 -2.9267
-2.7467 -2.7467 -2.6503 -2.6503 -2.6107 -2.6107 -2.5867 -2.5867
-2.5672 -2.5672 -2.5241 -2.5241 -1.7807 -1.7807 -1.3301 -1.3301
-1.0494 -1.0494 -0.8704 -0.8704 -0.2902 -0.2902 -0.2677 -0.2677
2.3714 2.3714 2.3866 2.3866 3.3244 3.3244 4.0858 4.0858
4.2946 4.2946 4.8092 4.8092 5.5846 5.5846 6.1375 6.1375
6.1488 6.1488 6.7410 6.7410
k = 0.1057 0.1831 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3294 -19.3294 -19.3260 -19.3260
-16.6458 -16.6458 -16.4334 -16.4334 -6.2617 -6.2617 -5.9918 -5.9918
-3.0913 -3.0913 -2.9810 -2.9810 -2.9624 -2.9624 -2.9280 -2.9280
-2.7478 -2.7478 -2.6496 -2.6496 -2.6143 -2.6143 -2.5875 -2.5875
-2.5679 -2.5679 -2.5300 -2.5300 -1.7718 -1.7718 -1.3141 -1.3141
-1.0374 -1.0374 -0.8811 -0.8811 -0.2892 -0.2892 -0.2675 -0.2675
2.4224 2.4224 2.4365 2.4365 3.3454 3.3454 4.1064 4.1064
4.2346 4.2346 4.7677 4.7677 5.5772 5.5772 6.1136 6.1136
6.1277 6.1277 6.7041 6.7041
k = 0.0976 0.1690 0.3377 ( 6562 PWs) bands (ev):
-38.5089 -38.5089 -19.7094 -19.7094 -19.3294 -19.3294 -19.3259 -19.3259
-16.6484 -16.6484 -16.4309 -16.4309 -6.2672 -6.2672 -5.9907 -5.9907
-3.0937 -3.0937 -2.9826 -2.9826 -2.9619 -2.9619 -2.9293 -2.9293
-2.7486 -2.7486 -2.6490 -2.6490 -2.6179 -2.6179 -2.5883 -2.5883
-2.5685 -2.5685 -2.5355 -2.5355 -1.7632 -1.7632 -1.2988 -1.2988
-1.0261 -1.0261 -0.8911 -0.8911 -0.2884 -0.2884 -0.2676 -0.2676
2.4745 2.4745 2.4883 2.4883 3.3640 3.3640 4.1118 4.1118
4.1883 4.1883 4.7251 4.7251 5.5699 5.5699 6.0821 6.0821
6.1144 6.1144 6.6790 6.6790
k = 0.0894 0.1549 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3294 -19.3294 -19.3259 -19.3259
-16.6508 -16.6508 -16.4287 -16.4287 -6.2724 -6.2724 -5.9896 -5.9896
-3.0960 -3.0960 -2.9843 -2.9843 -2.9614 -2.9614 -2.9305 -2.9305
-2.7493 -2.7493 -2.6485 -2.6485 -2.6215 -2.6215 -2.5889 -2.5889
-2.5691 -2.5691 -2.5406 -2.5406 -1.7548 -1.7548 -1.2843 -1.2843
-1.0155 -1.0155 -0.9004 -0.9004 -0.2880 -0.2880 -0.2678 -0.2678
2.5272 2.5272 2.5417 2.5417 3.3802 3.3802 4.0733 4.0733
4.1842 4.1842 4.6818 4.6818 5.5624 5.5624 6.0522 6.0522
6.0978 6.0978 6.6681 6.6682
k = 0.0813 0.1408 0.3377 ( 6574 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3258 -19.3258
-16.6530 -16.6530 -16.4266 -16.4266 -6.2772 -6.2772 -5.9888 -5.9888
-3.0981 -3.0981 -2.9859 -2.9859 -2.9610 -2.9610 -2.9318 -2.9318
-2.7498 -2.7498 -2.6481 -2.6481 -2.6250 -2.6250 -2.5895 -2.5895
-2.5697 -2.5697 -2.5452 -2.5452 -1.7468 -1.7468 -1.2706 -1.2706
-1.0056 -1.0056 -0.9090 -0.9090 -0.2879 -0.2879 -0.2683 -0.2683
2.5802 2.5802 2.5965 2.5965 3.3943 3.3943 4.0121 4.0121
4.2012 4.2012 4.6379 4.6379 5.5548 5.5548 6.0242 6.0242
6.0768 6.0768 6.6729 6.6729
k = 0.0732 0.1267 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7093 -19.7093 -19.3293 -19.3293 -19.3257 -19.3257
-16.6550 -16.6550 -16.4247 -16.4247 -6.2816 -6.2816 -5.9880 -5.9880
-3.1001 -3.1001 -2.9874 -2.9874 -2.9605 -2.9605 -2.9330 -2.9330
-2.7501 -2.7501 -2.6480 -2.6480 -2.6283 -2.6283 -2.5898 -2.5898
-2.5702 -2.5702 -2.5492 -2.5492 -1.7393 -1.7393 -1.2579 -1.2579
-0.9966 -0.9966 -0.9168 -0.9168 -0.2880 -0.2880 -0.2688 -0.2688
2.6327 2.6327 2.6527 2.6527 3.4064 3.4064 3.9460 3.9460
4.2216 4.2216 4.5941 4.5941 5.5471 5.5471 5.9982 5.9982
6.0518 6.0518 6.6929 6.6929
k = 0.0650 0.1127 0.3377 ( 6570 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3256 -19.3256
-16.6568 -16.6568 -16.4229 -16.4229 -6.2856 -6.2856 -5.9873 -5.9873
-3.1018 -3.1018 -2.9887 -2.9887 -2.9601 -2.9601 -2.9341 -2.9341
-2.7502 -2.7502 -2.6480 -2.6480 -2.6312 -2.6312 -2.5901 -2.5901
-2.5709 -2.5709 -2.5527 -2.5527 -1.7323 -1.7323 -1.2463 -1.2463
-0.9885 -0.9885 -0.9238 -0.9238 -0.2883 -0.2883 -0.2694 -0.2694
2.6841 2.6841 2.7101 2.7101 3.4167 3.4167 3.8784 3.8784
4.2419 4.2419 4.5508 4.5508 5.5394 5.5394 5.9743 5.9743
6.0242 6.0242 6.7265 6.7265
k = 0.0569 0.0986 0.3377 ( 6584 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3256 -19.3256
-16.6585 -16.6585 -16.4214 -16.4214 -6.2892 -6.2892 -5.9867 -5.9867
-3.1034 -3.1034 -2.9899 -2.9899 -2.9597 -2.9597 -2.9351 -2.9351
-2.7502 -2.7502 -2.6484 -2.6484 -2.6338 -2.6338 -2.5902 -2.5902
-2.5717 -2.5717 -2.5557 -2.5557 -1.7260 -1.7260 -1.2357 -1.2357
-0.9815 -0.9815 -0.9298 -0.9298 -0.2887 -0.2887 -0.2700 -0.2700
2.7334 2.7334 2.7684 2.7684 3.4253 3.4253 3.8105 3.8105
4.2610 4.2610 4.5087 4.5087 5.5320 5.5320 5.9526 5.9526
5.9958 5.9958 6.7711 6.7711
k = 0.0488 0.0845 0.3377 ( 6588 PWs) bands (ev):
-38.5089 -38.5089 -19.7092 -19.7092 -19.3293 -19.3293 -19.3255 -19.3255
-16.6599 -16.6599 -16.4201 -16.4201 -6.2924 -6.2924 -5.9862 -5.9862
-3.1048 -3.1048 -2.9910 -2.9910 -2.9594 -2.9594 -2.9361 -2.9361
-2.7501 -2.7501 -2.6491 -2.6491 -2.6358 -2.6358 -2.5901 -2.5901
-2.5727 -2.5727 -2.5580 -2.5580 -1.7204 -1.7204 -1.2264 -1.2264
-0.9755 -0.9755 -0.9349 -0.9349 -0.2892 -0.2892 -0.2706 -0.2706
2.7798 2.7798 2.8271 2.8271 3.4324 3.4324 3.7431 3.7431
4.2783 4.2783 4.4688 4.4688 5.5251 5.5251 5.9332 5.9332
5.9686 5.9686 6.8244 6.8244
k = 0.0407 0.0704 0.3377 ( 6576 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6611 -16.6611 -16.4190 -16.4190 -6.2951 -6.2951 -5.9858 -5.9858
-3.1060 -3.1060 -2.9919 -2.9919 -2.9591 -2.9591 -2.9369 -2.9369
-2.7500 -2.7500 -2.6501 -2.6501 -2.6372 -2.6372 -2.5899 -2.5899
-2.5738 -2.5738 -2.5597 -2.5597 -1.7155 -1.7155 -1.2183 -1.2183
-0.9709 -0.9709 -0.9388 -0.9388 -0.2898 -0.2898 -0.2712 -0.2712
2.8220 2.8220 2.8857 2.8857 3.4382 3.4382 3.6771 3.6771
4.2934 4.2934 4.4322 4.4322 5.5189 5.5189 5.9162 5.9162
5.9439 5.9439 6.8834 6.8834
k = 0.0325 0.0563 0.3377 ( 6576 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6620 -16.6620 -16.4180 -16.4180 -6.2973 -6.2973 -5.9855 -5.9855
-3.1069 -3.1069 -2.9926 -2.9926 -2.9588 -2.9588 -2.9376 -2.9376
-2.7498 -2.7498 -2.6512 -2.6512 -2.6382 -2.6382 -2.5897 -2.5897
-2.5750 -2.5750 -2.5610 -2.5610 -1.7115 -1.7115 -1.2116 -1.2116
-0.9676 -0.9676 -0.9414 -0.9414 -0.2903 -0.2903 -0.2716 -0.2716
2.8590 2.8590 2.9430 2.9430 3.4426 3.4426 3.6138 3.6138
4.3057 4.3057 4.4003 4.4003 5.5135 5.5135 5.9016 5.9016
5.9230 5.9230 6.9447 6.9448
k = 0.0244 0.0422 0.3377 ( 6572 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3254 -19.3254
-16.6628 -16.6628 -16.4173 -16.4173 -6.2990 -6.2990 -5.9852 -5.9852
-3.1077 -3.1077 -2.9932 -2.9932 -2.9586 -2.9586 -2.9381 -2.9381
-2.7496 -2.7496 -2.6523 -2.6523 -2.6388 -2.6388 -2.5894 -2.5894
-2.5761 -2.5761 -2.5618 -2.5618 -1.7083 -1.7083 -1.2063 -1.2063
-0.9658 -0.9658 -0.9428 -0.9428 -0.2908 -0.2908 -0.2720 -0.2720
2.8895 2.8895 2.9972 2.9972 3.4455 3.4455 3.5553 3.5553
4.3145 4.3145 4.3747 4.3747 5.5091 5.5091 5.8893 5.8893
5.9068 5.9068 7.0035 7.0035
k = 0.0163 0.0282 0.3377 ( 6560 PWs) bands (ev):
-38.5089 -38.5089 -19.7091 -19.7091 -19.3293 -19.3293 -19.3253 -19.3253
-16.6634 -16.6634 -16.4168 -16.4168 -6.3002 -6.3002 -5.9851 -5.9851
-3.1082 -3.1082 -2.9936 -2.9936 -2.9584 -2.9584 -2.9385 -2.9385
-2.7494 -2.7494 -2.6531 -2.6531 -2.6391 -2.6391 -2.5890 -2.5890
-2.5770 -2.5770 -2.5624 -2.5624 -1.7060 -1.7060 -1.2024 -1.2024
-0.9650 -0.9650 -0.9432 -0.9432 -0.2912 -0.2912 -0.2723 -0.2723
2.9123 2.9123 3.0447 3.0447 3.4463 3.4463 3.5060 3.5060
4.3186 4.3186 4.3576 4.3576 5.5060 5.5060 5.8798 5.8798
5.8956 5.8956 7.0515 7.0524
k = 0.0081 0.0141 0.3377 ( 6552 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3293 -19.3293 -19.3253 -19.3253
-16.6637 -16.6637 -16.4165 -16.4165 -6.3010 -6.3010 -5.9849 -5.9849
-3.1085 -3.1085 -2.9938 -2.9938 -2.9583 -2.9583 -2.9387 -2.9387
-2.7493 -2.7493 -2.6537 -2.6537 -2.6393 -2.6393 -2.5888 -2.5888
-2.5777 -2.5777 -2.5627 -2.5627 -1.7046 -1.7046 -1.2001 -1.2001
-0.9648 -0.9648 -0.9432 -0.9432 -0.2914 -0.2914 -0.2725 -0.2725
2.9264 2.9264 3.0795 3.0795 3.4423 3.4423 3.4746 3.4746
4.3180 4.3180 4.3500 4.3500 5.5040 5.5040 5.8736 5.8736
5.8892 5.8892 7.0811 7.0814
k = 0.0000 0.0000 0.3377 ( 6548 PWs) bands (ev):
-38.5089 -38.5089 -19.7090 -19.7090 -19.3293 -19.3293 -19.3253 -19.3253
-16.6638 -16.6638 -16.4164 -16.4164 -6.3012 -6.3012 -5.9849 -5.9849
-3.1086 -3.1086 -2.9939 -2.9939 -2.9583 -2.9583 -2.9388 -2.9388
-2.7492 -2.7492 -2.6539 -2.6539 -2.6393 -2.6393 -2.5887 -2.5887
-2.5779 -2.5779 -2.5628 -2.5628 -1.7041 -1.7041 -1.1993 -1.1993
-0.9648 -0.9648 -0.9432 -0.9432 -0.2915 -0.2915 -0.2725 -0.2725
2.9312 2.9312 3.0927 3.0927 3.4370 3.4370 3.4665 3.4665
4.3168 4.3168 4.3484 4.3484 5.5033 5.5033 5.8715 5.8715
5.8871 5.8871 7.0909 7.0912
k = 0.5000 0.2887 0.3377 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1330 -6.1330 -6.0417 -6.0417
-3.0381 -3.0381 -2.9876 -2.9876 -2.9345 -2.9345 -2.9097 -2.9097
-2.7083 -2.7083 -2.6650 -2.6650 -2.5976 -2.5976 -2.5775 -2.5775
-2.4856 -2.4856 -2.4377 -2.4377 -1.7997 -1.7997 -1.7472 -1.7472
-1.1942 -1.1942 -0.6588 -0.6588 -0.4242 -0.4242 -0.2585 -0.2585
1.6656 1.6656 1.9483 1.9483 3.2470 3.2470 3.8329 3.8329
4.0624 4.0624 5.2918 5.2918 6.5045 6.5045 6.6475 6.6475
6.8110 6.8110 6.8298 6.8298
k = 0.5000 0.2887 0.3216 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1328 -6.1328 -6.0417 -6.0417
-3.0383 -3.0383 -2.9878 -2.9878 -2.9345 -2.9345 -2.9098 -2.9098
-2.7085 -2.7085 -2.6651 -2.6651 -2.5976 -2.5976 -2.5776 -2.5776
-2.4857 -2.4857 -2.4380 -2.4380 -1.8006 -1.8006 -1.7479 -1.7479
-1.1942 -1.1942 -0.6576 -0.6576 -0.4232 -0.4232 -0.2585 -0.2585
1.6662 1.6662 1.9494 1.9494 3.2476 3.2476 3.8324 3.8324
4.0639 4.0639 5.2899 5.2899 6.5021 6.5021 6.6476 6.6476
6.7902 6.7902 6.8481 6.8481
k = 0.5000 0.2887 0.3055 ( 6542 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1322 -6.1322 -6.0414 -6.0414
-3.0386 -3.0386 -2.9882 -2.9882 -2.9345 -2.9345 -2.9098 -2.9098
-2.7089 -2.7089 -2.6653 -2.6653 -2.5976 -2.5976 -2.5777 -2.5777
-2.4858 -2.4858 -2.4388 -2.4388 -1.8033 -1.8033 -1.7500 -1.7500
-1.1945 -1.1945 -0.6540 -0.6540 -0.4200 -0.4200 -0.2583 -0.2583
1.6678 1.6678 1.9527 1.9527 3.2494 3.2494 3.8308 3.8308
4.0684 4.0684 5.2842 5.2842 6.4948 6.4948 6.6481 6.6481
6.7611 6.7611 6.8697 6.8697
k = 0.5000 0.2887 0.2894 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1314 -6.1314 -6.0411 -6.0411
-3.0390 -3.0390 -2.9890 -2.9890 -2.9346 -2.9346 -2.9097 -2.9097
-2.7096 -2.7096 -2.6656 -2.6656 -2.5975 -2.5975 -2.5779 -2.5779
-2.4860 -2.4860 -2.4401 -2.4401 -1.8075 -1.8075 -1.7534 -1.7534
-1.1949 -1.1949 -0.6481 -0.6481 -0.4147 -0.4147 -0.2581 -0.2581
1.6705 1.6705 1.9581 1.9581 3.2524 3.2524 3.8282 3.8282
4.0759 4.0759 5.2751 5.2751 6.4827 6.4827 6.6488 6.6488
6.7313 6.7313 6.8867 6.8867
k = 0.5000 0.2887 0.2734 ( 6526 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1302 -6.1302 -6.0406 -6.0406
-3.0397 -3.0397 -2.9901 -2.9901 -2.9346 -2.9346 -2.9097 -2.9097
-2.7106 -2.7106 -2.6660 -2.6660 -2.5974 -2.5974 -2.5783 -2.5783
-2.4863 -2.4863 -2.4419 -2.4419 -1.8132 -1.8132 -1.7582 -1.7582
-1.1955 -1.1955 -0.6401 -0.6401 -0.4076 -0.4076 -0.2579 -0.2579
1.6743 1.6743 1.9655 1.9655 3.2565 3.2565 3.8247 3.8247
4.0861 4.0861 5.2626 5.2626 6.4656 6.4656 6.6498 6.6498
6.7017 6.7017 6.8974 6.8974
k = 0.5000 0.2887 0.2573 ( 6520 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1287 -6.1287 -6.0399 -6.0399
-3.0405 -3.0405 -2.9915 -2.9915 -2.9347 -2.9347 -2.9097 -2.9097
-2.7119 -2.7119 -2.6665 -2.6665 -2.5973 -2.5973 -2.5787 -2.5787
-2.4866 -2.4866 -2.4441 -2.4441 -1.8198 -1.8198 -1.7642 -1.7642
-1.1961 -1.1961 -0.6303 -0.6303 -0.3989 -0.3989 -0.2575 -0.2575
1.6792 1.6792 1.9748 1.9748 3.2617 3.2617 3.8201 3.8201
4.0990 4.0990 5.2473 5.2473 6.4437 6.4437 6.6506 6.6506
6.6731 6.6731 6.9014 6.9014
k = 0.5000 0.2887 0.2412 ( 6518 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1269 -6.1269 -6.0392 -6.0392
-3.0416 -3.0416 -2.9932 -2.9932 -2.9348 -2.9348 -2.9096 -2.9096
-2.7134 -2.7134 -2.6671 -2.6671 -2.5972 -2.5972 -2.5792 -2.5792
-2.4870 -2.4870 -2.4467 -2.4467 -1.8273 -1.8273 -1.7713 -1.7713
-1.1970 -1.1970 -0.6191 -0.6191 -0.3887 -0.3887 -0.2571 -0.2571
1.6850 1.6850 1.9857 1.9857 3.2679 3.2679 3.8147 3.8147
4.1142 4.1142 5.2296 5.2296 6.4174 6.4174 6.6420 6.6420
6.6548 6.6548 6.8990 6.8990
k = 0.5000 0.2887 0.2251 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4971 -16.4971 -6.1249 -6.1249 -6.0384 -6.0384
-3.0427 -3.0427 -2.9952 -2.9952 -2.9349 -2.9349 -2.9096 -2.9096
-2.7152 -2.7152 -2.6679 -2.6679 -2.5971 -2.5971 -2.5798 -2.5798
-2.4876 -2.4876 -2.4495 -2.4495 -1.8352 -1.8352 -1.7793 -1.7793
-1.1979 -1.1979 -0.6066 -0.6066 -0.3775 -0.3775 -0.2567 -0.2567
1.6919 1.6919 1.9980 1.9980 3.2751 3.2751 3.8083 3.8083
4.1316 4.1316 5.2099 5.2099 6.3874 6.3874 6.6153 6.6153
6.6552 6.6552 6.8914 6.8914
k = 0.5000 0.2887 0.2090 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1228 -6.1228 -6.0375 -6.0375
-3.0439 -3.0439 -2.9975 -2.9975 -2.9350 -2.9350 -2.9096 -2.9096
-2.7171 -2.7171 -2.6687 -2.6687 -2.5970 -2.5970 -2.5804 -2.5804
-2.4881 -2.4881 -2.4526 -2.4526 -1.8433 -1.8433 -1.7881 -1.7881
-1.1989 -1.1989 -0.5934 -0.5934 -0.3655 -0.3655 -0.2562 -0.2562
1.6996 1.6996 2.0115 2.0115 3.2832 3.2832 3.8012 3.8012
4.1507 4.1507 5.1890 5.1890 6.3545 6.3545 6.5874 6.5874
6.6568 6.6568 6.8800 6.8800
k = 0.5000 0.2887 0.1930 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1204 -6.1204 -6.0366 -6.0366
-3.0452 -3.0452 -3.0000 -3.0000 -2.9351 -2.9351 -2.9096 -2.9096
-2.7192 -2.7192 -2.6696 -2.6696 -2.5968 -2.5968 -2.5811 -2.5811
-2.4887 -2.4887 -2.4557 -2.4557 -1.8514 -1.8514 -1.7974 -1.7974
-1.2000 -1.2000 -0.5797 -0.5797 -0.3530 -0.3530 -0.2557 -0.2557
1.7080 1.7080 2.0260 2.0260 3.2920 3.2920 3.7934 3.7934
4.1711 4.1711 5.1673 5.1673 6.3196 6.3196 6.5590 6.5590
6.6585 6.6585 6.8658 6.8658
k = 0.5000 0.2887 0.1769 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1180 -6.1180 -6.0357 -6.0357
-3.0465 -3.0465 -3.0028 -3.0028 -2.9352 -2.9352 -2.9096 -2.9096
-2.7214 -2.7214 -2.6705 -2.6705 -2.5967 -2.5967 -2.5818 -2.5818
-2.4892 -2.4892 -2.4588 -2.4588 -1.8591 -1.8591 -1.8070 -1.8070
-1.2011 -1.2011 -0.5659 -0.5659 -0.3403 -0.3403 -0.2552 -0.2552
1.7171 1.7171 2.0410 2.0410 3.3015 3.3015 3.7850 3.7850
4.1925 4.1925 5.1455 5.1455 6.2838 6.2838 6.5299 6.5299
6.6604 6.6604 6.8502 6.8502
k = 0.5000 0.2887 0.1608 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1155 -6.1155 -6.0347 -6.0347
-3.0478 -3.0478 -3.0057 -3.0057 -2.9353 -2.9353 -2.9096 -2.9096
-2.7237 -2.7237 -2.6714 -2.6714 -2.5965 -2.5965 -2.5825 -2.5825
-2.4898 -2.4898 -2.4619 -2.4619 -1.8665 -1.8665 -1.8167 -1.8167
-1.2022 -1.2022 -0.5523 -0.5523 -0.3278 -0.3278 -0.2547 -0.2547
1.7267 1.7267 2.0562 2.0562 3.3114 3.3114 3.7761 3.7761
4.2143 4.2143 5.1243 5.1243 6.2479 6.2479 6.4998 6.4998
6.6622 6.6622 6.8339 6.8339
k = 0.5000 0.2887 0.1447 ( 6558 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1130 -6.1130 -6.0338 -6.0338
-3.0490 -3.0490 -3.0089 -3.0089 -2.9354 -2.9354 -2.9096 -2.9096
-2.7259 -2.7259 -2.6723 -2.6723 -2.5964 -2.5964 -2.5832 -2.5832
-2.4904 -2.4904 -2.4649 -2.4649 -1.8732 -1.8732 -1.8264 -1.8264
-1.2033 -1.2033 -0.5392 -0.5392 -0.3156 -0.3156 -0.2542 -0.2542
1.7365 1.7365 2.0714 2.0714 3.3217 3.3217 3.7668 3.7668
4.2360 4.2360 5.1040 5.1040 6.2128 6.2128 6.4690 6.4690
6.6639 6.6639 6.8176 6.8176
k = 0.5000 0.2887 0.1286 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1106 -6.1106 -6.0330 -6.0330
-3.0501 -3.0501 -3.0120 -3.0120 -2.9354 -2.9354 -2.9096 -2.9096
-2.7280 -2.7280 -2.6731 -2.6731 -2.5962 -2.5962 -2.5838 -2.5838
-2.4909 -2.4909 -2.4676 -2.4676 -1.8792 -1.8792 -1.8356 -1.8356
-1.2043 -1.2043 -0.5268 -0.5268 -0.3040 -0.3040 -0.2537 -0.2537
1.7462 1.7462 2.0862 2.0862 3.3320 3.3320 3.7575 3.7575
4.2570 4.2570 5.0853 5.0853 6.1794 6.1794 6.4379 6.4379
6.6655 6.6655 6.8020 6.8020
k = 0.5000 0.2887 0.1126 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1082 -6.1082 -6.0322 -6.0322
-3.0512 -3.0512 -3.0151 -3.0151 -2.9355 -2.9355 -2.9096 -2.9096
-2.7301 -2.7301 -2.6739 -2.6739 -2.5960 -2.5960 -2.5845 -2.5845
-2.4914 -2.4914 -2.4702 -2.4702 -1.8844 -1.8844 -1.8445 -1.8445
-1.2053 -1.2053 -0.5155 -0.5155 -0.2933 -0.2933 -0.2532 -0.2532
1.7558 1.7558 2.1003 2.1003 3.3422 3.3422 3.7482 3.7482
4.2768 4.2768 5.0686 5.0686 6.1485 6.1485 6.4069 6.4069
6.6669 6.6669 6.7875 6.7875
k = 0.5000 0.2887 0.0965 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4972 -16.4972 -6.1061 -6.1061 -6.0314 -6.0314
-3.0520 -3.0520 -3.0182 -3.0182 -2.9355 -2.9355 -2.9096 -2.9096
-2.7320 -2.7320 -2.6747 -2.6747 -2.5959 -2.5959 -2.5851 -2.5851
-2.4918 -2.4918 -2.4724 -2.4724 -1.8888 -1.8888 -1.8526 -1.8526
-1.2062 -1.2062 -0.5052 -0.5052 -0.2837 -0.2837 -0.2527 -0.2527
1.7647 1.7647 2.1132 2.1132 3.3521 3.3521 3.7392 3.7392
4.2950 4.2950 5.0540 5.0540 6.1206 6.1206 6.3768 6.3768
6.6682 6.6682 6.7743 6.7743
k = 0.5000 0.2887 0.0804 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.1042 -6.1042 -6.0308 -6.0308
-3.0527 -3.0527 -3.0210 -3.0210 -2.9356 -2.9356 -2.9096 -2.9096
-2.7337 -2.7337 -2.6753 -2.6753 -2.5958 -2.5958 -2.5856 -2.5856
-2.4922 -2.4922 -2.4744 -2.4744 -1.8923 -1.8923 -1.8600 -1.8600
-1.2071 -1.2071 -0.4963 -0.4963 -0.2752 -0.2752 -0.2524 -0.2524
1.7729 1.7729 2.1248 2.1248 3.3612 3.3612 3.7308 3.7308
4.3110 4.3110 5.0419 5.0419 6.0964 6.0964 6.3487 6.3487
6.6693 6.6693 6.7629 6.7629
k = 0.5000 0.2887 0.0643 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.1025 -6.1025 -6.0303 -6.0303
-3.0532 -3.0532 -3.0236 -3.0236 -2.9357 -2.9357 -2.9096 -2.9096
-2.7352 -2.7352 -2.6759 -2.6759 -2.5957 -2.5957 -2.5860 -2.5860
-2.4925 -2.4925 -2.4760 -2.4760 -1.8950 -1.8950 -1.8664 -1.8664
-1.2077 -1.2077 -0.4888 -0.4888 -0.2681 -0.2681 -0.2520 -0.2520
1.7800 1.7800 2.1347 2.1347 3.3693 3.3693 3.7233 3.7233
4.3245 4.3245 5.0322 5.0322 6.0764 6.0764 6.3235 6.3235
6.6702 6.6702 6.7533 6.7533
k = 0.5000 0.2887 0.0482 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.1012 -6.1012 -6.0299 -6.0299
-3.0536 -3.0536 -3.0258 -3.0258 -2.9357 -2.9357 -2.9096 -2.9096
-2.7363 -2.7363 -2.6763 -2.6763 -2.5956 -2.5956 -2.5864 -2.5864
-2.4928 -2.4928 -2.4773 -2.4773 -1.8969 -1.8969 -1.8717 -1.8717
-1.2083 -1.2083 -0.4829 -0.4829 -0.2625 -0.2625 -0.2518 -0.2518
1.7858 1.7858 2.1427 2.1427 3.3761 3.3761 3.7170 3.7170
4.3352 4.3352 5.0249 5.0249 6.0607 6.0607 6.3023 6.3023
6.6708 6.6708 6.7457 6.7457
k = 0.5000 0.2887 0.0322 ( 6538 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.1002 -6.1002 -6.0296 -6.0296
-3.0538 -3.0538 -3.0274 -3.0274 -2.9357 -2.9357 -2.9095 -2.9095
-2.7372 -2.7372 -2.6767 -2.6767 -2.5956 -2.5956 -2.5866 -2.5866
-2.4929 -2.4929 -2.4782 -2.4782 -1.8981 -1.8981 -1.8757 -1.8757
-1.2087 -1.2087 -0.4787 -0.4787 -0.2584 -0.2584 -0.2516 -0.2516
1.7902 1.7902 2.1485 2.1485 3.3812 3.3812 3.7122 3.7122
4.3429 4.3429 5.0199 5.0199 6.0496 6.0496 6.2862 6.2862
6.6713 6.6713 6.7403 6.7403
k = 0.5000 0.2887 0.0161 ( 6536 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3300 -19.3300 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.0996 -6.0996 -6.0294 -6.0294
-3.0539 -3.0539 -3.0284 -3.0284 -2.9357 -2.9357 -2.9095 -2.9095
-2.7377 -2.7377 -2.6769 -2.6769 -2.5955 -2.5955 -2.5868 -2.5868
-2.4930 -2.4930 -2.4788 -2.4788 -1.8987 -1.8987 -1.8782 -1.8782
-1.2090 -1.2090 -0.4761 -0.4761 -0.2559 -0.2559 -0.2515 -0.2515
1.7928 1.7928 2.1521 2.1521 3.3844 3.3844 3.7093 3.7093
4.3476 4.3476 5.0169 5.0169 6.0429 6.0429 6.2762 6.2762
6.6716 6.6716 6.7370 6.7370
k = 0.5000 0.2887-0.0000 ( 6532 PWs) bands (ev):
-38.5088 -38.5088 -19.7103 -19.7103 -19.3299 -19.3299 -19.3274 -19.3274
-16.5797 -16.5797 -16.4973 -16.4973 -6.0994 -6.0994 -6.0293 -6.0293
-3.0539 -3.0539 -3.0288 -3.0288 -2.9357 -2.9357 -2.9095 -2.9095
-2.7379 -2.7379 -2.6770 -2.6770 -2.5955 -2.5955 -2.5868 -2.5868
-2.4931 -2.4931 -2.4789 -2.4789 -1.8988 -1.8988 -1.8791 -1.8791
-1.2090 -1.2090 -0.4752 -0.4752 -0.2551 -0.2551 -0.2514 -0.2514
1.7937 1.7937 2.1533 2.1533 3.3855 3.3855 3.7082 3.7082
4.3492 4.3492 5.0159 5.0159 6.0407 6.0407 6.2728 6.2728
6.6717 6.6717 6.7359 6.7359
k = 0.3333 0.5774-0.0000 ( 6525 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0581 -6.0581 -6.0577 -6.0577
-3.0468 -3.0468 -3.0237 -3.0237 -2.9372 -2.9372 -2.9140 -2.9140
-2.7034 -2.7034 -2.6831 -2.6831 -2.6145 -2.6145 -2.5495 -2.5495
-2.5103 -2.5103 -2.4407 -2.4407 -1.8618 -1.8618 -1.8529 -1.8529
-1.4321 -1.4321 -0.3342 -0.3342 -0.3178 -0.3178 -0.2935 -0.2935
1.9715 1.9715 1.9818 1.9818 2.8114 2.8114 3.1402 3.1402
5.8340 5.8340 5.8551 5.8551 6.2063 6.2063 6.2190 6.2190
6.4298 6.4298 6.9335 6.9355
k = 0.3333 0.5774 0.0161 ( 6543 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0582 -6.0582 -6.0578 -6.0578
-3.0466 -3.0466 -3.0235 -3.0235 -2.9373 -2.9373 -2.9140 -2.9140
-2.7033 -2.7033 -2.6831 -2.6831 -2.6146 -2.6146 -2.5495 -2.5495
-2.5103 -2.5103 -2.4407 -2.4407 -1.8613 -1.8613 -1.8524 -1.8524
-1.4318 -1.4318 -0.3350 -0.3350 -0.3185 -0.3185 -0.2939 -0.2939
1.9706 1.9706 1.9809 1.9809 2.8064 2.8064 3.1460 3.1460
5.8265 5.8265 5.8476 5.8476 6.2156 6.2156 6.2284 6.2284
6.4304 6.4304 6.9352 6.9358
k = 0.3333 0.5774 0.0322 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0586 -6.0586 -6.0582 -6.0582
-3.0460 -3.0460 -3.0229 -3.0229 -2.9373 -2.9373 -2.9140 -2.9140
-2.7028 -2.7028 -2.6829 -2.6829 -2.6146 -2.6146 -2.5494 -2.5494
-2.5099 -2.5099 -2.4404 -2.4404 -1.8599 -1.8599 -1.8511 -1.8511
-1.4307 -1.4307 -0.3370 -0.3370 -0.3204 -0.3204 -0.2950 -0.2950
1.9678 1.9678 1.9781 1.9781 2.7924 2.7924 3.1623 3.1623
5.8063 5.8063 5.8272 5.8272 6.2412 6.2412 6.2543 6.2543
6.4321 6.4321 6.9336 6.9354
k = 0.3333 0.5774 0.0482 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0592 -6.0592 -6.0588 -6.0588
-3.0451 -3.0451 -3.0220 -3.0220 -2.9372 -2.9372 -2.9140 -2.9140
-2.7020 -2.7020 -2.6827 -2.6827 -2.6147 -2.6147 -2.5493 -2.5493
-2.5092 -2.5092 -2.4401 -2.4401 -1.8576 -1.8576 -1.8488 -1.8488
-1.4291 -1.4291 -0.3405 -0.3405 -0.3237 -0.3237 -0.2969 -0.2969
1.9633 1.9633 1.9736 1.9736 2.7719 2.7719 3.1868 3.1868
5.7776 5.7776 5.7986 5.7986 6.2783 6.2783 6.2916 6.2916
6.4349 6.4349 6.9352 6.9374
k = 0.3333 0.5774 0.0643 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0601 -6.0601 -6.0597 -6.0597
-3.0438 -3.0438 -3.0207 -3.0207 -2.9372 -2.9372 -2.9140 -2.9140
-2.7009 -2.7009 -2.6824 -2.6824 -2.6149 -2.6149 -2.5491 -2.5491
-2.5083 -2.5083 -2.4396 -2.4396 -1.8544 -1.8544 -1.8456 -1.8456
-1.4268 -1.4268 -0.3453 -0.3453 -0.3283 -0.3283 -0.2995 -0.2995
1.9571 1.9571 1.9673 1.9673 2.7472 2.7472 3.2169 3.2169
5.7446 5.7446 5.7657 5.7657 6.3222 6.3222 6.3357 6.3357
6.4388 6.4388 6.9384 6.9386
k = 0.3333 0.5774 0.0804 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5383 -16.5383 -16.5382 -16.5382 -6.0611 -6.0611 -6.0608 -6.0608
-3.0423 -3.0423 -3.0192 -3.0192 -2.9372 -2.9372 -2.9140 -2.9140
-2.6996 -2.6996 -2.6820 -2.6820 -2.6151 -2.6151 -2.5490 -2.5490
-2.5071 -2.5071 -2.4390 -2.4390 -1.8504 -1.8504 -1.8416 -1.8416
-1.4239 -1.4239 -0.3513 -0.3513 -0.3341 -0.3341 -0.3027 -0.3027
1.9495 1.9495 1.9596 1.9596 2.7203 2.7203 3.2506 3.2506
5.7100 5.7100 5.7312 5.7312 6.3689 6.3689 6.3825 6.3825
6.4436 6.4436 6.9461 6.9463
k = 0.3333 0.5774 0.0965 ( 6552 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0624 -6.0624 -6.0620 -6.0620
-3.0405 -3.0405 -3.0174 -3.0174 -2.9372 -2.9372 -2.9140 -2.9140
-2.6981 -2.6981 -2.6816 -2.6816 -2.6154 -2.6154 -2.5488 -2.5488
-2.5058 -2.5058 -2.4383 -2.4383 -1.8455 -1.8455 -1.8368 -1.8368
-1.4205 -1.4205 -0.3584 -0.3584 -0.3411 -0.3411 -0.3065 -0.3065
1.9406 1.9406 1.9506 1.9506 2.6924 2.6924 3.2865 3.2865
5.6755 5.6755 5.6970 5.6970 6.4153 6.4153 6.4287 6.4287
6.4496 6.4496 6.9542 6.9542
k = 0.3333 0.5774 0.1126 ( 6546 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0638 -6.0638 -6.0634 -6.0634
-3.0385 -3.0385 -3.0153 -3.0153 -2.9372 -2.9372 -2.9140 -2.9140
-2.6963 -2.6963 -2.6810 -2.6810 -2.6157 -2.6157 -2.5486 -2.5486
-2.5042 -2.5042 -2.4374 -2.4374 -1.8399 -1.8399 -1.8313 -1.8313
-1.4166 -1.4166 -0.3666 -0.3666 -0.3491 -0.3491 -0.3107 -0.3107
1.9306 1.9306 1.9406 1.9406 2.6646 2.6646 3.3234 3.3234
5.6420 5.6420 5.6638 5.6638 6.4556 6.4556 6.4589 6.4589
6.4727 6.4727 6.9700 6.9702
k = 0.3333 0.5774 0.1286 ( 6552 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0653 -6.0653 -6.0649 -6.0649
-3.0363 -3.0363 -3.0132 -3.0132 -2.9372 -2.9372 -2.9140 -2.9140
-2.6944 -2.6944 -2.6805 -2.6805 -2.6160 -2.6160 -2.5484 -2.5484
-2.5024 -2.5024 -2.4365 -2.4365 -1.8337 -1.8337 -1.8251 -1.8251
-1.4124 -1.4124 -0.3757 -0.3757 -0.3581 -0.3581 -0.3152 -0.3152
1.9198 1.9198 1.9297 1.9297 2.6373 2.6373 3.3607 3.3607
5.6102 5.6102 5.6324 5.6324 6.4630 6.4630 6.4973 6.4973
6.5105 6.5105 6.9915 6.9916
k = 0.3333 0.5774 0.1447 ( 6555 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3297 -19.3297 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0669 -6.0669 -6.0665 -6.0665
-3.0341 -3.0341 -3.0110 -3.0110 -2.9372 -2.9372 -2.9140 -2.9140
-2.6923 -2.6923 -2.6800 -2.6800 -2.6163 -2.6163 -2.5482 -2.5482
-2.5004 -2.5004 -2.4355 -2.4355 -1.8269 -1.8269 -1.8184 -1.8184
-1.4079 -1.4079 -0.3855 -0.3855 -0.3678 -0.3678 -0.3200 -0.3200
1.9085 1.9085 1.9183 1.9183 2.6112 2.6112 3.3975 3.3975
5.5804 5.5804 5.6030 5.6030 6.4709 6.4709 6.5290 6.5290
6.5414 6.5414 7.0201 7.0207
k = 0.3333 0.5774 0.1608 ( 6525 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0685 -6.0685 -6.0682 -6.0682
-3.0318 -3.0318 -3.0086 -3.0086 -2.9371 -2.9371 -2.9140 -2.9140
-2.6901 -2.6901 -2.6793 -2.6793 -2.6166 -2.6166 -2.5480 -2.5480
-2.4983 -2.4983 -2.4345 -2.4345 -1.8197 -1.8197 -1.8113 -1.8113
-1.4032 -1.4032 -0.3959 -0.3959 -0.3781 -0.3781 -0.3250 -0.3250
1.8969 1.8969 1.9066 1.9066 2.5864 2.5864 3.4335 3.4335
5.5529 5.5529 5.5759 5.5759 6.4791 6.4791 6.5533 6.5533
6.5649 6.5649 7.0562 7.0565
k = 0.3333 0.5774 0.1769 ( 6510 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0702 -6.0702 -6.0698 -6.0698
-3.0295 -3.0295 -3.0064 -3.0064 -2.9370 -2.9370 -2.9139 -2.9139
-2.6879 -2.6879 -2.6787 -2.6787 -2.6169 -2.6169 -2.5478 -2.5478
-2.4961 -2.4961 -2.4334 -2.4334 -1.8122 -1.8122 -1.8038 -1.8038
-1.3984 -1.3984 -0.4065 -0.4065 -0.3887 -0.3887 -0.3300 -0.3300
1.8853 1.8853 1.8949 1.8949 2.5632 2.5632 3.4680 3.4680
5.5277 5.5277 5.5512 5.5512 6.4875 6.4875 6.5707 6.5707
6.5814 6.5814 7.0985 7.0999
k = 0.3333 0.5774 0.1930 ( 6510 PWs) bands (ev):
-38.5088 -38.5088 -19.7104 -19.7104 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0719 -6.0719 -6.0715 -6.0715
-3.0273 -3.0273 -3.0042 -3.0042 -2.9370 -2.9370 -2.9139 -2.9139
-2.6857 -2.6857 -2.6782 -2.6782 -2.6173 -2.6173 -2.5476 -2.5476
-2.4940 -2.4940 -2.4323 -2.4323 -1.8045 -1.8045 -1.7962 -1.7962
-1.3936 -1.3936 -0.4173 -0.4173 -0.3995 -0.3995 -0.3351 -0.3351
1.8740 1.8740 1.8835 1.8835 2.5419 2.5419 3.5007 3.5007
5.5050 5.5050 5.5288 5.5288 6.4959 6.4959 6.5821 6.5821
6.5920 6.5920 7.1453 7.1459
k = 0.3333 0.5774 0.2090 ( 6528 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0735 -6.0735 -6.0731 -6.0731
-3.0252 -3.0252 -3.0022 -3.0022 -2.9370 -2.9370 -2.9140 -2.9140
-2.6837 -2.6837 -2.6777 -2.6777 -2.6176 -2.6176 -2.5475 -2.5475
-2.4919 -2.4919 -2.4313 -2.4313 -1.7969 -1.7969 -1.7887 -1.7887
-1.3889 -1.3889 -0.4280 -0.4280 -0.4102 -0.4102 -0.3400 -0.3400
1.8631 1.8631 1.8726 1.8726 2.5225 2.5225 3.5312 3.5312
5.4847 5.4847 5.5089 5.5089 6.5041 6.5041 6.5891 6.5891
6.5982 6.5982 7.1943 7.1956
k = 0.3333 0.5774 0.2251 ( 6540 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0750 -6.0750 -6.0746 -6.0746
-3.0234 -3.0234 -3.0003 -3.0003 -2.9370 -2.9370 -2.9140 -2.9140
-2.6818 -2.6818 -2.6773 -2.6773 -2.6180 -2.6180 -2.5475 -2.5475
-2.4899 -2.4899 -2.4303 -2.4303 -1.7895 -1.7895 -1.7814 -1.7814
-1.3845 -1.3845 -0.4383 -0.4383 -0.4205 -0.4205 -0.3446 -0.3446
1.8529 1.8529 1.8623 1.8623 2.5052 2.5052 3.5591 3.5591
5.4669 5.4669 5.4914 5.4914 6.5120 6.5120 6.5927 6.5927
6.6014 6.6014 7.2436 7.2442
k = 0.3333 0.5774 0.2412 ( 6537 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0764 -6.0764 -6.0760 -6.0760
-3.0216 -3.0216 -2.9986 -2.9986 -2.9369 -2.9369 -2.9140 -2.9140
-2.6800 -2.6800 -2.6768 -2.6768 -2.6183 -2.6183 -2.5474 -2.5474
-2.4879 -2.4879 -2.4294 -2.4294 -1.7826 -1.7826 -1.7745 -1.7745
-1.3804 -1.3804 -0.4479 -0.4479 -0.4301 -0.4301 -0.3489 -0.3489
1.8437 1.8437 1.8531 1.8531 2.4901 2.4901 3.5840 3.5840
5.4515 5.4515 5.4763 5.4763 6.5193 6.5193 6.5943 6.5943
6.6025 6.6025 7.2912 7.2924
k = 0.3333 0.5774 0.2573 ( 6531 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0776 -6.0776 -6.0772 -6.0772
-3.0201 -3.0201 -2.9971 -2.9971 -2.9369 -2.9369 -2.9140 -2.9140
-2.6784 -2.6784 -2.6764 -2.6764 -2.6185 -2.6185 -2.5473 -2.5473
-2.4862 -2.4862 -2.4285 -2.4285 -1.7763 -1.7763 -1.7682 -1.7682
-1.3767 -1.3767 -0.4565 -0.4565 -0.4388 -0.4388 -0.3527 -0.3527
1.8356 1.8356 1.8449 1.8449 2.4771 2.4771 3.6057 3.6057
5.4385 5.4385 5.4635 5.4635 6.5258 6.5258 6.5945 6.5945
6.6024 6.6024 7.3352 7.3357
k = 0.3333 0.5774 0.2734 ( 6537 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0786 -6.0786 -6.0782 -6.0782
-3.0189 -3.0189 -2.9959 -2.9959 -2.9369 -2.9369 -2.9140 -2.9140
-2.6771 -2.6771 -2.6761 -2.6761 -2.6187 -2.6187 -2.5472 -2.5472
-2.4848 -2.4848 -2.4278 -2.4278 -1.7708 -1.7708 -1.7628 -1.7628
-1.3736 -1.3736 -0.4640 -0.4640 -0.4464 -0.4464 -0.3560 -0.3560
1.8287 1.8287 1.8380 1.8380 2.4665 2.4665 3.6238 3.6238
5.4279 5.4279 5.4532 5.4532 6.5314 6.5314 6.5940 6.5940
6.6017 6.6017 7.3746 7.3791
k = 0.3333 0.5774 0.2894 ( 6543 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0794 -6.0794 -6.0790 -6.0790
-3.0179 -3.0179 -2.9949 -2.9949 -2.9369 -2.9369 -2.9141 -2.9141
-2.6760 -2.6760 -2.6759 -2.6759 -2.6190 -2.6190 -2.5472 -2.5472
-2.4836 -2.4836 -2.4273 -2.4273 -1.7663 -1.7663 -1.7583 -1.7583
-1.3710 -1.3710 -0.4701 -0.4701 -0.4525 -0.4525 -0.3586 -0.3586
1.8232 1.8232 1.8325 1.8325 2.4582 2.4582 3.6381 3.6381
5.4197 5.4197 5.4451 5.4451 6.5359 6.5359 6.5932 6.5932
6.6008 6.6008 7.4074 7.4084
k = 0.3333 0.5774 0.3055 ( 6543 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0800 -6.0800 -6.0796 -6.0796
-3.0171 -3.0171 -2.9942 -2.9942 -2.9369 -2.9369 -2.9141 -2.9141
-2.6757 -2.6757 -2.6752 -2.6752 -2.6191 -2.6191 -2.5472 -2.5472
-2.4827 -2.4827 -2.4268 -2.4268 -1.7630 -1.7630 -1.7550 -1.7550
-1.3692 -1.3692 -0.4746 -0.4746 -0.4570 -0.4570 -0.3606 -0.3606
1.8193 1.8193 1.8285 1.8285 2.4522 2.4522 3.6485 3.6485
5.4139 5.4139 5.4394 5.4394 6.5392 6.5392 6.5924 6.5924
6.5999 6.5999 7.4311 7.4317
k = 0.3333 0.5774 0.3216 ( 6537 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0804 -6.0804 -6.0800 -6.0800
-3.0167 -3.0167 -2.9938 -2.9938 -2.9368 -2.9368 -2.9141 -2.9141
-2.6756 -2.6756 -2.6747 -2.6747 -2.6192 -2.6192 -2.5472 -2.5472
-2.4822 -2.4822 -2.4266 -2.4266 -1.7610 -1.7610 -1.7530 -1.7530
-1.3681 -1.3681 -0.4773 -0.4773 -0.4598 -0.4598 -0.3617 -0.3617
1.8169 1.8169 1.8261 1.8261 2.4486 2.4486 3.6548 3.6548
5.4104 5.4104 5.4360 5.4360 6.5413 6.5413 6.5919 6.5919
6.5993 6.5993 7.4466 7.4478
k = 0.3333 0.5774 0.3377 ( 6534 PWs) bands (ev):
-38.5088 -38.5088 -19.7105 -19.7105 -19.3296 -19.3296 -19.3281 -19.3281
-16.5382 -16.5382 -16.5382 -16.5382 -6.0805 -6.0805 -6.0801 -6.0801
-3.0165 -3.0165 -2.9936 -2.9936 -2.9368 -2.9368 -2.9141 -2.9141
-2.6756 -2.6756 -2.6746 -2.6746 -2.6192 -2.6192 -2.5471 -2.5471
-2.4820 -2.4820 -2.4265 -2.4265 -1.7603 -1.7603 -1.7523 -1.7523
-1.3677 -1.3677 -0.4782 -0.4782 -0.4607 -0.4607 -0.3621 -0.3621
1.8160 1.8160 1.8252 1.8252 2.4474 2.4474 3.6569 3.6569
5.4092 5.4092 5.4348 5.4348 6.5419 6.5419 6.5917 6.5917
6.5992 6.5992 7.4517 7.4543
Writing output data file CaZn2xPOx2.save
init_run : 0.58s CPU 1.07s WALL ( 1 calls)
electrons : 440.92s CPU 447.34s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.26s WALL ( 1 calls)
potinit : 0.03s CPU 0.07s WALL ( 1 calls)
Called by electrons:
c_bands : 440.92s CPU 447.33s WALL ( 1 calls)
v_of_rho : 0.00s 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 : 0.15s CPU 0.19s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.10s CPU 0.12s WALL ( 268 calls)
cegterg : 421.46s CPU 426.11s WALL ( 926 calls)
Called by sum_band:
Called by *egterg:
h_psi : 197.81s CPU 200.70s WALL ( 17210 calls)
s_psi : 16.53s CPU 16.53s WALL ( 17210 calls)
g_psi : 0.67s CPU 0.65s WALL ( 16016 calls)
cdiaghg : 163.21s CPU 164.73s WALL ( 16284 calls)
cegterg:over : 20.16s CPU 20.50s WALL ( 16016 calls)
cegterg:upda : 21.29s CPU 21.54s WALL ( 16016 calls)
cegterg:last : 7.37s CPU 7.50s WALL ( 1730 calls)
cdiaghg:chol : 9.56s CPU 9.58s WALL ( 16284 calls)
cdiaghg:inve : 6.65s CPU 6.76s WALL ( 16284 calls)
cdiaghg:para : 10.73s CPU 10.81s WALL ( 32568 calls)
Called by h_psi:
h_psi:vloc : 161.76s CPU 164.17s WALL ( 17210 calls)
h_psi:vnl : 35.23s CPU 35.74s WALL ( 17210 calls)
add_vuspsi : 18.11s CPU 18.47s WALL ( 17210 calls)
General routines
calbec : 17.04s CPU 17.22s WALL ( 17210 calls)
fft : 0.01s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 148.69s CPU 150.95s WALL ( 1420656 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.25s CPU 0.35s WALL ( 536 calls)
Parallel routines
fft_scatter : 48.69s CPU 49.30s WALL ( 1420679 calls)
PWSCF : 7m44.59s CPU 8m23.55s WALL
This run was terminated on: 16:36:28 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=