Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:38:22
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:
./NiB12.save/
file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 60 32 9 1863 708 110
Max 61 33 11 1867 731 113
Sum 2185 1159 337 67097 25893 4015
bravais-lattice index = 14
lattice parameter (alat) = 9.8681 a.u.
unit-cell volume = 679.4977 (a.u.)^3
number of atoms/cell = 13
number of atomic types = 2
number of electrons = 46.00
number of Kohn-Sham states= 56
kinetic-energy cutoff = 43.0000 Ry
charge density cutoff = 325.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.868118 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.577350 -0.408248 )
b(2) = ( 0.000000 1.154701 -0.408248 )
b(3) = ( 0.000000 0.000000 1.224745 )
PseudoPot. # 1 for Ni read from file:
/users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578
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 1195 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. # 2 for B read from file:
/users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e6935728e521ae6844adca162131706c
Pseudo is Ultrasoft + core correction, Zval = 3.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1059 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
atomic species valence mass pseudopotential
Ni 10.00 58.69340 Ni( 1.00)
B 3.00 10.81100 B( 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 )
( 1 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) = ( -1 1 0 )
( -1 0 0 )
( -1 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) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 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) = ( 0 -1 0 )
( -1 0 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) = ( -1 1 0 )
( 0 1 0 )
( 0 1 -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 )
( -1 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) = ( 1 -1 0 )
( 1 0 0 )
( 1 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) = ( 0 1 0 )
( -1 1 0 )
( 0 1 -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) = ( 0 1 0 )
( 1 0 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) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0034364
k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0034364
k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0034364
k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0034364
k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0034364
k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0034364
k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0034364
k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0034364
k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0034364
k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0034364
k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0034364
k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0034364
k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0034364
k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0034364
k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0034364
k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0034364
k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0034364
k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0034364
k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0034364
k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0034364
k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0034364
k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0034364
k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0034364
k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0034364
k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0034364
k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0034364
k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0034364
k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0034364
k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0034364
k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0034364
k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0034364
k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0034364
k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0034364
k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0034364
k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0034364
k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0034364
k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0034364
k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0034364
k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0034364
k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0034364
k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0034364
k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0034364
k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364
k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364
k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0034364
k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0034364
k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0034364
k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0034364
k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0034364
k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0034364
k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0034364
k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0034364
k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0034364
k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0034364
k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0034364
k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0034364
k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0034364
k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0034364
k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0034364
k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0034364
k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0034364
k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0034364
k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0034364
k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0034364
k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0034364
k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364
k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364
k( 69) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0034364
k( 70) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0034364
k( 71) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0034364
k( 72) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0034364
k( 73) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0034364
k( 74) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0034364
k( 75) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0034364
k( 76) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0034364
k( 77) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0034364
k( 78) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0034364
k( 79) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0034364
k( 80) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0034364
k( 81) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0034364
k( 82) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0034364
k( 83) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0034364
k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364
k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364
k( 86) = ( 0.3668478 0.2117997 0.5990600), wk = 0.0034364
k( 87) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0034364
k( 88) = ( 0.3505435 0.2023864 0.5724351), wk = 0.0034364
k( 89) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0034364
k( 90) = ( 0.3342391 0.1929731 0.5458102), wk = 0.0034364
k( 91) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0034364
k( 92) = ( 0.3179348 0.1835597 0.5191853), wk = 0.0034364
k( 93) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0034364
k( 94) = ( 0.3016304 0.1741464 0.4925604), wk = 0.0034364
k( 95) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0034364
k( 96) = ( 0.2853261 0.1647331 0.4659355), wk = 0.0034364
k( 97) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0034364
k( 98) = ( 0.2690217 0.1553198 0.4393107), wk = 0.0034364
k( 99) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0034364
k( 100) = ( 0.2527174 0.1459065 0.4126858), wk = 0.0034364
k( 101) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0034364
k( 102) = ( 0.2364130 0.1364931 0.3860609), wk = 0.0034364
k( 103) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0034364
k( 104) = ( 0.2201087 0.1270798 0.3594360), wk = 0.0034364
k( 105) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0034364
k( 106) = ( 0.2038043 0.1176665 0.3328111), wk = 0.0034364
k( 107) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0034364
k( 108) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0034364
k( 109) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0034364
k( 110) = ( 0.1711957 0.0988399 0.2795613), wk = 0.0034364
k( 111) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0034364
k( 112) = ( 0.1548913 0.0894265 0.2529364), wk = 0.0034364
k( 113) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0034364
k( 114) = ( 0.1385870 0.0800132 0.2263115), wk = 0.0034364
k( 115) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0034364
k( 116) = ( 0.1222826 0.0705999 0.1996867), wk = 0.0034364
k( 117) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0034364
k( 118) = ( 0.1059783 0.0611866 0.1730618), wk = 0.0034364
k( 119) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0034364
k( 120) = ( 0.0896739 0.0517733 0.1464369), wk = 0.0034364
k( 121) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0034364
k( 122) = ( 0.0733696 0.0423599 0.1198120), wk = 0.0034364
k( 123) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0034364
k( 124) = ( 0.0570652 0.0329466 0.0931871), wk = 0.0034364
k( 125) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0034364
k( 126) = ( 0.0407609 0.0235333 0.0665622), wk = 0.0034364
k( 127) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0034364
k( 128) = ( 0.0244565 0.0141200 0.0399373), wk = 0.0034364
k( 129) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0034364
k( 130) = ( 0.0081522 0.0047067 0.0133125), wk = 0.0034364
k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 133) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0034364
k( 134) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0034364
k( 135) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0034364
k( 136) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0034364
k( 137) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0034364
k( 138) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0034364
k( 139) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0034364
k( 140) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0034364
k( 141) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0034364
k( 142) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0034364
k( 143) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0034364
k( 144) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0034364
k( 145) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0034364
k( 146) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0034364
k( 147) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0034364
k( 148) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0034364
k( 149) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0034364
k( 150) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0034364
k( 151) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0034364
k( 152) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0034364
k( 153) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0034364
k( 154) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0034364
k( 155) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0034364
k( 156) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0034364
k( 157) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0034364
k( 158) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0034364
k( 159) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0034364
k( 160) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0034364
k( 161) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0034364
k( 162) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0034364
k( 163) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0034364
k( 164) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0034364
k( 165) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0034364
k( 166) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0034364
k( 167) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0034364
k( 168) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0034364
k( 169) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364
k( 170) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364
k( 171) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0034364
k( 172) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0034364
k( 173) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0034364
k( 174) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0034364
k( 175) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0034364
k( 176) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0034364
k( 177) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0034364
k( 178) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0034364
k( 179) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0034364
k( 180) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0034364
k( 181) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0034364
k( 182) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0034364
k( 183) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0034364
k( 184) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0034364
k( 185) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0034364
k( 186) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0034364
k( 187) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0034364
k( 188) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0034364
k( 189) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0034364
k( 190) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0034364
k( 191) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0034364
k( 192) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0034364
k( 193) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0034364
k( 194) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0034364
k( 195) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0034364
k( 196) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0034364
k( 197) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364
k( 198) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364
k( 199) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0034364
k( 200) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0034364
k( 201) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0034364
k( 202) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0034364
k( 203) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0034364
k( 204) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0034364
k( 205) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0034364
k( 206) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0034364
k( 207) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0034364
k( 208) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0034364
k( 209) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0034364
k( 210) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0034364
k( 211) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0034364
k( 212) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0034364
k( 213) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0034364
k( 214) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364
k( 215) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364
k( 216) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0034364
k( 217) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0034364
k( 218) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0034364
k( 219) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0034364
k( 220) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0034364
k( 221) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0034364
k( 222) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0034364
k( 223) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0034364
k( 224) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0034364
k( 225) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0034364
k( 226) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0034364
k( 227) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0034364
k( 228) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0034364
k( 229) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0034364
k( 230) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0034364
k( 231) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0034364
k( 232) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0034364
k( 233) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0034364
k( 234) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0034364
k( 235) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0034364
k( 236) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0034364
k( 237) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0034364
k( 238) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0034364
k( 239) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0034364
k( 240) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0034364
k( 241) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0034364
k( 242) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0034364
k( 243) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0034364
k( 244) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0034364
k( 245) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0034364
k( 246) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364
k( 247) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364
k( 248) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0034364
k( 249) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0034364
k( 250) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0034364
k( 251) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0034364
k( 252) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0034364
k( 253) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0034364
k( 254) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0034364
k( 255) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0034364
k( 256) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0034364
k( 257) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0034364
k( 258) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0034364
k( 259) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0034364
k( 260) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0034364
k( 261) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0034364
k( 262) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0034364
k( 263) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0034364
k( 264) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0034364
k( 265) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0034364
k( 266) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0034364
k( 267) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0034364
k( 268) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0034364
k( 269) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0034364
k( 270) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0034364
k( 271) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0034364
k( 272) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0034364
k( 273) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0034364
k( 274) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364
k( 275) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364
k( 276) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0034364
k( 277) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0034364
k( 278) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0034364
k( 279) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0034364
k( 280) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0034364
k( 281) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0034364
k( 282) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0034364
k( 283) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0034364
k( 284) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0034364
k( 285) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0034364
k( 286) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0034364
k( 287) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0034364
k( 288) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0034364
k( 289) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0034364
k( 290) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0034364
k( 291) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 2) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0034364
k( 3) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0034364
k( 4) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0034364
k( 5) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0034364
k( 6) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0034364
k( 7) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0034364
k( 8) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0034364
k( 9) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0034364
k( 10) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0034364
k( 11) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0034364
k( 12) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0034364
k( 13) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0034364
k( 14) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0034364
k( 15) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0034364
k( 16) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0034364
k( 17) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0034364
k( 18) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0034364
k( 19) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0034364
k( 20) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0034364
k( 21) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0034364
k( 22) = ( 0.2441860 -0.0000000 0.2441860), wk = 0.0034364
k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0034364
k( 24) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0034364
k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0034364
k( 26) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0034364
k( 27) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0034364
k( 28) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0034364
k( 29) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0034364
k( 30) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0034364
k( 31) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0034364
k( 32) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0034364
k( 33) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0034364
k( 34) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0034364
k( 35) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0034364
k( 36) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0034364
k( 37) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0034364
k( 38) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0034364
k( 39) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0034364
k( 40) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0034364
k( 41) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0034364
k( 42) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0034364
k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0034364
k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364
k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364
k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0034364
k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0034364
k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0034364
k( 49) = ( 0.5000000 0.0454546 0.5454546), wk = 0.0034364
k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0034364
k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0034364
k( 52) = ( 0.5000000 0.0795455 0.5795455), wk = 0.0034364
k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0034364
k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0034364
k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0034364
k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0034364
k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0034364
k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0034364
k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0034364
k( 60) = ( 0.5000000 0.1704546 0.6704545), wk = 0.0034364
k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0034364
k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0034364
k( 63) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0034364
k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0034364
k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0034364
k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0034364
k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364
k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364
k( 69) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0034364
k( 70) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0034364
k( 71) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0034364
k( 72) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0034364
k( 73) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0034364
k( 74) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0034364
k( 75) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0034364
k( 76) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0034364
k( 77) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0034364
k( 78) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0034364
k( 79) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0034364
k( 80) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0034364
k( 81) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0034364
k( 82) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0034364
k( 83) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0034364
k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364
k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364
k( 86) = ( 0.3668478 0.3668478 0.7336957), wk = 0.0034364
k( 87) = ( 0.3586956 0.3586957 0.7173913), wk = 0.0034364
k( 88) = ( 0.3505435 0.3505435 0.7010870), wk = 0.0034364
k( 89) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0034364
k( 90) = ( 0.3342391 0.3342391 0.6684783), wk = 0.0034364
k( 91) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0034364
k( 92) = ( 0.3179348 0.3179348 0.6358696), wk = 0.0034364
k( 93) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0034364
k( 94) = ( 0.3016304 0.3016304 0.6032609), wk = 0.0034364
k( 95) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0034364
k( 96) = ( 0.2853261 0.2853261 0.5706522), wk = 0.0034364
k( 97) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0034364
k( 98) = ( 0.2690217 0.2690217 0.5380435), wk = 0.0034364
k( 99) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0034364
k( 100) = ( 0.2527174 0.2527174 0.5054348), wk = 0.0034364
k( 101) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0034364
k( 102) = ( 0.2364130 0.2364130 0.4728261), wk = 0.0034364
k( 103) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0034364
k( 104) = ( 0.2201087 0.2201087 0.4402174), wk = 0.0034364
k( 105) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0034364
k( 106) = ( 0.2038043 0.2038043 0.4076087), wk = 0.0034364
k( 107) = ( 0.1956522 0.1956522 0.3913044), wk = 0.0034364
k( 108) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0034364
k( 109) = ( 0.1793478 0.1793478 0.3586957), wk = 0.0034364
k( 110) = ( 0.1711957 0.1711957 0.3423913), wk = 0.0034364
k( 111) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0034364
k( 112) = ( 0.1548913 0.1548913 0.3097826), wk = 0.0034364
k( 113) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0034364
k( 114) = ( 0.1385870 0.1385870 0.2771739), wk = 0.0034364
k( 115) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0034364
k( 116) = ( 0.1222826 0.1222826 0.2445652), wk = 0.0034364
k( 117) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0034364
k( 118) = ( 0.1059783 0.1059783 0.2119565), wk = 0.0034364
k( 119) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0034364
k( 120) = ( 0.0896739 0.0896739 0.1793478), wk = 0.0034364
k( 121) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0034364
k( 122) = ( 0.0733696 0.0733696 0.1467391), wk = 0.0034364
k( 123) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0034364
k( 124) = ( 0.0570652 0.0570652 0.1141304), wk = 0.0034364
k( 125) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0034364
k( 126) = ( 0.0407609 0.0407609 0.0815217), wk = 0.0034364
k( 127) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0034364
k( 128) = ( 0.0244565 0.0244565 0.0489130), wk = 0.0034364
k( 129) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0034364
k( 130) = ( 0.0081522 0.0081522 0.0163044), wk = 0.0034364
k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364
k( 133) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034364
k( 134) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034364
k( 135) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034364
k( 136) = ( 0.0540540 0.0540540 0.0540541), wk = 0.0034364
k( 137) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034364
k( 138) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034364
k( 139) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034364
k( 140) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034364
k( 141) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034364
k( 142) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034364
k( 143) = ( 0.1486486 0.1486487 0.1486487), wk = 0.0034364
k( 144) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034364
k( 145) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034364
k( 146) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034364
k( 147) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034364
k( 148) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034364
k( 149) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034364
k( 150) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034364
k( 151) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034364
k( 152) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034364
k( 153) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034364
k( 154) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034364
k( 155) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034364
k( 156) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034364
k( 157) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034364
k( 158) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0034364
k( 159) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034364
k( 160) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034364
k( 161) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034364
k( 162) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034364
k( 163) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034364
k( 164) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034364
k( 165) = ( 0.4459459 0.4459459 0.4459460), wk = 0.0034364
k( 166) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034364
k( 167) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034364
k( 168) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034364
k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364
k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364
k( 171) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0034364
k( 172) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0034364
k( 173) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0034364
k( 174) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0034364
k( 175) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0034364
k( 176) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0034364
k( 177) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0034364
k( 178) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0034364
k( 179) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0034364
k( 180) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0034364
k( 181) = ( 0.5509259 0.3981482 0.5509259), wk = 0.0034364
k( 182) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0034364
k( 183) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0034364
k( 184) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0034364
k( 185) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0034364
k( 186) = ( 0.5740741 0.3518519 0.5740741), wk = 0.0034364
k( 187) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0034364
k( 188) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0034364
k( 189) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0034364
k( 190) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0034364
k( 191) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0034364
k( 192) = ( 0.6018518 0.2962963 0.6018519), wk = 0.0034364
k( 193) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0034364
k( 194) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0034364
k( 195) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0034364
k( 196) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0034364
k( 197) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364
k( 198) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364
k( 199) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0034364
k( 200) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0034364
k( 201) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0034364
k( 202) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0034364
k( 203) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0034364
k( 204) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0034364
k( 205) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0034364
k( 206) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0034364
k( 207) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0034364
k( 208) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0034364
k( 209) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0034364
k( 210) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0034364
k( 211) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0034364
k( 212) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0034364
k( 213) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0034364
k( 214) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364
k( 215) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364
k( 216) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0034364
k( 217) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0034364
k( 218) = ( 0.5000000 0.2741936 0.7258065), wk = 0.0034364
k( 219) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0034364
k( 220) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0034364
k( 221) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0034364
k( 222) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0034364
k( 223) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0034364
k( 224) = ( 0.5000000 0.3225807 0.6774194), wk = 0.0034364
k( 225) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0034364
k( 226) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0034364
k( 227) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0034364
k( 228) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0034364
k( 229) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0034364
k( 230) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0034364
k( 231) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0034364
k( 232) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0034364
k( 233) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0034364
k( 234) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0034364
k( 235) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0034364
k( 236) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0034364
k( 237) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0034364
k( 238) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0034364
k( 239) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0034364
k( 240) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0034364
k( 241) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0034364
k( 242) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0034364
k( 243) = ( 0.5000000 0.4758065 0.5241936), wk = 0.0034364
k( 244) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0034364
k( 245) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0034364
k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364
k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364
k( 248) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0034364
k( 249) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0034364
k( 250) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0034364
k( 251) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0034364
k( 252) = ( 0.4768519 0.4768519 0.5462963), wk = 0.0034364
k( 253) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0034364
k( 254) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0034364
k( 255) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0034364
k( 256) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0034364
k( 257) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0034364
k( 258) = ( 0.4490741 0.4490741 0.6018518), wk = 0.0034364
k( 259) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0034364
k( 260) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0034364
k( 261) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0034364
k( 262) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0034364
k( 263) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0034364
k( 264) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0034364
k( 265) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0034364
k( 266) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0034364
k( 267) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0034364
k( 268) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0034364
k( 269) = ( 0.3981481 0.3981482 0.7037037), wk = 0.0034364
k( 270) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0034364
k( 271) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0034364
k( 272) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0034364
k( 273) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0034364
k( 274) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364
k( 275) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364
k( 276) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0034364
k( 277) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0034364
k( 278) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0034364
k( 279) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0034364
k( 280) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0034364
k( 281) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0034364
k( 282) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0034364
k( 283) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0034364
k( 284) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0034364
k( 285) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0034364
k( 286) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0034364
k( 287) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0034364
k( 288) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0034364
k( 289) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0034364
k( 290) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0034364
k( 291) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364
Dense grid: 67097 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 25893 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.16 Mb ( 192, 56)
NL pseudopotentials 0.30 Mb ( 96, 202)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1864)
G-vector shells 0.00 Mb ( 475)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.66 Mb ( 192, 224)
Each subspace H/S matrix 0.05 Mb ( 56, 56)
Each <psi_i|beta_j> matrix 0.35 Mb ( 202, 2, 56)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./NiB12.save/charge-density.dat
Starting wfc are 114 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.8 secs
Computing kpt #: 2
total cpu time spent up to now is 2.3 secs
Computing kpt #: 3
total cpu time spent up to now is 2.7 secs
Computing kpt #: 4
total cpu time spent up to now is 3.2 secs
Computing kpt #: 5
total cpu time spent up to now is 3.6 secs
Computing kpt #: 6
total cpu time spent up to now is 4.0 secs
Computing kpt #: 7
total cpu time spent up to now is 4.4 secs
Computing kpt #: 8
total cpu time spent up to now is 4.8 secs
Computing kpt #: 9
total cpu time spent up to now is 5.2 secs
Computing kpt #: 10
total cpu time spent up to now is 5.7 secs
Computing kpt #: 11
total cpu time spent up to now is 6.1 secs
Computing kpt #: 12
total cpu time spent up to now is 6.5 secs
Computing kpt #: 13
total cpu time spent up to now is 7.0 secs
Computing kpt #: 14
total cpu time spent up to now is 7.4 secs
Computing kpt #: 15
total cpu time spent up to now is 7.9 secs
Computing kpt #: 16
total cpu time spent up to now is 8.4 secs
Computing kpt #: 17
total cpu time spent up to now is 9.1 secs
Computing kpt #: 18
total cpu time spent up to now is 9.9 secs
Computing kpt #: 19
total cpu time spent up to now is 10.5 secs
Computing kpt #: 20
total cpu time spent up to now is 11.0 secs
Computing kpt #: 21
total cpu time spent up to now is 11.6 secs
Computing kpt #: 22
total cpu time spent up to now is 12.1 secs
Computing kpt #: 23
total cpu time spent up to now is 12.6 secs
Computing kpt #: 24
total cpu time spent up to now is 13.1 secs
Computing kpt #: 25
total cpu time spent up to now is 13.5 secs
Computing kpt #: 26
total cpu time spent up to now is 14.0 secs
Computing kpt #: 27
total cpu time spent up to now is 14.5 secs
Computing kpt #: 28
total cpu time spent up to now is 14.9 secs
Computing kpt #: 29
total cpu time spent up to now is 15.4 secs
Computing kpt #: 30
total cpu time spent up to now is 15.9 secs
Computing kpt #: 31
total cpu time spent up to now is 16.3 secs
Computing kpt #: 32
total cpu time spent up to now is 16.8 secs
Computing kpt #: 33
total cpu time spent up to now is 17.2 secs
Computing kpt #: 34
total cpu time spent up to now is 17.7 secs
Computing kpt #: 35
total cpu time spent up to now is 18.1 secs
Computing kpt #: 36
total cpu time spent up to now is 18.5 secs
Computing kpt #: 37
total cpu time spent up to now is 19.0 secs
Computing kpt #: 38
total cpu time spent up to now is 19.5 secs
Computing kpt #: 39
total cpu time spent up to now is 19.9 secs
Computing kpt #: 40
total cpu time spent up to now is 20.4 secs
Computing kpt #: 41
total cpu time spent up to now is 20.8 secs
Computing kpt #: 42
total cpu time spent up to now is 21.3 secs
Computing kpt #: 43
total cpu time spent up to now is 21.7 secs
Computing kpt #: 44
total cpu time spent up to now is 22.1 secs
Computing kpt #: 45
total cpu time spent up to now is 22.6 secs
Computing kpt #: 46
total cpu time spent up to now is 23.0 secs
Computing kpt #: 47
total cpu time spent up to now is 23.5 secs
Computing kpt #: 48
total cpu time spent up to now is 24.0 secs
Computing kpt #: 49
total cpu time spent up to now is 24.5 secs
Computing kpt #: 50
total cpu time spent up to now is 24.9 secs
Computing kpt #: 51
total cpu time spent up to now is 25.4 secs
Computing kpt #: 52
total cpu time spent up to now is 25.9 secs
Computing kpt #: 53
total cpu time spent up to now is 26.4 secs
Computing kpt #: 54
total cpu time spent up to now is 26.9 secs
Computing kpt #: 55
total cpu time spent up to now is 27.3 secs
Computing kpt #: 56
total cpu time spent up to now is 27.8 secs
Computing kpt #: 57
total cpu time spent up to now is 28.3 secs
Computing kpt #: 58
total cpu time spent up to now is 28.8 secs
Computing kpt #: 59
total cpu time spent up to now is 29.3 secs
Computing kpt #: 60
total cpu time spent up to now is 29.8 secs
Computing kpt #: 61
total cpu time spent up to now is 30.3 secs
Computing kpt #: 62
total cpu time spent up to now is 30.8 secs
Computing kpt #: 63
total cpu time spent up to now is 31.3 secs
Computing kpt #: 64
total cpu time spent up to now is 31.8 secs
Computing kpt #: 65
total cpu time spent up to now is 32.3 secs
Computing kpt #: 66
total cpu time spent up to now is 32.8 secs
Computing kpt #: 67
total cpu time spent up to now is 33.3 secs
Computing kpt #: 68
total cpu time spent up to now is 33.8 secs
Computing kpt #: 69
total cpu time spent up to now is 34.4 secs
Computing kpt #: 70
total cpu time spent up to now is 34.9 secs
Computing kpt #: 71
total cpu time spent up to now is 35.4 secs
Computing kpt #: 72
total cpu time spent up to now is 35.9 secs
Computing kpt #: 73
total cpu time spent up to now is 36.5 secs
Computing kpt #: 74
total cpu time spent up to now is 37.0 secs
Computing kpt #: 75
total cpu time spent up to now is 37.5 secs
Computing kpt #: 76
total cpu time spent up to now is 37.9 secs
Computing kpt #: 77
total cpu time spent up to now is 38.4 secs
Computing kpt #: 78
total cpu time spent up to now is 38.9 secs
Computing kpt #: 79
total cpu time spent up to now is 39.4 secs
Computing kpt #: 80
total cpu time spent up to now is 39.9 secs
Computing kpt #: 81
total cpu time spent up to now is 40.4 secs
Computing kpt #: 82
total cpu time spent up to now is 40.8 secs
Computing kpt #: 83
total cpu time spent up to now is 41.3 secs
Computing kpt #: 84
total cpu time spent up to now is 41.8 secs
Computing kpt #: 85
total cpu time spent up to now is 42.2 secs
Computing kpt #: 86
total cpu time spent up to now is 42.7 secs
Computing kpt #: 87
total cpu time spent up to now is 43.2 secs
Computing kpt #: 88
total cpu time spent up to now is 43.7 secs
Computing kpt #: 89
total cpu time spent up to now is 44.1 secs
Computing kpt #: 90
total cpu time spent up to now is 44.6 secs
Computing kpt #: 91
total cpu time spent up to now is 45.1 secs
Computing kpt #: 92
total cpu time spent up to now is 45.6 secs
Computing kpt #: 93
total cpu time spent up to now is 46.1 secs
Computing kpt #: 94
total cpu time spent up to now is 46.6 secs
Computing kpt #: 95
total cpu time spent up to now is 47.1 secs
Computing kpt #: 96
total cpu time spent up to now is 47.6 secs
Computing kpt #: 97
total cpu time spent up to now is 48.2 secs
Computing kpt #: 98
total cpu time spent up to now is 48.7 secs
Computing kpt #: 99
total cpu time spent up to now is 49.2 secs
Computing kpt #: 100
total cpu time spent up to now is 49.7 secs
Computing kpt #: 101
total cpu time spent up to now is 50.2 secs
Computing kpt #: 102
total cpu time spent up to now is 50.7 secs
Computing kpt #: 103
total cpu time spent up to now is 51.2 secs
Computing kpt #: 104
total cpu time spent up to now is 51.7 secs
Computing kpt #: 105
total cpu time spent up to now is 52.2 secs
Computing kpt #: 106
total cpu time spent up to now is 52.7 secs
Computing kpt #: 107
total cpu time spent up to now is 53.1 secs
Computing kpt #: 108
total cpu time spent up to now is 53.6 secs
Computing kpt #: 109
total cpu time spent up to now is 54.1 secs
Computing kpt #: 110
total cpu time spent up to now is 54.6 secs
Computing kpt #: 111
total cpu time spent up to now is 55.0 secs
Computing kpt #: 112
total cpu time spent up to now is 55.5 secs
Computing kpt #: 113
total cpu time spent up to now is 56.0 secs
Computing kpt #: 114
total cpu time spent up to now is 56.7 secs
Computing kpt #: 115
total cpu time spent up to now is 57.3 secs
Computing kpt #: 116
total cpu time spent up to now is 57.8 secs
Computing kpt #: 117
total cpu time spent up to now is 58.3 secs
Computing kpt #: 118
total cpu time spent up to now is 58.7 secs
Computing kpt #: 119
total cpu time spent up to now is 59.2 secs
Computing kpt #: 120
total cpu time spent up to now is 59.7 secs
Computing kpt #: 121
total cpu time spent up to now is 60.1 secs
Computing kpt #: 122
total cpu time spent up to now is 60.5 secs
Computing kpt #: 123
total cpu time spent up to now is 61.0 secs
Computing kpt #: 124
total cpu time spent up to now is 61.4 secs
Computing kpt #: 125
total cpu time spent up to now is 61.8 secs
Computing kpt #: 126
total cpu time spent up to now is 62.2 secs
Computing kpt #: 127
total cpu time spent up to now is 62.6 secs
Computing kpt #: 128
total cpu time spent up to now is 63.1 secs
Computing kpt #: 129
total cpu time spent up to now is 63.5 secs
Computing kpt #: 130
total cpu time spent up to now is 63.9 secs
Computing kpt #: 131
total cpu time spent up to now is 64.3 secs
Computing kpt #: 132
total cpu time spent up to now is 64.7 secs
Computing kpt #: 133
total cpu time spent up to now is 65.1 secs
Computing kpt #: 134
total cpu time spent up to now is 65.5 secs
Computing kpt #: 135
total cpu time spent up to now is 65.9 secs
Computing kpt #: 136
total cpu time spent up to now is 66.3 secs
Computing kpt #: 137
total cpu time spent up to now is 66.8 secs
Computing kpt #: 138
total cpu time spent up to now is 67.2 secs
Computing kpt #: 139
total cpu time spent up to now is 67.6 secs
Computing kpt #: 140
total cpu time spent up to now is 68.1 secs
Computing kpt #: 141
total cpu time spent up to now is 68.5 secs
Computing kpt #: 142
total cpu time spent up to now is 68.9 secs
Computing kpt #: 143
total cpu time spent up to now is 69.4 secs
Computing kpt #: 144
total cpu time spent up to now is 69.9 secs
Computing kpt #: 145
total cpu time spent up to now is 70.4 secs
Computing kpt #: 146
total cpu time spent up to now is 70.9 secs
Computing kpt #: 147
total cpu time spent up to now is 71.4 secs
Computing kpt #: 148
total cpu time spent up to now is 71.8 secs
Computing kpt #: 149
total cpu time spent up to now is 72.3 secs
Computing kpt #: 150
total cpu time spent up to now is 72.8 secs
Computing kpt #: 151
total cpu time spent up to now is 73.2 secs
Computing kpt #: 152
total cpu time spent up to now is 73.7 secs
Computing kpt #: 153
total cpu time spent up to now is 74.2 secs
Computing kpt #: 154
total cpu time spent up to now is 74.6 secs
Computing kpt #: 155
total cpu time spent up to now is 75.1 secs
Computing kpt #: 156
total cpu time spent up to now is 75.6 secs
Computing kpt #: 157
total cpu time spent up to now is 76.0 secs
Computing kpt #: 158
total cpu time spent up to now is 76.5 secs
Computing kpt #: 159
total cpu time spent up to now is 77.0 secs
Computing kpt #: 160
total cpu time spent up to now is 77.5 secs
Computing kpt #: 161
total cpu time spent up to now is 78.0 secs
Computing kpt #: 162
total cpu time spent up to now is 78.6 secs
Computing kpt #: 163
total cpu time spent up to now is 79.2 secs
Computing kpt #: 164
total cpu time spent up to now is 79.7 secs
Computing kpt #: 165
total cpu time spent up to now is 80.3 secs
Computing kpt #: 166
total cpu time spent up to now is 81.4 secs
Computing kpt #: 167
total cpu time spent up to now is 82.6 secs
Computing kpt #: 168
total cpu time spent up to now is 83.6 secs
Computing kpt #: 169
total cpu time spent up to now is 84.5 secs
Computing kpt #: 170
total cpu time spent up to now is 85.5 secs
Computing kpt #: 171
total cpu time spent up to now is 86.4 secs
Computing kpt #: 172
total cpu time spent up to now is 87.3 secs
Computing kpt #: 173
total cpu time spent up to now is 88.3 secs
Computing kpt #: 174
total cpu time spent up to now is 89.3 secs
Computing kpt #: 175
total cpu time spent up to now is 90.4 secs
Computing kpt #: 176
total cpu time spent up to now is 91.4 secs
Computing kpt #: 177
total cpu time spent up to now is 92.2 secs
Computing kpt #: 178
total cpu time spent up to now is 93.1 secs
Computing kpt #: 179
total cpu time spent up to now is 93.7 secs
Computing kpt #: 180
total cpu time spent up to now is 94.4 secs
Computing kpt #: 181
total cpu time spent up to now is 95.0 secs
Computing kpt #: 182
total cpu time spent up to now is 95.6 secs
Computing kpt #: 183
total cpu time spent up to now is 96.2 secs
Computing kpt #: 184
total cpu time spent up to now is 96.8 secs
Computing kpt #: 185
total cpu time spent up to now is 97.4 secs
Computing kpt #: 186
total cpu time spent up to now is 97.9 secs
Computing kpt #: 187
total cpu time spent up to now is 98.5 secs
Computing kpt #: 188
total cpu time spent up to now is 99.0 secs
Computing kpt #: 189
total cpu time spent up to now is 99.5 secs
Computing kpt #: 190
total cpu time spent up to now is 100.1 secs
Computing kpt #: 191
total cpu time spent up to now is 100.5 secs
Computing kpt #: 192
total cpu time spent up to now is 101.0 secs
Computing kpt #: 193
total cpu time spent up to now is 101.5 secs
Computing kpt #: 194
total cpu time spent up to now is 102.0 secs
Computing kpt #: 195
total cpu time spent up to now is 102.5 secs
Computing kpt #: 196
total cpu time spent up to now is 102.9 secs
Computing kpt #: 197
total cpu time spent up to now is 103.4 secs
Computing kpt #: 198
total cpu time spent up to now is 103.9 secs
Computing kpt #: 199
total cpu time spent up to now is 104.3 secs
Computing kpt #: 200
total cpu time spent up to now is 104.8 secs
Computing kpt #: 201
total cpu time spent up to now is 105.3 secs
Computing kpt #: 202
total cpu time spent up to now is 105.8 secs
Computing kpt #: 203
total cpu time spent up to now is 106.3 secs
Computing kpt #: 204
total cpu time spent up to now is 106.8 secs
Computing kpt #: 205
total cpu time spent up to now is 107.3 secs
Computing kpt #: 206
total cpu time spent up to now is 107.8 secs
Computing kpt #: 207
total cpu time spent up to now is 108.3 secs
Computing kpt #: 208
total cpu time spent up to now is 108.8 secs
Computing kpt #: 209
total cpu time spent up to now is 109.3 secs
Computing kpt #: 210
total cpu time spent up to now is 109.9 secs
Computing kpt #: 211
total cpu time spent up to now is 110.4 secs
Computing kpt #: 212
total cpu time spent up to now is 110.9 secs
Computing kpt #: 213
total cpu time spent up to now is 111.5 secs
Computing kpt #: 214
total cpu time spent up to now is 112.0 secs
Computing kpt #: 215
total cpu time spent up to now is 112.6 secs
Computing kpt #: 216
total cpu time spent up to now is 113.1 secs
Computing kpt #: 217
total cpu time spent up to now is 113.6 secs
Computing kpt #: 218
total cpu time spent up to now is 114.1 secs
Computing kpt #: 219
total cpu time spent up to now is 114.7 secs
Computing kpt #: 220
total cpu time spent up to now is 115.3 secs
Computing kpt #: 221
total cpu time spent up to now is 115.9 secs
Computing kpt #: 222
total cpu time spent up to now is 116.5 secs
Computing kpt #: 223
total cpu time spent up to now is 117.1 secs
Computing kpt #: 224
total cpu time spent up to now is 117.7 secs
Computing kpt #: 225
total cpu time spent up to now is 118.4 secs
Computing kpt #: 226
total cpu time spent up to now is 119.0 secs
Computing kpt #: 227
total cpu time spent up to now is 119.7 secs
Computing kpt #: 228
total cpu time spent up to now is 120.4 secs
Computing kpt #: 229
total cpu time spent up to now is 121.1 secs
Computing kpt #: 230
total cpu time spent up to now is 121.7 secs
Computing kpt #: 231
total cpu time spent up to now is 122.4 secs
Computing kpt #: 232
total cpu time spent up to now is 123.5 secs
Computing kpt #: 233
total cpu time spent up to now is 124.6 secs
Computing kpt #: 234
total cpu time spent up to now is 125.6 secs
Computing kpt #: 235
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 127.1 secs
Computing kpt #: 236
total cpu time spent up to now is 127.7 secs
Computing kpt #: 237
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 129.2 secs
Computing kpt #: 238
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 130.8 secs
Computing kpt #: 239
total cpu time spent up to now is 131.9 secs
Computing kpt #: 240
total cpu time spent up to now is 133.2 secs
Computing kpt #: 241
total cpu time spent up to now is 134.2 secs
Computing kpt #: 242
total cpu time spent up to now is 135.3 secs
Computing kpt #: 243
total cpu time spent up to now is 136.3 secs
Computing kpt #: 244
total cpu time spent up to now is 137.3 secs
Computing kpt #: 245
total cpu time spent up to now is 138.2 secs
Computing kpt #: 246
total cpu time spent up to now is 139.2 secs
Computing kpt #: 247
total cpu time spent up to now is 140.2 secs
Computing kpt #: 248
total cpu time spent up to now is 141.1 secs
Computing kpt #: 249
total cpu time spent up to now is 142.2 secs
Computing kpt #: 250
total cpu time spent up to now is 143.1 secs
Computing kpt #: 251
total cpu time spent up to now is 144.0 secs
Computing kpt #: 252
total cpu time spent up to now is 145.0 secs
Computing kpt #: 253
total cpu time spent up to now is 146.0 secs
Computing kpt #: 254
total cpu time spent up to now is 146.9 secs
Computing kpt #: 255
total cpu time spent up to now is 147.7 secs
Computing kpt #: 256
total cpu time spent up to now is 148.4 secs
Computing kpt #: 257
total cpu time spent up to now is 149.0 secs
Computing kpt #: 258
total cpu time spent up to now is 149.5 secs
Computing kpt #: 259
total cpu time spent up to now is 150.1 secs
Computing kpt #: 260
total cpu time spent up to now is 150.7 secs
Computing kpt #: 261
total cpu time spent up to now is 151.3 secs
Computing kpt #: 262
total cpu time spent up to now is 151.8 secs
Computing kpt #: 263
total cpu time spent up to now is 152.3 secs
Computing kpt #: 264
total cpu time spent up to now is 152.8 secs
Computing kpt #: 265
total cpu time spent up to now is 153.3 secs
Computing kpt #: 266
total cpu time spent up to now is 153.8 secs
Computing kpt #: 267
total cpu time spent up to now is 154.3 secs
Computing kpt #: 268
total cpu time spent up to now is 154.8 secs
Computing kpt #: 269
total cpu time spent up to now is 155.3 secs
Computing kpt #: 270
total cpu time spent up to now is 155.8 secs
Computing kpt #: 271
total cpu time spent up to now is 156.2 secs
Computing kpt #: 272
total cpu time spent up to now is 156.7 secs
Computing kpt #: 273
total cpu time spent up to now is 157.2 secs
Computing kpt #: 274
total cpu time spent up to now is 157.6 secs
Computing kpt #: 275
total cpu time spent up to now is 158.1 secs
Computing kpt #: 276
total cpu time spent up to now is 158.6 secs
Computing kpt #: 277
total cpu time spent up to now is 159.1 secs
Computing kpt #: 278
total cpu time spent up to now is 159.5 secs
Computing kpt #: 279
total cpu time spent up to now is 160.0 secs
Computing kpt #: 280
total cpu time spent up to now is 160.4 secs
Computing kpt #: 281
total cpu time spent up to now is 160.9 secs
Computing kpt #: 282
total cpu time spent up to now is 161.4 secs
Computing kpt #: 283
total cpu time spent up to now is 161.9 secs
Computing kpt #: 284
total cpu time spent up to now is 162.3 secs
Computing kpt #: 285
total cpu time spent up to now is 162.8 secs
Computing kpt #: 286
total cpu time spent up to now is 163.3 secs
Computing kpt #: 287
total cpu time spent up to now is 163.7 secs
Computing kpt #: 288
total cpu time spent up to now is 164.2 secs
Computing kpt #: 289
total cpu time spent up to now is 164.7 secs
Computing kpt #: 290
total cpu time spent up to now is 165.1 secs
Computing kpt #: 291
total cpu time spent up to now is 165.6 secs
ethr = 2.17E-08, avg # of iterations = 23.6
total cpu time spent up to now is 165.6 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev):
-5.8644 -5.8644 -0.6359 -0.6359 -0.6350 -0.6350 -0.6350 -0.6350
1.0616 1.0616 1.0616 1.0616 1.0633 1.0633 1.2693 1.2693
2.2043 2.2043 2.7276 2.7276 2.7276 2.7276 4.5112 4.5112
4.5245 4.5245 4.5245 4.5245 7.3866 7.3866 7.3866 7.3866
7.4737 7.4737 8.0135 8.0135 8.0135 8.0135 8.7440 8.7440
8.7440 8.7440 8.8007 8.8007 8.9228 8.9228 8.9228 8.9228
10.9027 10.9027 12.7923 12.7923 12.7923 12.7923 12.7928 12.7928
k = 0.0116-0.0067 0.0095 ( 3263 PWs) bands (ev):
-5.8635 -5.8635 -0.6406 -0.6406 -0.6381 -0.6381 -0.6375 -0.6375
1.0564 1.0564 1.0654 1.0654 1.0666 1.0666 1.2750 1.2750
2.2115 2.2115 2.7216 2.7216 2.7286 2.7286 4.5139 4.5139
4.5261 4.5261 4.5291 4.5291 7.3855 7.3855 7.3863 7.3863
7.4728 7.4728 8.0120 8.0120 8.0145 8.0145 8.7411 8.7411
8.7427 8.7427 8.7988 8.7988 8.9187 8.9187 8.9200 8.9200
10.9066 10.9066 12.7920 12.7920 12.7924 12.7924 12.7998 12.7998
k = 0.0233-0.0134 0.0190 ( 3255 PWs) bands (ev):
-5.8607 -5.8607 -0.6563 -0.6563 -0.6458 -0.6458 -0.6452 -0.6452
1.0397 1.0397 1.0766 1.0766 1.0778 1.0778 1.2919 1.2919
2.2329 2.2329 2.7038 2.7038 2.7315 2.7315 4.5201 4.5201
4.5308 4.5308 4.5446 4.5446 7.3819 7.3819 7.3851 7.3851
7.4699 7.4699 8.0070 8.0070 8.0168 8.0168 8.7323 8.7323
8.7382 8.7382 8.7935 8.7935 8.9066 8.9066 8.9116 8.9116
10.9182 10.9182 12.7911 12.7911 12.7915 12.7915 12.8215 12.8215
k = 0.0349-0.0201 0.0285 ( 3231 PWs) bands (ev):
-5.8560 -5.8560 -0.6818 -0.6818 -0.6583 -0.6583 -0.6576 -0.6576
1.0131 1.0131 1.0951 1.0951 1.0962 1.0962 1.3194 1.3194
2.2673 2.2673 2.6752 2.6752 2.7364 2.7364 4.5287 4.5287
4.5386 4.5386 4.5715 4.5715 7.3760 7.3760 7.3829 7.3829
7.4654 7.4654 7.9984 7.9984 8.0206 8.0206 8.7179 8.7179
8.7298 8.7298 8.7857 8.7857 8.8873 8.8873 8.8978 8.8978
10.9376 10.9376 12.7894 12.7894 12.7898 12.7898 12.8572 12.8572
k = 0.0465-0.0269 0.0380 ( 3227 PWs) bands (ev):
-5.8495 -5.8495 -0.7163 -0.7163 -0.6753 -0.6753 -0.6747 -0.6747
0.9782 0.9782 1.1205 1.1205 1.1216 1.1216 1.3564 1.3564
2.3129 2.3129 2.6367 2.6367 2.7432 2.7432 4.5400 4.5400
4.5495 4.5495 4.6085 4.6085 7.3674 7.3674 7.3792 7.3792
7.4594 7.4594 7.9858 7.9858 8.0257 8.0257 8.6980 8.6980
8.7159 8.7159 8.7767 8.7767 8.8620 8.8620 8.8785 8.8785
10.9646 10.9646 12.7865 12.7865 12.7870 12.7870 12.9064 12.9064
k = 0.0581-0.0336 0.0475 ( 3227 PWs) bands (ev):
-5.8412 -5.8412 -0.7588 -0.7588 -0.6965 -0.6965 -0.6957 -0.6957
0.9368 0.9368 1.1523 1.1523 1.1534 1.1534 1.4017 1.4017
2.3682 2.3682 2.5901 2.5901 2.7519 2.7519 4.5542 4.5542
4.5636 4.5636 4.6541 4.6541 7.3561 7.3561 7.3733 7.3733
7.4524 7.4524 7.9689 7.9689 8.0320 8.0320 8.6733 8.6733
8.6960 8.6960 8.7669 8.7669 8.8327 8.8327 8.8539 8.8539
10.9992 10.9992 12.7820 12.7820 12.7826 12.7826 12.9682 12.9682
k = 0.0698-0.0403 0.0570 ( 3235 PWs) bands (ev):
-5.8311 -5.8311 -0.8083 -0.8083 -0.7212 -0.7212 -0.7204 -0.7204
0.8905 0.8905 1.1900 1.1900 1.1911 1.1911 1.4539 1.4539
2.4314 2.4314 2.5369 2.5369 2.7625 2.7625 4.5714 4.5714
4.5807 4.5807 4.7071 4.7071 7.3418 7.3418 7.3644 7.3644
7.4451 7.4451 7.9472 7.9472 8.0392 8.0392 8.6441 8.6441
8.6701 8.6701 8.7540 8.7540 8.8035 8.8035 8.8241 8.8241
11.0413 11.0413 12.7754 12.7754 12.7761 12.7761 13.0417 13.0417
k = 0.0814-0.0470 0.0665 ( 3239 PWs) bands (ev):
-5.8191 -5.8191 -0.8636 -0.8636 -0.7490 -0.7490 -0.7482 -0.7482
0.8406 0.8406 1.2332 1.2332 1.2342 1.2342 1.5112 1.5112
2.4791 2.4791 2.5012 2.5012 2.7750 2.7750 4.5916 4.5916
4.6010 4.6010 4.7663 4.7663 7.3244 7.3244 7.3514 7.3514
7.4384 7.4384 7.9199 7.9199 8.0471 8.0471 8.6111 8.6111
8.6393 8.6393 8.7323 8.7323 8.7813 8.7813 8.7895 8.7895
11.0907 11.0907 12.7661 12.7661 12.7669 12.7669 13.1260 13.1260
k = 0.0930-0.0537 0.0760 ( 3227 PWs) bands (ev):
-5.8053 -5.8053 -0.9237 -0.9237 -0.7794 -0.7794 -0.7785 -0.7785
0.7882 0.7882 1.2813 1.2813 1.2823 1.2823 1.5718 1.5718
2.4189 2.4189 2.5763 2.5763 2.7896 2.7896 4.6149 4.6149
4.6243 4.6243 4.8308 4.8308 7.3037 7.3037 7.3337 7.3337
7.4329 7.4329 7.8865 7.8865 8.0556 8.0556 8.5749 8.5749
8.6046 8.6046 8.7008 8.7008 8.7502 8.7502 8.7684 8.7684
11.1471 11.1471 12.7534 12.7534 12.7544 12.7544 13.2200 13.2200
k = 0.1047-0.0604 0.0854 ( 3235 PWs) bands (ev):
-5.7898 -5.7898 -0.9880 -0.9880 -0.8119 -0.8119 -0.8110 -0.8110
0.7342 0.7342 1.3337 1.3337 1.3347 1.3347 1.6329 1.6329
2.3592 2.3592 2.6560 2.6560 2.8059 2.8059 4.6412 4.6412
4.6506 4.6506 4.8997 4.8997 7.2793 7.2793 7.3108 7.3108
7.4285 7.4285 7.8464 7.8464 8.0641 8.0641 8.5362 8.5362
8.5672 8.5672 8.6654 8.6654 8.7067 8.7067 8.7597 8.7597
11.2104 11.2104 12.7367 12.7367 12.7379 12.7379 13.3229 13.3229
k = 0.1163-0.0671 0.0949 ( 3235 PWs) bands (ev):
-5.7724 -5.7724 -1.0555 -1.0555 -0.8460 -0.8460 -0.8451 -0.8451
0.6794 0.6794 1.3901 1.3901 1.3910 1.3910 1.6905 1.6905
2.3042 2.3042 2.7395 2.7395 2.8242 2.8242 4.6705 4.6705
4.6800 4.6800 4.9723 4.9723 7.2511 7.2511 7.2827 7.2827
7.4251 7.4251 7.7991 7.7991 8.0723 8.0723 8.4956 8.4956
8.5281 8.5281 8.6301 8.6301 8.6596 8.6596 8.7524 8.7524
11.2802 11.2802 12.7154 12.7154 12.7167 12.7167 13.4336 13.4336
k = 0.1279-0.0738 0.1044 ( 3231 PWs) bands (ev):
-5.7533 -5.7533 -1.1257 -1.1257 -0.8814 -0.8814 -0.8805 -0.8805
0.6242 0.6242 1.4500 1.4500 1.4509 1.4509 1.7379 1.7379
2.2607 2.2607 2.8260 2.8260 2.8443 2.8443 4.7028 4.7028
4.7123 4.7123 5.0479 5.0479 7.2188 7.2188 7.2495 7.2495
7.4222 7.4222 7.7446 7.7446 8.0797 8.0797 8.4535 8.4535
8.4884 8.4884 8.5964 8.5964 8.6094 8.6094 8.7454 8.7454
11.3561 11.3561 12.6888 12.6888 12.6903 12.6903 13.5514 13.5514
k = 0.1395-0.0806 0.1139 ( 3243 PWs) bands (ev):
-5.7325 -5.7325 -1.1980 -1.1980 -0.9177 -0.9177 -0.9167 -0.9167
0.5691 0.5691 1.5130 1.5130 1.5138 1.5138 1.7655 1.7655
2.2386 2.2386 2.8663 2.8663 2.9153 2.9153 4.7380 4.7380
4.7476 4.7476 5.1262 5.1262 7.1821 7.1821 7.2112 7.2112
7.4195 7.4195 7.6831 7.6831 8.0856 8.0856 8.4101 8.4101
8.4488 8.4488 8.5574 8.5574 8.5653 8.5653 8.7383 8.7383
11.4377 11.4377 12.6563 12.6563 12.6582 12.6582 13.6754 13.6754
k = 0.1512-0.0873 0.1234 ( 3239 PWs) bands (ev):
-5.7100 -5.7100 -1.2719 -1.2719 -0.9546 -0.9546 -0.9535 -0.9535
0.5145 0.5145 1.5787 1.5787 1.5795 1.5795 1.7641 1.7641
2.2471 2.2471 2.8902 2.8902 3.0068 3.0068 4.7761 4.7761
4.7858 4.7858 5.2068 5.2068 7.1410 7.1410 7.1680 7.1680
7.4165 7.4165 7.6154 7.6154 8.0893 8.0893 8.3654 8.3654
8.4100 8.4100 8.5053 8.5053 8.5372 8.5372 8.7309 8.7309
11.5243 11.5243 12.6177 12.6177 12.6198 12.6198 13.8050 13.8050
k = 0.1628-0.0940 0.1329 ( 3243 PWs) bands (ev):
-5.6859 -5.6859 -1.3471 -1.3471 -0.9917 -0.9917 -0.9906 -0.9906
0.4606 0.4606 1.6468 1.6468 1.6476 1.6476 1.7337 1.7337
2.2863 2.2863 2.9159 2.9159 3.1002 3.1002 4.8169 4.8169
4.8268 4.8268 5.2894 5.2894 7.0953 7.0953 7.1199 7.1199
7.4116 7.4116 7.5433 7.5433 8.0894 8.0894 8.3186 8.3186
8.3721 8.3721 8.4556 8.4556 8.5123 8.5123 8.7232 8.7232
11.6153 11.6153 12.5724 12.5724 12.5749 12.5749 13.9394 13.9394
k = 0.1744-0.1007 0.1424 ( 3243 PWs) bands (ev):
-5.6602 -5.6602 -1.4232 -1.4232 -1.0288 -1.0288 -1.0277 -1.0277
0.4076 0.4076 1.6829 1.6829 1.7171 1.7171 1.7179 1.7179
2.3480 2.3480 2.9435 2.9435 3.1951 3.1951 4.8605 4.8605
4.8706 4.8706 5.3735 5.3735 7.0452 7.0452 7.0672 7.0672
7.3984 7.3984 7.4738 7.4738 8.0843 8.0843 8.2691 8.2691
8.3356 8.3356 8.4113 8.4113 8.4903 8.4903 8.7150 8.7150
11.7100 11.7100 12.5205 12.5205 12.5234 12.5234 14.0781 14.0781
k = 0.1860-0.1074 0.1519 ( 3235 PWs) bands (ev):
-5.6329 -5.6329 -1.5000 -1.5000 -1.0658 -1.0658 -1.0646 -1.0646
0.3557 0.3557 1.6202 1.6202 1.7893 1.7893 1.7900 1.7900
2.4236 2.4236 2.9728 2.9728 3.2913 3.2913 4.9067 4.9067
4.9170 4.9170 5.4591 5.4591 6.9906 6.9906 7.0102 7.0102
7.3504 7.3504 7.4347 7.4347 8.0705 8.0705 8.2181 8.2181
8.3003 8.3003 8.3750 8.3750 8.4713 8.4713 8.7063 8.7063
11.8076 11.8076 12.4620 12.4620 12.4653 12.4653 14.2205 14.2205
k = 0.1977-0.1141 0.1614 ( 3235 PWs) bands (ev):
-5.6040 -5.6040 -1.5772 -1.5772 -1.1024 -1.1024 -1.1011 -1.1011
0.3051 0.3051 1.5511 1.5511 1.8631 1.8631 1.8638 1.8638
2.5079 2.5079 3.0040 3.0040 3.3886 3.3886 4.9554 4.9554
4.9659 4.9659 5.5459 5.5459 6.9319 6.9319 6.9490 6.9490
7.2700 7.2700 7.4238 7.4238 8.0430 8.0430 8.1699 8.1699
8.2665 8.2665 8.3477 8.3477 8.4548 8.4548 8.6972 8.6972
11.9071 11.9071 12.3970 12.3970 12.4008 12.4008 14.3661 14.3661
k = 0.2093-0.1208 0.1709 ( 3219 PWs) bands (ev):
-5.5736 -5.5736 -1.6547 -1.6547 -1.1384 -1.1384 -1.1371 -1.1371
0.2559 0.2559 1.4788 1.4788 1.9384 1.9384 1.9391 1.9391
2.5977 2.5977 3.0369 3.0369 3.4867 3.4867 5.0064 5.0064
5.0171 5.0171 5.6335 5.6335 6.8693 6.8693 6.8842 6.8842
7.1804 7.1804 7.4187 7.4187 7.9972 7.9972 8.1304 8.1304
8.2340 8.2340 8.3289 8.3289 8.4406 8.4406 8.6876 8.6876
12.0074 12.0074 12.3260 12.3260 12.3302 12.3302 14.4066 14.4066
k = 0.2209-0.1276 0.1804 ( 3215 PWs) bands (ev):
-5.5419 -5.5419 -1.7321 -1.7321 -1.1737 -1.1737 -1.1724 -1.1724
0.2081 0.2081 1.4051 1.4051 2.0150 2.0150 2.0156 2.0156
2.6912 2.6912 3.0716 3.0716 3.5854 3.5854 5.0594 5.0594
5.0705 5.0705 5.7217 5.7217 6.8035 6.8035 6.8163 6.8163
7.0868 7.0868 7.4148 7.4148 7.9352 7.9352 8.0990 8.0990
8.2027 8.2027 8.3169 8.3169 8.4282 8.4282 8.6775 8.6775
12.1075 12.1075 12.2493 12.2493 12.2541 12.2541 14.3623 14.3623
k = 0.2326-0.1343 0.1899 ( 3215 PWs) bands (ev):
-5.5087 -5.5087 -1.8095 -1.8095 -1.2083 -1.2083 -1.2069 -1.2069
0.1619 0.1619 1.3314 1.3314 2.0926 2.0926 2.0932 2.0932
2.7875 2.7875 3.1079 3.1079 3.6844 3.6844 5.1143 5.1143
5.1256 5.1256 5.8100 5.8100 6.7348 6.7348 6.7458 6.7458
6.9909 6.9909 7.4111 7.4111 7.8633 7.8633 8.0716 8.0716
8.1724 8.1724 8.3098 8.3098 8.4174 8.4174 8.6670 8.6670
12.1673 12.1673 12.1730 12.1730 12.2064 12.2064 14.3188 14.3188
k = 0.2442-0.1410 0.1994 ( 3215 PWs) bands (ev):
-5.4744 -5.4744 -1.8865 -1.8865 -1.2419 -1.2419 -1.2405 -1.2405
0.1174 0.1174 1.2584 1.2584 2.1712 2.1712 2.1718 2.1718
2.8858 2.8858 3.1459 3.1459 3.7836 3.7836 5.1707 5.1707
5.1823 5.1823 5.8981 5.8981 6.6641 6.6641 6.6735 6.6735
6.8935 6.8935 7.4071 7.4071 7.7859 7.7859 8.0456 8.0456
8.1429 8.1429 8.3060 8.3060 8.4079 8.4079 8.6560 8.6560
12.0814 12.0814 12.0877 12.0877 12.3020 12.3020 14.2764 14.2764
k = 0.2558-0.1477 0.2089 ( 3235 PWs) bands (ev):
-5.4388 -5.4388 -1.9631 -1.9631 -1.2745 -1.2745 -1.2731 -1.2731
0.0744 0.0744 1.1867 1.1867 2.2505 2.2505 2.2511 2.2511
2.9856 2.9856 3.1856 3.1856 3.8826 3.8826 5.2279 5.2279
5.2398 5.2398 5.9851 5.9851 6.5921 6.5921 6.6002 6.6002
6.7952 6.7952 7.4025 7.4025 7.7059 7.7059 8.0199 8.0199
8.1140 8.1140 8.3043 8.3043 8.3995 8.3995 8.6445 8.6445
11.9917 11.9917 11.9987 11.9987 12.3936 12.3936 14.2352 14.2352
k = 0.2674-0.1544 0.2184 ( 3247 PWs) bands (ev):
-5.4021 -5.4021 -2.0391 -2.0391 -1.3060 -1.3060 -1.3045 -1.3045
0.0333 0.0333 1.1166 1.1166 2.3305 2.3305 2.3310 2.3310
3.0866 3.0866 3.2267 3.2267 3.9812 3.9812 5.2854 5.2854
5.2976 5.2976 6.0702 6.0702 6.5199 6.5199 6.5270 6.5270
6.6964 6.6964 7.3975 7.3975 7.6251 7.6251 7.9943 7.9943
8.0853 8.0853 8.3037 8.3037 8.3919 8.3919 8.6328 8.6328
11.8991 11.8991 11.9071 11.9071 12.4796 12.4796 14.1952 14.1952
k = 0.2791-0.1611 0.2279 ( 3247 PWs) bands (ev):
-5.3645 -5.3645 -2.1144 -2.1144 -1.3363 -1.3363 -1.3348 -1.3348
-0.0060 -0.0060 1.0487 1.0487 2.4110 2.4110 2.4115 2.4115
3.1887 3.1887 3.2694 3.2694 4.0793 4.0793 5.3420 5.3420
5.3546 5.3546 6.1523 6.1523 6.4489 6.4489 6.4552 6.4552
6.5977 6.5977 7.3917 7.3917 7.5453 7.5453 7.9686 7.9686
8.0567 8.0567 8.3037 8.3037 8.3851 8.3851 8.6207 8.6207
11.8045 11.8045 11.8134 11.8134 12.5586 12.5586 14.1567 14.1567
k = 0.2907-0.1678 0.2374 ( 3250 PWs) bands (ev):
-5.3260 -5.3260 -2.1887 -2.1887 -1.3653 -1.3653 -1.3638 -1.3638
-0.0435 -0.0435 0.9831 0.9831 2.4918 2.4918 2.4923 2.4923
3.2915 3.2915 3.3135 3.3135 4.1764 4.1764 5.3962 5.3962
5.4091 5.4091 6.2294 6.2294 6.3809 6.3809 6.3867 6.3867
6.4993 6.4993 7.3853 7.3853 7.4685 7.4685 7.9424 7.9424
8.0278 8.0278 8.3036 8.3036 8.3790 8.3790 8.6084 8.6084
11.7086 11.7086 11.7185 11.7185 12.6295 12.6295 14.1198 14.1198
k = 0.3023-0.1745 0.2468 ( 3246 PWs) bands (ev):
-5.2867 -5.2867 -2.2620 -2.2620 -1.3930 -1.3930 -1.3915 -1.3915
-0.0791 -0.0791 0.9202 0.9202 2.5729 2.5729 2.5733 2.5733
3.3590 3.3590 3.3950 3.3950 4.2724 4.2724 5.4459 5.4459
5.4588 5.4588 6.2985 6.2985 6.3190 6.3190 6.3240 6.3240
6.4016 6.4016 7.3780 7.3780 7.3976 7.3976 7.9156 7.9156
7.9983 7.9983 8.3032 8.3032 8.3733 8.3733 8.5960 8.5960
11.6121 11.6121 11.6232 11.6232 12.6910 12.6910 14.0844 14.0844
k = 0.3140-0.1813 0.2563 ( 3246 PWs) bands (ev):
-5.2469 -5.2469 -2.3340 -2.3340 -1.4194 -1.4194 -1.4178 -1.4178
-0.1128 -0.1128 0.8600 0.8600 2.6540 2.6540 2.6543 2.6543
3.4057 3.4057 3.4990 3.4990 4.3668 4.3668 5.4877 5.4877
5.5003 5.5003 6.2646 6.2646 6.2709 6.2709 6.3049 6.3049
6.3578 6.3578 7.3363 7.3363 7.3698 7.3698 7.8880 7.8880
7.9679 7.9679 8.3022 8.3022 8.3680 8.3680 8.5836 8.5836
11.5159 11.5159 11.5282 11.5282 12.7424 12.7424 14.0507 14.0507
k = 0.3256-0.1880 0.2658 ( 3238 PWs) bands (ev):
-5.2067 -5.2067 -2.4045 -2.4045 -1.4444 -1.4444 -1.4427 -1.4427
-0.1445 -0.1445 0.8028 0.8028 2.7349 2.7349 2.7353 2.7353
3.4535 3.4535 3.6035 3.6035 4.4595 4.4595 5.5171 5.5171
5.5291 5.5291 6.2094 6.2094 6.2247 6.2247 6.2321 6.2321
6.4002 6.4002 7.2894 7.2894 7.3608 7.3608 7.8592 7.8592
7.9362 7.9362 8.3003 8.3003 8.3631 8.3631 8.5712 8.5712
11.4208 11.4208 11.4344 11.4344 12.7831 12.7831 14.0188 14.0188
k = 0.3372-0.1947 0.2753 ( 3230 PWs) bands (ev):
-5.1663 -5.1663 -2.4734 -2.4734 -1.4678 -1.4678 -1.4662 -1.4662
-0.1743 -0.1743 0.7488 0.7488 2.8156 2.8156 2.8159 2.8159
3.5023 3.5023 3.7082 3.7082 4.5499 4.5499 5.5294 5.5294
5.5402 5.5402 6.1155 6.1155 6.2034 6.2034 6.2127 6.2127
6.4210 6.4210 7.2622 7.2622 7.3509 7.3509 7.8291 7.8291
7.9031 7.9031 8.2974 8.2974 8.3583 8.3583 8.5589 8.5589
11.3275 11.3275 11.3425 11.3425 12.8130 12.8130 13.9887 13.9887
k = 0.3488-0.2014 0.2848 ( 3230 PWs) bands (ev):
-5.1260 -5.1260 -2.5403 -2.5403 -1.4899 -1.4899 -1.4882 -1.4882
-0.2021 -0.2021 0.6980 0.6980 2.8957 2.8957 2.8960 2.8960
3.5519 3.5519 3.8133 3.8133 4.6378 4.6378 5.5214 5.5214
5.5306 5.5306 6.0235 6.0235 6.2040 6.2040 6.2159 6.2159
6.4167 6.4167 7.2583 7.2583 7.3401 7.3401 7.7974 7.7974
7.8680 7.8680 8.2932 8.2932 8.3537 8.3537 8.5470 8.5470
11.2366 11.2366 11.2531 11.2531 12.8324 12.8324 13.9605 13.9605
k = 0.3605-0.2081 0.2943 ( 3238 PWs) bands (ev):
-5.0860 -5.0860 -2.6049 -2.6049 -1.5104 -1.5104 -1.5087 -1.5087
-0.2280 -0.2280 0.6506 0.6506 2.9750 2.9750 2.9752 2.9752
3.6020 3.6020 3.9184 3.9184 4.7227 4.7227 5.4938 5.4938
5.5013 5.5013 5.9337 5.9337 6.2259 6.2259 6.2408 6.2408
6.3874 6.3874 7.2773 7.2773 7.3285 7.3285 7.7638 7.7638
7.8308 7.8308 8.2876 8.2876 8.3493 8.3493 8.5355 8.5355
11.1490 11.1490 11.1671 11.1671 12.8417 12.8417 13.9341 13.9341
k = 0.3721-0.2148 0.3038 ( 3242 PWs) bands (ev):
-5.0466 -5.0466 -2.6671 -2.6671 -1.5293 -1.5293 -1.5276 -1.5276
-0.2518 -0.2518 0.6066 0.6066 3.0531 3.0531 3.0533 3.0533
3.6525 3.6525 4.0236 4.0236 4.8041 4.8041 5.4505 5.4505
5.4566 5.4566 5.8465 5.8465 6.2642 6.2642 6.2835 6.2835
6.3382 6.3382 7.3152 7.3152 7.3161 7.3161 7.7282 7.7282
7.7913 7.7913 8.2803 8.2803 8.3449 8.3449 8.5245 8.5245
11.0654 11.0654 11.0851 11.0851 12.8421 12.8421 13.9098 13.9098
k = 0.3837-0.2215 0.3133 ( 3234 PWs) bands (ev):
-5.0082 -5.0082 -2.7264 -2.7264 -1.5467 -1.5467 -1.5450 -1.5450
-0.2736 -0.2736 0.5663 0.5663 3.1298 3.1298 3.1299 3.1299
3.7028 3.7028 4.1287 4.1287 4.8814 4.8814 5.3965 5.3965
5.4015 5.4015 5.7623 5.7623 6.2645 6.2645 6.3239 6.3239
6.3390 6.3390 7.3033 7.3033 7.3662 7.3662 7.6906 7.6906
7.7493 7.7493 8.2713 8.2713 8.3407 8.3407 8.5142 8.5142
10.9864 10.9864 11.0077 11.0077 12.8347 12.8347 13.8875 13.8875
k = 0.3953-0.2283 0.3228 ( 3250 PWs) bands (ev):
-4.9712 -4.9712 -2.7823 -2.7823 -1.5625 -1.5625 -1.5607 -1.5607
-0.2933 -0.2933 0.5295 0.5295 3.2044 3.2044 3.2045 3.2045
3.7527 3.7527 4.2335 4.2335 4.9543 4.9543 5.3363 5.3363
5.3405 5.3405 5.6816 5.6816 6.1893 6.1893 6.3828 6.3828
6.4032 6.4032 7.2900 7.2900 7.4247 7.4247 7.6512 7.6512
7.7046 7.7046 8.2602 8.2602 8.3366 8.3366 8.5047 8.5047
10.9127 10.9127 10.9356 10.9356 12.8211 12.8211 13.8672 13.8672
k = 0.4070-0.2350 0.3323 ( 3250 PWs) bands (ev):
-4.9360 -4.9360 -2.8345 -2.8345 -1.5767 -1.5767 -1.5749 -1.5749
-0.3110 -0.3110 0.4965 0.4965 3.2764 3.2764 3.2765 3.2765
3.8016 3.8016 4.3379 4.3379 5.0220 5.0220 5.2732 5.2732
5.2769 5.2769 5.6050 5.6050 6.1044 6.1044 6.4495 6.4495
6.4730 6.4730 7.2766 7.2766 7.4851 7.4851 7.6118 7.6118
7.6571 7.6571 8.2472 8.2472 8.3327 8.3327 8.4960 8.4960
10.8449 10.8449 10.8695 10.8695 12.8030 12.8030 13.8489 13.8489
k = 0.4186-0.2417 0.3418 ( 3254 PWs) bands (ev):
-4.9030 -4.9030 -2.8824 -2.8824 -1.5892 -1.5892 -1.5874 -1.5874
-0.3267 -0.3267 0.4673 0.4673 3.3450 3.3450 3.3451 3.3451
3.8488 3.8488 4.4415 4.4415 5.0839 5.0839 5.2100 5.2100
5.2133 5.2133 5.5333 5.5333 6.0147 6.0147 6.5198 6.5198
6.5463 6.5463 7.2634 7.2634 7.5268 7.5268 7.5900 7.5900
7.6068 7.6068 8.2318 8.2318 8.3289 8.3289 8.4884 8.4884
10.7836 10.7836 10.8098 10.8098 12.7819 12.7819 13.8328 13.8328
k = 0.4302-0.2484 0.3513 ( 3246 PWs) bands (ev):
-4.8729 -4.8729 -2.9255 -2.9255 -1.6001 -1.6001 -1.5983 -1.5983
-0.3402 -0.3402 0.4418 0.4418 3.4092 3.4092 3.4094 3.4094
3.8935 3.8935 4.5438 4.5438 5.1394 5.1394 5.1488 5.1488
5.1519 5.1519 5.4672 5.4672 5.9223 5.9223 6.5915 6.5915
6.6214 6.6214 7.2509 7.2509 7.5013 7.5013 7.5539 7.5539
7.6326 7.6326 8.2142 8.2142 8.3255 8.3255 8.4817 8.4817
10.7294 10.7294 10.7570 10.7570 12.7596 12.7596 13.8187 13.8187
k = 0.4419-0.2551 0.3608 ( 3262 PWs) bands (ev):
-4.8461 -4.8461 -2.9633 -2.9633 -1.6094 -1.6094 -1.6076 -1.6076
-0.3517 -0.3517 0.4202 0.4202 3.4678 3.4678 3.4681 3.4681
3.9347 3.9347 4.6439 4.6439 5.0918 5.0918 5.0946 5.0946
5.1879 5.1879 5.4079 5.4079 5.8291 5.8291 6.6630 6.6630
6.6965 6.6965 7.2393 7.2393 7.4553 7.4553 7.4988 7.4988
7.6915 7.6915 8.1941 8.1941 8.3224 8.3224 8.4760 8.4760
10.6826 10.6826 10.7115 10.7115 12.7377 12.7377 13.8068 13.8068
k = 0.4535-0.2618 0.3703 ( 3262 PWs) bands (ev):
-4.8232 -4.8232 -2.9953 -2.9953 -1.6169 -1.6169 -1.6151 -1.6151
-0.3611 -0.3611 0.4025 0.4025 3.5194 3.5194 3.5197 3.5197
3.9713 3.9713 4.7407 4.7407 5.0409 5.0409 5.0436 5.0436
5.2286 5.2286 5.3565 5.3565 5.7374 5.7374 6.7323 6.7323
6.7702 6.7702 7.2293 7.2293 7.4060 7.4060 7.4424 7.4424
7.7488 7.7488 8.1721 8.1721 8.3197 8.3197 8.4714 8.4714
10.6438 10.6438 10.6738 10.6738 12.7176 12.7176 13.7971 13.7971
k = 0.4651-0.2685 0.3798 ( 3262 PWs) bands (ev):
-4.8047 -4.8047 -3.0208 -3.0208 -1.6228 -1.6228 -1.6210 -1.6210
-0.3685 -0.3685 0.3887 0.3887 3.5622 3.5622 3.5627 3.5627
4.0017 4.0017 4.8313 4.8313 4.9982 4.9982 5.0009 5.0009
5.2610 5.2610 5.3144 5.3144 5.6503 5.6503 6.7970 6.7970
6.8400 6.8400 7.2213 7.2213 7.3571 7.3571 7.3861 7.3861
7.8010 7.8010 8.1488 8.1488 8.3175 8.3175 8.4679 8.4679
10.6132 10.6132 10.6442 10.6442 12.7006 12.7006 13.7895 13.7895
k = 0.4767-0.2752 0.3893 ( 3250 PWs) bands (ev):
-4.7911 -4.7911 -3.0393 -3.0393 -1.6271 -1.6271 -1.6252 -1.6252
-0.3737 -0.3737 0.3789 0.3789 3.5946 3.5946 3.5951 3.5951
4.0248 4.0248 4.9108 4.9108 4.9659 4.9659 4.9685 4.9685
5.2828 5.2828 5.2848 5.2848 5.5730 5.5730 6.8531 6.8531
6.9022 6.9022 7.2162 7.2162 7.3126 7.3126 7.3332 7.3332
7.8449 7.8449 8.1262 8.1262 8.3158 8.3158 8.4654 8.4654
10.5912 10.5912 10.6229 10.6229 12.6876 12.6876 13.7840 13.7840
k = 0.4884-0.2820 0.3988 ( 3250 PWs) bands (ev):
-4.7828 -4.7828 -3.0506 -3.0506 -1.6296 -1.6296 -1.6278 -1.6278
-0.3768 -0.3768 0.3730 0.3730 3.6148 3.6148 3.6153 3.6153
4.0393 4.0393 4.9454 4.9454 4.9482 4.9482 4.9695 4.9695
5.2636 5.2636 5.2989 5.2989 5.5158 5.5158 6.8935 6.8935
6.9487 6.9487 7.2145 7.2145 7.2792 7.2792 7.2906 7.2906
7.8760 7.8760 8.1082 8.1082 8.3148 8.3148 8.4638 8.4638
10.5779 10.5779 10.6100 10.6100 12.6796 12.6796 13.7808 13.7808
k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev):
-4.7800 -4.7800 -3.0544 -3.0544 -1.6304 -1.6304 -1.6286 -1.6286
-0.3779 -0.3779 0.3710 0.3710 3.6217 3.6217 3.6222 3.6222
4.0442 4.0442 4.9386 4.9386 4.9412 4.9412 4.9919 4.9919
5.2570 5.2570 5.3037 5.3037 5.4937 5.4937 6.9088 6.9088
6.9670 6.9670 7.2152 7.2152 7.2662 7.2662 7.2725 7.2725
7.8876 7.8876 8.1010 8.1010 8.3145 8.3145 8.4633 8.4633
10.5734 10.5734 10.6057 10.6057 12.6768 12.6768 13.7797 13.7797
k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev):
-4.7800 -4.7800 -3.0544 -3.0544 -1.6304 -1.6304 -1.6286 -1.6286
-0.3779 -0.3779 0.3710 0.3710 3.6217 3.6217 3.6222 3.6222
4.0442 4.0442 4.9386 4.9386 4.9412 4.9412 4.9919 4.9919
5.2570 5.2570 5.3037 5.3037 5.4937 5.4937 6.9088 6.9088
6.9670 6.9670 7.2152 7.2152 7.2662 7.2662 7.2725 7.2725
7.8876 7.8876 8.1010 8.1010 8.3145 8.3145 8.4633 8.4633
10.5734 10.5734 10.6057 10.6057 12.6768 12.6768 13.7797 13.7797
k = 0.5000-0.2756 0.4175 ( 3250 PWs) bands (ev):
-4.7799 -4.7799 -3.0535 -3.0535 -1.6350 -1.6350 -1.6312 -1.6312
-0.3708 -0.3708 0.3755 0.3755 3.6104 3.6104 3.6221 3.6221
4.0355 4.0355 4.9349 4.9349 4.9405 4.9405 4.9978 4.9978
5.2612 5.2612 5.3030 5.3030 5.5056 5.5056 6.9092 6.9092
6.9672 6.9672 7.2116 7.2116 7.2636 7.2636 7.2721 7.2721
7.8891 7.8891 8.1041 8.1041 8.3163 8.3163 8.4639 8.4639
10.5746 10.5746 10.6068 10.6068 12.6788 12.6788 13.7638 13.7638
k = 0.5000-0.2624 0.4268 ( 3258 PWs) bands (ev):
-4.7795 -4.7795 -3.0505 -3.0505 -1.6504 -1.6504 -1.6371 -1.6371
-0.3499 -0.3499 0.3890 0.3890 3.5766 3.5766 3.6227 3.6227
4.0097 4.0097 4.9230 4.9230 4.9409 4.9409 5.0136 5.0136
5.2746 5.2746 5.3009 5.3009 5.5392 5.5392 6.9102 6.9102
6.9679 6.9679 7.2020 7.2020 7.2503 7.2503 7.2756 7.2756
7.8935 7.8935 8.1127 8.1127 8.3217 8.3217 8.4657 8.4657
10.5780 10.5780 10.6103 10.6103 12.6846 12.6846 13.7192 13.7192
k = 0.5000-0.2493 0.4361 ( 3262 PWs) bands (ev):
-4.7788 -4.7788 -3.0456 -3.0456 -1.6751 -1.6751 -1.6464 -1.6464
-0.3162 -0.3162 0.4113 0.4113 3.5232 3.5232 3.6235 3.6235
3.9678 3.9678 4.9070 4.9070 4.9420 4.9420 5.0346 5.0346
5.2972 5.2972 5.2994 5.2994 5.5897 5.5897 6.9118 6.9118
6.9691 6.9691 7.1884 7.1884 7.2283 7.2283 7.2804 7.2804
7.9008 7.9008 8.1246 8.1246 8.3312 8.3312 8.4694 8.4694
10.5834 10.5834 10.6164 10.6164 12.6942 12.6942 13.6525 13.6525
k = 0.5000-0.2362 0.4454 ( 3262 PWs) bands (ev):
-4.7778 -4.7778 -3.0387 -3.0387 -1.7076 -1.7076 -1.6589 -1.6589
-0.2710 -0.2710 0.4420 0.4420 3.4536 3.4536 3.6248 3.6248
3.9112 3.9112 4.8907 4.8907 4.9436 4.9436 5.0553 5.0553
5.2926 5.2926 5.3375 5.3375 5.6522 5.6522 6.9139 6.9139
6.9710 6.9710 7.1712 7.1712 7.2004 7.2004 7.2848 7.2848
7.9109 7.9109 8.1373 8.1373 8.3446 8.3446 8.4760 8.4760
10.5904 10.5904 10.6256 10.6256 12.7075 12.7075 13.5702 13.5702
k = 0.5000-0.2231 0.4546 ( 3258 PWs) bands (ev):
-4.7767 -4.7767 -3.0298 -3.0298 -1.7466 -1.7466 -1.6742 -1.6742
-0.2159 -0.2159 0.4807 0.4807 3.3711 3.3711 3.6263 3.6263
3.8419 3.8419 4.8764 4.8764 4.9456 4.9456 5.0718 5.0718
5.2866 5.2866 5.3896 5.3896 5.7223 5.7223 6.9164 6.9164
6.9735 6.9735 7.1491 7.1491 7.1707 7.1707 7.2879 7.2879
7.9236 7.9236 8.1481 8.1481 8.3605 8.3605 8.4877 8.4877
10.5984 10.5984 10.6385 10.6385 12.7244 12.7244 13.4770 13.4770
k = 0.5000-0.2099 0.4639 ( 3250 PWs) bands (ev):
-4.7753 -4.7753 -3.0189 -3.0189 -1.7905 -1.7905 -1.6918 -1.6918
-0.1523 -0.1523 0.5269 0.5269 3.2786 3.2786 3.6281 3.6281
3.7617 3.7617 4.8650 4.8650 4.9481 4.9481 5.0831 5.0831
5.2796 5.2796 5.4538 5.4538 5.7970 5.7970 6.9190 6.9190
6.9767 6.9767 7.1182 7.1182 7.1450 7.1450 7.2895 7.2895
7.9387 7.9387 8.1559 8.1559 8.3759 8.3759 8.5070 8.5070
10.6071 10.6071 10.6553 10.6553 12.7447 12.7447 13.3761 13.3761
k = 0.5000-0.1968 0.4732 ( 3246 PWs) bands (ev):
-4.7737 -4.7737 -3.0061 -3.0061 -1.8381 -1.8381 -1.7112 -1.7112
-0.0814 -0.0814 0.5800 0.5800 3.1785 3.1785 3.6302 3.6302
3.6729 3.6729 4.8567 4.8567 4.9509 4.9509 5.0900 5.0900
5.2717 5.2717 5.5267 5.5267 5.8738 5.8738 6.9216 6.9216
6.9804 6.9804 7.0814 7.0814 7.1225 7.1225 7.2894 7.2894
7.9559 7.9559 8.1604 8.1604 8.3876 8.3876 8.5357 8.5357
10.6164 10.6164 10.6765 10.6765 12.7682 12.7682 13.2696 13.2696
k = 0.5000-0.1837 0.4825 ( 3246 PWs) bands (ev):
-4.7719 -4.7719 -2.9914 -2.9914 -1.8883 -1.8883 -1.7319 -1.7319
-0.0044 -0.0044 0.6396 0.6396 3.0726 3.0726 3.5770 3.5770
3.6325 3.6325 4.8512 4.8512 4.9542 4.9542 5.0935 5.0935
5.2631 5.2631 5.6054 5.6054 5.9510 5.9510 6.9236 6.9236
6.9839 6.9839 7.0435 7.0435 7.1005 7.1005 7.2875 7.2875
7.9749 7.9749 8.1619 8.1619 8.3946 8.3946 8.5732 8.5732
10.6261 10.6261 10.7021 10.7021 12.7944 12.7944 13.1589 13.1589
k = 0.5000-0.1706 0.4918 ( 3238 PWs) bands (ev):
-4.7701 -4.7701 -2.9746 -2.9746 -1.9402 -1.9402 -1.7533 -1.7533
0.0779 0.0779 0.7049 0.7049 2.9623 2.9623 3.4758 3.4758
3.6349 3.6349 4.8483 4.8483 4.9579 4.9579 5.0945 5.0945
5.2539 5.2539 5.6876 5.6876 6.0273 6.0273 6.9237 6.9237
6.9850 6.9850 7.0098 7.0098 7.0788 7.0788 7.2837 7.2837
7.9954 7.9954 8.1611 8.1611 8.3979 8.3979 8.6170 8.6170
10.6361 10.6361 10.7321 10.7321 12.8232 12.8232 13.0450 13.0450
k = 0.5000-0.1575 0.5010 ( 3234 PWs) bands (ev):
-4.7681 -4.7681 -2.9560 -2.9560 -1.9931 -1.9931 -1.7750 -1.7750
0.1647 0.1647 0.7756 0.7756 2.8488 2.8488 3.3704 3.3704
3.6375 3.6375 4.8474 4.8474 4.9620 4.9620 5.0939 5.0939
5.2445 5.2445 5.7712 5.7712 6.1015 6.1015 6.9171 6.9171
6.9722 6.9722 6.9962 6.9962 7.0583 7.0583 7.2780 7.2780
8.0171 8.0171 8.1585 8.1585 8.3983 8.3983 8.6645 8.6645
10.6465 10.6465 10.7668 10.7668 12.8540 12.8540 12.9289 12.9289
k = 0.5000-0.1443 0.5103 ( 3236 PWs) bands (ev):
-4.7661 -4.7661 -2.9354 -2.9354 -2.0466 -2.0466 -1.7966 -1.7966
0.2555 0.2555 0.8510 0.8510 2.7328 2.7328 3.2620 3.2620
3.6401 3.6401 4.8481 4.8481 4.9665 4.9665 5.0919 5.0919
5.2349 5.2349 5.8551 5.8551 6.1727 6.1727 6.8961 6.8961
6.9620 6.9620 6.9909 6.9909 7.0426 7.0426 7.2703 7.2703
8.0394 8.0394 8.1547 8.1547 8.3967 8.3967 8.7138 8.7138
10.6571 10.6571 10.8062 10.8062 12.8112 12.8112 12.8863 12.8863
k = 0.5000-0.1312 0.5196 ( 3234 PWs) bands (ev):
-4.7641 -4.7641 -2.9129 -2.9129 -2.1001 -2.1001 -1.8175 -1.8175
0.3497 0.3497 0.9306 0.9306 2.6150 2.6150 3.1515 3.1515
3.6428 3.6428 4.8500 4.8500 4.9713 4.9713 5.0888 5.0888
5.2253 5.2253 5.9382 5.9382 6.2401 6.2401 6.8659 6.8659
6.9624 6.9624 6.9767 6.9767 7.0362 7.0362 7.2608 7.2608
8.0619 8.0619 8.1503 8.1503 8.3935 8.3935 8.7632 8.7632
10.6677 10.6677 10.8505 10.8505 12.6927 12.6927 12.9196 12.9196
k = 0.5000-0.1181 0.5289 ( 3222 PWs) bands (ev):
-4.7621 -4.7621 -2.8884 -2.8884 -2.1533 -2.1533 -1.8375 -1.8375
0.4471 0.4471 1.0139 1.0139 2.4961 2.4961 3.0398 3.0398
3.6454 3.6454 4.8527 4.8527 4.9764 4.9764 5.0850 5.0850
5.2161 5.2161 6.0196 6.0196 6.3029 6.3029 6.8343 6.8343
6.9543 6.9543 6.9675 6.9675 7.0374 7.0374 7.2495 7.2495
8.0837 8.0837 8.1461 8.1461 8.3892 8.3892 8.8115 8.8115
10.6781 10.6781 10.8998 10.8998 12.5738 12.5738 12.9530 12.9530
k = 0.5000-0.1050 0.5381 ( 3226 PWs) bands (ev):
-4.7602 -4.7602 -2.8621 -2.8621 -2.2059 -2.2059 -1.8562 -1.8562
0.5473 0.5473 1.1004 1.1004 2.3763 2.3763 2.9275 2.9275
3.6479 3.6479 4.8561 4.8561 4.9818 4.9818 5.0805 5.0805
5.2072 5.2072 6.0988 6.0988 6.3602 6.3602 6.8045 6.8045
6.9274 6.9274 6.9749 6.9749 7.0416 7.0416 7.2364 7.2364
8.1027 8.1027 8.1442 8.1442 8.3835 8.3835 8.8576 8.8576
10.6882 10.6882 10.9542 10.9542 12.4553 12.4553 12.9859 12.9859
k = 0.5000-0.0919 0.5474 ( 3236 PWs) bands (ev):
-4.7585 -4.7585 -2.8339 -2.8339 -2.2577 -2.2577 -1.8733 -1.8733
0.6500 0.6500 1.1895 1.1895 2.2562 2.2562 2.8155 2.8155
3.6503 3.6503 4.8597 4.8597 4.9875 4.9875 5.0755 5.0755
5.1990 5.1990 6.1752 6.1752 6.4113 6.4113 6.7777 6.7777
6.8978 6.8978 6.9840 6.9840 7.0467 7.0467 7.2218 7.2218
8.1134 8.1134 8.1501 8.1501 8.3768 8.3768 8.9005 8.9005
10.6978 10.6978 11.0138 11.0138 12.3375 12.3375 13.0172 13.0172
k = 0.5000-0.0787 0.5567 ( 3236 PWs) bands (ev):
-4.7568 -4.7568 -2.8038 -2.8038 -2.3085 -2.3085 -1.8887 -1.8887
0.7551 0.7551 1.2803 1.2803 2.1359 2.1359 2.7047 2.7047
3.6525 3.6525 4.8633 4.8633 4.9934 4.9934 5.0701 5.0701
5.1915 5.1915 6.2485 6.2485 6.4555 6.4555 6.7549 6.7549
6.8662 6.8662 6.9945 6.9945 7.0521 7.0521 7.2058 7.2058
8.1139 8.1139 8.1656 8.1656 8.3692 8.3692 8.9396 8.9396
10.7066 10.7066 11.0787 11.0787 12.2210 12.2210 13.0461 13.0461
k = 0.5000-0.0656 0.5660 ( 3236 PWs) bands (ev):
-4.7554 -4.7554 -2.7719 -2.7719 -2.3581 -2.3581 -1.9020 -1.9020
0.8622 0.8622 1.3718 1.3718 2.0157 2.0157 2.5961 2.5961
3.6544 3.6544 4.8668 4.8668 4.9995 4.9995 5.0643 5.0643
5.1849 5.1849 6.3183 6.3183 6.4919 6.4919 6.7364 6.7364
6.8329 6.8329 7.0063 7.0063 7.0573 7.0573 7.1886 7.1886
8.1105 8.1105 8.1845 8.1845 8.3606 8.3606 8.9741 8.9741
10.7145 10.7145 11.1489 11.1489 12.1063 12.1063 13.0716 13.0716
k = 0.5000-0.0525 0.5753 ( 3232 PWs) bands (ev):
-4.7541 -4.7541 -2.7381 -2.7381 -2.4065 -2.4065 -1.9131 -1.9131
0.9713 0.9713 1.4624 1.4624 1.8959 1.8959 2.4915 2.4915
3.6561 3.6561 4.8699 4.8699 5.0058 5.0058 5.0582 5.0582
5.1794 5.1794 6.3845 6.3845 6.5199 6.5199 6.7223 6.7223
6.7985 6.7985 7.0189 7.0189 7.0622 7.0622 7.1706 7.1706
8.1064 8.1064 8.2035 8.2035 8.3514 8.3514 9.0033 9.0033
10.7212 10.7212 11.2243 11.2243 11.9939 11.9939 13.0928 13.0928
k = 0.5000-0.0394 0.5845 ( 3232 PWs) bands (ev):
-4.7532 -4.7532 -2.7026 -2.7026 -2.4535 -2.4535 -1.9219 -1.9219
1.0822 1.0822 1.5494 1.5494 1.7767 1.7767 2.3936 2.3936
3.6574 3.6574 4.8725 4.8725 5.0123 5.0123 5.0519 5.0519
5.1749 5.1749 6.4467 6.4467 6.5394 6.5394 6.7101 6.7101
6.7649 6.7649 7.0318 7.0318 7.0674 7.0674 7.1522 7.1522
8.1026 8.1026 8.2211 8.2211 8.3418 8.3418 9.0266 9.0266
10.7266 10.7266 11.3048 11.3048 11.8842 11.8842 13.1090 13.1090
k = 0.5000-0.0262 0.5938 ( 3238 PWs) bands (ev):
-4.7525 -4.7525 -2.6653 -2.6653 -2.4991 -2.4991 -1.9283 -1.9283
1.1947 1.1947 1.6272 1.6272 1.6582 1.6582 2.3079 2.3079
3.6584 3.6584 4.8745 4.8745 5.0189 5.0189 5.0455 5.0455
5.1717 5.1717 6.5049 6.5049 6.5515 6.5515 6.6911 6.6911
6.7399 6.7399 7.0434 7.0434 7.0738 7.0738 7.1337 7.1337
8.0996 8.0996 8.2362 8.2362 8.3326 8.3326 9.0436 9.0436
10.7305 10.7305 11.3903 11.3903 11.7776 11.7776 13.1200 13.1200
k = 0.5000-0.0131 0.6031 ( 3248 PWs) bands (ev):
-4.7520 -4.7520 -2.6263 -2.6263 -2.5431 -2.5431 -1.9321 -1.9321
1.3087 1.3087 1.5406 1.5406 1.6854 1.6854 2.2450 2.2450
3.6590 3.6590 4.8757 4.8757 5.0255 5.0255 5.0389 5.0389
5.1697 5.1697 6.5556 6.5556 6.5604 6.5604 6.6569 6.6569
6.7301 6.7301 7.0511 7.0511 7.0836 7.0836 7.1158 7.1158
8.0977 8.0977 8.2472 8.2472 8.3252 8.3252 9.0539 9.0539
10.7330 10.7330 11.4806 11.4806 11.6746 11.6746 13.1262 13.1262
k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev):
-4.7519 -4.7519 -2.5864 -2.5864 -2.5846 -2.5846 -1.9334 -1.9334
1.4239 1.4239 1.4242 1.4242 1.7081 1.7081 2.2207 2.2207
3.6592 3.6592 4.8761 4.8761 5.0313 5.0313 5.0331 5.0331
5.1691 5.1691 6.5591 6.5591 6.5973 6.5973 6.6238 6.6238
6.7281 6.7281 7.0536 7.0536 7.0942 7.0942 7.1027 7.1027
8.0971 8.0971 8.2514 8.2514 8.3222 8.3222 9.0573 9.0573
10.7338 10.7338 11.5718 11.5718 11.5791 11.5791 13.1282 13.1282
k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev):
-4.7519 -4.7519 -2.5864 -2.5864 -2.5846 -2.5846 -1.9334 -1.9334
1.4239 1.4239 1.4242 1.4242 1.7081 1.7081 2.2207 2.2207
3.6592 3.6592 4.8761 4.8761 5.0313 5.0313 5.0331 5.0331
5.1691 5.1691 6.5591 6.5591 6.5973 6.5973 6.6238 6.6238
6.7281 6.7281 7.0536 7.0536 7.0942 7.0942 7.1027 7.1027
8.0971 8.0971 8.2514 8.2514 8.3222 8.3222 9.0573 9.0573
10.7338 10.7338 11.5718 11.5718 11.5791 11.5791 13.1282 13.1282
k = 0.4922 0.0135 0.6124 ( 3248 PWs) bands (ev):
-4.7524 -4.7524 -2.6133 -2.6133 -2.5576 -2.5576 -1.9304 -1.9304
1.3384 1.3384 1.5044 1.5044 1.7032 1.7032 2.2341 2.2341
3.6548 3.6548 4.8472 4.8472 5.0398 5.0398 5.0561 5.0561
5.1687 5.1687 6.5383 6.5383 6.5749 6.5749 6.6602 6.6602
6.7274 6.7274 7.0400 7.0400 7.0982 7.0982 7.1152 7.1152
8.0964 8.0964 8.2499 8.2499 8.3251 8.3251 9.0565 9.0565
10.7342 10.7342 11.5100 11.5100 11.6417 11.6417 13.1283 13.1283
k = 0.4844 0.0271 0.6124 ( 3243 PWs) bands (ev):
-4.7539 -4.7539 -2.6393 -2.6393 -2.5318 -2.5318 -1.9209 -1.9209
1.2435 1.2435 1.5858 1.5858 1.6907 1.6907 2.2695 2.2695
3.6416 3.6416 4.7864 4.7864 5.0532 5.0532 5.1105 5.1105
5.1682 5.1682 6.5072 6.5072 6.5389 6.5389 6.6964 6.6964
6.7370 6.7370 7.0142 7.0142 7.1135 7.1135 7.1333 7.1333
8.0952 8.0952 8.2449 8.2449 8.3342 8.3342 9.0539 9.0539
10.7353 10.7353 11.4474 11.4474 11.7060 11.7060 13.1284 13.1284
k = 0.4766 0.0406 0.6124 ( 3232 PWs) bands (ev):
-4.7562 -4.7562 -2.6636 -2.6636 -2.5091 -2.5091 -1.9044 -1.9044
1.1426 1.1426 1.6682 1.6682 1.6744 1.6744 2.3201 2.3201
3.6196 3.6196 4.7156 4.7156 5.0707 5.0707 5.1683 5.1683
5.1746 5.1746 6.4745 6.4745 6.4998 6.4998 6.6961 6.6961
6.7758 6.7758 6.9877 6.9877 7.1312 7.1312 7.1528 7.1528
8.0943 8.0943 8.2369 8.2369 8.3483 8.3483 9.0495 9.0495
10.7371 10.7371 11.3875 11.3875 11.7679 11.7679 13.1275 13.1275
k = 0.4688 0.0541 0.6124 ( 3232 PWs) bands (ev):
-4.7590 -4.7590 -2.6862 -2.6862 -2.4902 -2.4902 -1.8807 -1.8807
1.0385 1.0385 1.6569 1.6569 1.7516 1.7516 2.3806 2.3806
3.5892 3.5892 4.6409 4.6409 5.0886 5.0886 5.1753 5.1753
5.2397 5.2397 6.4414 6.4414 6.4585 6.4585 6.6840 6.6840
6.8178 6.8178 6.9626 6.9626 7.1488 7.1488 7.1725 7.1725
8.0946 8.0946 8.2269 8.2269 8.3658 8.3658 9.0432 9.0432
10.7396 10.7396 11.3305 11.3305 11.8267 11.8267 13.1245 13.1245
k = 0.4609 0.0677 0.6124 ( 3228 PWs) bands (ev):
-4.7622 -4.7622 -2.7070 -2.7070 -2.4752 -2.4752 -1.8500 -1.8500
0.9335 0.9335 1.6396 1.6396 1.8357 1.8357 2.4477 2.4477
3.5511 3.5511 4.5640 4.5640 5.1007 5.1007 5.1926 5.1926
5.3061 5.3061 6.4071 6.4071 6.4168 6.4168 6.6681 6.6681
6.8552 6.8552 6.9399 6.9399 7.1656 7.1656 7.1921 7.1921
8.0966 8.0966 8.2160 8.2160 8.3857 8.3857 9.0349 9.0349
10.7427 10.7427 11.2764 11.2764 11.8817 11.8817 13.1185 13.1185
k = 0.4531 0.0812 0.6124 ( 3224 PWs) bands (ev):
-4.7657 -4.7657 -2.7260 -2.7260 -2.4640 -2.4640 -1.8132 -1.8132
0.8295 0.8295 1.6232 1.6232 1.9204 1.9204 2.5190 2.5190
3.5058 3.5058 4.4858 4.4858 5.1043 5.1043 5.2234 5.2234
5.3724 5.3724 6.3652 6.3652 6.3812 6.3812 6.6498 6.6498
6.8844 6.8844 6.9224 6.9224 7.1809 7.1809 7.2112 7.2112
8.1003 8.1003 8.2047 8.2047 8.4070 8.4070 9.0249 9.0249
10.7465 10.7465 11.2251 11.2251 11.9326 11.9326 13.1093 13.1093
k = 0.4453 0.0947 0.6124 ( 3230 PWs) bands (ev):
-4.7693 -4.7693 -2.7433 -2.7433 -2.4562 -2.4562 -1.7713 -1.7713
0.7278 0.7278 1.6081 1.6081 2.0057 2.0057 2.5929 2.5929
3.4543 3.4543 4.4070 4.4070 5.1022 5.1022 5.2642 5.2642
5.4378 5.4378 6.3177 6.3177 6.3503 6.3503 6.6298 6.6298
6.8884 6.8884 6.9272 6.9272 7.1943 7.1943 7.2297 7.2297
8.1056 8.1056 8.1935 8.1935 8.4291 8.4291 9.0131 9.0131
10.7512 10.7512 11.1769 11.1769 11.9790 11.9790 13.0973 13.0973
k = 0.4375 0.1083 0.6124 ( 3224 PWs) bands (ev):
-4.7728 -4.7728 -2.7588 -2.7588 -2.4512 -2.4512 -1.7259 -1.7259
0.6301 0.6301 1.5945 1.5945 2.0913 2.0913 2.6681 2.6681
3.3971 3.3971 4.3283 4.3283 5.0976 5.0976 5.3117 5.3117
5.5018 5.5018 6.2676 6.2676 6.3211 6.3211 6.6087 6.6087
6.8743 6.8743 6.9475 6.9475 7.2058 7.2058 7.2475 7.2475
8.1123 8.1123 8.1827 8.1827 8.4517 8.4517 8.9998 8.9998
10.7569 10.7569 11.1318 11.1318 12.0206 12.0206 13.0832 13.0832
k = 0.4297 0.1218 0.6124 ( 3234 PWs) bands (ev):
-4.7762 -4.7762 -2.7725 -2.7725 -2.4482 -2.4482 -1.6787 -1.6787
0.5375 0.5375 1.5825 1.5825 2.1770 2.1770 2.7435 2.7435
3.3352 3.3352 4.2503 4.2503 5.0919 5.0919 5.3637 5.3637
5.5638 5.5638 6.2154 6.2154 6.2934 6.2934 6.5868 6.5868
6.8594 6.8594 6.9663 6.9663 7.2153 7.2153 7.2643 7.2643
8.1196 8.1196 8.1727 8.1727 8.4742 8.4742 8.9854 8.9854
10.7636 10.7636 11.0897 11.0897 12.0573 12.0573 13.0681 13.0681
k = 0.4219 0.1353 0.6124 ( 3230 PWs) bands (ev):
-4.7793 -4.7793 -2.7843 -2.7843 -2.4468 -2.4468 -1.6314 -1.6314
0.4517 0.4517 1.5720 1.5720 2.2626 2.2626 2.8178 2.8178
3.2693 3.2693 4.1742 4.1742 5.0861 5.0861 5.4189 5.4189
5.6230 5.6230 6.1613 6.1613 6.2670 6.2670 6.5650 6.5650
6.8461 6.8461 6.9819 6.9819 7.2229 7.2229 7.2797 7.2797
8.1268 8.1268 8.1642 8.1642 8.4962 8.4962 8.9702 8.9702
10.7715 10.7715 11.0507 11.0507 12.0892 12.0892 13.0528 13.0528
k = 0.4141 0.1488 0.6124 ( 3234 PWs) bands (ev):
-4.7821 -4.7821 -2.7944 -2.7944 -2.4463 -2.4463 -1.5860 -1.5860
0.3743 0.3743 1.5632 1.5632 2.3476 2.3476 2.8894 2.8894
3.2002 3.2002 4.1012 4.1012 5.0806 5.0806 5.4764 5.4764
5.6786 5.6786 6.1057 6.1057 6.2419 6.2419 6.5440 6.5440
6.8346 6.8346 6.9944 6.9944 7.2289 7.2289 7.2934 7.2934
8.1321 8.1321 8.1586 8.1586 8.5171 8.5171 8.9549 8.9549
10.7807 10.7807 11.0149 11.0149 12.1160 12.1160 13.0383 13.0383
k = 0.4062 0.1624 0.6124 ( 3231 PWs) bands (ev):
-4.7845 -4.7845 -2.8026 -2.8026 -2.4464 -2.4464 -1.5445 -1.5445
0.3070 0.3070 1.5559 1.5559 2.4315 2.4315 2.9563 2.9563
3.1288 3.1288 4.0332 4.0332 5.0758 5.0758 5.5352 5.5352
5.7295 5.7295 6.0490 6.0490 6.2183 6.2183 6.5247 6.5247
6.8252 6.8252 7.0041 7.0041 7.2335 7.2335 7.3052 7.3052
8.1335 8.1335 8.1576 8.1576 8.5362 8.5362 8.9403 8.9403
10.7911 10.7911 10.9825 10.9825 12.1379 12.1379 13.0254 13.0254
k = 0.3984 0.1759 0.6124 ( 3229 PWs) bands (ev):
-4.7864 -4.7864 -2.8090 -2.8090 -2.4468 -2.4468 -1.5091 -1.5091
0.2518 0.2518 1.5503 1.5503 2.5131 2.5131 3.0156 3.0156
3.0566 3.0566 3.9732 3.9732 5.0718 5.0718 5.5943 5.5943
5.7738 5.7738 5.9919 5.9919 6.1967 6.1967 6.5082 6.5082
6.8179 6.8179 7.0113 7.0113 7.2368 7.2368 7.3148 7.3148
8.1312 8.1312 8.1604 8.1604 8.5528 8.5528 8.9271 8.9271
10.8027 10.8027 10.9538 10.9538 12.1549 12.1549 13.0147 13.0147
k = 0.3906 0.1894 0.6124 ( 3227 PWs) bands (ev):
-4.7878 -4.7878 -2.8136 -2.8136 -2.4473 -2.4473 -1.4820 -1.4820
0.2105 0.2105 1.5463 1.5463 2.5901 2.5901 2.9863 2.9863
3.0634 3.0634 3.9249 3.9249 5.0689 5.0689 5.6518 5.6518
5.8093 5.8093 5.9360 5.9360 6.1784 6.1784 6.4955 6.4955
6.8126 6.8126 7.0162 7.0162 7.2390 7.2390 7.3218 7.3218
8.1283 8.1283 8.1640 8.1640 8.5658 8.5658 8.9165 8.9165
10.8146 10.8146 10.9296 10.9296 12.1670 12.1670 13.0066 13.0066
k = 0.3828 0.2030 0.6124 ( 3225 PWs) bands (ev):
-4.7887 -4.7887 -2.8164 -2.8164 -2.4476 -2.4476 -1.4648 -1.4648
0.1850 0.1850 1.5438 1.5438 2.6549 2.6549 2.9253 2.9253
3.0951 3.0951 3.8929 3.8929 5.0671 5.0671 5.7026 5.7026
5.8327 5.8327 5.8862 5.8862 6.1656 6.1656 6.4875 6.4875
6.8094 6.8094 7.0190 7.0190 7.2403 7.2403 7.3261 7.3261
8.1262 8.1262 8.1666 8.1666 8.5741 8.5741 8.9096 8.9096
10.8249 10.8249 10.9117 10.9117 12.1743 12.1743 13.0016 13.0016
k = 0.3750 0.2165 0.6124 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1675 8.1675 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.3750 0.2165 0.6124 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1675 8.1675 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.3668 0.2118 0.5991 ( 3228 PWs) bands (ev):
-4.7965 -4.7965 -2.7857 -2.7857 -2.4943 -2.4943 -1.4371 -1.4371
0.2120 0.2120 1.6780 1.6780 2.6037 2.6037 2.8292 2.8292
3.0347 3.0347 3.8065 3.8065 5.0322 5.0322 5.7804 5.7804
5.9091 5.9091 5.9163 5.9163 6.1269 6.1269 6.4557 6.4557
6.7954 6.7954 7.0053 7.0053 7.2354 7.2354 7.3707 7.3707
8.1429 8.1429 8.1579 8.1579 8.5962 8.5962 8.9664 8.9664
10.8644 10.8644 10.9466 10.9466 12.0569 12.0569 13.0327 13.0327
k = 0.3587 0.2071 0.5857 ( 3226 PWs) bands (ev):
-4.8059 -4.8059 -2.7521 -2.7521 -2.5359 -2.5359 -1.4141 -1.4141
0.2482 0.2482 1.8150 1.8150 2.5234 2.5234 2.7616 2.7616
2.9646 2.9646 3.7338 3.7338 4.9955 4.9955 5.8306 5.8306
5.9639 5.9639 5.9833 5.9833 6.0734 6.0734 6.4304 6.4304
6.7818 6.7818 6.9989 6.9989 7.2277 7.2277 7.4165 7.4165
8.1438 8.1438 8.1637 8.1637 8.6138 8.6138 9.0247 9.0247
10.9019 10.9019 10.9918 10.9918 11.9427 11.9427 13.0670 13.0670
k = 0.3505 0.2024 0.5724 ( 3226 PWs) bands (ev):
-4.8175 -4.8175 -2.7167 -2.7167 -2.5722 -2.5722 -1.3901 -1.3901
0.2850 0.2850 1.9533 1.9533 2.4438 2.4438 2.6942 2.6942
2.8963 2.8963 3.6642 3.6642 4.9565 4.9565 5.8782 5.8782
6.0045 6.0045 6.0160 6.0160 6.0541 6.0541 6.4007 6.4007
6.7676 6.7676 7.0022 7.0022 7.2184 7.2184 7.4640 7.4640
8.1343 8.1343 8.1785 8.1785 8.6296 8.6296 9.0807 9.0807
10.9421 10.9421 11.0407 11.0407 11.8357 11.8357 13.1031 13.1031
k = 0.3424 0.1977 0.5591 ( 3226 PWs) bands (ev):
-4.8313 -4.8313 -2.6794 -2.6794 -2.6029 -2.6029 -1.3652 -1.3652
0.3224 0.3224 2.0915 2.0915 2.3651 2.3651 2.6272 2.6272
2.8298 2.8298 3.5987 3.5987 4.9153 4.9153 5.9219 5.9219
5.9312 5.9312 6.0655 6.0655 6.1230 6.1230 6.3620 6.3620
6.7531 6.7531 7.0157 7.0157 7.2077 7.2077 7.5125 7.5125
8.1249 8.1249 8.1919 8.1919 8.6436 8.6436 9.1327 9.1327
10.9849 10.9849 11.0934 11.0934 11.7377 11.7377 13.1410 13.1410
k = 0.3342 0.1930 0.5458 ( 3236 PWs) bands (ev):
-4.8475 -4.8475 -2.6403 -2.6403 -2.6278 -2.6278 -1.3394 -1.3394
0.3605 0.3605 2.2281 2.2281 2.2875 2.2875 2.5606 2.5606
2.7653 2.7653 3.5387 3.5387 4.8722 4.8722 5.8495 5.8495
5.9633 5.9633 6.1150 6.1150 6.1918 6.1918 6.3132 6.3132
6.7384 6.7384 7.0381 7.0381 7.1956 7.1956 7.5616 7.5616
8.1161 8.1161 8.2033 8.2033 8.6557 8.6557 9.1787 9.1787
11.0304 11.0304 11.1504 11.1504 11.6506 11.6506 13.1805 13.1805
k = 0.3261 0.1883 0.5325 ( 3232 PWs) bands (ev):
-4.8661 -4.8661 -2.6468 -2.6468 -2.5993 -2.5993 -1.3127 -1.3127
0.3993 0.3993 2.2111 2.2111 2.3608 2.3608 2.4948 2.4948
2.7031 2.7031 3.4865 3.4865 4.8271 4.8271 5.7642 5.7642
5.9992 5.9992 6.1634 6.1634 6.2557 6.2557 6.2600 6.2600
6.7245 6.7245 7.0674 7.0674 7.1826 7.1826 7.6110 7.6110
8.1081 8.1081 8.2125 8.2125 8.6661 8.6661 9.2168 9.2168
11.0785 11.0785 11.2119 11.2119 11.5766 11.5766 13.2212 13.2212
k = 0.3179 0.1836 0.5192 ( 3224 PWs) bands (ev):
-4.8871 -4.8871 -2.6598 -2.6598 -2.5565 -2.5565 -1.2854 -1.2854
0.4388 0.4388 2.1360 2.1360 2.4298 2.4298 2.4855 2.4855
2.6432 2.6432 3.4457 3.4457 4.7803 4.7803 5.6751 5.6751
6.0292 6.0292 6.1857 6.1857 6.2168 6.2168 6.3273 6.3273
6.7120 6.7120 7.1005 7.1005 7.1698 7.1698 7.6604 7.6604
8.1011 8.1011 8.2194 8.2194 8.6748 8.6748 9.2450 9.2450
11.1294 11.1294 11.2782 11.2782 11.5176 11.5176 13.2624 13.2624
k = 0.3098 0.1789 0.5059 ( 3224 PWs) bands (ev):
-4.9104 -4.9104 -2.6668 -2.6668 -2.5120 -2.5120 -1.2574 -1.2574
0.4790 0.4790 2.0624 2.0624 2.3657 2.3657 2.5858 2.5858
2.5964 2.5964 3.4222 3.4222 4.7318 4.7318 5.5824 5.5824
6.0514 6.0514 6.1189 6.1189 6.2615 6.2615 6.3935 6.3935
6.7024 6.7024 7.1280 7.1280 7.1652 7.1652 7.7092 7.7092
8.0949 8.0949 8.2242 8.2242 8.6819 8.6819 9.2615 9.2615
11.1828 11.1828 11.3494 11.3494 11.4755 11.4755 13.3028 13.3028
k = 0.3016 0.1741 0.4926 ( 3220 PWs) bands (ev):
-4.9361 -4.9361 -2.6678 -2.6678 -2.4658 -2.4658 -1.2289 -1.2289
0.5196 0.5196 1.9902 1.9902 2.3025 2.3025 2.5311 2.5311
2.6846 2.6846 3.4246 3.4246 4.6817 4.6817 5.4863 5.4863
6.0420 6.0420 6.0687 6.0687 6.3085 6.3085 6.4581 6.4581
6.6973 6.6973 7.1251 7.1251 7.1925 7.1925 7.7573 7.7573
8.0898 8.0898 8.2270 8.2270 8.6874 8.6874 9.2652 9.2652
11.2387 11.2387 11.4256 11.4256 11.4516 11.4516 13.3409 13.3409
k = 0.2935 0.1694 0.4792 ( 3224 PWs) bands (ev):
-4.9638 -4.9638 -2.6630 -2.6630 -2.4178 -2.4178 -1.1999 -1.1999
0.5607 0.5607 1.9197 1.9197 2.2405 2.2405 2.4793 2.4793
2.7418 2.7418 3.4612 3.4612 4.6301 4.6301 5.3865 5.3865
5.9688 5.9688 6.0700 6.0700 6.3551 6.3551 6.5202 6.5202
6.6982 6.6982 7.1103 7.1103 7.2332 7.2332 7.8041 7.8041
8.0858 8.0858 8.2280 8.2280 8.6915 8.6915 9.2555 9.2555
11.2971 11.2971 11.4465 11.4465 11.5069 11.5069 13.3740 13.3740
k = 0.2853 0.1647 0.4659 ( 3228 PWs) bands (ev):
-4.9934 -4.9934 -2.6524 -2.6524 -2.3682 -2.3682 -1.1707 -1.1707
0.6022 0.6022 1.8509 1.8509 2.1795 2.1795 2.4303 2.4303
2.7656 2.7656 3.5338 3.5338 4.5770 4.5770 5.2830 5.2830
5.8938 5.8938 6.0614 6.0614 6.4013 6.4013 6.5784 6.5784
6.7061 6.7061 7.0947 7.0947 7.2764 7.2764 7.8493 7.8493
8.0832 8.0832 8.2276 8.2276 8.6943 8.6943 9.2329 9.2329
11.3578 11.3578 11.4598 11.4598 11.5933 11.5933 13.3987 13.3987
k = 0.2772 0.1600 0.4526 ( 3228 PWs) bands (ev):
-5.0248 -5.0248 -2.6363 -2.6363 -2.3170 -2.3170 -1.1412 -1.1412
0.6438 0.6438 1.7839 1.7839 2.1198 2.1198 2.3845 2.3845
2.7626 2.7626 3.6359 3.6359 4.5226 4.5226 5.1758 5.1758
5.8197 5.8197 6.0413 6.0413 6.4470 6.4470 6.6304 6.6304
6.7215 6.7215 7.0817 7.0817 7.3205 7.3205 7.8922 7.8922
8.0824 8.0824 8.2263 8.2263 8.6959 8.6959 9.1987 9.1987
11.4206 11.4206 11.4904 11.4904 11.6845 11.6845 13.4104 13.4104
k = 0.2690 0.1553 0.4393 ( 3222 PWs) bands (ev):
-5.0577 -5.0577 -2.6149 -2.6149 -2.2642 -2.2642 -1.1116 -1.1116
0.6854 0.6854 1.7188 1.7188 2.0614 2.0614 2.3419 2.3419
2.7420 2.7420 3.7575 3.7575 4.4667 4.4667 5.0650 5.0650
5.7479 5.7479 6.0103 6.0103 6.4922 6.4922 6.6725 6.6725
6.7437 6.7437 7.0751 7.0751 7.3647 7.3647 7.9318 7.9318
8.0840 8.0840 8.2246 8.2246 8.6966 8.6966 9.1545 9.1545
11.4854 11.4854 11.5365 11.5365 11.7805 11.7805 13.4049 13.4049
k = 0.2609 0.1506 0.4260 ( 3234 PWs) bands (ev):
-5.0918 -5.0918 -2.5884 -2.5884 -2.2099 -2.2099 -1.0821 -1.0821
0.7269 0.7269 1.6556 1.6556 2.0043 2.0043 2.3026 2.3026
2.7115 2.7115 3.8904 3.8904 4.4095 4.4095 4.9511 4.9511
5.6794 5.6794 5.9694 5.9694 6.5368 6.5368 6.6995 6.6995
6.7717 6.7717 7.0798 7.0798 7.4085 7.4085 7.9666 7.9666
8.0894 8.0894 8.2229 8.2229 8.6964 8.6964 9.1027 9.1027
11.5518 11.5518 11.5960 11.5960 11.8809 11.8809 13.3796 13.3796
k = 0.2527 0.1459 0.4127 ( 3230 PWs) bands (ev):
-5.1270 -5.1270 -2.5571 -2.5571 -2.1542 -2.1542 -1.0528 -1.0528
0.7680 0.7680 1.5945 1.5945 1.9487 1.9487 2.2669 2.2669
2.6759 2.6759 4.0283 4.0283 4.3509 4.3509 4.8350 4.8350
5.6155 5.6155 5.9203 5.9203 6.5807 6.5807 6.7075 6.7075
6.8043 6.8043 7.0998 7.0998 7.4516 7.4516 7.9943 7.9943
8.1004 8.1004 8.2223 8.2223 8.6956 8.6956 9.0456 9.0456
11.6198 11.6198 11.6666 11.6666 11.9855 11.9855 13.3353 13.3353
k = 0.2446 0.1412 0.3994 ( 3234 PWs) bands (ev):
-5.1629 -5.1629 -2.5211 -2.5211 -2.0971 -2.0971 -1.0238 -1.0238
0.8085 0.8085 1.5354 1.5354 1.8944 1.8944 2.2349 2.2349
2.6381 2.6381 4.1655 4.1655 4.2909 4.2909 4.7189 4.7189
5.5572 5.5572 5.8645 5.8645 6.6231 6.6231 6.6964 6.6964
6.8404 6.8404 7.1354 7.1354 7.4936 7.4936 8.0136 8.0136
8.1178 8.1178 8.2236 8.2236 8.6943 8.6943 8.9852 8.9852
11.6890 11.6890 11.7462 11.7462 12.0939 12.0939 13.2746 13.2746
k = 0.2364 0.1365 0.3861 ( 3228 PWs) bands (ev):
-5.1994 -5.1994 -2.4807 -2.4807 -2.0387 -2.0387 -0.9952 -0.9952
0.8481 0.8481 1.4785 1.4785 1.8416 1.8416 2.2066 2.2066
2.5999 2.5999 4.2293 4.2293 4.2906 4.2906 4.6109 4.6109
5.5066 5.5066 5.8032 5.8032 6.6514 6.6514 6.6820 6.6820
6.8789 6.8789 7.1832 7.1832 7.5342 7.5342 8.0258 8.0258
8.1392 8.1392 8.2286 8.2286 8.6927 8.6927 8.9235 8.9235
11.7590 11.7590 11.8327 11.8327 12.2057 12.2057 13.2005 13.2005
k = 0.2283 0.1318 0.3727 ( 3238 PWs) bands (ev):
-5.2362 -5.2362 -2.4362 -2.4362 -1.9791 -1.9791 -0.9673 -0.9673
0.8865 0.8865 1.4239 1.4239 1.7904 1.7904 2.1822 2.1822
2.5626 2.5626 4.1662 4.1662 4.3524 4.3524 4.5587 4.5587
5.4664 5.4664 5.7378 5.7378 6.6189 6.6189 6.7148 6.7148
6.9190 6.9190 7.2391 7.2391 7.5729 7.5729 8.0339 8.0339
8.1596 8.1596 8.2395 8.2395 8.6908 8.6908 8.8621 8.8621
11.8295 11.8295 11.9242 11.9242 12.3205 12.3205 13.1155 13.1155
k = 0.2201 0.1271 0.3594 ( 3222 PWs) bands (ev):
-5.2730 -5.2730 -2.3878 -2.3878 -1.9183 -1.9183 -0.9399 -0.9399
0.9235 0.9235 1.3716 1.3716 1.7407 1.7407 2.1619 2.1619
2.5269 2.5269 4.1013 4.1013 4.2820 4.2820 4.6262 4.6262
5.4412 5.4412 5.6693 5.6693 6.5676 6.5676 6.7558 6.7558
6.9597 6.9597 7.3002 7.3002 7.6096 7.6096 8.0405 8.0405
8.1760 8.1760 8.2576 8.2576 8.6889 8.6889 8.8026 8.8026
11.9001 11.9001 12.0190 12.0190 12.4380 12.4380 13.0217 13.0217
k = 0.2120 0.1224 0.3461 ( 3238 PWs) bands (ev):
-5.3098 -5.3098 -2.3357 -2.3357 -1.8565 -1.8565 -0.9135 -0.9135
0.9588 0.9588 1.3217 1.3217 1.6926 1.6926 2.1456 2.1456
2.4934 2.4934 4.0348 4.0348 4.1652 4.1652 4.7201 4.7201
5.4384 5.4384 5.5987 5.5987 6.5071 6.5071 6.7968 6.7968
7.0006 7.0006 7.3642 7.3642 7.6437 7.6437 8.0469 8.0469
8.1886 8.1886 8.2816 8.2816 8.6868 8.6868 8.7462 8.7462
11.9705 11.9705 12.1155 12.1155 12.5576 12.5576 12.9209 12.9209
k = 0.2038 0.1177 0.3328 ( 3246 PWs) bands (ev):
-5.3463 -5.3463 -2.2801 -2.2801 -1.7938 -1.7938 -0.8880 -0.8880
0.9920 0.9920 1.2743 1.2743 1.6461 1.6461 2.1336 2.1336
2.4625 2.4625 3.9663 3.9663 4.0387 4.0387 4.7948 4.7948
5.4667 5.4667 5.5271 5.5271 6.4394 6.4394 6.8374 6.8374
7.0409 7.0409 7.4300 7.4300 7.6750 7.6750 8.0542 8.0542
8.2000 8.2000 8.3087 8.3087 8.6814 8.6814 8.6973 8.6973
12.0402 12.0402 12.2121 12.2121 12.6790 12.6790 12.8146 12.8146
k = 0.1957 0.1130 0.3195 ( 3246 PWs) bands (ev):
-5.3823 -5.3823 -2.2213 -2.2213 -1.7304 -1.7304 -0.8636 -0.8636
1.0228 1.0228 1.2295 1.2295 1.6012 1.6012 2.1259 2.1259
2.4343 2.4343 3.8959 3.8959 3.9092 3.9092 4.8386 4.8386
5.4546 5.4546 5.5317 5.5317 6.3656 6.3656 6.8773 6.8773
7.0802 7.0802 7.4965 7.4965 7.7031 7.7031 8.0628 8.0628
8.2122 8.2122 8.3370 8.3370 8.6426 8.6426 8.6870 8.6870
12.1087 12.1087 12.3074 12.3074 12.7043 12.7043 12.8018 12.8018
k = 0.1875 0.1083 0.3062 ( 3234 PWs) bands (ev):
-5.4177 -5.4177 -2.1593 -2.1593 -1.6663 -1.6663 -0.8403 -0.8403
1.0509 1.0509 1.1873 1.1873 1.5580 1.5580 2.1224 2.1224
2.4090 2.4090 3.7787 3.7787 3.8235 3.8235 4.8536 4.8536
5.3829 5.3829 5.6282 5.6282 6.2864 6.2864 6.9164 6.9164
7.1180 7.1180 7.5629 7.5629 7.7279 7.7279 8.0735 8.0735
8.2261 8.2261 8.3651 8.3651 8.6001 8.6001 8.6863 8.6863
12.1757 12.1757 12.3998 12.3998 12.5914 12.5914 12.9255 12.9255
k = 0.1793 0.1035 0.2929 ( 3244 PWs) bands (ev):
-5.4524 -5.4524 -2.0945 -2.0945 -1.6017 -1.6017 -0.8184 -0.8184
1.0762 1.0762 1.1480 1.1480 1.5165 1.5165 2.1234 2.1234
2.3864 2.3864 3.6486 3.6486 3.7489 3.7489 4.8485 4.8485
5.3120 5.3120 5.7469 5.7469 6.2025 6.2025 6.9545 6.9545
7.1539 7.1539 7.6284 7.6284 7.7493 7.7493 8.0861 8.0861
8.2423 8.2423 8.3923 8.3923 8.5632 8.5632 8.6868 8.6868
12.2406 12.2406 12.4767 12.4767 12.4879 12.4879 13.0497 13.0497
k = 0.1712 0.0988 0.2796 ( 3242 PWs) bands (ev):
-5.4862 -5.4862 -2.0270 -2.0270 -1.5369 -1.5369 -0.7977 -0.7977
1.0983 1.0983 1.1115 1.1115 1.4768 1.4768 2.1286 2.1286
2.3662 2.3662 3.5198 3.5198 3.6723 3.6723 4.8318 4.8318
5.2428 5.2428 5.8785 5.8785 6.1146 6.1146 6.9916 6.9916
7.1876 7.1876 7.6921 7.6921 7.7676 7.7676 8.1013 8.1013
8.2611 8.2611 8.4177 8.4177 8.5333 8.5333 8.6884 8.6884
12.3030 12.3030 12.3618 12.3618 12.5700 12.5700 13.1741 13.1741
k = 0.1630 0.0941 0.2662 ( 3242 PWs) bands (ev):
-5.5190 -5.5190 -1.9569 -1.9569 -1.4720 -1.4720 -0.7784 -0.7784
1.0781 1.0781 1.1172 1.1172 1.4387 1.4387 2.1382 2.1382
2.3478 2.3478 3.3934 3.3934 3.5935 3.5935 4.8090 4.8090
5.1756 5.1756 6.0113 6.0113 6.0287 6.0287 7.0277 7.0277
7.2188 7.2188 7.7526 7.7526 7.7835 7.7835 8.1189 8.1189
8.2823 8.2823 8.4391 8.4391 8.5130 8.5130 8.6911 8.6911
12.2471 12.2471 12.3625 12.3625 12.6449 12.6449 13.2981 13.2981
k = 0.1549 0.0894 0.2529 ( 3242 PWs) bands (ev):
-5.5507 -5.5507 -1.8846 -1.8846 -1.4073 -1.4073 -0.7606 -0.7606
1.0478 1.0478 1.1329 1.1329 1.4025 1.4025 2.1520 2.1520
2.3301 2.3301 3.2709 3.2709 3.5128 3.5128 4.7832 4.7832
5.1110 5.1110 5.9282 5.9282 6.1583 6.1583 7.0625 7.0625
7.2474 7.2474 7.7935 7.7935 7.8126 7.8126 8.1393 8.1393
8.3061 8.3061 8.4514 8.4514 8.5079 8.5079 8.6951 8.6951
12.1337 12.1337 12.4186 12.4186 12.7112 12.7112 13.4215 13.4215
k = 0.1467 0.0847 0.2396 ( 3239 PWs) bands (ev):
-5.5812 -5.5812 -1.8101 -1.8101 -1.3429 -1.3429 -0.7441 -0.7441
1.0209 1.0209 1.1453 1.1453 1.3679 1.3679 2.1699 2.1699
2.3114 2.3114 3.1540 3.1540 3.4302 3.4302 4.7565 4.7565
5.0492 5.0492 5.8320 5.8320 6.2986 6.2986 7.0960 7.0960
7.2733 7.2733 7.8058 7.8058 7.8633 7.8633 8.1624 8.1624
8.3320 8.3320 8.4536 8.4536 8.5196 8.5196 8.7003 8.7003
12.0224 12.0224 12.4710 12.4710 12.7680 12.7680 13.5437 13.5437
k = 0.1386 0.0800 0.2263 ( 3239 PWs) bands (ev):
-5.6104 -5.6104 -1.7338 -1.7338 -1.2793 -1.2793 -0.7291 -0.7291
0.9973 0.9973 1.1546 1.1546 1.3352 1.3352 2.1918 2.1918
2.2896 2.2896 3.0450 3.0450 3.3459 3.3459 4.7300 4.7300
4.9905 4.9905 5.7340 5.7340 6.4365 6.4365 7.1281 7.1281
7.2965 7.2965 7.8159 7.8159 7.9082 7.9082 8.1884 8.1884
8.3600 8.3600 8.4554 8.4554 8.5390 8.5390 8.7069 8.7069
11.9137 11.9137 12.5194 12.5194 12.8145 12.8145 13.5838 13.5838
k = 0.1304 0.0753 0.2130 ( 3239 PWs) bands (ev):
-5.6383 -5.6383 -1.6558 -1.6558 -1.2166 -1.2166 -0.7155 -0.7155
0.9773 0.9773 1.1610 1.1610 1.3043 1.3043 2.2175 2.2175
2.2614 2.2614 2.9470 2.9470 3.2602 3.2602 4.7043 4.7043
4.9351 4.9351 5.6351 5.6351 6.5700 6.5700 7.1588 7.1588
7.3171 7.3171 7.8256 7.8256 7.9451 7.9451 8.2175 8.2175
8.3896 8.3896 8.4632 8.4632 8.5605 8.5605 8.7149 8.7149
11.8084 11.8084 12.5636 12.5636 12.8505 12.8505 13.5378 13.5378
k = 0.1223 0.0706 0.1997 ( 3253 PWs) bands (ev):
-5.6648 -5.6648 -1.5764 -1.5764 -1.1553 -1.1553 -0.7033 -0.7033
0.9611 0.9611 1.1648 1.1648 1.2752 1.2752 2.2232 2.2232
2.2466 2.2466 2.8635 2.8635 3.1734 3.1734 4.6800 4.6800
4.8833 4.8833 5.5358 5.5358 6.6973 6.6973 7.1878 7.1878
7.3352 7.3352 7.8355 7.8355 7.9735 7.9735 8.2492 8.2492
8.4206 8.4206 8.4787 8.4787 8.5821 8.5821 8.7240 8.7240
11.7069 11.7069 12.6033 12.6033 12.8766 12.8766 13.4882 13.4882
k = 0.1141 0.0659 0.1864 ( 3253 PWs) bands (ev):
-5.6899 -5.6899 -1.4959 -1.4959 -1.0956 -1.0956 -0.6924 -0.6924
0.9487 0.9487 1.1663 1.1663 1.2479 1.2479 2.1720 2.1720
2.2791 2.2791 2.7976 2.7976 3.0859 3.0859 4.6573 4.6573
4.8350 4.8350 5.4369 5.4369 6.8166 6.8166 7.2152 7.2152
7.3511 7.3511 7.8463 7.8463 7.9939 7.9939 8.2833 8.2833
8.4527 8.4527 8.5022 8.5022 8.6036 8.6036 8.7343 8.7343
11.6099 11.6099 12.6385 12.6385 12.8933 12.8933 13.4352 13.4352
k = 0.1060 0.0612 0.1731 ( 3257 PWs) bands (ev):
-5.7134 -5.7134 -1.4145 -1.4145 -1.0381 -1.0381 -0.6827 -0.6827
0.9403 0.9403 1.1657 1.1657 1.2224 1.2224 2.1067 2.1067
2.3144 2.3144 2.7501 2.7501 2.9981 2.9981 4.6363 4.6363
4.7903 4.7903 5.3389 5.3389 6.9260 6.9260 7.2409 7.2409
7.3651 7.3651 7.8586 7.8586 8.0075 8.0075 8.3193 8.3193
8.4855 8.4855 8.5327 8.5327 8.6247 8.6247 8.7457 8.7457
11.5177 11.5177 12.6692 12.6692 12.9020 12.9020 13.3793 13.3793
k = 0.0978 0.0565 0.1597 ( 3255 PWs) bands (ev):
-5.7353 -5.7353 -1.3328 -1.3328 -0.9830 -0.9830 -0.6742 -0.6742
0.9360 0.9360 1.1635 1.1635 1.1988 1.1988 2.0290 2.0290
2.3521 2.3521 2.7193 2.7193 2.9107 2.9107 4.6172 4.6172
4.7492 4.7492 5.2424 5.2424 7.0239 7.0239 7.2647 7.2647
7.3775 7.3775 7.8727 7.8727 8.0159 8.0159 8.3573 8.3573
8.5185 8.5185 8.5681 8.5681 8.6456 8.6456 8.7579 8.7579
11.4308 11.4308 12.6955 12.6955 12.9038 12.9038 13.3209 13.3209
k = 0.0897 0.0518 0.1464 ( 3247 PWs) bands (ev):
-5.7556 -5.7556 -1.2511 -1.2511 -0.9308 -0.9308 -0.6668 -0.6668
0.9357 0.9357 1.1598 1.1598 1.1771 1.1771 1.9424 1.9424
2.3919 2.3919 2.7018 2.7018 2.8240 2.8240 4.6000 4.6000
4.7117 4.7117 5.1482 5.1482 7.1090 7.1090 7.2867 7.2867
7.3887 7.3887 7.8886 7.8886 8.0205 8.0205 8.3978 8.3978
8.5513 8.5513 8.6061 8.6061 8.6667 8.6667 8.7707 8.7707
11.3495 11.3495 12.7177 12.7177 12.9001 12.9001 13.2607 13.2607
k = 0.0815 0.0471 0.1331 ( 3241 PWs) bands (ev):
-5.7742 -5.7742 -1.1701 -1.1701 -0.8819 -0.8819 -0.6604 -0.6604
0.9394 0.9394 1.1549 1.1549 1.1573 1.1573 1.8509 1.8509
2.4331 2.4331 2.6936 2.6936 2.7389 2.7389 4.5847 4.5847
4.6778 4.6778 5.0570 5.0570 7.1804 7.1804 7.3067 7.3067
7.3991 7.3991 7.9060 7.9060 8.0226 8.0226 8.4408 8.4408
8.5833 8.5833 8.6434 8.6434 8.6895 8.6895 8.7841 8.7841
11.2742 11.2742 12.7361 12.7361 12.8921 12.8921 13.1995 13.1995
k = 0.0734 0.0424 0.1198 ( 3241 PWs) bands (ev):
-5.7912 -5.7912 -1.0903 -1.0903 -0.8367 -0.8367 -0.6549 -0.6549
0.9469 0.9469 1.1392 1.1392 1.1491 1.1491 1.7580 1.7580
2.4749 2.4749 2.6561 2.6561 2.6919 2.6919 4.5712 4.5712
4.6473 4.6473 4.9695 4.9695 7.2379 7.2379 7.3246 7.3246
7.4091 7.4091 7.9240 7.9240 8.0229 8.0229 8.4862 8.4862
8.6139 8.6139 8.6754 8.6754 8.7168 8.7168 8.7979 8.7979
11.2053 11.2053 12.7510 12.7510 12.8811 12.8811 13.1382 13.1382
k = 0.0652 0.0377 0.1065 ( 3237 PWs) bands (ev):
-5.8064 -5.8064 -1.0127 -1.0127 -0.7954 -0.7954 -0.6503 -0.6503
0.9579 0.9579 1.1230 1.1230 1.1422 1.1422 1.6667 1.6667
2.5168 2.5168 2.5765 2.5765 2.6942 2.6942 4.5595 4.5595
4.6203 4.6203 4.8867 4.8867 7.2823 7.2823 7.3402 7.3402
7.4193 7.4193 7.9419 7.9419 8.0223 8.0223 8.5331 8.5331
8.6424 8.6424 8.7000 8.7000 8.7496 8.7496 8.8122 8.8122
11.1429 11.1429 12.7628 12.7628 12.8682 12.8682 13.0780 13.0780
k = 0.0571 0.0329 0.0932 ( 3233 PWs) bands (ev):
-5.8199 -5.8199 -0.9382 -0.9382 -0.7585 -0.7585 -0.6464 -0.6464
0.9719 0.9719 1.1088 1.1088 1.1342 1.1342 1.5796 1.5796
2.5010 2.5010 2.5578 2.5578 2.6989 2.6989 4.5494 4.5494
4.5967 4.5967 4.8095 4.8095 7.3154 7.3154 7.3534 7.3534
7.4298 7.4298 7.9586 7.9586 8.0211 8.0211 8.5796 8.5796
8.6682 8.6682 8.7198 8.7198 8.7843 8.7843 8.8272 8.8272
11.0874 11.0874 12.7719 12.7719 12.8544 12.8544 13.0201 13.0201
k = 0.0489 0.0282 0.0799 ( 3227 PWs) bands (ev):
-5.8316 -5.8316 -0.8681 -0.8681 -0.7261 -0.7261 -0.6432 -0.6432
0.9880 0.9880 1.0964 1.0964 1.1251 1.1251 1.4993 1.4993
2.4308 2.4308 2.5969 2.5969 2.7046 2.7046 4.5409 4.5409
4.5764 4.5764 4.7389 4.7389 7.3392 7.3392 7.3640 7.3640
7.4402 7.4402 7.9735 7.9735 8.0196 8.0196 8.6234 8.6234
8.6904 8.6904 8.7378 8.7378 8.8173 8.8173 8.8431 8.8431
11.0389 11.0389 12.7788 12.7788 12.8405 12.8405 12.9659 12.9659
k = 0.0408 0.0235 0.0666 ( 3229 PWs) bands (ev):
-5.8416 -5.8416 -0.8039 -0.8039 -0.6985 -0.6985 -0.6406 -0.6406
1.0053 1.0053 1.0860 1.0860 1.1145 1.1145 1.4283 1.4283
2.3674 2.3674 2.6330 2.6330 2.7106 2.7106 4.5337 4.5337
4.5595 4.5595 4.6762 4.6762 7.3562 7.3562 7.3721 7.3721
7.4500 7.4500 7.9861 7.9861 8.0180 8.0180 8.6619 8.6619
8.7083 8.7083 8.7548 8.7548 8.8468 8.8468 8.8605 8.8605
10.9976 10.9976 12.7838 12.7838 12.8273 12.8273 12.9168 12.9168
k = 0.0326 0.0188 0.0532 ( 3233 PWs) bands (ev):
-5.8498 -5.8498 -0.7473 -0.7473 -0.6758 -0.6758 -0.6386 -0.6386
1.0226 1.0226 1.0774 1.0774 1.1022 1.1022 1.3692 1.3692
2.3121 2.3121 2.6648 2.6648 2.7162 2.7162 4.5278 4.5278
4.5459 4.5459 4.6225 4.6225 7.3683 7.3683 7.3780 7.3780
7.4584 7.4584 7.9963 7.9963 8.0166 8.0166 8.6930 8.6930
8.7221 8.7221 8.7705 8.7705 8.8717 8.8717 8.8791 8.8791
10.9636 10.9636 12.7874 12.7874 12.8156 12.8156 12.8742 12.8742
k = 0.0245 0.0141 0.0399 ( 3233 PWs) bands (ev):
-5.8562 -5.8562 -0.7003 -0.7003 -0.6581 -0.6581 -0.6371 -0.6371
1.0383 1.0383 1.0707 1.0707 1.0886 1.0886 1.3238 1.3238
2.2666 2.2666 2.6913 2.6913 2.7210 2.7210 4.5227 4.5227
4.5357 4.5357 4.5793 4.5793 7.3768 7.3768 7.3822 7.3822
7.4652 7.4652 8.0041 8.0041 8.0154 8.0154 8.7162 8.7162
8.7321 8.7321 8.7836 8.7836 8.8921 8.8921 8.8969 8.8969
10.9370 10.9370 12.7898 12.7898 12.8059 12.8059 12.8395 12.8395
k = 0.0163 0.0094 0.0266 ( 3245 PWs) bands (ev):
-5.8607 -5.8607 -0.6649 -0.6649 -0.6454 -0.6454 -0.6361 -0.6361
1.0510 1.0510 1.0660 1.0660 1.0756 1.0756 1.2927 1.2927
2.2325 2.2325 2.7111 2.7111 2.7246 2.7246 4.5181 4.5181
4.5291 4.5291 4.5478 4.5478 7.3824 7.3824 7.3848 7.3848
7.4700 7.4700 8.0095 8.0095 8.0145 8.0145 8.7320 8.7320
8.7388 8.7388 8.7931 8.7931 8.9083 8.9083 8.9110 8.9110
10.9180 10.9180 12.7914 12.7914 12.7986 12.7986 12.8137 12.8137
k = 0.0082 0.0047 0.0133 ( 3259 PWs) bands (ev):
-5.8635 -5.8635 -0.6428 -0.6428 -0.6378 -0.6378 -0.6354 -0.6354
1.0592 1.0592 1.0630 1.0630 1.0660 1.0660 1.2750 1.2750
2.2114 2.2114 2.7235 2.7235 2.7269 2.7269 4.5136 4.5136
4.5256 4.5256 4.5297 4.5297 7.3856 7.3856 7.3862 7.3862
7.4728 7.4728 8.0126 8.0126 8.0139 8.0139 8.7411 8.7411
8.7428 8.7428 8.7988 8.7988 8.9190 8.9190 8.9198 8.9198
10.9065 10.9065 12.7922 12.7922 12.7940 12.7940 12.7979 12.7979
k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev):
-5.8644 -5.8644 -0.6359 -0.6359 -0.6350 -0.6350 -0.6350 -0.6350
1.0616 1.0616 1.0616 1.0616 1.0633 1.0633 1.2693 1.2693
2.2043 2.2043 2.7276 2.7276 2.7276 2.7276 4.5112 4.5112
4.5245 4.5245 4.5245 4.5245 7.3866 7.3866 7.3866 7.3866
7.4737 7.4737 8.0135 8.0135 8.0135 8.0135 8.7440 8.7440
8.7440 8.7440 8.8007 8.8007 8.9228 8.9228 8.9228 8.9228
10.9027 10.9027 12.7923 12.7923 12.7923 12.7923 12.7928 12.7928
k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev):
-5.8644 -5.8644 -0.6359 -0.6359 -0.6350 -0.6350 -0.6350 -0.6350
1.0616 1.0616 1.0616 1.0616 1.0633 1.0633 1.2693 1.2693
2.2043 2.2043 2.7276 2.7276 2.7276 2.7276 4.5112 4.5112
4.5245 4.5245 4.5245 4.5245 7.3866 7.3866 7.3866 7.3866
7.4737 7.4737 8.0135 8.0135 8.0135 8.0135 8.7440 8.7440
8.7440 8.7440 8.8007 8.8007 8.9228 8.9228 8.9228 8.9228
10.9027 10.9027 12.7923 12.7923 12.7923 12.7923 12.7928 12.7928
k = 0.0135 0.0078 0.0055 ( 3257 PWs) bands (ev):
-5.8634 -5.8634 -0.6439 -0.6439 -0.6366 -0.6366 -0.6360 -0.6360
1.0599 1.0599 1.0635 1.0635 1.0648 1.0648 1.2752 1.2752
2.2116 2.2116 2.7251 2.7251 2.7251 2.7251 4.5135 4.5135
4.5262 4.5262 4.5296 4.5296 7.3857 7.3857 7.3861 7.3861
7.4728 7.4728 8.0131 8.0131 8.0135 8.0135 8.7410 8.7410
8.7427 8.7427 8.7988 8.7988 8.9190 8.9190 8.9196 8.9196
10.9067 10.9067 12.7921 12.7921 12.7959 12.7959 12.7963 12.7963
k = 0.0270 0.0156 0.0110 ( 3248 PWs) bands (ev):
-5.8606 -5.8606 -0.6690 -0.6690 -0.6396 -0.6396 -0.6390 -0.6390
1.0526 1.0526 1.0693 1.0693 1.0704 1.0704 1.2937 1.2937
2.2334 2.2334 2.7175 2.7175 2.7176 2.7176 4.5136 4.5136
4.5377 4.5377 4.5447 4.5447 7.3825 7.3825 7.3845 7.3845
7.4698 7.4698 8.0111 8.0111 8.0127 8.0127 8.7317 8.7317
8.7386 8.7386 8.7927 8.7927 8.9081 8.9081 8.9107 8.9107
10.9184 10.9184 12.7911 12.7911 12.8065 12.8065 12.8068 12.8068
k = 0.0405 0.0234 0.0166 ( 3236 PWs) bands (ev):
-5.8559 -5.8559 -0.7095 -0.7095 -0.6445 -0.6445 -0.6439 -0.6439
1.0385 1.0385 1.0787 1.0787 1.0798 1.0798 1.3259 1.3259
2.2685 2.2685 2.7054 2.7054 2.7056 2.7056 4.5089 4.5089
4.5615 4.5615 4.5696 4.5696 7.3770 7.3770 7.3814 7.3814
7.4648 7.4648 8.0079 8.0079 8.0115 8.0115 8.7161 8.7161
8.7311 8.7311 8.7818 8.7818 8.8913 8.8913 8.8975 8.8975
10.9380 10.9380 12.7893 12.7893 12.8235 12.8235 12.8239 12.8239
k = 0.0541 0.0312 0.0221 ( 3233 PWs) bands (ev):
-5.8494 -5.8494 -0.7633 -0.7633 -0.6513 -0.6513 -0.6507 -0.6507
1.0173 1.0173 1.0916 1.0916 1.0927 1.0927 1.3716 1.3716
2.3156 2.3156 2.6893 2.6893 2.6896 2.6896 4.5016 4.5016
4.5952 4.5952 4.6035 4.6035 7.3688 7.3688 7.3765 7.3765
7.4575 7.4575 8.0031 8.0031 8.0097 8.0097 8.6939 8.6939
8.7192 8.7192 8.7652 8.7652 8.8706 8.8706 8.8824 8.8824
10.9654 10.9654 12.7869 12.7869 12.8462 12.8462 12.8466 12.8466
k = 0.0676 0.0390 0.0276 ( 3233 PWs) bands (ev):
-5.8409 -5.8409 -0.8285 -0.8285 -0.6598 -0.6598 -0.6592 -0.6592
0.9900 0.9900 1.1077 1.1077 1.1088 1.1088 1.4291 1.4291
2.3730 2.3730 2.6701 2.6701 2.6706 2.6706 4.4922 4.4922
4.6374 4.6374 4.6458 4.6458 7.3575 7.3575 7.3692 7.3692
7.4478 7.4478 7.9967 7.9967 8.0073 8.0073 8.6652 8.6652
8.7016 8.7016 8.7422 8.7422 8.8487 8.8487 8.8678 8.8678
11.0004 11.0004 12.7838 12.7838 12.8736 12.8736 12.8740 12.8740
k = 0.0811 0.0468 0.0331 ( 3233 PWs) bands (ev):
-5.8307 -5.8307 -0.9029 -0.9029 -0.6698 -0.6698 -0.6693 -0.6693
0.9580 0.9580 1.1267 1.1267 1.1277 1.1277 1.4963 1.4963
2.4391 2.4391 2.6487 2.6487 2.6493 2.6493 4.4815 4.4815
4.6873 4.6873 4.6958 4.6958 7.3426 7.3426 7.3586 7.3586
7.4358 7.4358 7.9888 7.9888 8.0044 8.0044 8.6303 8.6303
8.6773 8.6773 8.7133 8.7133 8.8283 8.8283 8.8548 8.8548
11.0430 11.0430 12.7801 12.7801 12.9043 12.9043 12.9047 12.9047
k = 0.0946 0.0546 0.0386 ( 3233 PWs) bands (ev):
-5.8186 -5.8186 -0.9847 -0.9847 -0.6812 -0.6812 -0.6807 -0.6807
0.9229 0.9229 1.1480 1.1480 1.1489 1.1489 1.5711 1.5711
2.5124 2.5124 2.6261 2.6261 2.6269 2.6269 4.4697 4.4697
4.7440 4.7440 4.7525 4.7525 7.3232 7.3232 7.3435 7.3435
7.4215 7.4215 7.9791 7.9791 8.0009 8.0009 8.5901 8.5901
8.6468 8.6468 8.6799 8.6799 8.8110 8.8110 8.8437 8.8437
11.0929 11.0929 12.7758 12.7758 12.9370 12.9370 12.9374 12.9374
k = 0.1081 0.0624 0.0441 ( 3233 PWs) bands (ev):
-5.8047 -5.8047 -1.0722 -1.0722 -0.6937 -0.6937 -0.6933 -0.6933
0.8857 0.8857 1.1712 1.1712 1.1721 1.1721 1.6517 1.6517
2.5917 2.5917 2.6034 2.6034 2.6043 2.6043 4.4574 4.4574
4.8066 4.8066 4.8153 4.8153 7.2986 7.2986 7.3222 7.3222
7.4050 7.4050 7.9677 7.9677 7.9969 7.9969 8.5460 8.5460
8.6118 8.6118 8.6437 8.6437 8.7968 8.7968 8.8339 8.8339
11.1501 11.1501 12.7709 12.7709 12.9703 12.9703 12.9707 12.9707
k = 0.1216 0.0702 0.0497 ( 3227 PWs) bands (ev):
-5.7890 -5.7890 -1.1640 -1.1640 -0.7073 -0.7073 -0.7070 -0.7070
0.8475 0.8475 1.1957 1.1957 1.1965 1.1965 1.7366 1.7366
2.5816 2.5816 2.5827 2.5827 2.6756 2.6756 4.4453 4.4453
4.8744 4.8744 4.8832 4.8832 7.2676 7.2676 7.2934 7.2934
7.3866 7.3866 7.9549 7.9549 7.9925 7.9925 8.4996 8.4996
8.5750 8.5750 8.6061 8.6061 8.7851 8.7851 8.8250 8.8250
11.2144 11.2144 12.7655 12.7655 13.0026 13.0026 13.0029 13.0029
k = 0.1351 0.0780 0.0552 ( 3236 PWs) bands (ev):
-5.7716 -5.7716 -1.2590 -1.2590 -0.7217 -0.7217 -0.7214 -0.7214
0.8088 0.8088 1.2208 1.2208 1.2215 1.2215 1.8248 1.8248
2.5617 2.5617 2.5629 2.5629 2.7629 2.7629 4.4341 4.4341
4.9466 4.9466 4.9555 4.9555 7.2293 7.2293 7.2558 7.2558
7.3658 7.3658 7.9409 7.9409 7.9877 7.9877 8.4526 8.4526
8.5388 8.5388 8.5683 8.5683 8.7751 8.7751 8.8166 8.8166
11.2855 11.2855 12.7597 12.7597 13.0322 13.0322 13.0325 13.0325
k = 0.1486 0.0858 0.0607 ( 3239 PWs) bands (ev):
-5.7524 -5.7524 -1.3564 -1.3564 -0.7368 -0.7368 -0.7365 -0.7365
0.7703 0.7703 1.2458 1.2458 1.2464 1.2464 1.9153 1.9153
2.5449 2.5449 2.5462 2.5462 2.8523 2.8523 4.4244 4.4244
5.0224 5.0224 5.0316 5.0316 7.1828 7.1828 7.2087 7.2087
7.3418 7.3418 7.9265 7.9265 7.9830 7.9830 8.4067 8.4067
8.5053 8.5053 8.5316 8.5316 8.7663 8.7663 8.8085 8.8085
11.3632 11.3632 12.7534 12.7534 13.0574 13.0574 13.0576 13.0576
k = 0.1622 0.0936 0.0662 ( 3242 PWs) bands (ev):
-5.7316 -5.7316 -1.4552 -1.4552 -0.7522 -0.7522 -0.7520 -0.7520
0.7322 0.7322 1.2701 1.2701 1.2705 1.2705 2.0074 2.0074
2.5321 2.5321 2.5334 2.5334 2.9426 2.9426 4.4175 4.4175
5.1012 5.1012 5.1106 5.1106 7.1275 7.1275 7.1521 7.1521
7.3139 7.3139 7.9122 7.9122 7.9784 7.9784 8.3628 8.3628
8.4756 8.4756 8.4970 8.4970 8.7584 8.7584 8.8007 8.8007
11.4472 11.4472 12.7468 12.7468 13.0762 13.0762 13.0762 13.0762
k = 0.1757 0.1014 0.0717 ( 3260 PWs) bands (ev):
-5.7093 -5.7093 -1.5551 -1.5551 -0.7680 -0.7680 -0.7678 -0.7678
0.6948 0.6948 1.2927 1.2927 1.2930 1.2930 2.1007 2.1007
2.5243 2.5243 2.5257 2.5257 3.0324 3.0324 4.4142 4.4142
5.1822 5.1822 5.1920 5.1920 7.0632 7.0632 7.0860 7.0860
7.2809 7.2809 7.8989 7.8989 7.9743 7.9743 8.3217 8.3217
8.4501 8.4501 8.4654 8.4654 8.7512 8.7512 8.7931 8.7931
11.5372 11.5372 12.7399 12.7399 13.0859 13.0859 13.0861 13.0861
k = 0.1892 0.1092 0.0772 ( 3263 PWs) bands (ev):
-5.6852 -5.6852 -1.6552 -1.6552 -0.7839 -0.7839 -0.7838 -0.7838
0.6585 0.6585 1.3131 1.3131 1.3132 1.3132 2.1945 2.1945
2.5225 2.5225 2.5239 2.5239 3.1204 3.1204 4.4159 4.4159
5.2647 5.2647 5.2750 5.2750 6.9901 6.9901 7.0111 7.0111
7.2421 7.2421 7.8872 7.8872 7.9710 7.9710 8.2838 8.2838
8.4291 8.4291 8.4378 8.4378 8.7450 8.7450 8.7859 8.7859
11.6329 11.6329 12.7327 12.7327 13.0842 13.0842 13.0845 13.0845
k = 0.2027 0.1170 0.0828 ( 3263 PWs) bands (ev):
-5.6597 -5.6597 -1.7551 -1.7551 -0.7998 -0.7998 -0.7998 -0.7998
0.6233 0.6233 1.3303 1.3303 1.3305 1.3305 2.2885 2.2885
2.5275 2.5275 2.5289 2.5289 3.2050 3.2050 4.4239 4.4239
5.3480 5.3480 5.3589 5.3589 6.9090 6.9090 6.9285 6.9285
7.1968 7.1968 7.8776 7.8776 7.9687 7.9687 8.2493 8.2493
8.4122 8.4122 8.4146 8.4146 8.7397 8.7397 8.7792 8.7792
11.7340 11.7340 12.7253 12.7253 13.0682 13.0682 13.0687 13.0687
k = 0.2162 0.1248 0.0883 ( 3251 PWs) bands (ev):
-5.6327 -5.6327 -1.8546 -1.8546 -0.8156 -0.8156 -0.8156 -0.8156
0.5894 0.5894 1.3440 1.3440 1.3444 1.3444 2.3822 2.3822
2.5398 2.5398 2.5412 2.5412 3.2848 3.2848 4.4397 4.4397
5.4312 5.4312 5.4429 5.4429 6.8212 6.8212 6.8392 6.8392
7.1445 7.1445 7.8702 7.8702 7.9677 7.9677 8.2182 8.2182
8.3957 8.3957 8.3989 8.3989 8.7356 8.7356 8.7731 8.7731
11.8400 11.8400 12.7179 12.7179 13.0356 13.0356 13.0365 13.0365
k = 0.2297 0.1326 0.0938 ( 3245 PWs) bands (ev):
-5.6044 -5.6044 -1.9531 -1.9531 -0.8312 -0.8312 -0.8312 -0.8312
0.5569 0.5569 1.3538 1.3538 1.3544 1.3544 2.4751 2.4751
2.5600 2.5600 2.5613 2.5613 3.3586 3.3586 4.4644 4.4644
5.5133 5.5133 5.5259 5.5259 6.7280 6.7280 6.7450 6.7450
7.0851 7.0851 7.8651 7.8651 7.9679 7.9679 8.1907 8.1907
8.3808 8.3808 8.3884 8.3884 8.7330 8.7330 8.7681 8.7681
11.9507 11.9507 12.7103 12.7103 12.9854 12.9854 12.9866 12.9866
k = 0.2432 0.1404 0.0993 ( 3239 PWs) bands (ev):
-5.5748 -5.5748 -2.0505 -2.0505 -0.8465 -0.8465 -0.8464 -0.8464
0.5258 0.5258 1.3597 1.3597 1.3606 1.3606 2.5665 2.5665
2.5881 2.5881 2.5893 2.5893 3.4257 3.4257 4.4991 4.4991
5.5928 5.5928 5.6064 5.6064 6.6314 6.6314 6.6478 6.6478
7.0185 7.0185 7.8622 7.8622 7.9694 7.9694 8.1668 8.1668
8.3695 8.3695 8.3801 8.3801 8.7324 8.7324 8.7643 8.7643
12.0654 12.0654 12.7026 12.7026 12.9178 12.9178 12.9194 12.9194
k = 0.2568 0.1482 0.1048 ( 3245 PWs) bands (ev):
-5.5440 -5.5440 -2.1463 -2.1463 -0.8613 -0.8613 -0.8612 -0.8612
0.4963 0.4963 1.3618 1.3618 1.3630 1.3630 2.6239 2.6239
2.6251 2.6251 2.6559 2.6559 3.4860 3.4860 4.5439 4.5439
5.6675 5.6675 5.6824 5.6824 6.5342 6.5342 6.5501 6.5501
6.9450 6.9450 7.8613 7.8613 7.9722 7.9722 8.1464 8.1464
8.3611 8.3611 8.3732 8.3732 8.7339 8.7339 8.7621 8.7621
12.1839 12.1839 12.6951 12.6951 12.8349 12.8349 12.8369 12.8369
k = 0.2703 0.1560 0.1103 ( 3245 PWs) bands (ev):
-5.5122 -5.5122 -2.2403 -2.2403 -0.8757 -0.8757 -0.8755 -0.8755
0.4682 0.4682 1.3605 1.3605 1.3619 1.3619 2.6674 2.6674
2.6685 2.6685 2.7420 2.7420 3.5405 3.5405 4.5987 4.5987
5.7337 5.7337 5.7499 5.7499 6.4405 6.4405 6.4561 6.4561
6.8651 6.8651 7.8622 7.8622 7.9763 7.9763 8.1292 8.1292
8.3550 8.3550 8.3673 8.3673 8.7383 8.7383 8.7620 8.7620
12.3056 12.3056 12.6876 12.6876 12.7393 12.7393 12.7417 12.7417
k = 0.2838 0.1638 0.1159 ( 3245 PWs) bands (ev):
-5.4796 -5.4796 -2.3322 -2.3322 -0.8895 -0.8895 -0.8893 -0.8893
0.4417 0.4417 1.3561 1.3561 1.3577 1.3577 2.7180 2.7180
2.7190 2.7190 2.8237 2.8237 3.5910 3.5910 4.6622 4.6622
5.7847 5.7847 5.8019 5.8019 6.3579 6.3579 6.3729 6.3729
6.7793 6.7793 7.8649 7.8649 7.9815 7.9815 8.1151 8.1151
8.3504 8.3504 8.3616 8.3616 8.7458 8.7458 8.7644 8.7644
12.4299 12.4299 12.6341 12.6341 12.6369 12.6369 12.6802 12.6802
k = 0.2973 0.1716 0.1214 ( 3236 PWs) bands (ev):
-5.4462 -5.4462 -2.4217 -2.4217 -0.9027 -0.9027 -0.9024 -0.9024
0.4169 0.4169 1.3491 1.3491 1.3510 1.3510 2.7752 2.7752
2.7762 2.7762 2.8995 2.8995 3.6400 3.6400 4.7329 4.7329
5.8088 5.8088 5.8253 5.8253 6.2995 6.2995 6.3121 6.3121
6.6883 6.6883 7.8690 7.8690 7.9878 7.9878 8.1037 8.1037
8.3468 8.3468 8.3559 8.3559 8.7568 8.7568 8.7700 8.7700
12.5218 12.5218 12.5250 12.5250 12.5563 12.5563 12.6730 12.6730
k = 0.3108 0.1794 0.1269 ( 3245 PWs) bands (ev):
-5.4123 -5.4123 -2.5084 -2.5084 -0.9152 -0.9152 -0.9149 -0.9149
0.3936 0.3936 1.3403 1.3403 1.3423 1.3423 2.8384 2.8384
2.8393 2.8393 2.9680 2.9680 3.6906 3.6906 4.8088 4.8088
5.7930 5.7930 5.8059 5.8059 6.2796 6.2796 6.2870 6.2870
6.5927 6.5927 7.8744 7.8744 7.9951 7.9951 8.0944 8.0944
8.3434 8.3434 8.3495 8.3495 8.7718 8.7718 8.7791 8.7791
12.4050 12.4050 12.4086 12.4086 12.6661 12.6661 12.6839 12.6839
k = 0.3243 0.1872 0.1324 ( 3245 PWs) bands (ev):
-5.3781 -5.3781 -2.5922 -2.5922 -0.9270 -0.9270 -0.9266 -0.9266
0.3719 0.3719 1.3299 1.3299 1.3322 1.3322 2.9071 2.9071
2.9079 2.9079 3.0277 3.0277 3.7454 3.7454 4.8881 4.8881
5.7363 5.7363 5.7446 5.7446 6.2975 6.2975 6.2986 6.2986
6.4931 6.4931 7.8809 7.8809 8.0033 8.0033 8.0874 8.0874
8.3397 8.3397 8.3425 8.3425 8.7907 8.7907 8.7921 8.7921
12.2855 12.2855 12.2894 12.2894 12.6594 12.6594 12.8121 12.8121
k = 0.3378 0.1951 0.1379 ( 3257 PWs) bands (ev):
-5.3438 -5.3438 -2.6726 -2.6726 -0.9380 -0.9380 -0.9376 -0.9376
0.3518 0.3518 1.3187 1.3187 1.3211 1.3211 2.9805 2.9805
2.9813 2.9813 3.0775 3.0775 3.8068 3.8068 4.9687 4.9687
5.6514 5.6514 5.6560 5.6560 6.3340 6.3340 6.3384 6.3384
6.3903 6.3903 7.8884 7.8884 8.0123 8.0123 8.0821 8.0821
8.3344 8.3344 8.3353 8.3353 8.8093 8.8093 8.8137 8.8137
12.1650 12.1650 12.1692 12.1692 12.6531 12.6531 12.9401 12.9401
k = 0.3514 0.2029 0.1434 ( 3257 PWs) bands (ev):
-5.3098 -5.3098 -2.7493 -2.7493 -0.9482 -0.9482 -0.9478 -0.9478
0.3334 0.3334 1.3070 1.3070 1.3096 1.3096 3.0583 3.0583
3.0591 3.0591 3.1175 3.1175 3.8760 3.8760 5.0489 5.0489
5.5509 5.5509 5.5531 5.5531 6.2840 6.2840 6.3814 6.3814
6.3893 6.3893 7.8969 7.8969 8.0219 8.0219 8.0784 8.0784
8.3255 8.3255 8.3298 8.3298 8.8309 8.8309 8.8407 8.8407
12.0450 12.0450 12.0495 12.0495 12.6471 12.6471 13.0669 13.0669
k = 0.3649 0.2107 0.1490 ( 3245 PWs) bands (ev):
-5.2764 -5.2764 -2.8218 -2.8218 -0.9576 -0.9576 -0.9571 -0.9571
0.3166 0.3166 1.2952 1.2952 1.2980 1.2980 3.1395 3.1395
3.1406 3.1406 3.1483 3.1483 3.9532 3.9532 5.1270 5.1270
5.4425 5.4425 5.4431 5.4431 6.1762 6.1762 6.4318 6.4318
6.4431 6.4431 7.9060 7.9060 8.0320 8.0320 8.0762 8.0762
8.3158 8.3158 8.3233 8.3233 8.8566 8.8566 8.8712 8.8712
11.9270 11.9270 11.9317 11.9317 12.6415 12.6415 13.1914 13.1914
k = 0.3784 0.2185 0.1545 ( 3236 PWs) bands (ev):
-5.2439 -5.2439 -2.8898 -2.8898 -0.9662 -0.9662 -0.9657 -0.9657
0.3014 0.3014 1.2837 1.2837 1.2866 1.2866 3.1706 3.1706
3.2245 3.2245 3.2253 3.2253 4.0379 4.0379 5.2013 5.2013
5.3298 5.3298 5.3304 5.3304 6.0668 6.0668 6.4820 6.4820
6.4960 6.4960 7.9157 7.9157 8.0422 8.0422 8.0754 8.0754
8.3054 8.3054 8.3154 8.3154 8.8861 8.8861 8.9049 8.9049
11.8123 11.8123 11.8172 11.8172 12.6363 12.6363 13.3123 13.3123
k = 0.3919 0.2263 0.1600 ( 3239 PWs) bands (ev):
-5.2128 -5.2128 -2.9528 -2.9528 -0.9739 -0.9739 -0.9734 -0.9734
0.2878 0.2878 1.2727 1.2727 1.2757 1.2757 3.1867 3.1867
3.3117 3.3117 3.3126 3.3126 4.1290 4.1290 5.2153 5.2153
5.2158 5.2158 5.2710 5.2710 5.9567 5.9567 6.5295 6.5295
6.5459 6.5459 7.9257 7.9257 8.0516 8.0516 8.0767 8.0767
8.2946 8.2946 8.3063 8.3063 8.9185 8.9185 8.9409 8.9409
11.7024 11.7024 11.7075 11.7075 12.6316 12.6316 13.4281 13.4281
k = 0.4054 0.2341 0.1655 ( 3233 PWs) bands (ev):
-5.1836 -5.1836 -3.0103 -3.0103 -0.9807 -0.9807 -0.9802 -0.9802
0.2758 0.2758 1.2625 1.2625 1.2656 1.2656 3.1978 3.1978
3.4009 3.4009 3.4019 3.4019 4.2255 4.2255 5.1012 5.1012
5.1027 5.1027 5.3320 5.3320 5.8474 5.8474 6.5731 6.5731
6.5916 6.5916 7.9359 7.9359 8.0584 8.0584 8.0815 8.0815
8.2835 8.2835 8.2962 8.2962 8.9529 8.9529 8.9782 8.9782
11.5988 11.5988 11.6041 11.6041 12.6274 12.6274 13.5374 13.5374
k = 0.4189 0.2419 0.1710 ( 3232 PWs) bands (ev):
-5.1567 -5.1567 -3.0617 -3.0617 -0.9867 -0.9867 -0.9861 -0.9861
0.2654 0.2654 1.2533 1.2533 1.2565 1.2565 3.2052 3.2052
3.4911 3.4911 3.4922 3.4922 4.3263 4.3263 4.9888 4.9888
4.9909 4.9909 5.3822 5.3822 5.7419 5.7419 6.6119 6.6119
6.6321 6.6321 7.9460 7.9460 8.0620 8.0620 8.0903 8.0903
8.2726 8.2726 8.2852 8.2852 8.9881 8.9881 9.0157 9.0157
11.5032 11.5032 11.5087 11.5087 12.6237 12.6237 13.6381 13.6381
k = 0.4324 0.2497 0.1765 ( 3232 PWs) bands (ev):
-5.1327 -5.1327 -3.1065 -3.1065 -0.9917 -0.9917 -0.9912 -0.9912
0.2567 0.2567 1.2453 1.2453 1.2486 1.2486 3.2099 3.2099
3.5810 3.5810 3.5824 3.5824 4.4304 4.4304 4.8797 4.8797
4.8823 4.8823 5.4119 5.4119 5.6490 5.6490 6.6453 6.6453
6.6671 6.6671 7.9556 7.9556 8.0637 8.0637 8.1013 8.1013
8.2622 8.2622 8.2737 8.2737 9.0225 9.0225 9.0519 9.0519
11.4175 11.4175 11.4230 11.4230 12.6205 12.6205 13.7284 13.7284
k = 0.4459 0.2575 0.1821 ( 3220 PWs) bands (ev):
-5.1122 -5.1122 -3.1441 -3.1441 -0.9959 -0.9959 -0.9953 -0.9953
0.2495 0.2495 1.2386 1.2386 1.2419 1.2419 3.2128 3.2128
3.6689 3.6689 3.6706 3.6706 4.5368 4.5368 4.7759 4.7759
4.7790 4.7790 5.3956 5.3956 5.5938 5.5938 6.6730 6.6730
6.6961 6.6961 7.9644 7.9644 8.0647 8.0647 8.1130 8.1130
8.2528 8.2528 8.2621 8.2621 9.0544 9.0544 9.0851 9.0851
11.3434 11.3434 11.3490 11.3490 12.6179 12.6179 13.8058 13.8059
k = 0.4595 0.2653 0.1876 ( 3229 PWs) bands (ev):
-5.0955 -5.0955 -3.1740 -3.1740 -0.9991 -0.9991 -0.9985 -0.9985
0.2439 0.2439 1.2332 1.2332 1.2366 1.2366 3.2145 3.2145
3.7513 3.7513 3.7535 3.7535 4.6446 4.6446 4.6807 4.6807
4.6843 4.6843 5.3224 5.3224 5.5874 5.5874 6.6947 6.6947
6.7188 6.7188 7.9719 7.9719 8.0653 8.0653 8.1244 8.1244
8.2446 8.2446 8.2509 8.2509 9.0818 9.0818 9.1135 9.1135
11.2830 11.2830 11.2887 11.2887 12.6159 12.6159 13.8665 13.8665
k = 0.4730 0.2731 0.1931 ( 3232 PWs) bands (ev):
-5.0833 -5.0833 -3.1958 -3.1958 -1.0014 -1.0014 -1.0008 -1.0008
0.2399 0.2399 1.2294 1.2294 1.2327 1.2327 3.2154 3.2154
3.8229 3.8229 3.8256 3.8256 4.5998 4.5998 4.6041 4.6041
4.7521 4.7521 5.2249 5.2249 5.5981 5.5981 6.7102 6.7102
6.7351 6.7351 7.9778 7.9778 8.0656 8.0656 8.1345 8.1345
8.2384 8.2384 8.2411 8.2411 9.1030 9.1030 9.1354 9.1354
11.2382 11.2382 11.2439 11.2439 12.6144 12.6144 13.8635 13.8635
k = 0.4865 0.2809 0.1986 ( 3214 PWs) bands (ev):
-5.0758 -5.0758 -3.2090 -3.2090 -1.0028 -1.0028 -1.0021 -1.0021
0.2376 0.2376 1.2270 1.2270 1.2304 1.2304 3.2158 3.2158
3.8742 3.8742 3.8775 3.8775 4.5426 4.5426 4.5475 4.5475
4.8537 4.8537 5.1262 5.1262 5.6078 5.6078 6.7197 6.7197
6.7450 6.7450 7.9815 7.9815 8.0659 8.0659 8.1418 8.1418
8.2340 8.2340 8.2345 8.2345 9.1166 9.1166 9.1493 9.1493
11.2106 11.2106 11.2164 11.2164 12.6135 12.6135 13.8426 13.8426
k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev):
-5.0732 -5.0732 -3.2134 -3.2134 -1.0032 -1.0032 -1.0026 -1.0026
0.2368 0.2368 1.2262 1.2262 1.2297 1.2297 3.2160 3.2160
3.8934 3.8934 3.8969 3.8969 4.5214 4.5214 4.5266 4.5266
4.9134 4.9134 5.0671 5.0671 5.6114 5.6114 6.7229 6.7229
6.7483 6.7483 7.9828 7.9828 8.0659 8.0659 8.1445 8.1445
8.2313 8.2313 8.2331 8.2331 9.1212 9.1212 9.1541 9.1541
11.2013 11.2013 11.2070 11.2070 12.6132 12.6132 13.8354 13.8354
k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev):
-5.0732 -5.0732 -3.2134 -3.2134 -1.0032 -1.0032 -1.0026 -1.0026
0.2368 0.2368 1.2262 1.2262 1.2297 1.2297 3.2160 3.2160
3.8934 3.8934 3.8969 3.8969 4.5214 4.5214 4.5266 4.5266
4.9134 4.9134 5.0671 5.0671 5.6114 5.6114 6.7229 6.7229
6.7483 6.7483 7.9828 7.9828 8.0659 8.0659 8.1445 8.1445
8.2313 8.2313 8.2331 8.2331 9.1212 9.1212 9.1541 9.1541
11.2013 11.2013 11.2070 11.2070 12.6132 12.6132 13.8354 13.8354
k = 0.5046 0.2753 0.2117 ( 3216 PWs) bands (ev):
-5.0726 -5.0726 -3.2125 -3.2125 -1.0116 -1.0116 -1.0043 -1.0043
0.2449 0.2449 1.2251 1.2251 1.2317 1.2317 3.2216 3.2216
3.8834 3.8834 3.8904 3.8904 4.5159 4.5159 4.5306 4.5306
4.9263 4.9263 5.0727 5.0727 5.6129 5.6129 6.7233 6.7233
6.7488 6.7488 7.9821 7.9821 8.0625 8.0625 8.1425 8.1425
8.2269 8.2269 8.2335 8.2335 9.1213 9.1213 9.1542 9.1542
11.2007 11.2007 11.2064 11.2064 12.6068 12.6068 13.8362 13.8362
k = 0.5093 0.2619 0.2192 ( 3234 PWs) bands (ev):
-5.0707 -5.0707 -3.2097 -3.2097 -1.0367 -1.0367 -1.0087 -1.0087
0.2686 0.2686 1.2188 1.2188 1.2413 1.2413 3.2380 3.2380
3.8516 3.8516 3.8749 3.8749 4.4957 4.4957 4.5480 4.5480
4.9615 4.9615 5.0894 5.0894 5.6172 5.6172 6.7246 6.7246
6.7502 6.7502 7.9798 7.9798 8.0521 8.0521 8.1373 8.1373
8.2115 8.2115 8.2364 8.2364 9.1213 9.1213 9.1551 9.1551
11.1988 11.1988 11.2045 11.2045 12.5878 12.5878 13.8383 13.8383
k = 0.5139 0.2486 0.2268 ( 3231 PWs) bands (ev):
-5.0675 -5.0675 -3.2050 -3.2050 -1.0764 -1.0764 -1.0158 -1.0158
0.3054 0.3054 1.2087 1.2087 1.2576 1.2576 3.2646 3.2646
3.8021 3.8021 3.8515 3.8515 4.4663 4.4663 4.5757 4.5757
5.0111 5.0111 5.1175 5.1175 5.6247 5.6247 6.7268 6.7268
6.7527 6.7527 7.9759 7.9759 8.0350 8.0350 8.1305 8.1305
8.1861 8.1861 8.2399 8.2399 9.1203 9.1203 9.1572 9.1572
11.1959 11.1959 11.2016 11.2016 12.5571 12.5571 13.8417 13.8417
k = 0.5185 0.2352 0.2344 ( 3229 PWs) bands (ev):
-5.0630 -5.0630 -3.1985 -3.1985 -1.1280 -1.1280 -1.0255 -1.0255
0.3520 0.3520 1.1963 1.1963 1.2803 1.2803 3.2994 3.2994
3.7405 3.7405 3.8216 3.8216 4.4317 4.4317 4.6117 4.6117
5.0656 5.0656 5.1585 5.1585 5.6354 5.6354 6.7299 6.7299
6.7561 6.7561 7.9698 7.9698 8.0118 8.0118 8.1233 8.1233
8.1514 8.1514 8.2427 8.2427 9.1170 9.1170 9.1610 9.1610
11.1921 11.1921 11.1979 11.1979 12.5161 12.5161 13.8453 13.8453
k = 0.5231 0.2219 0.2419 ( 3234 PWs) bands (ev):
-5.0573 -5.0573 -3.1901 -3.1901 -1.1890 -1.1890 -1.0376 -1.0376
0.4045 0.4045 1.1838 1.1838 1.3092 1.3092 3.3386 3.3386
3.6733 3.6733 3.7870 3.7870 4.3939 4.3939 4.6541 4.6541
5.1169 5.1169 5.2142 5.2142 5.6498 5.6498 6.7338 6.7338
6.7605 6.7605 7.9592 7.9592 7.9853 7.9853 8.1070 8.1070
8.1168 8.1168 8.2443 8.2443 9.1111 9.1111 9.1663 9.1663
11.1876 11.1876 11.1939 11.1939 12.4662 12.4662 13.8471 13.8471
k = 0.5278 0.2085 0.2495 ( 3234 PWs) bands (ev):
-5.0503 -5.0503 -3.1799 -3.1799 -1.2570 -1.2570 -1.0519 -1.0519
0.4588 0.4588 1.1740 1.1740 1.3440 1.3440 3.3720 3.3720
3.6129 3.6129 3.7492 3.7492 4.3543 4.3543 4.7013 4.7013
5.1629 5.1629 5.2815 5.2815 5.6685 5.6685 6.7385 6.7385
6.7657 6.7657 7.9359 7.9359 7.9646 7.9646 8.0561 8.0561
8.1087 8.1087 8.2444 8.2444 9.1026 9.1026 9.1723 9.1723
11.1823 11.1823 11.1905 11.1905 12.4091 12.4091 13.8412 13.8412
k = 0.5324 0.1951 0.2570 ( 3234 PWs) bands (ev):
-5.0422 -5.0422 -3.1678 -3.1678 -1.3301 -1.3301 -1.0682 -1.0682
0.5102 0.5102 1.1703 1.1703 1.3845 1.3845 3.3720 3.3720
3.5881 3.5881 3.7094 3.7094 4.3138 4.3138 4.7522 4.7522
5.2057 5.2057 5.3542 5.3542 5.6924 5.6924 6.7439 6.7439
6.7719 6.7719 7.8992 7.8992 7.9504 7.9504 7.9978 7.9978
8.1009 8.1009 8.2431 8.2431 9.0916 9.0916 9.1783 9.1783
11.1760 11.1760 11.1885 11.1885 12.3461 12.3461 13.8210 13.8210
k = 0.5370 0.1818 0.2646 ( 3238 PWs) bands (ev):
-5.0330 -5.0330 -3.1540 -3.1540 -1.4068 -1.4068 -1.0862 -1.0862
0.5536 0.5536 1.1772 1.1772 1.4303 1.4303 3.3197 3.3197
3.6182 3.6182 3.6684 3.6684 4.2733 4.2733 4.8058 4.8058
5.2471 5.2471 5.4267 5.4267 5.7228 5.7228 6.7499 6.7499
6.7788 6.7788 7.8562 7.8562 7.9248 7.9248 7.9443 7.9443
8.0930 8.0930 8.2406 8.2406 9.0781 9.0781 9.1835 9.1835
11.1689 11.1689 11.1883 11.1883 12.2787 12.2787 13.7885 13.7885
k = 0.5417 0.1684 0.2722 ( 3244 PWs) bands (ev):
-5.0227 -5.0227 -3.1384 -3.1384 -1.4859 -1.4859 -1.1056 -1.1056
0.5848 0.5848 1.1986 1.1986 1.4813 1.4813 3.2391 3.2391
3.6267 3.6267 3.6792 3.6792 4.2335 4.2335 4.8614 4.8614
5.2874 5.2874 5.4949 5.4949 5.7612 5.7612 6.7564 6.7564
6.7865 6.7865 7.8090 7.8090 7.8571 7.8571 7.9254 7.9254
8.0849 8.0849 8.2371 8.2371 9.0622 9.0622 9.1876 9.1876
11.1610 11.1610 11.1901 11.1901 12.2082 12.2082 13.7485 13.7485
k = 0.5463 0.1550 0.2797 ( 3233 PWs) bands (ev):
-5.0113 -5.0113 -3.1210 -3.1210 -1.5664 -1.5664 -1.1261 -1.1261
0.6009 0.6009 1.2369 1.2369 1.5370 1.5370 3.1482 3.1482
3.5849 3.5849 3.7525 3.7525 4.1957 4.1957 4.9187 4.9187
5.3268 5.3268 5.5561 5.5561 5.8089 5.8089 6.7632 6.7632
6.7949 6.7949 7.7584 7.7584 7.7803 7.7803 7.9085 7.9085
8.0767 8.0767 8.2332 8.2332 9.0438 9.0438 9.1901 9.1901
11.1526 11.1526 11.1940 11.1940 12.1362 12.1362 13.7039 13.7039
k = 0.5509 0.1417 0.2873 ( 3231 PWs) bands (ev):
-4.9990 -4.9990 -3.1019 -3.1019 -1.6475 -1.6475 -1.1475 -1.1475
0.6024 0.6024 1.2916 1.2916 1.5972 1.5972 3.0529 3.0529
3.5434 3.5434 3.8299 3.8299 4.1619 4.1619 4.9769 4.9769
5.3652 5.3652 5.6094 5.6094 5.8654 5.8654 6.7702 6.7702
6.8037 6.8037 7.6966 7.6966 7.7065 7.7065 7.8897 7.8897
8.0686 8.0686 8.2290 8.2290 9.0231 9.0231 9.1908 9.1908
11.1438 11.1438 11.1996 11.1996 12.0640 12.0640 13.6562 13.6562
k = 0.5556 0.1283 0.2948 ( 3227 PWs) bands (ev):
-4.9858 -4.9858 -3.0812 -3.0812 -1.7286 -1.7286 -1.1696 -1.1696
0.5919 0.5919 1.3599 1.3599 1.6617 1.6617 2.9557 2.9557
3.5023 3.5023 3.9034 3.9034 4.1379 4.1379 5.0359 5.0359
5.4025 5.4025 5.6561 5.6561 5.9285 5.9285 6.7770 6.7770
6.8128 6.8128 7.6113 7.6113 7.6497 7.6497 7.8690 7.8690
8.0607 8.0607 8.2248 8.2248 9.0000 9.0000 9.1896 9.1896
11.1346 11.1346 11.2062 11.2062 11.9935 11.9935 13.6064 13.6064
k = 0.5602 0.1149 0.3024 ( 3229 PWs) bands (ev):
-4.9719 -4.9719 -3.0589 -3.0589 -1.8091 -1.8091 -1.1921 -1.1921
0.5725 0.5725 1.4384 1.4384 1.7302 1.7302 2.8579 2.8579
3.4619 3.4619 3.9554 3.9554 4.1399 4.1399 5.0952 5.0952
5.4385 5.4385 5.6982 5.6982 5.9951 5.9951 6.7834 6.7834
6.8216 6.8216 7.5224 7.5224 7.5915 7.5915 7.8461 7.8461
8.0533 8.0533 8.2210 8.2210 8.9747 8.9747 9.1862 9.1862
11.1250 11.1250 11.2127 11.2127 11.9269 11.9269 13.5552 13.5552
k = 0.5648 0.1016 0.3100 ( 3227 PWs) bands (ev):
-4.9573 -4.9573 -3.0351 -3.0351 -1.8886 -1.8886 -1.2147 -1.2147
0.5471 0.5471 1.5239 1.5239 1.8024 1.8024 2.7604 2.7604
3.4224 3.4224 3.9660 3.9660 4.1869 4.1869 5.1547 5.1547
5.4733 5.4733 5.7377 5.7377 6.0626 6.0626 6.7889 6.7889
6.8292 6.8292 7.4319 7.4319 7.5316 7.5316 7.8211 7.8211
8.0469 8.0469 8.2176 8.2176 8.9474 8.9474 9.1808 9.1808
11.1151 11.1151 11.2170 11.2170 11.8668 11.8668 13.5035 13.5035
k = 0.5694 0.0882 0.3175 ( 3228 PWs) bands (ev):
-4.9421 -4.9421 -3.0100 -3.0100 -1.9665 -1.9665 -1.2374 -1.2374
0.5180 0.5180 1.6138 1.6138 1.8780 1.8780 2.6639 2.6639
3.3839 3.3839 3.9493 3.9493 4.2638 4.2638 5.2140 5.2140
5.5070 5.5070 5.7758 5.7758 6.1285 6.1285 6.7931 6.7931
6.8343 6.8343 7.3424 7.3424 7.4705 7.4705 7.7941 7.7941
8.0417 8.0417 8.2148 8.2148 8.9182 8.9182 9.1731 9.1731
11.1047 11.1047 11.2167 11.2167 11.8166 11.8166 13.4518 13.4518
k = 0.5741 0.0748 0.3251 ( 3228 PWs) bands (ev):
-4.9266 -4.9266 -2.9835 -2.9835 -2.0424 -2.0424 -1.2599 -1.2599
0.4867 0.4867 1.7058 1.7058 1.9569 1.9569 2.5693 2.5693
3.3465 3.3465 3.9238 3.9238 4.3515 4.3515 5.2729 5.2729
5.5396 5.5396 5.8133 5.8133 6.1913 6.1913 6.7946 6.7946
6.8341 6.8341 7.2577 7.2577 7.4088 7.4088 7.7650 7.7650
8.0383 8.0383 8.2126 8.2126 8.8873 8.8873 9.1633 9.1633
11.0937 11.0937 11.2088 11.2088 11.7797 11.7797 13.4008 13.4008
k = 0.5787 0.0615 0.3326 ( 3224 PWs) bands (ev):
-4.9108 -4.9108 -2.9560 -2.9560 -2.1158 -2.1158 -1.2820 -1.2820
0.4544 0.4544 1.7976 1.7976 2.0388 2.0388 2.4780 2.4780
3.3103 3.3103 3.8968 3.8968 4.4421 4.4421 5.3314 5.3314
5.5713 5.5713 5.8507 5.8507 6.2494 6.2494 6.7894 6.7894
6.8266 6.8266 7.1844 7.1844 7.3472 7.3472 7.7338 7.7338
8.0370 8.0370 8.2108 8.2108 8.8552 8.8552 9.1512 9.1512
11.0821 11.0821 11.1912 11.1912 11.7589 11.7589 13.3509 13.3509
k = 0.5833 0.0481 0.3402 ( 3220 PWs) bands (ev):
-4.8949 -4.8949 -2.9277 -2.9277 -2.1860 -2.1860 -1.3037 -1.3037
0.4218 0.4218 1.8852 1.8852 2.1235 2.1235 2.3927 2.3927
3.2754 3.2754 3.8708 3.8708 4.5322 4.5322 5.3890 5.3890
5.6021 5.6021 5.8881 5.8881 6.3017 6.3017 6.7630 6.7630
6.8175 6.8175 7.1314 7.1314 7.2868 7.2868 7.7006 7.7006
8.0382 8.0382 8.2094 8.2094 8.8221 8.8221 9.1368 9.1368
11.0696 11.0696 11.1634 11.1634 11.7553 11.7553 13.3027 13.3027
k = 0.5880 0.0347 0.3478 ( 3230 PWs) bands (ev):
-4.8792 -4.8792 -2.8991 -2.8991 -2.2523 -2.2523 -1.3247 -1.3247
0.3896 0.3896 1.9608 1.9608 2.2107 2.2107 2.3207 2.3207
3.2419 3.2419 3.8472 3.8472 4.6198 4.6198 5.4457 5.4457
5.6320 5.6320 5.9258 5.9258 6.3469 6.3469 6.7049 6.7049
6.8132 6.8132 7.1032 7.1032 7.2291 7.2291 7.6652 7.6652
8.0420 8.0420 8.2081 8.2081 8.7884 8.7884 9.1201 9.1201
11.0559 11.0559 11.1272 11.1272 11.7676 11.7676 13.2567 13.2567
k = 0.5926 0.0214 0.3553 ( 3232 PWs) bands (ev):
-4.8638 -4.8638 -2.8708 -2.8708 -2.3139 -2.3139 -1.3450 -1.3450
0.3581 0.3581 2.0035 2.0035 2.2818 2.2818 2.3001 2.3001
3.2100 3.2100 3.8272 3.8272 4.7032 4.7032 5.5013 5.5013
5.6608 5.6608 5.9635 5.9635 6.3840 6.3840 6.6227 6.6227
6.8106 6.8106 7.0952 7.0952 7.1764 7.1764 7.6278 7.6278
8.0485 8.0485 8.2066 8.2066 8.7546 8.7546 9.1011 9.1011
11.0408 11.0408 11.0857 11.0857 11.7934 11.7934 13.2131 13.2131
k = 0.5972 0.0080 0.3629 ( 3230 PWs) bands (ev):
-4.8490 -4.8490 -2.8438 -2.8438 -2.3693 -2.3693 -1.3645 -1.3645
0.3276 0.3276 1.9880 1.9880 2.3005 2.3005 2.3915 2.3915
3.1799 3.1799 3.8117 3.8117 4.7807 4.7807 5.5558 5.5558
5.6881 5.6881 6.0011 6.0011 6.4119 6.4119 6.5257 6.5257
6.8084 6.8084 7.0950 7.0950 7.1354 7.1354 7.5882 7.5882
8.0578 8.0578 8.2045 8.2045 8.7214 8.7214 9.0797 9.0797
11.0224 11.0224 11.0436 11.0436 11.8298 11.8298 13.1725 13.1725
k = 0.6019-0.0053 0.3704 ( 3227 PWs) bands (ev):
-4.8351 -4.8351 -2.8198 -2.8198 -2.4166 -2.4166 -1.3830 -1.3830
0.2985 0.2985 1.9300 1.9300 2.3600 2.3600 2.4842 2.4842
3.1517 3.1517 3.8019 3.8019 4.8512 4.8512 5.6089 5.6089
5.7131 5.7131 6.0379 6.0379 6.4188 6.4188 6.4319 6.4319
6.8065 6.8065 7.0746 7.0746 7.1307 7.1307 7.5466 7.5466
8.0695 8.0695 8.2014 8.2014 8.6895 8.6895 9.0560 9.0560
10.9913 10.9913 11.0132 11.0132 11.8746 11.8746 13.1350 13.1350
k = 0.6065-0.0187 0.3780 ( 3225 PWs) bands (ev):
-4.8223 -4.8223 -2.8012 -2.8012 -2.4530 -2.4530 -1.4005 -1.4005
0.2707 0.2707 1.8562 1.8562 2.4322 2.4322 2.5778 2.5778
3.1260 3.1260 3.7989 3.7989 4.9134 4.9134 5.6605 5.6605
5.7343 5.7343 6.0726 6.0726 6.3095 6.3095 6.4415 6.4415
6.8051 6.8051 7.0461 7.0461 7.1487 7.1487 7.5029 7.5029
8.0831 8.0831 8.1966 8.1966 8.6596 8.6596 9.0300 9.0300
10.9512 10.9512 10.9924 10.9924 11.9260 11.9260 13.1009 13.1009
k = 0.6111-0.0321 0.3856 ( 3219 PWs) bands (ev):
-4.8110 -4.8110 -2.7910 -2.7910 -2.4753 -2.4753 -1.4169 -1.4169
0.2446 0.2446 1.7778 1.7778 2.5050 2.5050 2.6708 2.6708
3.1039 3.1039 3.8041 3.8041 4.9664 4.9664 5.7106 5.7106
5.7496 5.7496 6.1033 6.1033 6.1965 6.1965 6.4478 6.4478
6.8041 6.8041 7.0254 7.0254 7.1727 7.1727 7.4574 7.4574
8.0980 8.0980 8.1896 8.1896 8.6326 8.6326 9.0020 9.0020
10.9133 10.9133 10.9717 10.9717 11.9828 11.9828 13.0703 13.0703
k = 0.6157-0.0454 0.3931 ( 3222 PWs) bands (ev):
-4.8015 -4.8015 -2.7914 -2.7914 -2.4809 -2.4809 -1.4321 -1.4321
0.2202 0.2202 1.6985 1.6985 2.5731 2.5731 2.7607 2.7607
3.0877 3.0877 3.8188 3.8188 5.0096 5.0096 5.7558 5.7558
5.7593 5.7593 6.0809 6.0809 6.1292 6.1292 6.4549 6.4549
6.8035 6.8035 7.0146 7.0146 7.1990 7.1990 7.4106 7.4106
8.1132 8.1132 8.1800 8.1800 8.6094 8.6094 8.9719 8.9719
10.8798 10.8798 10.9500 10.9500 12.0439 12.0439 13.0433 13.0433
k = 0.6204-0.0588 0.4007 ( 3224 PWs) bands (ev):
-4.7940 -4.7940 -2.8014 -2.8014 -2.4706 -2.4706 -1.4462 -1.4462
0.1974 0.1974 1.6199 1.6199 2.6335 2.6335 2.8409 2.8409
3.0838 3.0838 3.8444 3.8444 5.0429 5.0429 5.7497 5.7497
5.8058 5.8058 5.9663 5.9663 6.1472 6.1472 6.4671 6.4671
6.8041 6.8041 7.0133 7.0133 7.2249 7.2249 7.3643 7.3643
8.1257 8.1257 8.1696 8.1696 8.5908 8.5908 8.9402 8.9402
10.8517 10.8517 10.9276 10.9276 12.1087 12.1087 13.0199 13.0199
k = 0.6250-0.0722 0.4082 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1674 8.1674 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.6250-0.0722 0.4082 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1674 8.1674 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.6172-0.0677 0.4210 ( 3225 PWs) bands (ev):
-4.7887 -4.7887 -2.8164 -2.8164 -2.4476 -2.4476 -1.4648 -1.4648
0.1850 0.1850 1.5438 1.5438 2.6549 2.6549 2.9253 2.9253
3.0951 3.0951 3.8929 3.8929 5.0671 5.0671 5.7026 5.7026
5.8327 5.8327 5.8862 5.8862 6.1656 6.1656 6.4875 6.4875
6.8094 6.8094 7.0190 7.0190 7.2403 7.2403 7.3261 7.3261
8.1262 8.1262 8.1666 8.1666 8.5741 8.5741 8.9096 8.9096
10.8249 10.8249 10.9117 10.9117 12.1743 12.1743 13.0016 13.0016
k = 0.6094-0.0631 0.4338 ( 3227 PWs) bands (ev):
-4.7878 -4.7878 -2.8136 -2.8136 -2.4473 -2.4473 -1.4820 -1.4820
0.2106 0.2106 1.5462 1.5462 2.5901 2.5901 2.9863 2.9863
3.0634 3.0634 3.9249 3.9249 5.0689 5.0689 5.6518 5.6518
5.8093 5.8093 5.9360 5.9360 6.1784 6.1784 6.4955 6.4955
6.8126 6.8126 7.0162 7.0162 7.2390 7.2390 7.3218 7.3218
8.1283 8.1283 8.1640 8.1640 8.5658 8.5658 8.9165 8.9165
10.8146 10.8146 10.9296 10.9296 12.1670 12.1670 13.0066 13.0066
k = 0.6016-0.0586 0.4465 ( 3229 PWs) bands (ev):
-4.7864 -4.7864 -2.8090 -2.8090 -2.4468 -2.4468 -1.5091 -1.5091
0.2518 0.2518 1.5503 1.5503 2.5131 2.5131 3.0156 3.0156
3.0566 3.0566 3.9732 3.9732 5.0718 5.0718 5.5943 5.5943
5.7738 5.7738 5.9919 5.9919 6.1967 6.1967 6.5082 6.5082
6.8179 6.8179 7.0113 7.0113 7.2368 7.2368 7.3148 7.3148
8.1312 8.1312 8.1604 8.1604 8.5528 8.5528 8.9271 8.9271
10.8027 10.8027 10.9538 10.9538 12.1549 12.1549 13.0147 13.0147
k = 0.5938-0.0541 0.4593 ( 3231 PWs) bands (ev):
-4.7845 -4.7845 -2.8026 -2.8026 -2.4465 -2.4465 -1.5445 -1.5445
0.3070 0.3070 1.5559 1.5559 2.4315 2.4315 2.9563 2.9563
3.1288 3.1288 4.0332 4.0332 5.0758 5.0758 5.5352 5.5352
5.7295 5.7295 6.0490 6.0490 6.2183 6.2183 6.5247 6.5247
6.8252 6.8252 7.0041 7.0041 7.2335 7.2335 7.3052 7.3052
8.1335 8.1335 8.1576 8.1576 8.5363 8.5363 8.9403 8.9403
10.7911 10.7911 10.9825 10.9825 12.1379 12.1379 13.0254 13.0254
k = 0.5859-0.0496 0.4720 ( 3234 PWs) bands (ev):
-4.7821 -4.7821 -2.7944 -2.7944 -2.4463 -2.4463 -1.5859 -1.5859
0.3743 0.3743 1.5632 1.5632 2.3476 2.3476 2.8894 2.8894
3.2002 3.2002 4.1012 4.1012 5.0806 5.0806 5.4764 5.4764
5.6786 5.6786 6.1057 6.1057 6.2419 6.2419 6.5440 6.5440
6.8346 6.8346 6.9944 6.9944 7.2289 7.2289 7.2934 7.2934
8.1321 8.1321 8.1586 8.1586 8.5171 8.5171 8.9549 8.9549
10.7807 10.7807 11.0149 11.0149 12.1160 12.1160 13.0383 13.0383
k = 0.5781-0.0451 0.4848 ( 3230 PWs) bands (ev):
-4.7793 -4.7793 -2.7843 -2.7843 -2.4468 -2.4468 -1.6314 -1.6314
0.4517 0.4517 1.5720 1.5720 2.2625 2.2625 2.8178 2.8178
3.2693 3.2693 4.1742 4.1742 5.0861 5.0861 5.4189 5.4189
5.6230 5.6230 6.1613 6.1613 6.2670 6.2670 6.5650 6.5650
6.8461 6.8461 6.9819 6.9819 7.2229 7.2229 7.2797 7.2797
8.1268 8.1268 8.1642 8.1642 8.4962 8.4962 8.9702 8.9702
10.7715 10.7715 11.0507 11.0507 12.0892 12.0892 13.0528 13.0528
k = 0.5703-0.0406 0.4976 ( 3234 PWs) bands (ev):
-4.7762 -4.7762 -2.7725 -2.7725 -2.4482 -2.4482 -1.6787 -1.6787
0.5375 0.5375 1.5825 1.5825 2.1770 2.1770 2.7435 2.7435
3.3352 3.3352 4.2503 4.2503 5.0919 5.0919 5.3637 5.3637
5.5638 5.5638 6.2154 6.2154 6.2934 6.2934 6.5868 6.5868
6.8594 6.8594 6.9663 6.9663 7.2153 7.2153 7.2643 7.2643
8.1195 8.1195 8.1727 8.1727 8.4742 8.4742 8.9854 8.9854
10.7636 10.7636 11.0897 11.0897 12.0573 12.0573 13.0681 13.0681
k = 0.5625-0.0361 0.5103 ( 3224 PWs) bands (ev):
-4.7728 -4.7728 -2.7588 -2.7588 -2.4512 -2.4512 -1.7259 -1.7259
0.6301 0.6301 1.5945 1.5945 2.0913 2.0913 2.6681 2.6681
3.3971 3.3971 4.3283 4.3283 5.0976 5.0976 5.3117 5.3117
5.5018 5.5018 6.2676 6.2676 6.3211 6.3211 6.6087 6.6087
6.8743 6.8743 6.9475 6.9475 7.2058 7.2058 7.2475 7.2475
8.1123 8.1123 8.1827 8.1827 8.4517 8.4517 8.9998 8.9998
10.7569 10.7569 11.1318 11.1318 12.0206 12.0206 13.0832 13.0832
k = 0.5547-0.0316 0.5231 ( 3230 PWs) bands (ev):
-4.7693 -4.7693 -2.7433 -2.7433 -2.4562 -2.4562 -1.7713 -1.7713
0.7278 0.7278 1.6081 1.6081 2.0057 2.0057 2.5929 2.5929
3.4543 3.4543 4.4070 4.4070 5.1022 5.1022 5.2642 5.2642
5.4378 5.4378 6.3177 6.3177 6.3503 6.3503 6.6298 6.6298
6.8884 6.8884 6.9272 6.9272 7.1943 7.1943 7.2297 7.2297
8.1056 8.1056 8.1935 8.1935 8.4291 8.4291 9.0131 9.0131
10.7512 10.7512 11.1769 11.1769 11.9790 11.9790 13.0973 13.0973
k = 0.5469-0.0271 0.5358 ( 3224 PWs) bands (ev):
-4.7657 -4.7657 -2.7260 -2.7260 -2.4640 -2.4640 -1.8132 -1.8132
0.8295 0.8295 1.6232 1.6232 1.9204 1.9204 2.5190 2.5190
3.5058 3.5058 4.4858 4.4858 5.1043 5.1043 5.2234 5.2234
5.3724 5.3724 6.3652 6.3652 6.3812 6.3812 6.6498 6.6498
6.8844 6.8844 6.9224 6.9224 7.1809 7.1809 7.2112 7.2112
8.1003 8.1003 8.2047 8.2047 8.4070 8.4070 9.0249 9.0249
10.7465 10.7465 11.2251 11.2251 11.9326 11.9326 13.1093 13.1093
k = 0.5391-0.0226 0.5486 ( 3228 PWs) bands (ev):
-4.7622 -4.7622 -2.7070 -2.7070 -2.4752 -2.4752 -1.8500 -1.8500
0.9336 0.9336 1.6396 1.6396 1.8357 1.8357 2.4477 2.4477
3.5511 3.5511 4.5639 4.5639 5.1007 5.1007 5.1926 5.1926
5.3062 5.3062 6.4071 6.4071 6.4168 6.4168 6.6681 6.6681
6.8552 6.8552 6.9399 6.9399 7.1656 7.1656 7.1921 7.1921
8.0966 8.0966 8.2160 8.2160 8.3857 8.3857 9.0349 9.0349
10.7427 10.7427 11.2764 11.2764 11.8817 11.8817 13.1185 13.1185
k = 0.5312-0.0180 0.5613 ( 3232 PWs) bands (ev):
-4.7590 -4.7590 -2.6862 -2.6862 -2.4902 -2.4902 -1.8807 -1.8807
1.0385 1.0385 1.6569 1.6569 1.7516 1.7516 2.3806 2.3806
3.5892 3.5892 4.6409 4.6409 5.0886 5.0886 5.1753 5.1753
5.2397 5.2397 6.4414 6.4414 6.4585 6.4585 6.6840 6.6840
6.8179 6.8179 6.9626 6.9626 7.1488 7.1488 7.1725 7.1725
8.0946 8.0946 8.2269 8.2269 8.3658 8.3658 9.0432 9.0432
10.7396 10.7396 11.3305 11.3305 11.8267 11.8267 13.1245 13.1245
k = 0.5234-0.0135 0.5741 ( 3232 PWs) bands (ev):
-4.7562 -4.7562 -2.6636 -2.6636 -2.5091 -2.5091 -1.9044 -1.9044
1.1426 1.1426 1.6682 1.6682 1.6744 1.6744 2.3201 2.3201
3.6196 3.6196 4.7156 4.7156 5.0707 5.0707 5.1683 5.1683
5.1746 5.1746 6.4745 6.4745 6.4998 6.4998 6.6961 6.6961
6.7758 6.7758 6.9877 6.9877 7.1312 7.1312 7.1528 7.1528
8.0943 8.0943 8.2369 8.2369 8.3483 8.3483 9.0495 9.0495
10.7371 10.7371 11.3875 11.3875 11.7679 11.7679 13.1275 13.1275
k = 0.5156-0.0090 0.5869 ( 3243 PWs) bands (ev):
-4.7539 -4.7539 -2.6393 -2.6393 -2.5318 -2.5318 -1.9209 -1.9209
1.2435 1.2435 1.5858 1.5858 1.6907 1.6907 2.2695 2.2695
3.6416 3.6416 4.7864 4.7864 5.0532 5.0532 5.1105 5.1105
5.1682 5.1682 6.5072 6.5072 6.5389 6.5389 6.6965 6.6965
6.7370 6.7370 7.0142 7.0142 7.1135 7.1135 7.1333 7.1333
8.0952 8.0952 8.2449 8.2449 8.3342 8.3342 9.0539 9.0539
10.7353 10.7353 11.4474 11.4474 11.7060 11.7060 13.1284 13.1284
k = 0.5078-0.0045 0.5996 ( 3248 PWs) bands (ev):
-4.7524 -4.7524 -2.6133 -2.6133 -2.5576 -2.5576 -1.9304 -1.9304
1.3384 1.3384 1.5044 1.5044 1.7032 1.7032 2.2341 2.2341
3.6548 3.6548 4.8472 4.8472 5.0398 5.0398 5.0561 5.0561
5.1687 5.1687 6.5383 6.5383 6.5749 6.5749 6.6602 6.6602
6.7274 6.7274 7.0400 7.0400 7.0982 7.0982 7.1152 7.1152
8.0964 8.0964 8.2499 8.2499 8.3251 8.3251 9.0565 9.0565
10.7342 10.7342 11.5100 11.5100 11.6417 11.6417 13.1283 13.1283
k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev):
-4.7519 -4.7519 -2.5864 -2.5864 -2.5846 -2.5846 -1.9334 -1.9334
1.4239 1.4239 1.4242 1.4242 1.7081 1.7081 2.2207 2.2207
3.6592 3.6592 4.8761 4.8761 5.0313 5.0313 5.0331 5.0331
5.1691 5.1691 6.5591 6.5591 6.5973 6.5973 6.6238 6.6238
6.7281 6.7281 7.0536 7.0536 7.0942 7.0942 7.1027 7.1027
8.0971 8.0971 8.2514 8.2514 8.3222 8.3222 9.0573 9.0573
10.7338 10.7338 11.5718 11.5718 11.5791 11.5791 13.1282 13.1282
k = 0.5000-0.0000 0.6124 ( 3248 PWs) bands (ev):
-4.7519 -4.7519 -2.5864 -2.5864 -2.5846 -2.5846 -1.9334 -1.9334
1.4239 1.4239 1.4242 1.4242 1.7081 1.7081 2.2207 2.2207
3.6592 3.6592 4.8761 4.8761 5.0313 5.0313 5.0331 5.0331
5.1691 5.1691 6.5591 6.5591 6.5973 6.5973 6.6238 6.6238
6.7281 6.7281 7.0536 7.0536 7.0942 7.0942 7.1027 7.1027
8.0971 8.0971 8.2514 8.2514 8.3222 8.3222 9.0573 9.0573
10.7338 10.7338 11.5718 11.5718 11.5791 11.5791 13.1282 13.1282
k = 0.5000 0.0093 0.5992 ( 3248 PWs) bands (ev):
-4.7530 -4.7530 -2.5895 -2.5895 -2.5824 -2.5824 -1.9286 -1.9286
1.4144 1.4144 1.4202 1.4202 1.7204 1.7204 2.2258 2.2258
3.6501 3.6501 4.8259 4.8259 5.0293 5.0293 5.0911 5.0911
5.1675 5.1675 6.5124 6.5124 6.6056 6.6056 6.6549 6.6549
6.7241 6.7241 7.0356 7.0356 7.0935 7.0935 7.1282 7.1282
8.0946 8.0946 8.2532 8.2532 8.3249 8.3249 9.0591 9.0591
10.7355 10.7355 11.5706 11.5706 11.5780 11.5780 13.1305 13.1305
k = 0.5000 0.0186 0.5860 ( 3242 PWs) bands (ev):
-4.7562 -4.7562 -2.6007 -2.6007 -2.5737 -2.5737 -1.9147 -1.9147
1.3893 1.3893 1.4089 1.4089 1.7533 1.7533 2.2406 2.2406
3.6231 3.6231 4.7452 4.7452 5.0207 5.0207 5.1622 5.1622
5.1980 5.1980 6.4451 6.4451 6.5996 6.5996 6.6873 6.6873
6.7326 6.7326 7.0115 7.0115 7.0914 7.0914 7.1739 7.1739
8.0881 8.0881 8.2570 8.2570 8.3337 8.3337 9.0642 9.0642
10.7407 10.7407 11.5659 11.5659 11.5756 11.5756 13.1375 13.1375
k = 0.5000 0.0279 0.5729 ( 3236 PWs) bands (ev):
-4.7614 -4.7614 -2.6183 -2.6183 -2.5591 -2.5591 -1.8925 -1.8925
1.3560 1.3560 1.3909 1.3909 1.7998 1.7998 2.2642 2.2642
3.5787 3.5787 4.6693 4.6693 5.0064 5.0064 5.1537 5.1537
5.3165 5.3165 6.3744 6.3744 6.5878 6.5878 6.6689 6.6689
6.7833 6.7833 6.9927 6.9927 7.0880 7.0880 7.2255 7.2255
8.0791 8.0791 8.2601 8.2601 8.3496 8.3496 9.0725 9.0725
10.7496 10.7496 11.5569 11.5569 11.5731 11.5731 13.1490 13.1490
k = 0.5000 0.0372 0.5597 ( 3230 PWs) bands (ev):
-4.7687 -4.7687 -2.6412 -2.6412 -2.5388 -2.5388 -1.8634 -1.8634
1.3195 1.3195 1.3675 1.3675 1.8549 1.8549 2.2954 2.2954
3.5179 3.5179 4.6039 4.6039 4.9864 4.9864 5.1413 5.1413
5.4397 5.4397 6.3025 6.3025 6.5714 6.5714 6.6376 6.6376
6.8392 6.8392 6.9790 6.9790 7.0836 7.0836 7.2794 7.2794
8.0692 8.0692 8.2611 8.2611 8.3726 8.3726 9.0836 9.0836
10.7621 10.7621 11.5439 11.5439 11.5709 11.5709 13.1650 13.1650
k = 0.5000 0.0466 0.5465 ( 3230 PWs) bands (ev):
-4.7778 -4.7778 -2.6680 -2.6680 -2.5130 -2.5130 -1.8288 -1.8288
1.2825 1.2825 1.3396 1.3396 1.9157 1.9157 2.3327 2.3327
3.4427 3.4427 4.5498 4.5498 4.9606 4.9606 5.1251 5.1251
5.5643 5.5643 6.2309 6.2309 6.5506 6.5506 6.6021 6.6021
6.8929 6.8929 6.9703 6.9703 7.0783 7.0783 7.3338 7.3338
8.0595 8.0595 8.2599 8.2599 8.4011 8.4011 9.0969 9.0969
10.7784 10.7784 11.5274 11.5274 11.5690 11.5690 13.1852 13.1852
k = 0.5000 0.0559 0.5334 ( 3228 PWs) bands (ev):
-4.7885 -4.7885 -2.6975 -2.6975 -2.4819 -2.4819 -1.7899 -1.7899
1.2465 1.2465 1.3083 1.3083 1.9807 1.9807 2.3745 2.3745
3.3560 3.3560 4.5062 4.5062 4.9284 4.9284 5.1053 5.1053
5.6876 5.6876 6.1607 6.1607 6.5258 6.5258 6.5659 6.5659
6.9334 6.9334 6.9757 6.9757 7.0727 7.0727 7.3874 7.3874
8.0509 8.0509 8.2574 8.2574 8.4340 8.4340 9.1119 9.1119
10.7986 10.7986 11.5080 11.5080 11.5679 11.5679 13.2094 13.2094
k = 0.5000 0.0652 0.5202 ( 3230 PWs) bands (ev):
-4.8007 -4.8007 -2.7288 -2.7288 -2.4457 -2.4457 -1.7478 -1.7478
1.2125 1.2125 1.2746 1.2746 2.0492 2.0492 2.4190 2.4190
3.2611 3.2611 4.4716 4.4716 4.8893 4.8893 5.0825 5.0825
5.8061 5.8061 6.0933 6.0933 6.4959 6.4959 6.5329 6.5329
6.9385 6.9385 7.0157 7.0157 7.0680 7.0680 7.4392 7.4392
8.0435 8.0435 8.2541 8.2541 8.4701 8.4701 9.1280 9.1280
10.8226 10.8226 11.4861 11.4861 11.5683 11.5683 13.2374 13.2374
k = 0.5000 0.0745 0.5070 ( 3234 PWs) bands (ev):
-4.8141 -4.8141 -2.7612 -2.7612 -2.4047 -2.4047 -1.7033 -1.7033
1.1809 1.1809 1.2392 1.2392 2.1206 2.1206 2.4636 2.4636
3.1624 3.1624 4.4443 4.4443 4.8426 4.8426 5.0573 5.0573
5.9145 5.9145 6.0296 6.0296 6.4596 6.4596 6.5090 6.5090
6.9321 6.9321 7.0530 7.0530 7.0777 7.0777 7.4889 7.4889
8.0375 8.0375 8.2503 8.2503 8.5086 8.5086 9.1444 9.1444
10.8500 10.8500 11.4622 11.4622 11.5708 11.5708 13.2689 13.2689
k = 0.5000 0.0838 0.4938 ( 3234 PWs) bands (ev):
-4.8285 -4.8285 -2.7940 -2.7940 -2.3591 -2.3591 -1.6572 -1.6572
1.1522 1.1522 1.2025 1.2025 2.1946 2.1946 2.5041 2.5041
3.0655 3.0655 4.4229 4.4229 4.7879 4.7879 5.0309 5.0309
5.9698 5.9698 6.0049 6.0049 6.4183 6.4183 6.4999 6.4999
6.9237 6.9237 7.0545 7.0545 7.1264 7.1264 7.5360 7.5360
8.0331 8.0331 8.2466 8.2466 8.5490 8.5490 9.1604 9.1604
10.8805 10.8805 11.4369 11.4369 11.5765 11.5765 13.3036 13.3036
k = 0.5000 0.0931 0.4807 ( 3232 PWs) bands (ev):
-4.8437 -4.8437 -2.8267 -2.8267 -2.3092 -2.3092 -1.6102 -1.6102
1.1267 1.1267 1.1650 1.1650 2.2708 2.2708 2.5322 2.5322
2.9803 2.9803 4.4059 4.4059 4.7251 4.7251 5.0038 5.0038
5.9148 5.9148 6.0651 6.0651 6.3736 6.3736 6.5135 6.5135
6.9144 6.9144 7.0546 7.0546 7.1800 7.1800 7.5806 7.5806
8.0303 8.0303 8.2432 8.2432 8.5907 8.5907 9.1756 9.1756
10.9130 10.9130 11.4106 11.4106 11.5864 11.5864 13.3411 13.3411
k = 0.5000 0.1024 0.4675 ( 3238 PWs) bands (ev):
-4.8595 -4.8595 -2.8591 -2.8591 -2.2553 -2.2553 -1.5627 -1.5627
1.1045 1.1045 1.1269 1.1269 2.3491 2.3491 2.5323 2.5323
2.9233 2.9233 4.3926 4.3926 4.6546 4.6546 4.9767 4.9767
5.8641 5.8641 6.0876 6.0876 6.3265 6.3265 6.5542 6.5542
6.9042 6.9042 7.0597 7.0597 7.2341 7.2341 7.6226 7.6226
8.0288 8.0288 8.2402 8.2402 8.6334 8.6334 9.1893 9.1893
10.9466 10.9466 11.3839 11.3839 11.6016 11.6016 13.3811 13.3811
k = 0.5000 0.1117 0.4543 ( 3230 PWs) bands (ev):
-4.8756 -4.8756 -2.8908 -2.8908 -2.1975 -2.1975 -1.5153 -1.5153
1.0858 1.0858 1.0883 1.0883 2.4292 2.4292 2.4898 2.4898
2.9101 2.9101 4.3820 4.3820 4.5772 4.5772 4.9500 4.9500
5.8174 5.8174 6.0768 6.0768 6.2771 6.2771 6.6131 6.6131
6.8934 6.8934 7.0740 7.0740 7.2885 7.2885 7.6621 7.6621
8.0288 8.0288 8.2379 8.2379 8.6765 8.6765 9.2012 9.2012
10.9798 10.9798 11.3573 11.3573 11.6234 11.6234 13.4231 13.4231
k = 0.5000 0.1211 0.4412 ( 3228 PWs) bands (ev):
-4.8920 -4.8920 -2.9216 -2.9216 -2.1363 -2.1363 -1.4684 -1.4684
1.0492 1.0492 1.0709 1.0709 2.4111 2.4111 2.5110 2.5110
2.9352 2.9352 4.3736 4.3736 4.4940 4.4940 4.9239 4.9239
5.7742 5.7742 6.0439 6.0439 6.2256 6.2256 6.6736 6.6736
6.8821 6.8821 7.1027 7.1027 7.3430 7.3430 7.6992 7.6992
8.0300 8.0300 8.2363 8.2363 8.7197 8.7197 9.2110 9.2110
11.0115 11.0115 11.3313 11.3313 11.6528 11.6528 13.4668 13.4668
k = 0.5000 0.1304 0.4280 ( 3228 PWs) bands (ev):
-4.9084 -4.9084 -2.9513 -2.9513 -2.0719 -2.0719 -1.4224 -1.4224
1.0097 1.0097 1.0597 1.0597 2.3133 2.3133 2.5943 2.5943
2.9821 2.9821 4.3671 4.3671 4.4064 4.4064 4.8984 4.8984
5.7337 5.7337 5.9974 5.9974 6.1722 6.1722 6.7224 6.7224
6.8706 6.8706 7.1507 7.1507 7.3974 7.3974 7.7339 7.7339
8.0325 8.0325 8.2353 8.2353 8.7626 8.7626 9.2186 9.2186
11.0403 11.0403 11.3064 11.3064 11.6903 11.6903 13.5116 13.5116
k = 0.5000 0.1397 0.4148 ( 3236 PWs) bands (ev):
-4.9246 -4.9246 -2.9798 -2.9798 -2.0046 -2.0046 -1.3777 -1.3777
0.9695 0.9695 1.0524 1.0524 2.2075 2.2075 2.6789 2.6789
3.0403 3.0403 4.3153 4.3153 4.3625 4.3625 4.8736 4.8736
5.6952 5.6952 5.9419 5.9419 6.1170 6.1170 6.7542 6.7542
6.8589 6.8589 7.2181 7.2181 7.4517 7.4517 7.7664 7.7664
8.0359 8.0359 8.2351 8.2351 8.8047 8.8047 9.2238 9.2238
11.0657 11.0657 11.2831 11.2831 11.7362 11.7362 13.5570 13.5570
k = 0.5000 0.1490 0.4017 ( 3238 PWs) bands (ev):
-4.9404 -4.9404 -3.0070 -3.0070 -1.9346 -1.9346 -1.3345 -1.3345
0.9284 0.9284 1.0489 1.0489 2.0996 2.0996 2.7646 2.7646
3.1046 3.1046 4.2224 4.2224 4.3590 4.3590 4.8495 4.8495
5.6580 5.6580 5.8804 5.8804 6.0607 6.0607 6.7711 6.7711
6.8474 6.8474 7.3003 7.3003 7.5057 7.5057 7.7965 7.7965
8.0405 8.0405 8.2355 8.2355 8.8456 8.8456 9.2267 9.2267
11.0873 11.0873 11.2616 11.2616 11.7898 11.7898 13.6024 13.6025
k = 0.5000 0.1583 0.3885 ( 3240 PWs) bands (ev):
-4.9559 -4.9559 -3.0328 -3.0328 -1.8624 -1.8624 -1.2932 -1.2932
0.8861 0.8861 1.0493 1.0493 1.9927 1.9927 2.8510 2.8510
3.1725 3.1725 4.1287 4.1287 4.3570 4.3570 4.8261 4.8261
5.6211 5.6211 5.8143 5.8143 6.0038 6.0038 6.7777 6.7777
6.8361 6.8361 7.3909 7.3909 7.5593 7.5593 7.8244 7.8244
8.0460 8.0460 8.2366 8.2366 8.8849 8.8849 9.2274 9.2274
11.1054 11.1054 11.2426 11.2426 11.8503 11.8503 13.6472 13.6472
k = 0.5000 0.1676 0.3753 ( 3240 PWs) bands (ev):
-4.9707 -4.9707 -3.0570 -3.0570 -1.7881 -1.7881 -1.2541 -1.2541
0.8422 0.8422 1.0533 1.0533 1.8890 1.8890 2.9380 2.9380
3.2424 3.2424 4.0354 4.0354 4.3563 4.3563 4.8033 4.8033
5.5836 5.5836 5.7448 5.7448 5.9476 5.9476 6.7779 6.7779
6.8252 6.8252 7.4848 7.4848 7.6123 7.6123 7.8499 7.8499
8.0523 8.0523 8.2380 8.2380 8.9221 8.9221 9.2259 9.2259
11.1206 11.1206 11.2261 11.2261 11.9163 11.9163 13.6905 13.6905
k = 0.5000 0.1769 0.3622 ( 3236 PWs) bands (ev):
-4.9848 -4.9848 -3.0796 -3.0796 -1.7124 -1.7124 -1.2174 -1.2174
0.7961 0.7961 1.0610 1.0610 1.7901 1.7901 3.0249 3.0249
3.3135 3.3135 3.9437 3.9437 4.3570 4.3570 4.7811 4.7811
5.5443 5.5443 5.6726 5.6726 5.8932 5.8932 6.7746 6.7746
6.8148 6.8148 7.5786 7.5786 7.6645 7.6645 7.8730 7.8730
8.0593 8.0593 8.2398 8.2398 8.9570 8.9570 9.2225 9.2225
11.1333 11.1333 11.2125 11.2125 11.9861 11.9861 13.7312 13.7312
k = 0.5000 0.1862 0.3490 ( 3236 PWs) bands (ev):
-4.9982 -4.9982 -3.1006 -3.1006 -1.6355 -1.6355 -1.1833 -1.1833
0.7476 0.7476 1.0718 1.0718 1.6972 1.6972 3.1110 3.1110
3.3847 3.3847 3.8551 3.8551 4.3593 4.3593 4.7592 4.7592
5.5022 5.5022 5.5983 5.5983 5.8421 5.8421 6.7693 6.7693
6.8049 6.8049 7.6696 7.6696 7.7159 7.7159 7.8938 7.8938
8.0670 8.0670 8.2417 8.2417 8.9890 8.9890 9.2174 9.2174
11.1442 11.1442 11.2019 11.2019 12.0585 12.0585 13.7686 13.7789
k = 0.5000 0.1956 0.3358 ( 3226 PWs) bands (ev):
-5.0106 -5.0106 -3.1199 -3.1199 -1.5579 -1.5579 -1.1520 -1.1520
0.6962 0.6962 1.0855 1.0855 1.6117 1.6117 3.1952 3.1952
3.4554 3.4554 3.7713 3.7713 4.3634 4.3634 4.7375 4.7375
5.4565 5.4565 5.5227 5.5227 5.7958 5.7958 6.7631 6.7631
6.7957 6.7957 7.7537 7.7537 7.7687 7.7687 7.9123 7.9123
8.0751 8.0751 8.2436 8.2436 9.0178 9.0178 9.2108 9.2108
11.1537 11.1537 11.1942 11.1942 12.1317 12.1317 13.8077 13.8078
k = 0.5000 0.2049 0.3226 ( 3228 PWs) bands (ev):
-5.0221 -5.0221 -3.1375 -3.1375 -1.4804 -1.4804 -1.1235 -1.1235
0.6418 0.6418 1.1017 1.1017 1.5344 1.5344 3.2747 3.2747
3.5247 3.5247 3.6955 3.6955 4.3695 4.3695 4.7158 4.7158
5.4072 5.4072 5.4461 5.4461 5.7552 5.7552 6.7565 6.7565
6.7871 6.7871 7.8100 7.8100 7.8422 7.8422 7.9286 7.9286
8.0835 8.0835 8.2453 8.2453 9.0433 9.0433 9.2029 9.2029
11.1622 11.1622 11.1895 11.1895 12.2046 12.2046 13.8319 13.8349
k = 0.5000 0.2142 0.3095 ( 3228 PWs) bands (ev):
-5.0325 -5.0325 -3.1533 -3.1533 -1.4037 -1.4037 -1.0981 -1.0981
0.5847 0.5847 1.1196 1.1196 1.4660 1.4660 3.3430 3.3430
3.5916 3.5916 3.6347 3.6347 4.3782 4.3782 4.6937 4.6937
5.3549 5.3549 5.3694 5.3694 5.7206 5.7206 6.7501 6.7501
6.7792 6.7792 7.8557 7.8557 7.9164 7.9164 7.9442 7.9442
8.0919 8.0919 8.2466 8.2466 9.0652 9.0652 9.1943 9.1943
11.1698 11.1698 11.1874 11.1874 12.2756 12.2756 13.8417 13.8417
k = 0.5000 0.2235 0.2963 ( 3232 PWs) bands (ev):
-5.0419 -5.0419 -3.1673 -3.1673 -1.3287 -1.3287 -1.0756 -1.0756
0.5257 0.5257 1.1385 1.1385 1.4068 1.4068 3.3825 3.3825
3.6067 3.6067 3.6551 3.6551 4.3899 4.3899 4.6709 4.6709
5.2928 5.2928 5.3014 5.3014 5.6920 5.6920 6.7441 6.7441
6.7722 6.7722 7.8975 7.8975 7.9532 7.9532 7.9895 7.9895
8.1001 8.1001 8.2472 8.2472 9.0834 9.0834 9.1853 9.1853
11.1767 11.1767 11.1878 11.1878 12.3436 12.3436 13.8500 13.8500
k = 0.5000 0.2328 0.2831 ( 3234 PWs) bands (ev):
-5.0501 -5.0501 -3.1795 -3.1795 -1.2568 -1.2568 -1.0562 -1.0562
0.4662 0.4662 1.1577 1.1577 1.3569 1.3569 3.3752 3.3752
3.6295 3.6295 3.7139 3.7139 4.4050 4.4050 4.6470 4.6470
5.2177 5.2177 5.2482 5.2482 5.6687 5.6687 6.7387 6.7387
6.7659 6.7659 7.9336 7.9336 7.9671 7.9671 8.0506 8.0506
8.1082 8.1082 8.2470 8.2470 9.0979 9.0979 9.1764 9.1764
11.1826 11.1826 11.1901 11.1901 12.4071 12.4071 13.8518 13.8518
k = 0.5000 0.2421 0.2700 ( 3234 PWs) bands (ev):
-5.0571 -5.0571 -3.1898 -3.1898 -1.1894 -1.1894 -1.0399 -1.0399
0.4079 0.4079 1.1763 1.1763 1.3159 1.3159 3.3401 3.3401
3.6839 3.6839 3.7665 3.7665 4.4240 4.4240 4.6218 4.6218
5.1451 5.1451 5.1982 5.1982 5.6501 5.6501 6.7339 6.7339
6.7606 6.7606 7.9579 7.9579 7.9862 7.9862 8.1036 8.1036
8.1166 8.1166 8.2457 8.2457 9.1089 9.1089 9.1684 9.1684
11.1876 11.1876 11.1937 11.1937 12.4647 12.4647 13.8497 13.8497
k = 0.5000 0.2514 0.2568 ( 3232 PWs) bands (ev):
-5.0629 -5.0629 -3.1983 -3.1983 -1.1287 -1.1287 -1.0265 -1.0265
0.3536 0.3536 1.1932 1.1932 1.2833 1.2833 3.3003 3.3003
3.7458 3.7458 3.8115 3.8115 4.4467 4.4467 4.5957 4.5957
5.0764 5.0764 5.1537 5.1537 5.6357 5.6357 6.7300 6.7300
6.7562 6.7562 7.9694 7.9694 8.0116 8.0116 8.1229 8.1229
8.1498 8.1498 8.2434 8.2434 9.1162 9.1162 9.1619 9.1619
11.1920 11.1920 11.1978 11.1978 12.5151 12.5151 13.8459 13.8459
k = 0.5000 0.2607 0.2436 ( 3232 PWs) bands (ev):
-5.0674 -5.0674 -3.2049 -3.2049 -1.0770 -1.0770 -1.0162 -1.0162
0.3062 0.3062 1.2076 1.2076 1.2587 1.2587 3.2651 3.2651
3.8039 3.8039 3.8476 3.8476 4.4719 4.4719 4.5698 4.5698
5.0142 5.0142 5.1169 5.1169 5.6248 5.6248 6.7269 6.7269
6.7527 6.7527 7.9758 7.9758 8.0347 8.0347 8.1304 8.1304
8.1853 8.1853 8.2402 8.2402 9.1200 9.1200 9.1574 9.1574
11.1958 11.1958 11.2015 11.2015 12.5565 12.5565 13.8418 13.8418
k = 0.5000 0.2701 0.2305 ( 3232 PWs) bands (ev):
-5.0706 -5.0706 -3.2096 -3.2096 -1.0370 -1.0370 -1.0088 -1.0088
0.2689 0.2689 1.2185 1.2185 1.2416 1.2416 3.2383 3.2383
3.8518 3.8518 3.8740 3.8740 4.4968 4.4968 4.5467 4.5467
4.9623 4.9623 5.0895 5.0895 5.6173 5.6173 6.7246 6.7246
6.7503 6.7503 7.9797 7.9797 8.0520 8.0520 8.1372 8.1372
8.2112 8.2112 8.2365 8.2365 9.1213 9.1213 9.1551 9.1551
11.1988 11.1988 11.2045 11.2045 12.5875 12.5875 13.8384 13.8384
k = 0.5000 0.2794 0.2173 ( 3218 PWs) bands (ev):
-5.0726 -5.0726 -3.2125 -3.2125 -1.0117 -1.0117 -1.0044 -1.0044
0.2450 0.2450 1.2251 1.2251 1.2318 1.2318 3.2216 3.2216
3.8834 3.8834 3.8903 3.8903 4.5160 4.5160 4.5305 4.5305
4.9265 4.9265 5.0727 5.0727 5.6129 5.6129 6.7233 6.7233
6.7488 6.7488 7.9821 7.9821 8.0625 8.0625 8.1425 8.1425
8.2268 8.2268 8.2335 8.2335 9.1213 9.1213 9.1542 9.1542
11.2007 11.2007 11.2064 11.2064 12.6067 12.6067 13.8362 13.8362
k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev):
-5.0732 -5.0732 -3.2134 -3.2134 -1.0032 -1.0032 -1.0026 -1.0026
0.2368 0.2368 1.2262 1.2262 1.2297 1.2297 3.2160 3.2160
3.8934 3.8934 3.8969 3.8969 4.5214 4.5214 4.5266 4.5266
4.9134 4.9134 5.0671 5.0671 5.6114 5.6114 6.7229 6.7229
6.7483 6.7483 7.9828 7.9828 8.0659 8.0659 8.1445 8.1445
8.2313 8.2313 8.2331 8.2331 9.1212 9.1212 9.1541 9.1541
11.2013 11.2013 11.2070 11.2070 12.6132 12.6132 13.8354 13.8354
k = 0.5000 0.2887 0.2041 ( 3214 PWs) bands (ev):
-5.0732 -5.0732 -3.2134 -3.2134 -1.0032 -1.0032 -1.0026 -1.0026
0.2368 0.2368 1.2262 1.2262 1.2297 1.2297 3.2160 3.2160
3.8934 3.8934 3.8969 3.8969 4.5214 4.5214 4.5266 4.5266
4.9134 4.9134 5.0671 5.0671 5.6114 5.6114 6.7229 6.7229
6.7483 6.7483 7.9828 7.9828 8.0659 8.0659 8.1445 8.1445
8.2313 8.2313 8.2331 8.2331 9.1212 9.1212 9.1541 9.1541
11.2013 11.2013 11.2070 11.2070 12.6132 12.6132 13.8354 13.8354
k = 0.4954 0.2860 0.2192 ( 3216 PWs) bands (ev):
-5.0726 -5.0726 -3.2125 -3.2125 -1.0116 -1.0116 -1.0044 -1.0044
0.2449 0.2449 1.2251 1.2251 1.2317 1.2317 3.2216 3.2216
3.8835 3.8835 3.8904 3.8904 4.5160 4.5160 4.5306 4.5306
4.9263 4.9263 5.0727 5.0727 5.6129 5.6129 6.7233 6.7233
6.7488 6.7488 7.9821 7.9821 8.0625 8.0625 8.1425 8.1425
8.2269 8.2269 8.2335 8.2335 9.1213 9.1213 9.1542 9.1542
11.2007 11.2007 11.2064 11.2064 12.6068 12.6068 13.8362 13.8362
k = 0.4907 0.2833 0.2344 ( 3234 PWs) bands (ev):
-5.0707 -5.0707 -3.2097 -3.2097 -1.0367 -1.0367 -1.0087 -1.0087
0.2686 0.2686 1.2188 1.2188 1.2413 1.2413 3.2380 3.2380
3.8516 3.8516 3.8749 3.8749 4.4957 4.4957 4.5480 4.5480
4.9615 4.9615 5.0894 5.0894 5.6172 5.6172 6.7246 6.7246
6.7502 6.7502 7.9798 7.9798 8.0521 8.0521 8.1373 8.1373
8.2115 8.2115 8.2364 8.2364 9.1213 9.1213 9.1551 9.1551
11.1988 11.1988 11.2045 11.2045 12.5878 12.5878 13.8383 13.8383
k = 0.4861 0.2807 0.2495 ( 3231 PWs) bands (ev):
-5.0675 -5.0675 -3.2050 -3.2050 -1.0764 -1.0764 -1.0158 -1.0158
0.3054 0.3054 1.2086 1.2086 1.2576 1.2576 3.2646 3.2646
3.8022 3.8022 3.8514 3.8514 4.4664 4.4664 4.5757 4.5757
5.0111 5.0111 5.1175 5.1175 5.6247 5.6247 6.7268 6.7268
6.7527 6.7527 7.9759 7.9759 8.0350 8.0350 8.1305 8.1305
8.1861 8.1861 8.2399 8.2399 9.1203 9.1203 9.1572 9.1572
11.1959 11.1959 11.2016 11.2016 12.5571 12.5571 13.8417 13.8417
k = 0.4815 0.2780 0.2646 ( 3229 PWs) bands (ev):
-5.0630 -5.0630 -3.1985 -3.1985 -1.1280 -1.1280 -1.0255 -1.0255
0.3520 0.3520 1.1963 1.1963 1.2803 1.2803 3.2994 3.2994
3.7405 3.7405 3.8216 3.8216 4.4317 4.4317 4.6117 4.6117
5.0656 5.0656 5.1585 5.1585 5.6354 5.6354 6.7299 6.7299
6.7561 6.7561 7.9698 7.9698 8.0118 8.0118 8.1233 8.1233
8.1514 8.1514 8.2427 8.2427 9.1170 9.1170 9.1610 9.1610
11.1921 11.1921 11.1979 11.1979 12.5161 12.5161 13.8453 13.8453
k = 0.4769 0.2753 0.2797 ( 3234 PWs) bands (ev):
-5.0573 -5.0573 -3.1901 -3.1901 -1.1890 -1.1890 -1.0376 -1.0376
0.4045 0.4045 1.1838 1.1838 1.3092 1.3092 3.3386 3.3386
3.6733 3.6733 3.7870 3.7870 4.3939 4.3939 4.6540 4.6540
5.1169 5.1169 5.2142 5.2142 5.6498 5.6498 6.7338 6.7338
6.7605 6.7605 7.9592 7.9592 7.9853 7.9853 8.1070 8.1070
8.1168 8.1168 8.2442 8.2442 9.1111 9.1111 9.1663 9.1663
11.1876 11.1876 11.1939 11.1939 12.4662 12.4662 13.8471 13.8471
k = 0.4722 0.2726 0.2948 ( 3234 PWs) bands (ev):
-5.0503 -5.0503 -3.1799 -3.1799 -1.2570 -1.2570 -1.0520 -1.0520
0.4588 0.4588 1.1740 1.1740 1.3440 1.3440 3.3720 3.3720
3.6129 3.6129 3.7492 3.7492 4.3543 4.3543 4.7013 4.7013
5.1629 5.1629 5.2816 5.2816 5.6685 5.6685 6.7385 6.7385
6.7657 6.7657 7.9359 7.9359 7.9646 7.9646 8.0561 8.0561
8.1087 8.1087 8.2444 8.2444 9.1026 9.1026 9.1723 9.1723
11.1823 11.1823 11.1905 11.1905 12.4091 12.4091 13.8412 13.8412
k = 0.4676 0.2700 0.3100 ( 3234 PWs) bands (ev):
-5.0422 -5.0422 -3.1678 -3.1678 -1.3301 -1.3301 -1.0682 -1.0682
0.5101 0.5101 1.1703 1.1703 1.3845 1.3845 3.3720 3.3720
3.5881 3.5881 3.7094 3.7094 4.3138 4.3138 4.7521 4.7521
5.2057 5.2057 5.3542 5.3542 5.6924 5.6924 6.7439 6.7439
6.7719 6.7719 7.8992 7.8992 7.9504 7.9504 7.9978 7.9978
8.1009 8.1009 8.2431 8.2431 9.0916 9.0916 9.1783 9.1783
11.1761 11.1761 11.1885 11.1885 12.3461 12.3461 13.8210 13.8210
k = 0.4630 0.2673 0.3251 ( 3238 PWs) bands (ev):
-5.0330 -5.0330 -3.1540 -3.1540 -1.4068 -1.4068 -1.0862 -1.0862
0.5536 0.5536 1.1772 1.1772 1.4303 1.4303 3.3197 3.3197
3.6182 3.6182 3.6684 3.6684 4.2733 4.2733 4.8058 4.8058
5.2470 5.2470 5.4267 5.4267 5.7228 5.7228 6.7499 6.7499
6.7788 6.7788 7.8562 7.8562 7.9248 7.9248 7.9443 7.9443
8.0930 8.0930 8.2406 8.2406 9.0781 9.0781 9.1835 9.1835
11.1689 11.1689 11.1883 11.1883 12.2787 12.2787 13.7885 13.7885
k = 0.4583 0.2646 0.3402 ( 3244 PWs) bands (ev):
-5.0227 -5.0227 -3.1384 -3.1384 -1.4859 -1.4859 -1.1056 -1.1056
0.5847 0.5847 1.1986 1.1986 1.4813 1.4813 3.2391 3.2391
3.6267 3.6267 3.6792 3.6792 4.2335 4.2335 4.8614 4.8614
5.2874 5.2874 5.4949 5.4949 5.7612 5.7612 6.7564 6.7564
6.7865 6.7865 7.8090 7.8090 7.8571 7.8571 7.9254 7.9254
8.0849 8.0849 8.2371 8.2371 9.0621 9.0621 9.1876 9.1876
11.1610 11.1610 11.1901 11.1901 12.2082 12.2082 13.7485 13.7485
k = 0.4537 0.2619 0.3553 ( 3233 PWs) bands (ev):
-5.0113 -5.0113 -3.1210 -3.1210 -1.5664 -1.5664 -1.1261 -1.1261
0.6009 0.6009 1.2370 1.2370 1.5370 1.5370 3.1482 3.1482
3.5849 3.5849 3.7525 3.7525 4.1957 4.1957 4.9186 4.9186
5.3268 5.3268 5.5561 5.5561 5.8089 5.8089 6.7632 6.7632
6.7949 6.7949 7.7583 7.7583 7.7803 7.7803 7.9085 7.9085
8.0767 8.0767 8.2332 8.2332 9.0438 9.0438 9.1901 9.1901
11.1526 11.1526 11.1940 11.1940 12.1362 12.1362 13.7039 13.7040
k = 0.4491 0.2593 0.3704 ( 3231 PWs) bands (ev):
-4.9990 -4.9990 -3.1019 -3.1019 -1.6475 -1.6475 -1.1475 -1.1475
0.6024 0.6024 1.2916 1.2916 1.5973 1.5973 3.0529 3.0529
3.5434 3.5434 3.8299 3.8299 4.1619 4.1619 4.9769 4.9769
5.3652 5.3652 5.6094 5.6094 5.8654 5.8654 6.7702 6.7702
6.8037 6.8037 7.6966 7.6966 7.7065 7.7065 7.8897 7.8897
8.0686 8.0686 8.2289 8.2289 9.0230 9.0230 9.1908 9.1908
11.1438 11.1438 11.1996 11.1996 12.0640 12.0640 13.6562 13.6562
k = 0.4444 0.2566 0.3856 ( 3227 PWs) bands (ev):
-4.9858 -4.9858 -3.0812 -3.0812 -1.7286 -1.7286 -1.1696 -1.1696
0.5918 0.5918 1.3599 1.3599 1.6617 1.6617 2.9557 2.9557
3.5023 3.5023 3.9034 3.9034 4.1379 4.1379 5.0359 5.0359
5.4024 5.4024 5.6561 5.6561 5.9285 5.9285 6.7770 6.7770
6.8128 6.8128 7.6113 7.6113 7.6497 7.6497 7.8690 7.8690
8.0607 8.0607 8.2248 8.2248 9.0000 9.0000 9.1896 9.1896
11.1346 11.1346 11.2062 11.2062 11.9935 11.9935 13.6064 13.6064
k = 0.4398 0.2539 0.4007 ( 3229 PWs) bands (ev):
-4.9719 -4.9719 -3.0589 -3.0589 -1.8091 -1.8091 -1.1921 -1.1921
0.5724 0.5724 1.4384 1.4384 1.7302 1.7302 2.8579 2.8579
3.4619 3.4619 3.9554 3.9554 4.1399 4.1399 5.0952 5.0952
5.4385 5.4385 5.6982 5.6982 5.9952 5.9952 6.7834 6.7834
6.8216 6.8216 7.5224 7.5224 7.5915 7.5915 7.8461 7.8461
8.0533 8.0533 8.2210 8.2210 8.9747 8.9747 9.1863 9.1863
11.1250 11.1250 11.2126 11.2126 11.9269 11.9269 13.5552 13.5552
k = 0.4352 0.2513 0.4158 ( 3227 PWs) bands (ev):
-4.9573 -4.9573 -3.0351 -3.0351 -1.8886 -1.8886 -1.2147 -1.2147
0.5471 0.5471 1.5239 1.5239 1.8024 1.8024 2.7604 2.7604
3.4224 3.4224 3.9660 3.9660 4.1869 4.1869 5.1546 5.1546
5.4733 5.4733 5.7377 5.7377 6.0626 6.0626 6.7889 6.7889
6.8292 6.8292 7.4319 7.4319 7.5316 7.5316 7.8211 7.8211
8.0469 8.0469 8.2176 8.2176 8.9474 8.9474 9.1808 9.1808
11.1151 11.1151 11.2170 11.2170 11.8668 11.8668 13.5035 13.5035
k = 0.4306 0.2486 0.4309 ( 3228 PWs) bands (ev):
-4.9421 -4.9421 -3.0100 -3.0100 -1.9665 -1.9665 -1.2374 -1.2374
0.5180 0.5180 1.6138 1.6138 1.8780 1.8780 2.6639 2.6639
3.3839 3.3839 3.9493 3.9493 4.2638 4.2638 5.2140 5.2140
5.5069 5.5069 5.7758 5.7758 6.1285 6.1285 6.7931 6.7931
6.8343 6.8343 7.3424 7.3424 7.4705 7.4705 7.7941 7.7941
8.0417 8.0417 8.2148 8.2148 8.9182 8.9182 9.1732 9.1732
11.1047 11.1047 11.2167 11.2167 11.8166 11.8166 13.4518 13.4518
k = 0.4259 0.2459 0.4460 ( 3228 PWs) bands (ev):
-4.9266 -4.9266 -2.9835 -2.9835 -2.0424 -2.0424 -1.2599 -1.2599
0.4867 0.4867 1.7059 1.7059 1.9569 1.9569 2.5693 2.5693
3.3465 3.3465 3.9238 3.9238 4.3515 4.3515 5.2729 5.2729
5.5396 5.5396 5.8133 5.8133 6.1913 6.1913 6.7946 6.7946
6.8341 6.8341 7.2577 7.2577 7.4087 7.4087 7.7650 7.7650
8.0383 8.0383 8.2126 8.2126 8.8873 8.8873 9.1633 9.1633
11.0937 11.0937 11.2088 11.2088 11.7797 11.7797 13.4008 13.4008
k = 0.4213 0.2432 0.4612 ( 3224 PWs) bands (ev):
-4.9108 -4.9108 -2.9560 -2.9560 -2.1157 -2.1157 -1.2820 -1.2820
0.4544 0.4544 1.7976 1.7976 2.0388 2.0388 2.4780 2.4780
3.3103 3.3103 3.8968 3.8968 4.4421 4.4421 5.3313 5.3313
5.5713 5.5713 5.8507 5.8507 6.2494 6.2494 6.7894 6.7894
6.8266 6.8266 7.1845 7.1845 7.3472 7.3472 7.7338 7.7338
8.0370 8.0370 8.2108 8.2108 8.8552 8.8552 9.1512 9.1512
11.0821 11.0821 11.1912 11.1912 11.7589 11.7589 13.3509 13.3509
k = 0.4167 0.2406 0.4763 ( 3220 PWs) bands (ev):
-4.8949 -4.8949 -2.9277 -2.9277 -2.1860 -2.1860 -1.3037 -1.3037
0.4218 0.4218 1.8852 1.8852 2.1235 2.1235 2.3928 2.3928
3.2754 3.2754 3.8708 3.8708 4.5322 4.5322 5.3890 5.3890
5.6021 5.6021 5.8881 5.8881 6.3017 6.3017 6.7630 6.7630
6.8175 6.8175 7.1314 7.1314 7.2868 7.2868 7.7006 7.7006
8.0382 8.0382 8.2094 8.2094 8.8221 8.8221 9.1368 9.1368
11.0696 11.0696 11.1634 11.1634 11.7553 11.7553 13.3027 13.3027
k = 0.4120 0.2379 0.4914 ( 3230 PWs) bands (ev):
-4.8792 -4.8792 -2.8991 -2.8991 -2.2523 -2.2523 -1.3247 -1.3247
0.3896 0.3896 1.9608 1.9608 2.2107 2.2107 2.3207 2.3207
3.2419 3.2419 3.8472 3.8472 4.6198 4.6198 5.4457 5.4457
5.6320 5.6320 5.9258 5.9258 6.3469 6.3469 6.7049 6.7049
6.8132 6.8132 7.1032 7.1032 7.2291 7.2291 7.6652 7.6652
8.0420 8.0420 8.2081 8.2081 8.7884 8.7884 9.1201 9.1201
11.0559 11.0559 11.1272 11.1272 11.7676 11.7676 13.2567 13.2567
k = 0.4074 0.2352 0.5065 ( 3232 PWs) bands (ev):
-4.8638 -4.8638 -2.8708 -2.8708 -2.3138 -2.3138 -1.3450 -1.3450
0.3580 0.3580 2.0035 2.0035 2.2818 2.2818 2.3001 2.3001
3.2100 3.2100 3.8272 3.8272 4.7032 4.7032 5.5013 5.5013
5.6608 5.6608 5.9635 5.9635 6.3840 6.3840 6.6227 6.6227
6.8106 6.8106 7.0952 7.0952 7.1764 7.1764 7.6278 7.6278
8.0485 8.0485 8.2066 8.2066 8.7546 8.7546 9.1011 9.1011
11.0408 11.0408 11.0857 11.0857 11.7934 11.7934 13.2131 13.2131
k = 0.4028 0.2325 0.5217 ( 3230 PWs) bands (ev):
-4.8490 -4.8490 -2.8438 -2.8438 -2.3693 -2.3693 -1.3645 -1.3645
0.3276 0.3276 1.9880 1.9880 2.3005 2.3005 2.3915 2.3915
3.1798 3.1798 3.8117 3.8117 4.7807 4.7807 5.5558 5.5558
5.6881 5.6881 6.0011 6.0011 6.4119 6.4119 6.5257 6.5257
6.8084 6.8084 7.0950 7.0950 7.1354 7.1354 7.5882 7.5882
8.0578 8.0578 8.2045 8.2045 8.7214 8.7214 9.0797 9.0797
11.0224 11.0224 11.0436 11.0436 11.8298 11.8298 13.1725 13.1725
k = 0.3981 0.2299 0.5368 ( 3227 PWs) bands (ev):
-4.8351 -4.8351 -2.8198 -2.8198 -2.4166 -2.4166 -1.3830 -1.3830
0.2984 0.2984 1.9300 1.9300 2.3600 2.3600 2.4842 2.4842
3.1517 3.1517 3.8019 3.8019 4.8512 4.8512 5.6089 5.6089
5.7131 5.7131 6.0379 6.0379 6.4188 6.4188 6.4320 6.4320
6.8065 6.8065 7.0746 7.0746 7.1307 7.1307 7.5466 7.5466
8.0695 8.0695 8.2014 8.2014 8.6895 8.6895 9.0560 9.0560
10.9913 10.9913 11.0132 11.0132 11.8746 11.8746 13.1350 13.1350
k = 0.3935 0.2272 0.5519 ( 3225 PWs) bands (ev):
-4.8223 -4.8223 -2.8012 -2.8012 -2.4530 -2.4530 -1.4005 -1.4005
0.2707 0.2707 1.8563 1.8563 2.4323 2.4323 2.5778 2.5778
3.1260 3.1260 3.7989 3.7989 4.9134 4.9134 5.6605 5.6605
5.7343 5.7343 6.0726 6.0726 6.3095 6.3095 6.4415 6.4415
6.8051 6.8051 7.0460 7.0460 7.1487 7.1487 7.5029 7.5029
8.0831 8.0831 8.1966 8.1966 8.6596 8.6596 9.0301 9.0301
10.9512 10.9512 10.9924 10.9924 11.9260 11.9260 13.1009 13.1009
k = 0.3889 0.2245 0.5670 ( 3219 PWs) bands (ev):
-4.8110 -4.8110 -2.7910 -2.7910 -2.4752 -2.4752 -1.4169 -1.4169
0.2446 0.2446 1.7778 1.7778 2.5051 2.5051 2.6708 2.6708
3.1039 3.1039 3.8041 3.8041 4.9664 4.9664 5.7106 5.7106
5.7496 5.7496 6.1033 6.1033 6.1965 6.1965 6.4478 6.4478
6.8041 6.8041 7.0254 7.0254 7.1727 7.1727 7.4574 7.4574
8.0980 8.0980 8.1896 8.1896 8.6326 8.6326 9.0020 9.0020
10.9133 10.9133 10.9717 10.9717 11.9828 11.9828 13.0703 13.0703
k = 0.3843 0.2219 0.5821 ( 3222 PWs) bands (ev):
-4.8015 -4.8015 -2.7914 -2.7914 -2.4809 -2.4809 -1.4322 -1.4322
0.2201 0.2201 1.6985 1.6985 2.5731 2.5731 2.7607 2.7607
3.0877 3.0877 3.8188 3.8188 5.0096 5.0096 5.7558 5.7558
5.7592 5.7592 6.0809 6.0809 6.1292 6.1292 6.4549 6.4549
6.8035 6.8035 7.0146 7.0146 7.1991 7.1991 7.4106 7.4106
8.1132 8.1132 8.1800 8.1800 8.6094 8.6094 8.9719 8.9719
10.8798 10.8798 10.9500 10.9500 12.0439 12.0439 13.0433 13.0433
k = 0.3796 0.2192 0.5973 ( 3224 PWs) bands (ev):
-4.7940 -4.7940 -2.8014 -2.8014 -2.4706 -2.4706 -1.4462 -1.4462
0.1974 0.1974 1.6199 1.6199 2.6336 2.6336 2.8409 2.8409
3.0838 3.0838 3.8444 3.8444 5.0429 5.0429 5.7497 5.7497
5.8058 5.8058 5.9663 5.9663 6.1472 6.1472 6.4671 6.4671
6.8041 6.8041 7.0133 7.0133 7.2250 7.2250 7.3643 7.3643
8.1257 8.1257 8.1696 8.1696 8.5908 8.5908 8.9402 8.9402
10.8517 10.8517 10.9276 10.9276 12.1087 12.1087 13.0199 13.0199
k = 0.3750 0.2165 0.6124 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1675 8.1675 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.6250-0.0722 0.4082 ( 3238 PWs) bands (ev):
-4.7890 -4.7890 -2.8173 -2.8173 -2.4477 -2.4477 -1.4590 -1.4590
0.1763 0.1763 1.5430 1.5430 2.6846 2.6846 2.8969 2.8969
3.1063 3.1063 3.8816 3.8816 5.0665 5.0665 5.7278 5.7278
5.8407 5.8407 5.8618 5.8618 6.1609 6.1609 6.4847 6.4847
6.8084 6.8084 7.0200 7.0200 7.2407 7.2407 7.3275 7.3275
8.1254 8.1254 8.1674 8.1674 8.5769 8.5769 8.9071 8.9071
10.8295 10.8295 10.9047 10.9047 12.1767 12.1767 13.0000 13.0000
k = 0.6172-0.0857 0.4082 ( 3222 PWs) bands (ev):
-4.7834 -4.7834 -2.8458 -2.8458 -2.3987 -2.3987 -1.4788 -1.4788
0.1424 0.1424 1.4165 1.4165 2.7625 2.7625 2.9615 2.9615
3.1761 3.1761 3.9555 3.9555 5.0971 5.0971 5.6755 5.6755
5.7726 5.7726 5.8113 5.8113 6.1707 6.1707 6.5227 6.5227
6.8202 6.8202 7.0391 7.0391 7.2408 7.2408 7.2920 7.2920
8.1065 8.1065 8.1776 8.1776 8.5571 8.5571 8.8508 8.8508
10.7984 10.7984 10.8675 10.8675 12.2955 12.2955 12.9698 12.9698
k = 0.6094-0.0992 0.4082 ( 3222 PWs) bands (ev):
-4.7793 -4.7793 -2.8725 -2.8725 -2.3457 -2.3457 -1.4976 -1.4976
0.1086 0.1086 1.2933 1.2933 2.8404 2.8404 3.0257 3.0257
3.2470 3.2470 4.0308 4.0308 5.1252 5.1252 5.6216 5.6216
5.7039 5.7039 5.7607 5.7607 6.1592 6.1592 6.5716 6.5716
6.8316 6.8316 7.0607 7.0607 7.2263 7.2263 7.2725 7.2725
8.0868 8.0868 8.1873 8.1873 8.5360 8.5360 8.7959 8.7959
10.7696 10.7696 10.8329 10.8329 12.4170 12.4170 12.9407 12.9407
k = 0.6016-0.1128 0.4082 ( 3230 PWs) bands (ev):
-4.7764 -4.7764 -2.8974 -2.8974 -2.2894 -2.2894 -1.5153 -1.5153
0.0745 0.0745 1.1744 1.1744 2.9181 2.9181 3.0891 3.0891
3.3186 3.3186 4.1072 4.1072 5.1510 5.1510 5.5664 5.5664
5.6350 5.6350 5.7100 5.7100 6.1313 6.1313 6.6284 6.6284
6.8427 6.8427 7.0822 7.0822 7.1978 7.1978 7.2691 7.2691
8.0664 8.0664 8.1960 8.1960 8.5139 8.5139 8.7431 8.7431
10.7429 10.7429 10.8009 10.8009 12.5404 12.5404 12.9124 12.9124
k = 0.5938-0.1263 0.4082 ( 3242 PWs) bands (ev):
-4.7746 -4.7746 -2.9205 -2.9205 -2.2300 -2.2300 -1.5318 -1.5318
0.0398 0.0398 1.0604 1.0604 2.9952 2.9952 3.1515 3.1515
3.3907 3.3907 4.1845 4.1845 5.1742 5.1742 5.5102 5.5102
5.5658 5.5658 5.6596 5.6596 6.0921 6.0921 6.6892 6.6892
6.8540 6.8540 7.0998 7.0998 7.1698 7.1698 7.2701 7.2701
8.0459 8.0459 8.2031 8.2031 8.4912 8.4912 8.6935 8.6935
10.7184 10.7184 10.7713 10.7713 12.6646 12.6646 12.8847 12.8847
k = 0.5859-0.1398 0.4082 ( 3246 PWs) bands (ev):
-4.7736 -4.7736 -2.9419 -2.9419 -2.1682 -2.1682 -1.5472 -1.5472
0.0042 0.0042 0.9524 0.9524 3.0715 3.0715 3.2125 3.2125
3.4630 3.4630 4.2623 4.2623 5.1948 5.1948 5.4536 5.4536
5.4968 5.4968 5.6096 5.6096 6.0450 6.0450 6.7508 6.7508
6.8662 6.8662 7.1030 7.1030 7.1562 7.1562 7.2716 7.2716
8.0254 8.0254 8.2080 8.2080 8.4683 8.4683 8.6477 8.6477
10.6959 10.6959 10.7442 10.7442 12.7887 12.7887 12.8576 12.8576
k = 0.5781-0.1534 0.4082 ( 3248 PWs) bands (ev):
-4.7733 -4.7733 -2.9613 -2.9613 -2.1046 -2.1046 -1.5613 -1.5613
-0.0327 -0.0327 0.8513 0.8513 3.1463 3.1463 3.2716 3.2716
3.5352 3.5352 4.3403 4.3403 5.2123 5.2123 5.3974 5.3974
5.4280 5.4280 5.5605 5.5605 5.9923 5.9923 6.8091 6.8091
6.8815 6.8815 7.0853 7.0853 7.1639 7.1639 7.2728 7.2728
8.0054 8.0054 8.2098 8.2098 8.4457 8.4457 8.6063 8.6063
10.6754 10.6754 10.7195 10.7195 12.8313 12.8313 12.9121 12.9121
k = 0.5703-0.1669 0.4082 ( 3242 PWs) bands (ev):
-4.7736 -4.7736 -2.9790 -2.9790 -2.0399 -2.0399 -1.5741 -1.5741
-0.0715 -0.0715 0.7583 0.7583 3.2192 3.2192 3.3285 3.3285
3.6067 3.6067 4.4181 4.4181 5.2257 5.2257 5.3432 5.3432
5.3598 5.3598 5.5128 5.5128 5.9357 5.9357 6.8538 6.8538
6.9092 6.9092 7.0616 7.0616 7.1784 7.1784 7.2737 7.2737
7.9860 7.9860 8.2078 8.2078 8.4242 8.4242 8.5702 8.5702
10.6568 10.6568 10.6972 10.6972 12.8060 12.8060 13.0337 13.0337
k = 0.5625-0.1804 0.4082 ( 3250 PWs) bands (ev):
-4.7742 -4.7742 -2.9948 -2.9948 -1.9749 -1.9749 -1.5856 -1.5856
-0.1122 -0.1122 0.6743 0.6743 3.2895 3.2895 3.3824 3.3824
3.6771 3.6771 4.4954 4.4954 5.2295 5.2295 5.2927 5.2927
5.2975 5.2975 5.4669 5.4669 5.8764 5.8764 6.8764 6.8764
6.9563 6.9563 7.0387 7.0387 7.1930 7.1930 7.2740 7.2740
7.9676 7.9676 8.2013 8.2013 8.4039 8.4039 8.5396 8.5396
10.6400 10.6400 10.6774 10.6774 12.7819 12.7819 13.1525 13.1525
k = 0.5547-0.1940 0.4082 ( 3246 PWs) bands (ev):
-4.7751 -4.7751 -3.0088 -3.0088 -1.9108 -1.9108 -1.5958 -1.5958
-0.1549 -0.1549 0.6002 0.6002 3.3563 3.3563 3.4328 3.4328
3.7455 3.7455 4.5716 4.5716 5.2058 5.2058 5.2275 5.2275
5.2789 5.2789 5.4236 5.4236 5.8154 5.8154 6.8889 6.8889
7.0080 7.0080 7.0197 7.0197 7.2065 7.2065 7.2739 7.2739
7.9504 7.9504 8.1906 8.1906 8.3852 8.3852 8.5152 8.5152
10.6250 10.6250 10.6601 10.6601 12.7594 12.7594 13.2676 13.2676
k = 0.5469-0.2075 0.4082 ( 3252 PWs) bands (ev):
-4.7761 -4.7761 -3.0209 -3.0209 -1.8489 -1.8489 -1.6047 -1.6047
-0.1989 -0.1989 0.5368 0.5368 3.4186 3.4186 3.4790 3.4790
3.8110 3.8110 4.6460 4.6460 5.1616 5.1616 5.1652 5.1652
5.2812 5.2812 5.3835 5.3835 5.7538 5.7538 6.8978 6.8978
7.0003 7.0003 7.0614 7.0614 7.2186 7.2186 7.2735 7.2735
7.9348 7.9348 8.1761 8.1761 8.3682 8.3682 8.4967 8.4967
10.6118 10.6118 10.6453 10.6453 12.7389 12.7389 13.3775 13.3775
k = 0.5391-0.2210 0.4082 ( 3252 PWs) bands (ev):
-4.7771 -4.7771 -3.0311 -3.0311 -1.7906 -1.7906 -1.6123 -1.6123
-0.2429 -0.2429 0.4842 0.4842 3.4752 3.4752 3.5201 3.5201
3.8723 3.8723 4.7175 4.7175 5.1057 5.1057 5.1170 5.1170
5.2872 5.2872 5.3475 5.3475 5.6929 5.6929 6.9043 6.9043
6.9867 6.9867 7.1078 7.1078 7.2296 7.2296 7.2728 7.2728
7.9210 7.9210 8.1593 8.1593 8.3530 8.3530 8.4835 8.4835
10.6004 10.6004 10.6329 10.6329 12.7208 12.7208 13.4807 13.4807
k = 0.5312-0.2345 0.4082 ( 3262 PWs) bands (ev):
-4.7781 -4.7781 -3.0395 -3.0395 -1.7380 -1.7380 -1.6185 -1.6185
-0.2850 -0.2850 0.4422 0.4422 3.5248 3.5248 3.5553 3.5553
3.9279 3.9279 4.7845 4.7845 5.0523 5.0523 5.0756 5.0756
5.2929 5.2929 5.3164 5.3164 5.6343 5.6343 6.9082 6.9082
6.9770 6.9770 7.1476 7.1476 7.2398 7.2398 7.2718 7.2718
7.9093 7.9093 8.1418 8.1418 8.3398 8.3398 8.4745 8.4745
10.5908 10.5908 10.6230 10.6230 12.7054 12.7054 13.5748 13.5748
k = 0.5234-0.2481 0.4082 ( 3262 PWs) bands (ev):
-4.7789 -4.7789 -3.0461 -3.0461 -1.6933 -1.6933 -1.6233 -1.6233
-0.3223 -0.3223 0.4104 0.4104 3.5657 3.5657 3.5837 3.5837
3.9754 3.9754 4.8447 4.8447 5.0065 5.0065 5.0407 5.0407
5.2911 5.2911 5.2977 5.2977 5.5806 5.5806 6.9098 6.9098
6.9712 6.9712 7.1788 7.1788 7.2497 7.2497 7.2709 7.2709
7.9000 7.9000 8.1257 8.1257 8.3290 8.3290 8.4689 8.4689
10.5833 10.5833 10.6153 10.6153 12.6931 12.6931 13.6567 13.6567
k = 0.5156-0.2616 0.4082 ( 3258 PWs) bands (ev):
-4.7795 -4.7795 -3.0507 -3.0507 -1.6589 -1.6589 -1.6267 -1.6267
-0.3520 -0.3520 0.3883 0.3883 3.5964 3.5964 3.6047 3.6047
4.0124 4.0124 4.8942 4.8942 4.9707 4.9707 5.0142 5.0142
5.2724 5.2724 5.3010 5.3010 5.5357 5.5357 6.9097 6.9097
6.9683 6.9683 7.2000 7.2000 7.2590 7.2590 7.2702 7.2702
7.8931 7.8931 8.1125 8.1125 8.3210 8.3210 8.4656 8.4656
10.5778 10.5778 10.6100 10.6100 12.6841 12.6841 13.7218 13.7218
k = 0.5078-0.2751 0.4082 ( 3250 PWs) bands (ev):
-4.7799 -4.7799 -3.0535 -3.0535 -1.6371 -1.6371 -1.6287 -1.6287
-0.3712 -0.3712 0.3753 0.3753 3.6154 3.6154 3.6177 3.6177
4.0360 4.0360 4.9277 4.9277 4.9479 4.9479 4.9976 4.9976
5.2609 5.2609 5.3031 5.3031 5.5049 5.5049 6.9091 6.9091
6.9672 6.9672 7.2116 7.2116 7.2650 7.2650 7.2711 7.2711
7.8890 7.8890 8.1039 8.1039 8.3162 8.3162 8.4639 8.4639
10.5745 10.5745 10.6068 10.6068 12.6787 12.6787 13.7646 13.7646
k = 0.5000-0.2887 0.4082 ( 3250 PWs) bands (ev):
-4.7800 -4.7800 -3.0544 -3.0544 -1.6304 -1.6304 -1.6286 -1.6286
-0.3779 -0.3779 0.3710 0.3710 3.6217 3.6217 3.6222 3.6222
4.0442 4.0442 4.9386 4.9386 4.9412 4.9412 4.9919 4.9919
5.2570 5.2570 5.3037 5.3037 5.4937 5.4937 6.9088 6.9088
6.9670 6.9670 7.2152 7.2152 7.2662 7.2662 7.2725 7.2725
7.8876 7.8876 8.1010 8.1010 8.3145 8.3145 8.4633 8.4633
10.5734 10.5734 10.6057 10.6057 12.6768 12.6768 13.7797 13.7797
Writing output data file NiB12.save
init_run : 0.17s CPU 0.28s WALL ( 1 calls)
electrons : 161.94s CPU 164.19s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.02s CPU 0.04s WALL ( 1 calls)
Called by electrons:
c_bands : 161.93s CPU 164.18s 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 0.00s WALL ( 1 calls)
newd : 0.03s CPU 0.05s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.04s CPU 0.04s WALL ( 291 calls)
cegterg : 140.70s CPU 142.43s WALL ( 439 calls)
Called by sum_band:
Called by *egterg:
h_psi : 92.56s CPU 93.88s WALL ( 7591 calls)
s_psi : 4.82s CPU 4.77s WALL ( 7591 calls)
g_psi : 0.12s CPU 0.16s WALL ( 6861 calls)
cdiaghg : 50.48s CPU 51.23s WALL ( 7152 calls)
cegterg:over : 4.16s CPU 4.17s WALL ( 6861 calls)
cegterg:upda : 3.65s CPU 3.37s WALL ( 6861 calls)
cegterg:last : 1.92s CPU 2.01s WALL ( 1021 calls)
cdiaghg:chol : 2.68s CPU 2.80s WALL ( 7152 calls)
cdiaghg:inve : 1.84s CPU 1.92s WALL ( 7152 calls)
cdiaghg:para : 2.97s CPU 2.95s WALL ( 14304 calls)
Called by h_psi:
h_psi:vloc : 80.28s CPU 81.54s WALL ( 7591 calls)
h_psi:vnl : 12.14s CPU 12.18s WALL ( 7591 calls)
add_vuspsi : 5.97s CPU 5.92s WALL ( 7591 calls)
General routines
calbec : 6.14s CPU 6.24s WALL ( 7591 calls)
fft : 0.01s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 75.03s CPU 76.39s WALL ( 761672 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.16s CPU 0.17s WALL ( 582 calls)
Parallel routines
fft_scatter : 23.48s CPU 23.91s WALL ( 761695 calls)
PWSCF : 2m55.13s CPU 3m 5.74s WALL
This run was terminated on: 13:41:27 3Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=