Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20:16:37
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 72 processors
R & G space division: proc/nbgrp/npool/nimage = 72
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:
./CsAuI3.save/
file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized
file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 118 89 24 5732 3749 520
Max 119 90 25 5735 3779 524
Sum 8543 6439 1729 412815 270653 37613
bravais-lattice index = 14
lattice parameter (alat) = 15.9081 a.u.
unit-cell volume = 2799.9149 (a.u.)^3
number of atoms/cell = 10
number of atomic types = 3
number of electrons = 82.00
number of Kohn-Sham states= 98
kinetic-energy cutoff = 80.0000 Ry
charge density cutoff = 424.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 15.908131 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= -0.515817 celldm(5)= -0.515817 celldm(6)= 0.031634
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.031634 0.999500 0.000000 )
a(3) = ( -0.515817 -0.499750 0.695833 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.031650 0.718564 )
b(2) = ( 0.000000 1.000501 0.718564 )
b(3) = ( 0.000000 0.000000 1.437127 )
PseudoPot. # 1 for Au read from file:
/users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1279 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 I read from file:
/users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1247 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Cs read from file:
/users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF
MD5 check sum: b26d75608c6aa7e713949ad9f7a49707
Pseudo is Norm-conserving, Zval = 9.0
Generated using ONCVPSP code by D. R. Hamann
Using radial grid of 2414 points, 14 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
l(11) = 3
l(12) = 3
l(13) = 3
l(14) = 3
atomic species valence mass pseudopotential
Au 11.00 196.96660 Au( 1.00)
I 7.00 126.90450 I( 1.00)
Cs 9.00 132.90550 Cs( 1.00)
4 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 [0,0,1]
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 1 1 1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 inversion
cryst. s( 3) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 1 0 )
( -1 -1 -1 )
cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_2h (2/m)
there are 8 classes and 4 irreducible representations
the character table:
E -E C2 -C2 i -i s_h -s_h
G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
imaginary part
E -E C2 -C2 i -i s_h -s_h
G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00
G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00
G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 -1.00 1.00 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
C2 2
180 deg rotation - cart. axis [0,0,1]
-C2 -2
180 deg rotation - cart. axis [0,0,1] E
i 3
inversion
-i -3
inversion E
s_h 4
inv. 180 deg rotation - cart. axis [0,0,1]
-s_h -4
inv. 180 deg rotation - cart. axis [0,0,1] E
Cartesian axes
number of k points= 209 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 2) = ( 0.0000000 0.0000000 0.0266135), wk = 0.0047847
k( 3) = ( 0.0000000 0.0000000 0.0532269), wk = 0.0047847
k( 4) = ( 0.0000000 0.0000000 0.0798404), wk = 0.0047847
k( 5) = ( 0.0000000 0.0000000 0.1064539), wk = 0.0047847
k( 6) = ( 0.0000000 0.0000000 0.1330673), wk = 0.0047847
k( 7) = ( 0.0000000 0.0000000 0.1596808), wk = 0.0047847
k( 8) = ( 0.0000000 0.0000000 0.1862943), wk = 0.0047847
k( 9) = ( 0.0000000 0.0000000 0.2129077), wk = 0.0047847
k( 10) = ( 0.0000000 0.0000000 0.2395212), wk = 0.0047847
k( 11) = ( 0.0000000 0.0000000 0.2661347), wk = 0.0047847
k( 12) = ( 0.0000000 0.0000000 0.2927481), wk = 0.0047847
k( 13) = ( 0.0000000 0.0000000 0.3193616), wk = 0.0047847
k( 14) = ( 0.0000000 0.0000000 0.3459751), wk = 0.0047847
k( 15) = ( 0.0000000 0.0000000 0.3725886), wk = 0.0047847
k( 16) = ( 0.0000000 0.0000000 0.3992020), wk = 0.0047847
k( 17) = ( 0.0000000 0.0000000 0.4258155), wk = 0.0047847
k( 18) = ( 0.0000000 0.0000000 0.4524289), wk = 0.0047847
k( 19) = ( 0.0000000 0.0000000 0.4790424), wk = 0.0047847
k( 20) = ( 0.0000000 0.0000000 0.5056559), wk = 0.0047847
k( 21) = ( 0.0000000 0.0000000 0.5322694), wk = 0.0047847
k( 22) = ( 0.0000000 0.0000000 0.5588828), wk = 0.0047847
k( 23) = ( 0.0000000 0.0000000 0.5854963), wk = 0.0047847
k( 24) = ( 0.0000000 0.0000000 0.6121098), wk = 0.0047847
k( 25) = ( 0.0000000 0.0000000 0.6387232), wk = 0.0047847
k( 26) = ( 0.0000000 0.0000000 0.6653367), wk = 0.0047847
k( 27) = ( 0.0000000 0.0000000 0.6919502), wk = 0.0047847
k( 28) = ( 0.0000000 0.0000000 0.7185636), wk = 0.0047847
k( 29) = ( 0.0000000 0.0000000 0.7185636), wk = 0.0047847
k( 30) = ( -0.0180514 0.0186318 0.7185636), wk = 0.0047847
k( 31) = ( -0.0361028 0.0372635 0.7185636), wk = 0.0047847
k( 32) = ( -0.0541542 0.0558952 0.7185636), wk = 0.0047847
k( 33) = ( -0.0722055 0.0745270 0.7185636), wk = 0.0047847
k( 34) = ( -0.0902569 0.0931587 0.7185636), wk = 0.0047847
k( 35) = ( -0.1083083 0.1117905 0.7185636), wk = 0.0047847
k( 36) = ( -0.1263597 0.1304222 0.7185636), wk = 0.0047847
k( 37) = ( -0.1444111 0.1490540 0.7185636), wk = 0.0047847
k( 38) = ( -0.1624625 0.1676857 0.7185636), wk = 0.0047847
k( 39) = ( -0.1805139 0.1863175 0.7185636), wk = 0.0047847
k( 40) = ( -0.1985652 0.2049492 0.7185636), wk = 0.0047847
k( 41) = ( -0.2166166 0.2235810 0.7185636), wk = 0.0047847
k( 42) = ( -0.2346680 0.2422127 0.7185636), wk = 0.0047847
k( 43) = ( -0.2346680 0.2422127 0.7185636), wk = 0.0047847
k( 44) = ( -0.2467286 0.2546610 0.7012311), wk = 0.0047847
k( 45) = ( -0.2587891 0.2671093 0.6838986), wk = 0.0047847
k( 46) = ( -0.2708496 0.2795576 0.6665660), wk = 0.0047847
k( 47) = ( -0.2829102 0.2920059 0.6492335), wk = 0.0047847
k( 48) = ( -0.2949707 0.3044542 0.6319009), wk = 0.0047847
k( 49) = ( -0.3070313 0.3169025 0.6145684), wk = 0.0047847
k( 50) = ( -0.3190918 0.3293508 0.5972359), wk = 0.0047847
k( 51) = ( -0.3311524 0.3417991 0.5799033), wk = 0.0047847
k( 52) = ( -0.3432129 0.3542474 0.5625708), wk = 0.0047847
k( 53) = ( -0.3552735 0.3666957 0.5452383), wk = 0.0047847
k( 54) = ( -0.3673340 0.3791440 0.5279057), wk = 0.0047847
k( 55) = ( -0.3673340 0.3791440 0.5279057), wk = 0.0047847
k( 56) = ( -0.3542149 0.3656031 0.5090519), wk = 0.0047847
k( 57) = ( -0.3410959 0.3520623 0.4901982), wk = 0.0047847
k( 58) = ( -0.3279768 0.3385214 0.4713444), wk = 0.0047847
k( 59) = ( -0.3148577 0.3249806 0.4524906), wk = 0.0047847
k( 60) = ( -0.3017386 0.3114397 0.4336368), wk = 0.0047847
k( 61) = ( -0.2886196 0.2978989 0.4147831), wk = 0.0047847
k( 62) = ( -0.2755005 0.2843580 0.3959293), wk = 0.0047847
k( 63) = ( -0.2623814 0.2708171 0.3770755), wk = 0.0047847
k( 64) = ( -0.2492624 0.2572763 0.3582217), wk = 0.0047847
k( 65) = ( -0.2361433 0.2437354 0.3393680), wk = 0.0047847
k( 66) = ( -0.2230242 0.2301946 0.3205142), wk = 0.0047847
k( 67) = ( -0.2099052 0.2166537 0.3016604), wk = 0.0047847
k( 68) = ( -0.1967861 0.2031129 0.2828066), wk = 0.0047847
k( 69) = ( -0.1836670 0.1895720 0.2639529), wk = 0.0047847
k( 70) = ( -0.1705479 0.1760311 0.2450991), wk = 0.0047847
k( 71) = ( -0.1574289 0.1624903 0.2262453), wk = 0.0047847
k( 72) = ( -0.1443098 0.1489494 0.2073915), wk = 0.0047847
k( 73) = ( -0.1311907 0.1354086 0.1885378), wk = 0.0047847
k( 74) = ( -0.1180717 0.1218677 0.1696840), wk = 0.0047847
k( 75) = ( -0.1049526 0.1083269 0.1508302), wk = 0.0047847
k( 76) = ( -0.0918335 0.0947860 0.1319764), wk = 0.0047847
k( 77) = ( -0.0787144 0.0812451 0.1131227), wk = 0.0047847
k( 78) = ( -0.0655954 0.0677043 0.0942689), wk = 0.0047847
k( 79) = ( -0.0524763 0.0541634 0.0754151), wk = 0.0047847
k( 80) = ( -0.0393572 0.0406226 0.0565613), wk = 0.0047847
k( 81) = ( -0.0262381 0.0270817 0.0377075), wk = 0.0047847
k( 82) = ( -0.0131191 0.0135409 0.0188538), wk = 0.0047847
k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 85) = ( 0.0192308 0.0186317 -0.0000000), wk = 0.0047847
k( 86) = ( 0.0384615 0.0372635 -0.0000000), wk = 0.0047847
k( 87) = ( 0.0576923 0.0558952 -0.0000000), wk = 0.0047847
k( 88) = ( 0.0769231 0.0745270 -0.0000000), wk = 0.0047847
k( 89) = ( 0.0961538 0.0931587 -0.0000000), wk = 0.0047847
k( 90) = ( 0.1153846 0.1117905 -0.0000000), wk = 0.0047847
k( 91) = ( 0.1346154 0.1304222 -0.0000000), wk = 0.0047847
k( 92) = ( 0.1538461 0.1490540 -0.0000000), wk = 0.0047847
k( 93) = ( 0.1730769 0.1676857 -0.0000000), wk = 0.0047847
k( 94) = ( 0.1923077 0.1863175 -0.0000000), wk = 0.0047847
k( 95) = ( 0.2115385 0.2049492 -0.0000000), wk = 0.0047847
k( 96) = ( 0.2307692 0.2235810 -0.0000000), wk = 0.0047847
k( 97) = ( 0.2500000 0.2422127 -0.0000000), wk = 0.0047847
k( 98) = ( 0.2692308 0.2608445 -0.0000000), wk = 0.0047847
k( 99) = ( 0.2884615 0.2794762 -0.0000000), wk = 0.0047847
k( 100) = ( 0.3076923 0.2981080 -0.0000000), wk = 0.0047847
k( 101) = ( 0.3269231 0.3167397 -0.0000000), wk = 0.0047847
k( 102) = ( 0.3461538 0.3353715 -0.0000000), wk = 0.0047847
k( 103) = ( 0.3653846 0.3540032 -0.0000000), wk = 0.0047847
k( 104) = ( 0.3846154 0.3726350 -0.0000000), wk = 0.0047847
k( 105) = ( 0.4038462 0.3912667 -0.0000000), wk = 0.0047847
k( 106) = ( 0.4230769 0.4098985 -0.0000000), wk = 0.0047847
k( 107) = ( 0.4423077 0.4285302 -0.0000000), wk = 0.0047847
k( 108) = ( 0.4615385 0.4471620 -0.0000000), wk = 0.0047847
k( 109) = ( 0.4807692 0.4657937 -0.0000000), wk = 0.0047847
k( 110) = ( 0.5000000 0.4844255 -0.0000000), wk = 0.0047847
k( 111) = ( 0.5000000 0.4844255 -0.0000000), wk = 0.0047847
k( 112) = ( 0.4879395 0.4968737 0.0173325), wk = 0.0047847
k( 113) = ( 0.4758789 0.5093220 0.0346651), wk = 0.0047847
k( 114) = ( 0.4638184 0.5217703 0.0519976), wk = 0.0047847
k( 115) = ( 0.4517578 0.5342186 0.0693302), wk = 0.0047847
k( 116) = ( 0.4396973 0.5466669 0.0866627), wk = 0.0047847
k( 117) = ( 0.4276367 0.5591152 0.1039952), wk = 0.0047847
k( 118) = ( 0.4155762 0.5715635 0.1213278), wk = 0.0047847
k( 119) = ( 0.4035156 0.5840118 0.1386603), wk = 0.0047847
k( 120) = ( 0.3914551 0.5964601 0.1559928), wk = 0.0047847
k( 121) = ( 0.3793945 0.6089084 0.1733254), wk = 0.0047847
k( 122) = ( 0.3673340 0.6213567 0.1906579), wk = 0.0047847
k( 123) = ( 0.3673340 0.6213567 0.1906579), wk = 0.0047847
k( 124) = ( 0.3443756 0.6137876 0.2011969), wk = 0.0047847
k( 125) = ( 0.3214173 0.6062184 0.2117359), wk = 0.0047847
k( 126) = ( 0.2984589 0.5986493 0.2222749), wk = 0.0047847
k( 127) = ( 0.2755005 0.5910801 0.2328139), wk = 0.0047847
k( 128) = ( 0.2525421 0.5835110 0.2433529), wk = 0.0047847
k( 129) = ( 0.2295838 0.5759418 0.2538919), wk = 0.0047847
k( 130) = ( 0.2066254 0.5683727 0.2644309), wk = 0.0047847
k( 131) = ( 0.1836670 0.5608036 0.2749699), wk = 0.0047847
k( 132) = ( 0.1607086 0.5532344 0.2855089), wk = 0.0047847
k( 133) = ( 0.1377502 0.5456653 0.2960479), wk = 0.0047847
k( 134) = ( 0.1147919 0.5380961 0.3065868), wk = 0.0047847
k( 135) = ( 0.0918335 0.5305270 0.3171258), wk = 0.0047847
k( 136) = ( 0.0688751 0.5229578 0.3276648), wk = 0.0047847
k( 137) = ( 0.0459167 0.5153887 0.3382038), wk = 0.0047847
k( 138) = ( 0.0229584 0.5078195 0.3487428), wk = 0.0047847
k( 139) = ( 0.0000000 0.5002504 0.3592818), wk = 0.0047847
k( 140) = ( 0.0000000 0.5002504 0.3592818), wk = 0.0047847
k( 141) = ( 0.0131579 0.4866694 0.3781914), wk = 0.0047847
k( 142) = ( 0.0263158 0.4730885 0.3971010), wk = 0.0047847
k( 143) = ( 0.0394737 0.4595076 0.4160105), wk = 0.0047847
k( 144) = ( 0.0526316 0.4459267 0.4349201), wk = 0.0047847
k( 145) = ( 0.0657895 0.4323457 0.4538297), wk = 0.0047847
k( 146) = ( 0.0789474 0.4187648 0.4727392), wk = 0.0047847
k( 147) = ( 0.0921053 0.4051839 0.4916488), wk = 0.0047847
k( 148) = ( 0.1052632 0.3916029 0.5105584), wk = 0.0047847
k( 149) = ( 0.1184210 0.3780220 0.5294679), wk = 0.0047847
k( 150) = ( 0.1315790 0.3644411 0.5483775), wk = 0.0047847
k( 151) = ( 0.1447368 0.3508602 0.5672871), wk = 0.0047847
k( 152) = ( 0.1578947 0.3372792 0.5861967), wk = 0.0047847
k( 153) = ( 0.1710526 0.3236983 0.6051062), wk = 0.0047847
k( 154) = ( 0.1842105 0.3101174 0.6240158), wk = 0.0047847
k( 155) = ( 0.1973684 0.2965364 0.6429254), wk = 0.0047847
k( 156) = ( 0.2105263 0.2829555 0.6618349), wk = 0.0047847
k( 157) = ( 0.2236842 0.2693746 0.6807445), wk = 0.0047847
k( 158) = ( 0.2368421 0.2557936 0.6996541), wk = 0.0047847
k( 159) = ( 0.2500000 0.2422127 0.7185636), wk = 0.0047847
k( 160) = ( 0.2500000 0.2422127 0.7185636), wk = 0.0047847
k( 161) = ( 0.2631579 0.2549608 0.7008137), wk = 0.0047847
k( 162) = ( 0.2763158 0.2677088 0.6830639), wk = 0.0047847
k( 163) = ( 0.2894737 0.2804568 0.6653140), wk = 0.0047847
k( 164) = ( 0.3026316 0.2932049 0.6475641), wk = 0.0047847
k( 165) = ( 0.3157895 0.3059529 0.6298142), wk = 0.0047847
k( 166) = ( 0.3289474 0.3187010 0.6120643), wk = 0.0047847
k( 167) = ( 0.3421053 0.3314490 0.5943144), wk = 0.0047847
k( 168) = ( 0.3552632 0.3441970 0.5765646), wk = 0.0047847
k( 169) = ( 0.3684211 0.3569451 0.5588147), wk = 0.0047847
k( 170) = ( 0.3815789 0.3696931 0.5410648), wk = 0.0047847
k( 171) = ( 0.3947368 0.3824411 0.5233149), wk = 0.0047847
k( 172) = ( 0.4078947 0.3951892 0.5055650), wk = 0.0047847
k( 173) = ( 0.4210526 0.4079372 0.4878151), wk = 0.0047847
k( 174) = ( 0.4342105 0.4206853 0.4700653), wk = 0.0047847
k( 175) = ( 0.4473684 0.4334333 0.4523154), wk = 0.0047847
k( 176) = ( 0.4605263 0.4461813 0.4345655), wk = 0.0047847
k( 177) = ( 0.4736842 0.4589294 0.4168156), wk = 0.0047847
k( 178) = ( 0.4868421 0.4716774 0.3990657), wk = 0.0047847
k( 179) = ( 0.5000000 0.4844255 0.3813158), wk = 0.0047847
k( 180) = ( 0.5000000 0.4844255 0.3813158), wk = 0.0047847
k( 181) = ( 0.5000000 0.4844255 0.3558948), wk = 0.0047847
k( 182) = ( 0.5000000 0.4844255 0.3304737), wk = 0.0047847
k( 183) = ( 0.5000000 0.4844255 0.3050527), wk = 0.0047847
k( 184) = ( 0.5000000 0.4844255 0.2796316), wk = 0.0047847
k( 185) = ( 0.5000000 0.4844255 0.2542106), wk = 0.0047847
k( 186) = ( 0.5000000 0.4844255 0.2287895), wk = 0.0047847
k( 187) = ( 0.5000000 0.4844255 0.2033684), wk = 0.0047847
k( 188) = ( 0.5000000 0.4844255 0.1779474), wk = 0.0047847
k( 189) = ( 0.5000000 0.4844255 0.1525263), wk = 0.0047847
k( 190) = ( 0.5000000 0.4844255 0.1271053), wk = 0.0047847
k( 191) = ( 0.5000000 0.4844255 0.1016842), wk = 0.0047847
k( 192) = ( 0.5000000 0.4844255 0.0762632), wk = 0.0047847
k( 193) = ( 0.5000000 0.4844255 0.0508421), wk = 0.0047847
k( 194) = ( 0.5000000 0.4844255 0.0254211), wk = 0.0047847
k( 195) = ( 0.5000000 0.4844255 -0.0000000), wk = 0.0047847
k( 196) = ( 0.0000000 0.0000000 0.7185636), wk = 0.0047847
k( 197) = ( 0.0192308 0.0186317 0.7185636), wk = 0.0047847
k( 198) = ( 0.0384615 0.0372635 0.7185636), wk = 0.0047847
k( 199) = ( 0.0576923 0.0558952 0.7185636), wk = 0.0047847
k( 200) = ( 0.0769231 0.0745270 0.7185636), wk = 0.0047847
k( 201) = ( 0.0961538 0.0931587 0.7185636), wk = 0.0047847
k( 202) = ( 0.1153846 0.1117905 0.7185636), wk = 0.0047847
k( 203) = ( 0.1346154 0.1304222 0.7185636), wk = 0.0047847
k( 204) = ( 0.1538461 0.1490540 0.7185636), wk = 0.0047847
k( 205) = ( 0.1730769 0.1676857 0.7185636), wk = 0.0047847
k( 206) = ( 0.1923077 0.1863175 0.7185636), wk = 0.0047847
k( 207) = ( 0.2115385 0.2049492 0.7185636), wk = 0.0047847
k( 208) = ( 0.2307692 0.2235810 0.7185636), wk = 0.0047847
k( 209) = ( 0.2500000 0.2422127 0.7185636), wk = 0.0047847
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0047847
k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0047847
k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0047847
k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0047847
k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0047847
k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0047847
k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0047847
k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0047847
k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0047847
k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0047847
k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0047847
k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0047847
k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0047847
k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0047847
k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0047847
k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0047847
k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0047847
k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0047847
k( 20) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0047847
k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0047847
k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0047847
k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0047847
k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0047847
k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0047847
k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0047847
k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0047847
k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847
k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847
k( 30) = ( -0.0180514 0.0180514 0.5000000), wk = 0.0047847
k( 31) = ( -0.0361028 0.0361028 0.5000000), wk = 0.0047847
k( 32) = ( -0.0541542 0.0541542 0.5000000), wk = 0.0047847
k( 33) = ( -0.0722055 0.0722055 0.5000000), wk = 0.0047847
k( 34) = ( -0.0902569 0.0902569 0.5000000), wk = 0.0047847
k( 35) = ( -0.1083083 0.1083083 0.5000000), wk = 0.0047847
k( 36) = ( -0.1263597 0.1263597 0.5000000), wk = 0.0047847
k( 37) = ( -0.1444111 0.1444111 0.5000000), wk = 0.0047847
k( 38) = ( -0.1624625 0.1624625 0.5000000), wk = 0.0047847
k( 39) = ( -0.1805139 0.1805139 0.5000000), wk = 0.0047847
k( 40) = ( -0.1985652 0.1985652 0.5000000), wk = 0.0047847
k( 41) = ( -0.2166166 0.2166166 0.5000000), wk = 0.0047847
k( 42) = ( -0.2346680 0.2346680 0.5000000), wk = 0.0047847
k( 43) = ( -0.2346680 0.2346680 0.5000000), wk = 0.0047847
k( 44) = ( -0.2467286 0.2467286 0.4879395), wk = 0.0047847
k( 45) = ( -0.2587891 0.2587891 0.4758789), wk = 0.0047847
k( 46) = ( -0.2708496 0.2708497 0.4638184), wk = 0.0047847
k( 47) = ( -0.2829102 0.2829102 0.4517578), wk = 0.0047847
k( 48) = ( -0.2949707 0.2949707 0.4396973), wk = 0.0047847
k( 49) = ( -0.3070313 0.3070313 0.4276367), wk = 0.0047847
k( 50) = ( -0.3190918 0.3190918 0.4155762), wk = 0.0047847
k( 51) = ( -0.3311524 0.3311524 0.4035156), wk = 0.0047847
k( 52) = ( -0.3432129 0.3432129 0.3914551), wk = 0.0047847
k( 53) = ( -0.3552735 0.3552735 0.3793945), wk = 0.0047847
k( 54) = ( -0.3673340 0.3673340 0.3673340), wk = 0.0047847
k( 55) = ( -0.3673340 0.3673340 0.3673340), wk = 0.0047847
k( 56) = ( -0.3542149 0.3542149 0.3542149), wk = 0.0047847
k( 57) = ( -0.3410959 0.3410959 0.3410959), wk = 0.0047847
k( 58) = ( -0.3279768 0.3279768 0.3279768), wk = 0.0047847
k( 59) = ( -0.3148577 0.3148577 0.3148577), wk = 0.0047847
k( 60) = ( -0.3017386 0.3017386 0.3017386), wk = 0.0047847
k( 61) = ( -0.2886196 0.2886196 0.2886196), wk = 0.0047847
k( 62) = ( -0.2755005 0.2755005 0.2755005), wk = 0.0047847
k( 63) = ( -0.2623814 0.2623814 0.2623814), wk = 0.0047847
k( 64) = ( -0.2492624 0.2492624 0.2492624), wk = 0.0047847
k( 65) = ( -0.2361433 0.2361433 0.2361433), wk = 0.0047847
k( 66) = ( -0.2230242 0.2230242 0.2230242), wk = 0.0047847
k( 67) = ( -0.2099052 0.2099052 0.2099052), wk = 0.0047847
k( 68) = ( -0.1967861 0.1967861 0.1967861), wk = 0.0047847
k( 69) = ( -0.1836670 0.1836670 0.1836670), wk = 0.0047847
k( 70) = ( -0.1705479 0.1705479 0.1705479), wk = 0.0047847
k( 71) = ( -0.1574289 0.1574289 0.1574289), wk = 0.0047847
k( 72) = ( -0.1443098 0.1443098 0.1443098), wk = 0.0047847
k( 73) = ( -0.1311907 0.1311907 0.1311907), wk = 0.0047847
k( 74) = ( -0.1180717 0.1180717 0.1180717), wk = 0.0047847
k( 75) = ( -0.1049526 0.1049526 0.1049526), wk = 0.0047847
k( 76) = ( -0.0918335 0.0918335 0.0918335), wk = 0.0047847
k( 77) = ( -0.0787144 0.0787144 0.0787144), wk = 0.0047847
k( 78) = ( -0.0655954 0.0655954 0.0655954), wk = 0.0047847
k( 79) = ( -0.0524763 0.0524763 0.0524763), wk = 0.0047847
k( 80) = ( -0.0393572 0.0393572 0.0393572), wk = 0.0047847
k( 81) = ( -0.0262381 0.0262381 0.0262381), wk = 0.0047847
k( 82) = ( -0.0131191 0.0131191 0.0131191), wk = 0.0047847
k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847
k( 85) = ( 0.0192308 0.0192308 -0.0192308), wk = 0.0047847
k( 86) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0047847
k( 87) = ( 0.0576923 0.0576923 -0.0576923), wk = 0.0047847
k( 88) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0047847
k( 89) = ( 0.0961538 0.0961538 -0.0961538), wk = 0.0047847
k( 90) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0047847
k( 91) = ( 0.1346154 0.1346154 -0.1346154), wk = 0.0047847
k( 92) = ( 0.1538461 0.1538461 -0.1538461), wk = 0.0047847
k( 93) = ( 0.1730769 0.1730769 -0.1730769), wk = 0.0047847
k( 94) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0047847
k( 95) = ( 0.2115385 0.2115385 -0.2115385), wk = 0.0047847
k( 96) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0047847
k( 97) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0047847
k( 98) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0047847
k( 99) = ( 0.2884615 0.2884615 -0.2884615), wk = 0.0047847
k( 100) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0047847
k( 101) = ( 0.3269231 0.3269231 -0.3269231), wk = 0.0047847
k( 102) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0047847
k( 103) = ( 0.3653846 0.3653846 -0.3653846), wk = 0.0047847
k( 104) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0047847
k( 105) = ( 0.4038462 0.4038462 -0.4038462), wk = 0.0047847
k( 106) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0047847
k( 107) = ( 0.4423077 0.4423077 -0.4423077), wk = 0.0047847
k( 108) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0047847
k( 109) = ( 0.4807692 0.4807692 -0.4807692), wk = 0.0047847
k( 110) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0047847
k( 111) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0047847
k( 112) = ( 0.4879395 0.5120605 -0.4879395), wk = 0.0047847
k( 113) = ( 0.4758789 0.5241211 -0.4758789), wk = 0.0047847
k( 114) = ( 0.4638184 0.5361816 -0.4638184), wk = 0.0047847
k( 115) = ( 0.4517578 0.5482422 -0.4517578), wk = 0.0047847
k( 116) = ( 0.4396973 0.5603027 -0.4396973), wk = 0.0047847
k( 117) = ( 0.4276367 0.5723633 -0.4276367), wk = 0.0047847
k( 118) = ( 0.4155762 0.5844238 -0.4155762), wk = 0.0047847
k( 119) = ( 0.4035156 0.5964844 -0.4035156), wk = 0.0047847
k( 120) = ( 0.3914551 0.6085449 -0.3914551), wk = 0.0047847
k( 121) = ( 0.3793945 0.6206055 -0.3793945), wk = 0.0047847
k( 122) = ( 0.3673340 0.6326660 -0.3673340), wk = 0.0047847
k( 123) = ( 0.3673340 0.6326660 -0.3673340), wk = 0.0047847
k( 124) = ( 0.3443756 0.6243744 -0.3443756), wk = 0.0047847
k( 125) = ( 0.3214173 0.6160827 -0.3214173), wk = 0.0047847
k( 126) = ( 0.2984589 0.6077911 -0.2984589), wk = 0.0047847
k( 127) = ( 0.2755005 0.5994995 -0.2755005), wk = 0.0047847
k( 128) = ( 0.2525421 0.5912079 -0.2525421), wk = 0.0047847
k( 129) = ( 0.2295838 0.5829162 -0.2295838), wk = 0.0047847
k( 130) = ( 0.2066254 0.5746246 -0.2066254), wk = 0.0047847
k( 131) = ( 0.1836670 0.5663330 -0.1836670), wk = 0.0047847
k( 132) = ( 0.1607086 0.5580414 -0.1607086), wk = 0.0047847
k( 133) = ( 0.1377502 0.5497498 -0.1377503), wk = 0.0047847
k( 134) = ( 0.1147919 0.5414581 -0.1147919), wk = 0.0047847
k( 135) = ( 0.0918335 0.5331665 -0.0918335), wk = 0.0047847
k( 136) = ( 0.0688751 0.5248749 -0.0688751), wk = 0.0047847
k( 137) = ( 0.0459167 0.5165833 -0.0459168), wk = 0.0047847
k( 138) = ( 0.0229584 0.5082916 -0.0229584), wk = 0.0047847
k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847
k( 140) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847
k( 141) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0047847
k( 142) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0047847
k( 143) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0047847
k( 144) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0047847
k( 145) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0047847
k( 146) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0047847
k( 147) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0047847
k( 148) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0047847
k( 149) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0047847
k( 150) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0047847
k( 151) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0047847
k( 152) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0047847
k( 153) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0047847
k( 154) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0047847
k( 155) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0047847
k( 156) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0047847
k( 157) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0047847
k( 158) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0047847
k( 159) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847
k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847
k( 161) = ( 0.2631579 0.2631579 0.2244912), wk = 0.0047847
k( 162) = ( 0.2763158 0.2763158 0.1989823), wk = 0.0047847
k( 163) = ( 0.2894737 0.2894737 0.1734735), wk = 0.0047847
k( 164) = ( 0.3026316 0.3026316 0.1479646), wk = 0.0047847
k( 165) = ( 0.3157895 0.3157895 0.1224558), wk = 0.0047847
k( 166) = ( 0.3289474 0.3289474 0.0969469), wk = 0.0047847
k( 167) = ( 0.3421053 0.3421053 0.0714381), wk = 0.0047847
k( 168) = ( 0.3552632 0.3552632 0.0459293), wk = 0.0047847
k( 169) = ( 0.3684211 0.3684211 0.0204204), wk = 0.0047847
k( 170) = ( 0.3815789 0.3815789 -0.0050884), wk = 0.0047847
k( 171) = ( 0.3947368 0.3947368 -0.0305973), wk = 0.0047847
k( 172) = ( 0.4078947 0.4078947 -0.0561061), wk = 0.0047847
k( 173) = ( 0.4210526 0.4210526 -0.0816150), wk = 0.0047847
k( 174) = ( 0.4342105 0.4342105 -0.1071238), wk = 0.0047847
k( 175) = ( 0.4473684 0.4473684 -0.1326327), wk = 0.0047847
k( 176) = ( 0.4605263 0.4605263 -0.1581415), wk = 0.0047847
k( 177) = ( 0.4736842 0.4736842 -0.1836503), wk = 0.0047847
k( 178) = ( 0.4868421 0.4868421 -0.2091592), wk = 0.0047847
k( 179) = ( 0.5000000 0.5000000 -0.2346680), wk = 0.0047847
k( 180) = ( 0.5000000 0.5000000 -0.2346680), wk = 0.0047847
k( 181) = ( 0.5000000 0.5000000 -0.2523568), wk = 0.0047847
k( 182) = ( 0.5000000 0.5000000 -0.2700456), wk = 0.0047847
k( 183) = ( 0.5000000 0.5000000 -0.2877344), wk = 0.0047847
k( 184) = ( 0.5000000 0.5000000 -0.3054232), wk = 0.0047847
k( 185) = ( 0.5000000 0.5000000 -0.3231120), wk = 0.0047847
k( 186) = ( 0.5000000 0.5000000 -0.3408008), wk = 0.0047847
k( 187) = ( 0.5000000 0.5000000 -0.3584896), wk = 0.0047847
k( 188) = ( 0.5000000 0.5000000 -0.3761784), wk = 0.0047847
k( 189) = ( 0.5000000 0.5000000 -0.3938672), wk = 0.0047847
k( 190) = ( 0.5000000 0.5000000 -0.4115560), wk = 0.0047847
k( 191) = ( 0.5000000 0.5000000 -0.4292448), wk = 0.0047847
k( 192) = ( 0.5000000 0.5000000 -0.4469336), wk = 0.0047847
k( 193) = ( 0.5000000 0.5000000 -0.4646224), wk = 0.0047847
k( 194) = ( 0.5000000 0.5000000 -0.4823112), wk = 0.0047847
k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0047847
k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847
k( 197) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0047847
k( 198) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0047847
k( 199) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0047847
k( 200) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0047847
k( 201) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0047847
k( 202) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0047847
k( 203) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0047847
k( 204) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0047847
k( 205) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0047847
k( 206) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0047847
k( 207) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0047847
k( 208) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0047847
k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847
Dense grid: 412815 G-vectors FFT dimensions: ( 108, 108, 108)
Smooth grid: 270653 G-vectors FFT dimensions: ( 96, 96, 96)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 1.43 Mb ( 954, 98)
NL pseudopotentials 2.88 Mb ( 477, 396)
Each V/rho on FFT grid 0.36 Mb ( 23328)
Each G-vector array 0.04 Mb ( 5735)
G-vector shells 0.02 Mb ( 2719)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 5.71 Mb ( 954, 392)
Each subspace H/S matrix 0.06 Mb ( 65, 65)
Each <psi_i|beta_j> matrix 1.18 Mb ( 396, 2, 98)
The potential is recalculated from file :
./CsAuI3.save/charge-density.dat
Starting wfc are 104 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 10.7 secs
Computing kpt #: 2
total cpu time spent up to now is 18.1 secs
Computing kpt #: 3
total cpu time spent up to now is 25.4 secs
Computing kpt #: 4
total cpu time spent up to now is 32.5 secs
Computing kpt #: 5
total cpu time spent up to now is 39.9 secs
Computing kpt #: 6
total cpu time spent up to now is 47.1 secs
Computing kpt #: 7
total cpu time spent up to now is 54.5 secs
Computing kpt #: 8
total cpu time spent up to now is 61.6 secs
Computing kpt #: 9
total cpu time spent up to now is 68.8 secs
Computing kpt #: 10
total cpu time spent up to now is 76.0 secs
Computing kpt #: 11
total cpu time spent up to now is 83.3 secs
Computing kpt #: 12
total cpu time spent up to now is 90.6 secs
Computing kpt #: 13
total cpu time spent up to now is 98.7 secs
Computing kpt #: 14
total cpu time spent up to now is 106.3 secs
Computing kpt #: 15
total cpu time spent up to now is 114.1 secs
Computing kpt #: 16
total cpu time spent up to now is 121.6 secs
Computing kpt #: 17
total cpu time spent up to now is 129.2 secs
Computing kpt #: 18
total cpu time spent up to now is 137.9 secs
Computing kpt #: 19
total cpu time spent up to now is 146.7 secs
Computing kpt #: 20
total cpu time spent up to now is 156.3 secs
Computing kpt #: 21
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 170.8 secs
Computing kpt #: 22
total cpu time spent up to now is 183.1 secs
Computing kpt #: 23
total cpu time spent up to now is 196.1 secs
Computing kpt #: 24
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 210.8 secs
Computing kpt #: 25
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 225.8 secs
Computing kpt #: 26
total cpu time spent up to now is 236.9 secs
Computing kpt #: 27
total cpu time spent up to now is 249.2 secs
Computing kpt #: 28
total cpu time spent up to now is 258.3 secs
Computing kpt #: 29
total cpu time spent up to now is 267.5 secs
Computing kpt #: 30
total cpu time spent up to now is 276.9 secs
Computing kpt #: 31
total cpu time spent up to now is 286.2 secs
Computing kpt #: 32
total cpu time spent up to now is 297.4 secs
Computing kpt #: 33
total cpu time spent up to now is 307.6 secs
Computing kpt #: 34
total cpu time spent up to now is 318.1 secs
Computing kpt #: 35
total cpu time spent up to now is 328.6 secs
Computing kpt #: 36
total cpu time spent up to now is 339.5 secs
Computing kpt #: 37
total cpu time spent up to now is 351.4 secs
Computing kpt #: 38
total cpu time spent up to now is 364.6 secs
Computing kpt #: 39
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 379.2 secs
Computing kpt #: 40
total cpu time spent up to now is 390.3 secs
Computing kpt #: 41
total cpu time spent up to now is 402.0 secs
Computing kpt #: 42
total cpu time spent up to now is 415.7 secs
Computing kpt #: 43
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 429.6 secs
Computing kpt #: 44
total cpu time spent up to now is 442.9 secs
Computing kpt #: 45
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 458.3 secs
Computing kpt #: 46
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 472.6 secs
Computing kpt #: 47
total cpu time spent up to now is 486.1 secs
Computing kpt #: 48
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 501.3 secs
Computing kpt #: 49
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 516.1 secs
Computing kpt #: 50
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 530.7 secs
Computing kpt #: 51
total cpu time spent up to now is 544.4 secs
Computing kpt #: 52
total cpu time spent up to now is 556.7 secs
Computing kpt #: 53
total cpu time spent up to now is 567.9 secs
Computing kpt #: 54
total cpu time spent up to now is 578.8 secs
Computing kpt #: 55
total cpu time spent up to now is 589.5 secs
Computing kpt #: 56
total cpu time spent up to now is 598.9 secs
Computing kpt #: 57
total cpu time spent up to now is 608.2 secs
Computing kpt #: 58
total cpu time spent up to now is 617.6 secs
Computing kpt #: 59
total cpu time spent up to now is 626.7 secs
Computing kpt #: 60
total cpu time spent up to now is 634.7 secs
Computing kpt #: 61
total cpu time spent up to now is 642.4 secs
Computing kpt #: 62
total cpu time spent up to now is 650.1 secs
Computing kpt #: 63
total cpu time spent up to now is 657.3 secs
Computing kpt #: 64
total cpu time spent up to now is 664.7 secs
Computing kpt #: 65
total cpu time spent up to now is 672.1 secs
Computing kpt #: 66
total cpu time spent up to now is 679.2 secs
Computing kpt #: 67
total cpu time spent up to now is 686.9 secs
Computing kpt #: 68
total cpu time spent up to now is 694.4 secs
Computing kpt #: 69
total cpu time spent up to now is 701.6 secs
Computing kpt #: 70
total cpu time spent up to now is 709.2 secs
Computing kpt #: 71
total cpu time spent up to now is 716.0 secs
Computing kpt #: 72
total cpu time spent up to now is 723.1 secs
Computing kpt #: 73
total cpu time spent up to now is 730.2 secs
Computing kpt #: 74
total cpu time spent up to now is 737.4 secs
Computing kpt #: 75
total cpu time spent up to now is 744.5 secs
Computing kpt #: 76
total cpu time spent up to now is 752.1 secs
Computing kpt #: 77
total cpu time spent up to now is 759.7 secs
Computing kpt #: 78
total cpu time spent up to now is 767.1 secs
Computing kpt #: 79
total cpu time spent up to now is 774.6 secs
Computing kpt #: 80
total cpu time spent up to now is 781.9 secs
Computing kpt #: 81
total cpu time spent up to now is 789.3 secs
Computing kpt #: 82
total cpu time spent up to now is 796.3 secs
Computing kpt #: 83
total cpu time spent up to now is 803.9 secs
Computing kpt #: 84
total cpu time spent up to now is 811.3 secs
Computing kpt #: 85
total cpu time spent up to now is 819.1 secs
Computing kpt #: 86
total cpu time spent up to now is 826.8 secs
Computing kpt #: 87
total cpu time spent up to now is 834.5 secs
Computing kpt #: 88
total cpu time spent up to now is 842.0 secs
Computing kpt #: 89
total cpu time spent up to now is 849.7 secs
Computing kpt #: 90
total cpu time spent up to now is 857.3 secs
Computing kpt #: 91
total cpu time spent up to now is 865.1 secs
Computing kpt #: 92
total cpu time spent up to now is 872.4 secs
Computing kpt #: 93
total cpu time spent up to now is 879.9 secs
Computing kpt #: 94
total cpu time spent up to now is 887.1 secs
Computing kpt #: 95
total cpu time spent up to now is 894.2 secs
Computing kpt #: 96
total cpu time spent up to now is 901.5 secs
Computing kpt #: 97
total cpu time spent up to now is 909.2 secs
Computing kpt #: 98
total cpu time spent up to now is 917.0 secs
Computing kpt #: 99
total cpu time spent up to now is 924.6 secs
Computing kpt #: 100
total cpu time spent up to now is 932.4 secs
Computing kpt #: 101
total cpu time spent up to now is 940.4 secs
Computing kpt #: 102
total cpu time spent up to now is 948.9 secs
Computing kpt #: 103
total cpu time spent up to now is 957.4 secs
Computing kpt #: 104
total cpu time spent up to now is 966.2 secs
Computing kpt #: 105
total cpu time spent up to now is 976.5 secs
Computing kpt #: 106
total cpu time spent up to now is 987.6 secs
Computing kpt #: 107
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1001.1 secs
Computing kpt #: 108
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1014.7 secs
Computing kpt #: 109
total cpu time spent up to now is 1026.4 secs
Computing kpt #: 110
total cpu time spent up to now is 1039.5 secs
Computing kpt #: 111
total cpu time spent up to now is 1051.6 secs
Computing kpt #: 112
total cpu time spent up to now is 1065.0 secs
Computing kpt #: 113
total cpu time spent up to now is 1078.4 secs
Computing kpt #: 114
total cpu time spent up to now is 1091.1 secs
Computing kpt #: 115
total cpu time spent up to now is 1104.9 secs
Computing kpt #: 116
total cpu time spent up to now is 1116.1 secs
Computing kpt #: 117
total cpu time spent up to now is 1128.7 secs
Computing kpt #: 118
total cpu time spent up to now is 1140.9 secs
Computing kpt #: 119
total cpu time spent up to now is 1153.3 secs
Computing kpt #: 120
total cpu time spent up to now is 1165.6 secs
Computing kpt #: 121
total cpu time spent up to now is 1176.1 secs
Computing kpt #: 122
total cpu time spent up to now is 1185.4 secs
Computing kpt #: 123
total cpu time spent up to now is 1196.1 secs
Computing kpt #: 124
total cpu time spent up to now is 1206.5 secs
Computing kpt #: 125
total cpu time spent up to now is 1216.2 secs
Computing kpt #: 126
total cpu time spent up to now is 1225.2 secs
Computing kpt #: 127
total cpu time spent up to now is 1234.3 secs
Computing kpt #: 128
total cpu time spent up to now is 1243.8 secs
Computing kpt #: 129
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1258.0 secs
Computing kpt #: 130
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1271.7 secs
Computing kpt #: 131
total cpu time spent up to now is 1281.1 secs
Computing kpt #: 132
total cpu time spent up to now is 1290.8 secs
Computing kpt #: 133
total cpu time spent up to now is 1299.4 secs
Computing kpt #: 134
total cpu time spent up to now is 1308.5 secs
Computing kpt #: 135
total cpu time spent up to now is 1317.6 secs
Computing kpt #: 136
total cpu time spent up to now is 1326.5 secs
Computing kpt #: 137
total cpu time spent up to now is 1335.3 secs
Computing kpt #: 138
total cpu time spent up to now is 1343.8 secs
Computing kpt #: 139
total cpu time spent up to now is 1352.9 secs
Computing kpt #: 140
total cpu time spent up to now is 1362.1 secs
Computing kpt #: 141
total cpu time spent up to now is 1371.0 secs
Computing kpt #: 142
total cpu time spent up to now is 1379.9 secs
Computing kpt #: 143
total cpu time spent up to now is 1389.1 secs
Computing kpt #: 144
total cpu time spent up to now is 1398.7 secs
Computing kpt #: 145
total cpu time spent up to now is 1407.7 secs
Computing kpt #: 146
total cpu time spent up to now is 1417.0 secs
Computing kpt #: 147
total cpu time spent up to now is 1426.6 secs
Computing kpt #: 148
total cpu time spent up to now is 1436.1 secs
Computing kpt #: 149
total cpu time spent up to now is 1445.6 secs
Computing kpt #: 150
total cpu time spent up to now is 1456.6 secs
Computing kpt #: 151
total cpu time spent up to now is 1467.7 secs
Computing kpt #: 152
total cpu time spent up to now is 1477.2 secs
Computing kpt #: 153
total cpu time spent up to now is 1488.1 secs
Computing kpt #: 154
total cpu time spent up to now is 1497.6 secs
Computing kpt #: 155
total cpu time spent up to now is 1508.4 secs
Computing kpt #: 156
total cpu time spent up to now is 1521.0 secs
Computing kpt #: 157
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1535.3 secs
Computing kpt #: 158
total cpu time spent up to now is 1547.9 secs
Computing kpt #: 159
total cpu time spent up to now is 1558.7 secs
Computing kpt #: 160
total cpu time spent up to now is 1567.8 secs
Computing kpt #: 161
total cpu time spent up to now is 1578.1 secs
Computing kpt #: 162
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1594.9 secs
Computing kpt #: 163
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1609.0 secs
Computing kpt #: 164
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1623.1 secs
Computing kpt #: 165
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1639.1 secs
Computing kpt #: 166
total cpu time spent up to now is 1655.8 secs
Computing kpt #: 167
total cpu time spent up to now is 1672.6 secs
Computing kpt #: 168
total cpu time spent up to now is 1685.0 secs
Computing kpt #: 169
total cpu time spent up to now is 1696.6 secs
Computing kpt #: 170
total cpu time spent up to now is 1712.3 secs
Computing kpt #: 171
total cpu time spent up to now is 1723.8 secs
Computing kpt #: 172
total cpu time spent up to now is 1736.6 secs
Computing kpt #: 173
total cpu time spent up to now is 1750.6 secs
Computing kpt #: 174
total cpu time spent up to now is 1766.4 secs
Computing kpt #: 175
total cpu time spent up to now is 1778.8 secs
Computing kpt #: 176
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1793.0 secs
Computing kpt #: 177
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1807.3 secs
Computing kpt #: 178
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1822.1 secs
Computing kpt #: 179
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1836.5 secs
Computing kpt #: 180
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1850.6 secs
Computing kpt #: 181
total cpu time spent up to now is 1863.1 secs
Computing kpt #: 182
total cpu time spent up to now is 1875.1 secs
Computing kpt #: 183
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1889.9 secs
Computing kpt #: 184
total cpu time spent up to now is 1903.5 secs
Computing kpt #: 185
total cpu time spent up to now is 1914.8 secs
Computing kpt #: 186
total cpu time spent up to now is 1925.9 secs
Computing kpt #: 187
total cpu time spent up to now is 1937.6 secs
Computing kpt #: 188
total cpu time spent up to now is 1949.5 secs
Computing kpt #: 189
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1964.4 secs
Computing kpt #: 190
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1978.9 secs
Computing kpt #: 191
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1993.0 secs
Computing kpt #: 192
total cpu time spent up to now is 2005.0 secs
Computing kpt #: 193
total cpu time spent up to now is 2016.8 secs
Computing kpt #: 194
total cpu time spent up to now is 2029.1 secs
Computing kpt #: 195
total cpu time spent up to now is 2041.3 secs
Computing kpt #: 196
total cpu time spent up to now is 2050.8 secs
Computing kpt #: 197
total cpu time spent up to now is 2062.5 secs
Computing kpt #: 198
total cpu time spent up to now is 2072.9 secs
Computing kpt #: 199
total cpu time spent up to now is 2083.9 secs
Computing kpt #: 200
total cpu time spent up to now is 2093.4 secs
Computing kpt #: 201
total cpu time spent up to now is 2102.6 secs
Computing kpt #: 202
total cpu time spent up to now is 2112.2 secs
Computing kpt #: 203
total cpu time spent up to now is 2121.9 secs
Computing kpt #: 204
total cpu time spent up to now is 2131.7 secs
Computing kpt #: 205
total cpu time spent up to now is 2143.0 secs
Computing kpt #: 206
total cpu time spent up to now is 2156.1 secs
Computing kpt #: 207
total cpu time spent up to now is 2167.9 secs
Computing kpt #: 208
total cpu time spent up to now is 2177.5 secs
Computing kpt #: 209
total cpu time spent up to now is 2188.5 secs
ethr = 1.22E-08, avg # of iterations = 65.6
total cpu time spent up to now is 2188.5 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 33857 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4920 -8.4920 -7.8510 -7.8510
-7.8207 -7.8207 -7.7866 -7.7866 -7.7080 -7.7080 -7.6903 -7.6903
-4.3398 -4.3398 -4.3059 -4.3059 -2.9400 -2.9400 -2.9320 -2.9320
-2.8674 -2.8674 -2.8643 -2.8643 -1.6890 -1.6890 -1.5682 -1.5682
-1.0789 -1.0789 -0.6221 -0.6221 -0.4204 -0.4204 0.0276 0.0276
0.1473 0.1473 0.3624 0.3624 0.6577 0.6577 0.7701 0.7701
0.9774 0.9774 1.2243 1.2243 1.2425 1.2425 1.7734 1.7734
2.3640 2.3640 2.3848 2.3848 2.5227 2.5227 2.6720 2.6720
2.7434 2.7434 2.9304 2.9304 3.0073 3.0073 3.1084 3.1084
3.3396 3.3396 3.4046 3.4046 3.6274 3.6274 3.9276 3.9276
3.9607 3.9607 5.5990 5.5990 6.4667 6.4667 7.8518 7.8518
8.0230 8.0230 8.2136 8.2136 8.2989 8.2989 8.4749 8.4749
8.5344 8.5344
k = 0.0000 0.0000 0.0266 ( 33859 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4916 -8.4916 -7.8542 -7.8542
-7.8190 -7.8190 -7.7858 -7.7858 -7.7082 -7.7082 -7.6904 -7.6904
-4.3396 -4.3396 -4.3058 -4.3058 -2.9397 -2.9397 -2.9317 -2.9317
-2.8673 -2.8673 -2.8642 -2.8642 -1.6871 -1.6871 -1.5681 -1.5681
-1.0789 -1.0789 -0.6220 -0.6220 -0.4203 -0.4203 0.0270 0.0270
0.1459 0.1459 0.3621 0.3621 0.6555 0.6555 0.7681 0.7681
0.9780 0.9780 1.2254 1.2254 1.2440 1.2440 1.7746 1.7746
2.3613 2.3613 2.3852 2.3852 2.5231 2.5231 2.6717 2.6717
2.7419 2.7419 2.9317 2.9317 3.0068 3.0068 3.1079 3.1079
3.3385 3.3385 3.4058 3.4058 3.6295 3.6295 3.9265 3.9265
3.9589 3.9589 5.5919 5.5919 6.4659 6.4659 7.8550 7.8550
8.0269 8.0269 8.2158 8.2158 8.3006 8.3006 8.4804 8.4804
8.5377 8.5377
k = 0.0000 0.0000 0.0532 ( 33861 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4902 -8.4902 -7.8618 -7.8618
-7.8155 -7.8155 -7.7833 -7.7833 -7.7087 -7.7087 -7.6905 -7.6905
-4.3391 -4.3391 -4.3057 -4.3057 -2.9388 -2.9388 -2.9309 -2.9309
-2.8670 -2.8670 -2.8639 -2.8639 -1.6816 -1.6816 -1.5678 -1.5678
-1.0789 -1.0789 -0.6215 -0.6215 -0.4202 -0.4202 0.0250 0.0250
0.1421 0.1421 0.3613 0.3613 0.6490 0.6490 0.7629 0.7629
0.9800 0.9800 1.2277 1.2277 1.2488 1.2488 1.7782 1.7782
2.3543 2.3543 2.3858 2.3858 2.5241 2.5241 2.6710 2.6710
2.7377 2.7377 2.9354 2.9354 3.0054 3.0054 3.1064 3.1064
3.3353 3.3353 3.4091 3.4091 3.6359 3.6359 3.9231 3.9231
3.9538 3.9538 5.5709 5.5709 6.4638 6.4638 7.8649 7.8649
8.0384 8.0384 8.2225 8.2225 8.3060 8.3060 8.4959 8.4959
8.5475 8.5475
k = 0.0000 0.0000 0.0798 ( 33845 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4879 -8.4879 -7.8718 -7.8718
-7.8124 -7.8124 -7.7791 -7.7791 -7.7095 -7.7095 -7.6908 -7.6908
-4.3384 -4.3384 -4.3054 -4.3054 -2.9372 -2.9372 -2.9297 -2.9297
-2.8666 -2.8666 -2.8635 -2.8635 -1.6727 -1.6727 -1.5672 -1.5672
-1.0790 -1.0790 -0.6208 -0.6208 -0.4201 -0.4201 0.0214 0.0214
0.1357 0.1357 0.3603 0.3603 0.6378 0.6378 0.7566 0.7566
0.9833 0.9833 1.2295 1.2295 1.2574 1.2574 1.7838 1.7838
2.3442 2.3442 2.3857 2.3857 2.5251 2.5251 2.6699 2.6699
2.7313 2.7313 2.9399 2.9399 3.0035 3.0035 3.1039 3.1039
3.3300 3.3300 3.4139 3.4139 3.6468 3.6468 3.9169 3.9169
3.9462 3.9462 5.5369 5.5369 6.4610 6.4610 7.8816 7.8816
8.0572 8.0572 8.2339 8.2339 8.3162 8.3162 8.5194 8.5194
8.5638 8.5638
k = 0.0000 0.0000 0.1065 ( 33841 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4848 -8.4848 -7.8829 -7.8829
-7.8104 -7.8104 -7.7738 -7.7738 -7.7105 -7.7105 -7.6912 -7.6912
-4.3373 -4.3373 -4.3050 -4.3050 -2.9352 -2.9352 -2.9279 -2.9279
-2.8660 -2.8660 -2.8629 -2.8629 -1.6611 -1.6611 -1.5658 -1.5658
-1.0791 -1.0791 -0.6198 -0.6198 -0.4197 -0.4197 0.0159 0.0159
0.1272 0.1272 0.3591 0.3591 0.6221 0.6221 0.7513 0.7513
0.9881 0.9881 1.2305 1.2305 1.2683 1.2683 1.7911 1.7911
2.3320 2.3320 2.3846 2.3846 2.5255 2.5255 2.6682 2.6682
2.7235 2.7235 2.9436 2.9436 3.0016 3.0016 3.1006 3.1006
3.3230 3.3230 3.4193 3.4193 3.6623 3.6623 3.9067 3.9067
3.9379 3.9379 5.4911 5.4911 6.4586 6.4586 7.9053 7.9053
8.0826 8.0826 8.2502 8.2502 8.3320 8.3320 8.5485 8.5485
8.5865 8.5865
k = 0.0000 0.0000 0.1331 ( 33835 PWs) bands (ev):
-15.5455 -15.5455 -15.5415 -15.5415 -8.4808 -8.4808 -7.8947 -7.8947
-7.8093 -7.8093 -7.7679 -7.7679 -7.7118 -7.7118 -7.6916 -7.6916
-4.3359 -4.3359 -4.3045 -4.3045 -2.9326 -2.9326 -2.9256 -2.9256
-2.8652 -2.8652 -2.8621 -2.8621 -1.6478 -1.6478 -1.5629 -1.5629
-1.0792 -1.0792 -0.6187 -0.6187 -0.4192 -0.4192 0.0080 0.0080
0.1170 0.1170 0.3581 0.3581 0.6034 0.6034 0.7479 0.7479
0.9943 0.9943 1.2310 1.2310 1.2800 1.2800 1.7997 1.7997
2.3182 2.3182 2.3825 2.3825 2.5248 2.5248 2.6662 2.6662
2.7149 2.7149 2.9444 2.9444 3.0004 3.0004 3.0964 3.0964
3.3143 3.3143 3.4244 3.4244 3.6815 3.6815 3.8916 3.8916
3.9309 3.9309 5.4358 5.4358 6.4575 6.4575 7.9362 7.9362
8.1141 8.1141 8.2715 8.2715 8.3537 8.3537 8.5821 8.5821
8.6154 8.6154
k = 0.0000 0.0000 0.1597 ( 33853 PWs) bands (ev):
-15.5455 -15.5455 -15.5415 -15.5415 -8.4760 -8.4760 -7.9069 -7.9069
-7.8089 -7.8089 -7.7621 -7.7621 -7.7131 -7.7131 -7.6921 -7.6921
-4.3343 -4.3343 -4.3039 -4.3039 -2.9296 -2.9296 -2.9228 -2.9228
-2.8643 -2.8643 -2.8611 -2.8611 -1.6348 -1.6348 -1.5571 -1.5571
-1.0795 -1.0795 -0.6176 -0.6176 -0.4184 -0.4184 -0.0030 -0.0030
0.1063 0.1063 0.3577 0.3577 0.5835 0.5835 0.7466 0.7466
1.0017 1.0017 1.2313 1.2313 1.2912 1.2912 1.8090 1.8090
2.3033 2.3033 2.3795 2.3795 2.5226 2.5226 2.6637 2.6637
2.7056 2.7056 2.9414 2.9414 3.0002 3.0002 3.0915 3.0915
3.3041 3.3041 3.4283 3.4283 3.7027 3.7027 3.8719 3.8719
3.9261 3.9261 5.3742 5.3742 6.4587 6.4587 7.9742 7.9742
8.1512 8.1512 8.2980 8.2980 8.3815 8.3815 8.6196 8.6196
8.6505 8.6505
k = 0.0000 0.0000 0.1863 ( 33865 PWs) bands (ev):
-15.5454 -15.5454 -15.5416 -15.5416 -8.4704 -8.4704 -7.9193 -7.9193
-7.8089 -7.8089 -7.7567 -7.7567 -7.7144 -7.7144 -7.6927 -7.6927
-4.3325 -4.3325 -4.3032 -4.3032 -2.9262 -2.9262 -2.9194 -2.9194
-2.8633 -2.8633 -2.8600 -2.8600 -1.6242 -1.6242 -1.5465 -1.5465
-1.0798 -1.0798 -0.6166 -0.6166 -0.4171 -0.4171 -0.0173 -0.0173
0.0958 0.0958 0.3582 0.3582 0.5641 0.5641 0.7469 0.7469
1.0102 1.0102 1.2315 1.2315 1.3013 1.3013 1.8184 1.8184
2.2877 2.2877 2.3758 2.3758 2.5186 2.5186 2.6607 2.6607
2.6961 2.6961 2.9343 2.9343 3.0007 3.0007 3.0860 3.0860
3.2928 3.2928 3.4303 3.4303 3.7224 3.7224 3.8483 3.8483
3.9243 3.9243 5.3104 5.3104 6.4630 6.4630 8.0188 8.0188
8.1932 8.1932 8.3295 8.3295 8.4153 8.4153 8.6605 8.6605
8.6915 8.6915
k = 0.0000 0.0000 0.2129 ( 33885 PWs) bands (ev):
-15.5453 -15.5453 -15.5416 -15.5416 -8.4642 -8.4642 -7.9318 -7.9318
-7.8092 -7.8092 -7.7523 -7.7523 -7.7154 -7.7154 -7.6934 -7.6934
-4.3304 -4.3304 -4.3024 -4.3024 -2.9225 -2.9225 -2.9156 -2.9156
-2.8622 -2.8622 -2.8588 -2.8588 -1.6179 -1.6179 -1.5300 -1.5300
-1.0802 -1.0802 -0.6159 -0.6159 -0.4153 -0.4153 -0.0346 -0.0346
0.0865 0.0865 0.3596 0.3596 0.5465 0.5465 0.7484 0.7484
1.0197 1.0197 1.2316 1.2316 1.3100 1.3100 1.8276 1.8276
2.2715 2.2715 2.3713 2.3713 2.5127 2.5127 2.6571 2.6571
2.6862 2.6862 2.9239 2.9239 3.0009 3.0009 3.0801 3.0801
3.2806 3.2806 3.4303 3.4303 3.7362 3.7362 3.8219 3.8219
3.9258 3.9258 5.2492 5.2492 6.4711 6.4711 8.0692 8.0692
8.2398 8.2398 8.3656 8.3656 8.4547 8.4547 8.7048 8.7048
8.7382 8.7382
k = 0.0000 0.0000 0.2395 ( 33885 PWs) bands (ev):
-15.5452 -15.5452 -15.5417 -15.5417 -8.4573 -8.4573 -7.9443 -7.9443
-7.8097 -7.8097 -7.7494 -7.7494 -7.7156 -7.7156 -7.6942 -7.6942
-4.3281 -4.3281 -4.3016 -4.3016 -2.9186 -2.9186 -2.9112 -2.9112
-2.8609 -2.8609 -2.8575 -2.8575 -1.6157 -1.6157 -1.5085 -1.5085
-1.0808 -1.0808 -0.6157 -0.6157 -0.4128 -0.4128 -0.0536 -0.0536
0.0787 0.0787 0.3622 0.3622 0.5313 0.5313 0.7510 0.7510
1.0298 1.0298 1.2317 1.2317 1.3174 1.3174 1.8362 1.8362
2.2551 2.2551 2.3661 2.3661 2.5052 2.5052 2.6525 2.6525
2.6763 2.6763 2.9109 2.9109 3.0001 3.0001 3.0739 3.0739
3.2680 3.2680 3.4281 3.4281 3.7403 3.7403 3.7934 3.7934
3.9292 3.9292 5.1965 5.1965 6.4835 6.4835 8.1244 8.1244
8.2907 8.2907 8.4062 8.4062 8.4996 8.4996 8.7517 8.7517
8.7902 8.7902
k = 0.0000 0.0000 0.2661 ( 33871 PWs) bands (ev):
-15.5451 -15.5451 -15.5418 -15.5418 -8.4499 -8.4499 -7.9565 -7.9565
-7.8104 -7.8104 -7.7482 -7.7482 -7.7149 -7.7149 -7.6949 -7.6949
-4.3257 -4.3257 -4.3007 -4.3007 -2.9146 -2.9146 -2.9064 -2.9064
-2.8596 -2.8596 -2.8560 -2.8560 -1.6163 -1.6163 -1.4839 -1.4839
-1.0815 -1.0815 -0.6164 -0.6164 -0.4095 -0.4095 -0.0726 -0.0726
0.0723 0.0723 0.3660 0.3660 0.5188 0.5188 0.7544 0.7544
1.0404 1.0404 1.2318 1.2318 1.3234 1.3234 1.8440 1.8440
2.2387 2.2387 2.3603 2.3603 2.4961 2.4961 2.6458 2.6458
2.6671 2.6671 2.8959 2.8959 2.9978 2.9978 3.0676 3.0676
3.2553 3.2553 3.4236 3.4236 3.7330 3.7330 3.7633 3.7633
3.9312 3.9312 5.1581 5.1581 6.5011 6.5011 8.1828 8.1828
8.3457 8.3457 8.4506 8.4506 8.5496 8.5496 8.8000 8.8000
8.8473 8.8473
k = 0.0000 0.0000 0.2927 ( 33851 PWs) bands (ev):
-15.5450 -15.5450 -15.5418 -15.5418 -8.4421 -8.4421 -7.9684 -7.9684
-7.8112 -7.8112 -7.7488 -7.7488 -7.7131 -7.7131 -7.6957 -7.6957
-4.3231 -4.3231 -4.2998 -4.2998 -2.9104 -2.9104 -2.9013 -2.9013
-2.8582 -2.8582 -2.8545 -2.8545 -1.6190 -1.6190 -1.4579 -1.4579
-1.0824 -1.0824 -0.6182 -0.6182 -0.4055 -0.4055 -0.0894 -0.0894
0.0671 0.0671 0.3709 0.3709 0.5094 0.5094 0.7584 0.7584
1.0513 1.0513 1.2319 1.2319 1.3284 1.3284 1.8507 1.8507
2.2224 2.2224 2.3538 2.3538 2.4859 2.4859 2.6356 2.6356
2.6596 2.6596 2.8794 2.8794 2.9936 2.9936 3.0614 3.0614
3.2431 3.2431 3.4167 3.4167 3.7139 3.7139 3.7319 3.7319
3.9280 3.9280 5.1386 5.1386 6.5245 6.5245 8.2425 8.2425
8.4044 8.4044 8.4988 8.4988 8.6041 8.6041 8.8462 8.8462
8.9091 8.9091
k = 0.0000 0.0000 0.3194 ( 33853 PWs) bands (ev):
-15.5449 -15.5449 -15.5419 -15.5419 -8.4339 -8.4339 -7.9800 -7.9800
-7.8121 -7.8121 -7.7510 -7.7510 -7.7106 -7.7106 -7.6965 -7.6965
-4.3205 -4.3205 -4.2989 -4.2989 -2.9062 -2.9062 -2.8958 -2.8958
-2.8568 -2.8568 -2.8530 -2.8530 -1.6232 -1.6232 -1.4319 -1.4319
-1.0834 -1.0834 -0.6211 -0.6211 -0.4009 -0.4009 -0.1023 -0.1023
0.0630 0.0630 0.3768 0.3768 0.5031 0.5031 0.7628 0.7628
1.0623 1.0623 1.2320 1.2320 1.3324 1.3324 1.8563 1.8563
2.2064 2.2064 2.3467 2.3467 2.4748 2.4748 2.6211 2.6211
2.6539 2.6539 2.8617 2.8617 2.9874 2.9874 3.0551 3.0551
3.2318 3.2318 3.4071 3.4071 3.6806 3.6806 3.7016 3.7016
3.9184 3.9184 5.1401 5.1401 6.5546 6.5546 8.3010 8.3010
8.4666 8.4666 8.5507 8.5507 8.6623 8.6623 8.8793 8.8793
8.9733 8.9733
k = 0.0000 0.0000 0.3460 ( 33857 PWs) bands (ev):
-15.5448 -15.5448 -15.5420 -15.5420 -8.4254 -8.4254 -7.9910 -7.9910
-7.8131 -7.8131 -7.7542 -7.7542 -7.7078 -7.7078 -7.6972 -7.6972
-4.3178 -4.3178 -4.2979 -4.2979 -2.9019 -2.9019 -2.8901 -2.8901
-2.8554 -2.8554 -2.8514 -2.8514 -1.6285 -1.6285 -1.4070 -1.4070
-1.0846 -1.0846 -0.6253 -0.6253 -0.3963 -0.3963 -0.1095 -0.1095
0.0599 0.0599 0.3833 0.3833 0.5003 0.5003 0.7677 0.7677
1.0732 1.0732 1.2322 1.2322 1.3357 1.3357 1.8607 1.8607
2.1909 2.1909 2.3390 2.3390 2.4632 2.4632 2.6026 2.6026
2.6494 2.6494 2.8431 2.8431 2.9793 2.9793 3.0489 3.0489
3.2217 3.2217 3.3942 3.3942 3.6326 3.6326 3.6739 3.6739
3.9044 3.9044 5.1615 5.1615 6.5923 6.5923 8.3554 8.3554
8.5312 8.5312 8.6070 8.6070 8.7224 8.7224 8.8869 8.8869
9.0076 9.0076
k = 0.0000 0.0000 0.3726 ( 33844 PWs) bands (ev):
-15.5447 -15.5447 -15.5421 -15.5421 -8.4169 -8.4169 -8.0014 -8.0014
-7.8142 -7.8142 -7.7583 -7.7583 -7.7051 -7.7051 -7.6978 -7.6978
-4.3150 -4.3150 -4.2970 -4.2970 -2.8976 -2.8976 -2.8844 -2.8844
-2.8540 -2.8540 -2.8498 -2.8498 -1.6348 -1.6348 -1.3841 -1.3841
-1.0858 -1.0858 -0.6305 -0.6305 -0.3923 -0.3923 -0.1100 -0.1100
0.0580 0.0580 0.3902 0.3902 0.5016 0.5016 0.7730 0.7730
1.0839 1.0839 1.2324 1.2324 1.3384 1.3384 1.8640 1.8640
2.1760 2.1760 2.3307 2.3307 2.4513 2.4513 2.5798 2.5798
2.6455 2.6455 2.8237 2.8237 2.9694 2.9694 3.0426 3.0426
3.2132 3.2132 3.3766 3.3766 3.5733 3.5733 3.6478 3.6478
3.8890 3.8890 5.1988 5.1988 6.6389 6.6389 8.4031 8.4031
8.5954 8.5954 8.6692 8.6692 8.7787 8.7787 8.8886 8.8886
9.0569 9.0569
k = 0.0000 0.0000 0.3992 ( 33830 PWs) bands (ev):
-15.5446 -15.5446 -15.5422 -15.5422 -8.4083 -8.4083 -8.0110 -8.0110
-7.8153 -7.8153 -7.7628 -7.7628 -7.7029 -7.7029 -7.6978 -7.6978
-4.3123 -4.3123 -4.2960 -4.2960 -2.8933 -2.8933 -2.8786 -2.8786
-2.8526 -2.8526 -2.8483 -2.8483 -1.6418 -1.6418 -1.3637 -1.3637
-1.0871 -1.0871 -0.6365 -0.6365 -0.3894 -0.3894 -0.1037 -0.1037
0.0578 0.0578 0.3967 0.3967 0.5077 0.5077 0.7786 0.7786
1.0943 1.0943 1.2326 1.2326 1.3407 1.3407 1.8661 1.8661
2.1619 2.1619 2.3218 2.3218 2.4395 2.4395 2.5521 2.5521
2.6420 2.6420 2.8036 2.8036 2.9581 2.9581 3.0361 3.0361
3.2062 3.2062 3.3516 3.3516 3.5095 3.5095 3.6237 3.6237
3.8744 3.8744 5.2469 5.2469 6.6951 6.6951 8.4421 8.4421
8.6550 8.6550 8.7388 8.7388 8.8168 8.8168 8.9142 8.9142
9.1113 9.1113
k = 0.0000 0.0000 0.4258 ( 33822 PWs) bands (ev):
-15.5445 -15.5445 -15.5422 -15.5422 -8.3999 -8.3999 -8.0199 -8.0199
-7.8165 -7.8165 -7.7677 -7.7677 -7.7021 -7.7021 -7.6965 -7.6965
-4.3097 -4.3097 -4.2951 -4.2951 -2.8891 -2.8891 -2.8729 -2.8729
-2.8513 -2.8513 -2.8468 -2.8468 -1.6495 -1.6495 -1.3463 -1.3463
-1.0882 -1.0882 -0.6429 -0.6429 -0.3878 -0.3878 -0.0918 -0.0918
0.0598 0.0598 0.4025 0.4025 0.5196 0.5196 0.7845 0.7845
1.1041 1.1041 1.2328 1.2328 1.3426 1.3426 1.8673 1.8673
2.1488 2.1488 2.3125 2.3125 2.4282 2.4282 2.5181 2.5181
2.6387 2.6387 2.7827 2.7827 2.9458 2.9458 3.0293 3.0293
3.2005 3.2005 3.3139 3.3139 3.4515 3.4515 3.6021 3.6021
3.8616 3.8616 5.3006 5.3006 6.7619 6.7619 8.4710 8.4710
8.7051 8.7051 8.8132 8.8132 8.8396 8.8396 8.9702 8.9702
9.1661 9.1661
k = 0.0000 0.0000 0.4524 ( 33838 PWs) bands (ev):
-15.5444 -15.5444 -15.5423 -15.5423 -8.3918 -8.3918 -8.0279 -8.0279
-7.8177 -7.8177 -7.7726 -7.7726 -7.7024 -7.7024 -7.6945 -7.6945
-4.3071 -4.3071 -4.2942 -4.2942 -2.8850 -2.8850 -2.8673 -2.8673
-2.8501 -2.8501 -2.8453 -2.8453 -1.6577 -1.6577 -1.3321 -1.3321
-1.0891 -1.0891 -0.6492 -0.6492 -0.3874 -0.3874 -0.0766 -0.0766
0.0651 0.0651 0.4072 0.4072 0.5381 0.5381 0.7907 0.7907
1.1133 1.1133 1.2330 1.2330 1.3442 1.3442 1.8676 1.8676
2.1368 2.1368 2.3027 2.3027 2.4174 2.4174 2.4765 2.4765
2.6358 2.6358 2.7612 2.7612 2.9329 2.9329 3.0220 3.0220
3.1942 3.1942 3.2625 3.2625 3.4082 3.4082 3.5833 3.5833
3.8507 3.8507 5.3554 5.3554 6.8398 6.8398 8.4901 8.4901
8.7415 8.7415 8.8563 8.8563 8.9032 8.9032 9.0385 9.0385
9.2191 9.2191
k = 0.0000 0.0000 0.4790 ( 33834 PWs) bands (ev):
-15.5443 -15.5443 -15.5424 -15.5424 -8.3840 -8.3840 -8.0351 -8.0351
-7.8190 -7.8190 -7.7776 -7.7776 -7.7029 -7.7029 -7.6924 -7.6924
-4.3046 -4.3046 -4.2934 -4.2934 -2.8811 -2.8811 -2.8620 -2.8620
-2.8490 -2.8490 -2.8439 -2.8439 -1.6662 -1.6662 -1.3209 -1.3209
-1.0897 -1.0897 -0.6552 -0.6552 -0.3880 -0.3880 -0.0613 -0.0613
0.0748 0.0748 0.4108 0.4108 0.5637 0.5637 0.7976 0.7976
1.1218 1.1218 1.2331 1.2331 1.3454 1.3454 1.8670 1.8670
2.1259 2.1259 2.2923 2.2923 2.4075 2.4075 2.4258 2.4258
2.6332 2.6332 2.7391 2.7391 2.9198 2.9198 3.0144 3.0144
3.1746 3.1746 3.2175 3.2175 3.3776 3.3776 3.5672 3.5672
3.8415 3.8415 5.4080 5.4080 6.9285 6.9285 8.5006 8.5006
8.7642 8.7642 8.8910 8.8910 8.9885 8.9885 9.1100 9.1100
9.2686 9.2686
k = 0.0000 0.0000 0.5057 ( 33846 PWs) bands (ev):
-15.5442 -15.5442 -15.5424 -15.5424 -8.3768 -8.3768 -8.0412 -8.0412
-7.8204 -7.8204 -7.7825 -7.7825 -7.7035 -7.7035 -7.6903 -7.6903
-4.3023 -4.3023 -4.2927 -4.2927 -2.8773 -2.8773 -2.8569 -2.8569
-2.8480 -2.8480 -2.8426 -2.8426 -1.6747 -1.6747 -1.3126 -1.3126
-1.0901 -1.0901 -0.6606 -0.6606 -0.3892 -0.3892 -0.0486 -0.0486
0.0892 0.0892 0.4137 0.4137 0.5964 0.5964 0.8055 0.8055
1.1296 1.1296 1.2331 1.2331 1.3463 1.3463 1.8659 1.8659
2.1161 2.1161 2.2807 2.2807 2.3658 2.3658 2.3987 2.3987
2.6309 2.6309 2.7169 2.7169 2.9068 2.9068 3.0065 3.0065
3.1253 3.1253 3.2059 3.2059 3.3540 3.3540 3.5536 3.5536
3.8338 3.8338 5.4562 5.4562 7.0272 7.0272 8.5048 8.5048
8.7792 8.7792 8.9277 8.9277 9.0759 9.0759 9.1812 9.1812
9.3133 9.3133
k = 0.0000 0.0000 0.5323 ( 33854 PWs) bands (ev):
-15.5441 -15.5441 -15.5425 -15.5425 -8.3702 -8.3702 -8.0465 -8.0465
-7.8219 -7.8219 -7.7870 -7.7870 -7.7041 -7.7041 -7.6885 -7.6885
-4.3001 -4.3001 -4.2920 -4.2920 -2.8739 -2.8739 -2.8523 -2.8523
-2.8472 -2.8472 -2.8415 -2.8415 -1.6831 -1.6831 -1.3067 -1.3067
-1.0901 -1.0901 -0.6654 -0.6654 -0.3907 -0.3907 -0.0397 -0.0397
0.1074 0.1074 0.4160 0.4160 0.6354 0.6354 0.8154 0.8154
1.1366 1.1366 1.2330 1.2330 1.3467 1.3467 1.8642 1.8642
2.1072 2.1072 2.2616 2.2616 2.3033 2.3033 2.3909 2.3909
2.6287 2.6287 2.6953 2.6953 2.8943 2.8943 2.9985 2.9985
3.0752 3.0752 3.2046 3.2046 3.3342 3.3342 3.5423 3.5423
3.8273 3.8273 5.4986 5.4986 7.1341 7.1341 8.5054 8.5054
8.7904 8.7904 8.9586 8.9586 9.1632 9.1632 9.2495 9.2495
9.3468 9.3469
k = 0.0000 0.0000 0.5589 ( 33838 PWs) bands (ev):
-15.5440 -15.5440 -15.5426 -15.5426 -8.3643 -8.3643 -8.0508 -8.0508
-7.8235 -7.8235 -7.7911 -7.7911 -7.7047 -7.7047 -7.6869 -7.6869
-4.2982 -4.2982 -4.2914 -4.2914 -2.8707 -2.8707 -2.8482 -2.8482
-2.8465 -2.8465 -2.8404 -2.8404 -1.6910 -1.6910 -1.3028 -1.3028
-1.0900 -1.0900 -0.6695 -0.6695 -0.3922 -0.3922 -0.0341 -0.0341
0.1269 0.1269 0.4179 0.4179 0.6781 0.6781 0.8298 0.8298
1.1428 1.1428 1.2325 1.2325 1.3465 1.3465 1.8621 1.8621
2.0981 2.0981 2.2032 2.2032 2.2733 2.2733 2.3844 2.3844
2.6266 2.6266 2.6753 2.6753 2.8824 2.8824 2.9904 2.9904
3.0343 3.0343 3.2056 3.2056 3.3170 3.3170 3.5331 3.5331
3.8219 3.8219 5.5347 5.5347 7.2465 7.2465 8.5044 8.5044
8.7994 8.7994 8.9779 8.9779 9.2485 9.2485 9.3117 9.3117
9.3612 9.3612
k = 0.0000 0.0000 0.5855 ( 33856 PWs) bands (ev):
-15.5440 -15.5440 -15.5426 -15.5426 -8.3592 -8.3592 -8.0543 -8.0543
-7.8250 -7.8250 -7.7946 -7.7946 -7.7052 -7.7052 -7.6856 -7.6856
-4.2965 -4.2965 -4.2910 -4.2910 -2.8679 -2.8679 -2.8459 -2.8459
-2.8446 -2.8446 -2.8394 -2.8394 -1.6983 -1.6983 -1.3003 -1.3003
-1.0897 -1.0897 -0.6728 -0.6728 -0.3937 -0.3937 -0.0311 -0.0311
0.1456 0.1456 0.4195 0.4195 0.7184 0.7184 0.8535 0.8535
1.1481 1.1481 1.2314 1.2314 1.3453 1.3453 1.8596 1.8596
2.0809 2.0809 2.1313 2.1313 2.2619 2.2619 2.3790 2.3790
2.6242 2.6242 2.6581 2.6581 2.8714 2.8714 2.9823 2.9823
3.0038 3.0038 3.2078 3.2078 3.3021 3.3021 3.5256 3.5256
3.8175 3.8175 5.5644 5.5644 7.3607 7.3607 8.5038 8.5038
8.8065 8.8065 8.9813 8.9813 9.3296 9.3296 9.3544 9.3544
9.3872 9.3872
k = 0.0000 0.0000 0.6121 ( 33838 PWs) bands (ev):
-15.5439 -15.5439 -15.5426 -15.5426 -8.3550 -8.3550 -8.0569 -8.0569
-7.8266 -7.8266 -7.7974 -7.7974 -7.7056 -7.7056 -7.6845 -7.6845
-4.2950 -4.2950 -4.2906 -4.2906 -2.8654 -2.8654 -2.8455 -2.8455
-2.8418 -2.8418 -2.8385 -2.8385 -1.7046 -1.7046 -1.2989 -1.2989
-1.0894 -1.0894 -0.6754 -0.6754 -0.3950 -0.3950 -0.0295 -0.0295
0.1619 0.1619 0.4209 0.4209 0.7483 0.7483 0.8925 0.8925
1.1526 1.1526 1.2293 1.2293 1.3429 1.3429 1.8565 1.8565
2.0201 2.0201 2.1019 2.1019 2.2538 2.2538 2.3747 2.3747
2.6203 2.6203 2.6451 2.6451 2.8615 2.8615 2.9734 2.9734
2.9834 2.9834 3.2106 3.2106 3.2893 3.2893 3.5197 3.5197
3.8141 3.8141 5.5880 5.5880 7.4717 7.4717 8.5050 8.5050
8.8120 8.8120 8.9670 8.9670 9.3688 9.3688 9.4026 9.4026
9.4332 9.4332
k = 0.0000 0.0000 0.6387 ( 33838 PWs) bands (ev):
-15.5439 -15.5439 -15.5427 -15.5427 -8.3517 -8.3517 -8.0589 -8.0589
-7.8280 -7.8280 -7.7996 -7.7996 -7.7060 -7.7060 -7.6836 -7.6836
-4.2938 -4.2938 -4.2904 -4.2904 -2.8634 -2.8634 -2.8453 -2.8453
-2.8398 -2.8398 -2.8375 -2.8375 -1.7098 -1.7098 -1.2981 -1.2981
-1.0890 -1.0890 -0.6774 -0.6774 -0.3960 -0.3960 -0.0287 -0.0287
0.1748 0.1748 0.4220 0.4220 0.7660 0.7660 0.9449 0.9449
1.1563 1.1563 1.2255 1.2255 1.3389 1.3389 1.8514 1.8514
1.9454 1.9454 2.0949 2.0949 2.2475 2.2475 2.3716 2.3716
2.6144 2.6144 2.6375 2.6375 2.8532 2.8532 2.9625 2.9625
2.9731 2.9731 3.2137 3.2137 3.2787 3.2787 3.5153 3.5153
3.8114 3.8114 5.6058 5.6058 7.5727 7.5727 8.5092 8.5092
8.8159 8.8159 8.9376 8.9376 9.3766 9.3766 9.4488 9.4488
9.4751 9.4753
k = 0.0000 0.0000 0.6653 ( 33838 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3493 -8.3493 -8.0602 -8.0602
-7.8291 -7.8291 -7.8012 -7.8012 -7.7062 -7.7062 -7.6830 -7.6830
-4.2929 -4.2929 -4.2903 -4.2903 -2.8619 -2.8619 -2.8452 -2.8452
-2.8387 -2.8387 -2.8364 -2.8364 -1.7136 -1.7136 -1.2977 -1.2977
-1.0888 -1.0888 -0.6788 -0.6788 -0.3968 -0.3968 -0.0284 -0.0284
0.1840 0.1840 0.4229 0.4229 0.7754 0.7754 1.0010 1.0010
1.1593 1.1593 1.2192 1.2192 1.3336 1.3336 1.8377 1.8377
1.8902 1.8902 2.0916 2.0916 2.2429 2.2429 2.3694 2.3694
2.6080 2.6080 2.6341 2.6341 2.8470 2.8470 2.9538 2.9538
2.9676 2.9676 3.2167 3.2167 3.2704 3.2704 3.5122 3.5122
3.8096 3.8096 5.6183 5.6183 7.6556 7.6556 8.5163 8.5163
8.8185 8.8185 8.9005 8.9005 9.3819 9.3819 9.4646 9.4646
9.5082 9.5083
k = 0.0000 0.0000 0.6920 ( 33806 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3478 -8.3478 -8.0610 -8.0610
-7.8298 -7.8298 -7.8021 -7.8021 -7.7064 -7.7064 -7.6827 -7.6827
-4.2923 -4.2923 -4.2903 -4.2903 -2.8610 -2.8610 -2.8451 -2.8451
-2.8383 -2.8383 -2.8355 -2.8355 -1.7160 -1.7160 -1.2976 -1.2976
-1.0886 -1.0886 -0.6796 -0.6796 -0.3973 -0.3973 -0.0283 -0.0283
0.1895 0.1895 0.4234 0.4234 0.7801 0.7801 1.0475 1.0475
1.1618 1.1618 1.2102 1.2102 1.3283 1.3283 1.8098 1.8098
1.8709 1.8709 2.0899 2.0899 2.2401 2.2401 2.3681 2.3681
2.6034 2.6034 2.6327 2.6327 2.8431 2.8431 2.9488 2.9488
2.9644 2.9644 3.2190 3.2190 3.2650 3.2650 3.5103 3.5103
3.8085 3.8085 5.6256 5.6256 7.7108 7.7108 8.5241 8.5241
8.8197 8.8197 8.8685 8.8685 9.3850 9.3850 9.4725 9.4725
9.5291 9.5291
k = 0.0000 0.0000 0.7186 ( 33824 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3474 -8.3474 -8.0612 -8.0612
-7.8301 -7.8301 -7.8024 -7.8024 -7.7064 -7.7064 -7.6825 -7.6825
-4.2920 -4.2920 -4.2903 -4.2903 -2.8607 -2.8607 -2.8451 -2.8451
-2.8381 -2.8381 -2.8352 -2.8352 -1.7168 -1.7168 -1.2976 -1.2976
-1.0885 -1.0885 -0.6799 -0.6799 -0.3974 -0.3974 -0.0283 -0.0283
0.1914 0.1914 0.4236 0.4236 0.7814 0.7814 1.0668 1.0668
1.1632 1.1632 1.2046 1.2046 1.3259 1.3259 1.7962 1.7962
1.8676 1.8676 2.0893 2.0893 2.2392 2.2392 2.3677 2.3677
2.6017 2.6017 2.6324 2.6324 2.8417 2.8417 2.9472 2.9472
2.9634 2.9634 3.2199 3.2199 3.2631 3.2631 3.5097 3.5097
3.8081 3.8081 5.6280 5.6280 7.7303 7.7303 8.5278 8.5278
8.8198 8.8198 8.8557 8.8557 9.3860 9.3860 9.4751 9.4751
9.5363 9.5363
k = 0.0000 0.0000 0.7186 ( 33824 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3474 -8.3474 -8.0612 -8.0612
-7.8301 -7.8301 -7.8024 -7.8024 -7.7064 -7.7064 -7.6825 -7.6825
-4.2920 -4.2920 -4.2903 -4.2903 -2.8607 -2.8607 -2.8451 -2.8451
-2.8381 -2.8381 -2.8352 -2.8352 -1.7168 -1.7168 -1.2976 -1.2976
-1.0885 -1.0885 -0.6799 -0.6799 -0.3974 -0.3974 -0.0283 -0.0283
0.1914 0.1914 0.4236 0.4236 0.7814 0.7814 1.0668 1.0668
1.1632 1.1632 1.2046 1.2046 1.3259 1.3259 1.7962 1.7962
1.8676 1.8676 2.0893 2.0893 2.2392 2.2392 2.3677 2.3677
2.6017 2.6017 2.6324 2.6324 2.8417 2.8417 2.9472 2.9472
2.9634 2.9634 3.2199 3.2199 3.2631 3.2631 3.5097 3.5097
3.8081 3.8081 5.6280 5.6280 7.7303 7.7303 8.5278 8.5278
8.8198 8.8198 8.8557 8.8557 9.3860 9.3860 9.4751 9.4751
9.5363 9.5363
k =-0.0181 0.0186 0.7186 ( 33832 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3472 -8.3472 -8.0619 -8.0619
-7.8297 -7.8297 -7.8021 -7.8021 -7.7064 -7.7064 -7.6827 -7.6827
-4.2920 -4.2920 -4.2903 -4.2903 -2.8607 -2.8607 -2.8451 -2.8451
-2.8383 -2.8383 -2.8352 -2.8352 -1.7158 -1.7158 -1.2972 -1.2972
-1.0886 -1.0886 -0.6798 -0.6798 -0.3973 -0.3973 -0.0286 -0.0286
0.1908 0.1908 0.4226 0.4226 0.7756 0.7756 1.0641 1.0641
1.1597 1.1597 1.2087 1.2087 1.3272 1.3272 1.7992 1.7992
1.8674 1.8674 2.0950 2.0950 2.2388 2.2388 2.3685 2.3685
2.5997 2.5997 2.6343 2.6343 2.8426 2.8426 2.9466 2.9466
2.9651 2.9651 3.2185 3.2185 3.2669 3.2669 3.5101 3.5101
3.8067 3.8067 5.6226 5.6226 7.7310 7.7310 8.5053 8.5053
8.8288 8.8288 8.8602 8.8602 9.3883 9.3883 9.4857 9.4857
9.5373 9.5373
k =-0.0361 0.0373 0.7186 ( 33844 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3468 -8.3468 -8.0637 -8.0637
-7.8285 -7.8285 -7.8014 -7.8014 -7.7064 -7.7064 -7.6832 -7.6832
-4.2921 -4.2921 -4.2903 -4.2903 -2.8605 -2.8605 -2.8451 -2.8451
-2.8387 -2.8387 -2.8352 -2.8352 -1.7131 -1.7131 -1.2960 -1.2960
-1.0889 -1.0889 -0.6795 -0.6795 -0.3970 -0.3970 -0.0296 -0.0296
0.1889 0.1889 0.4195 0.4195 0.7588 0.7588 1.0565 1.0565
1.1533 1.1533 1.2170 1.2170 1.3306 1.3306 1.8073 1.8073
1.8670 1.8670 2.1109 2.1109 2.2384 2.2384 2.3706 2.3706
2.5949 2.5949 2.6389 2.6389 2.8449 2.8449 2.9454 2.9454
2.9699 2.9699 3.2152 3.2152 3.2774 3.2774 3.5114 3.5114
3.8027 3.8027 5.6064 5.6064 7.7331 7.7331 8.4485 8.4485
8.8441 8.8441 8.8764 8.8764 9.3953 9.3953 9.5136 9.5136
9.5401 9.5401
k =-0.0542 0.0559 0.7186 ( 33840 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3461 -8.3461 -8.0667 -8.0667
-7.8268 -7.8268 -7.7999 -7.7999 -7.7063 -7.7063 -7.6840 -7.6840
-4.2922 -4.2922 -4.2904 -4.2904 -2.8603 -2.8603 -2.8451 -2.8451
-2.8394 -2.8394 -2.8352 -2.8352 -1.7086 -1.7086 -1.2942 -1.2942
-1.0894 -1.0894 -0.6790 -0.6790 -0.3964 -0.3964 -0.0314 -0.0314
0.1857 0.1857 0.4145 0.4145 0.7328 0.7328 1.0458 1.0458
1.1483 1.1483 1.2253 1.2253 1.3352 1.3352 1.8182 1.8182
1.8673 1.8673 2.1332 2.1332 2.2407 2.2407 2.3739 2.3739
2.5894 2.5894 2.6442 2.6442 2.8484 2.8484 2.9441 2.9441
2.9771 2.9771 3.2115 3.2115 3.2935 3.2935 3.5136 3.5136
3.7960 3.7960 5.5797 5.5797 7.7365 7.7365 8.3744 8.3744
8.8566 8.8566 8.9008 8.9008 9.4070 9.4070 9.5445 9.5445
9.5460 9.5460
k =-0.0722 0.0745 0.7186 ( 33790 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3452 -8.3452 -8.0704 -8.0704
-7.8248 -7.8248 -7.7978 -7.7978 -7.7061 -7.7061 -7.6852 -7.6852
-4.2923 -4.2923 -4.2904 -4.2904 -2.8600 -2.8600 -2.8451 -2.8451
-2.8403 -2.8403 -2.8352 -2.8352 -1.7025 -1.7025 -1.2918 -1.2918
-1.0902 -1.0902 -0.6782 -0.6782 -0.3955 -0.3955 -0.0343 -0.0343
0.1810 0.1810 0.4076 0.4076 0.7007 0.7007 1.0337 1.0337
1.1454 1.1454 1.2324 1.2324 1.3400 1.3400 1.8289 1.8289
1.8699 1.8699 2.1535 2.1535 2.2525 2.2525 2.3779 2.3779
2.5844 2.5844 2.6492 2.6492 2.8526 2.8526 2.9430 2.9430
2.9864 2.9864 3.2082 3.2082 3.3148 3.3148 3.5167 3.5167
3.7870 3.7870 5.5430 5.5430 7.7413 7.7413 8.2935 8.2935
8.8692 8.8692 8.9253 8.9253 9.4232 9.4232 9.5516 9.5516
9.5700 9.5700
k =-0.0903 0.0932 0.7186 ( 33810 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3443 -8.3443 -8.0746 -8.0746
-7.8229 -7.8229 -7.7948 -7.7948 -7.7060 -7.7060 -7.6867 -7.6867
-4.2925 -4.2925 -4.2905 -4.2905 -2.8596 -2.8596 -2.8451 -2.8451
-2.8413 -2.8413 -2.8353 -2.8353 -1.6951 -1.6951 -1.2889 -1.2889
-1.0911 -1.0911 -0.6771 -0.6771 -0.3945 -0.3945 -0.0384 -0.0384
0.1748 0.1748 0.3992 0.3992 0.6660 0.6660 1.0211 1.0211
1.1445 1.1445 1.2383 1.2383 1.3443 1.3443 1.8360 1.8360
1.8769 1.8769 2.1625 2.1625 2.2801 2.2801 2.3824 2.3824
2.5807 2.5807 2.6534 2.6534 2.8570 2.8570 2.9421 2.9421
2.9974 2.9974 3.2055 3.2055 3.3416 3.3416 3.5210 3.5210
3.7759 3.7759 5.4971 5.4971 7.7475 7.7475 8.2119 8.2119
8.8833 8.8833 8.9475 8.9475 9.4439 9.4439 9.5603 9.5603
9.5898 9.5898
k =-0.1083 0.1118 0.7186 ( 33824 PWs) bands (ev):
-15.5436 -15.5436 -15.5429 -15.5429 -8.3434 -8.3434 -8.0789 -8.0789
-7.8212 -7.8212 -7.7909 -7.7909 -7.7058 -7.7058 -7.6885 -7.6885
-4.2927 -4.2927 -4.2905 -4.2905 -2.8591 -2.8591 -2.8453 -2.8453
-2.8424 -2.8424 -2.8354 -2.8354 -1.6866 -1.6866 -1.2860 -1.2860
-1.0921 -1.0921 -0.6756 -0.6756 -0.3933 -0.3933 -0.0444 -0.0444
0.1670 0.1670 0.3896 0.3896 0.6320 0.6320 1.0085 1.0085
1.1450 1.1450 1.2434 1.2434 1.3478 1.3478 1.8388 1.8388
1.8884 1.8884 2.1607 2.1607 2.3192 2.3192 2.3879 2.3879
2.5788 2.5788 2.6567 2.6567 2.8612 2.8612 2.9414 2.9414
3.0096 3.0096 3.2033 3.2033 3.3745 3.3745 3.5265 3.5265
3.7631 3.7631 5.4431 5.4431 7.7550 7.7550 8.1332 8.1332
8.8988 8.8988 8.9677 8.9677 9.4690 9.4690 9.5709 9.5709
9.6095 9.6095
k =-0.1264 0.1304 0.7186 ( 33830 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3428 -8.3428 -8.0830 -8.0830
-7.8199 -7.8199 -7.7864 -7.7864 -7.7056 -7.7056 -7.6907 -7.6907
-4.2930 -4.2930 -4.2905 -4.2905 -2.8586 -2.8586 -2.8457 -2.8457
-2.8434 -2.8434 -2.8356 -2.8356 -1.6773 -1.6773 -1.2833 -1.2833
-1.0933 -1.0933 -0.6737 -0.6737 -0.3919 -0.3919 -0.0525 -0.0525
0.1579 0.1579 0.3800 0.3800 0.6010 0.6010 0.9959 0.9959
1.1466 1.1466 1.2481 1.2481 1.3505 1.3505 1.8389 1.8389
1.9025 1.9025 2.1533 2.1533 2.3575 2.3575 2.3982 2.3982
2.5792 2.5792 2.6591 2.6591 2.8647 2.8647 2.9408 2.9408
3.0226 3.0226 3.2015 3.2015 3.4136 3.4136 3.5334 3.5334
3.7491 3.7491 5.3825 5.3825 7.7637 7.7637 8.0595 8.0595
8.9151 8.9151 8.9866 8.9866 9.4984 9.4984 9.5836 9.5836
9.6305 9.6305
k =-0.1444 0.1491 0.7186 ( 33818 PWs) bands (ev):
-15.5435 -15.5435 -15.5430 -15.5430 -8.3425 -8.3425 -8.0865 -8.0865
-7.8190 -7.8190 -7.7813 -7.7813 -7.7054 -7.7054 -7.6931 -7.6931
-4.2933 -4.2933 -4.2906 -4.2906 -2.8580 -2.8580 -2.8466 -2.8466
-2.8439 -2.8439 -2.8358 -2.8358 -1.6675 -1.6675 -1.2814 -1.2814
-1.0944 -1.0944 -0.6714 -0.6714 -0.3905 -0.3905 -0.0629 -0.0629
0.1483 0.1483 0.3712 0.3712 0.5742 0.5742 0.9833 0.9833
1.1489 1.1489 1.2525 1.2525 1.3524 1.3524 1.8377 1.8377
1.9175 1.9175 2.1434 2.1434 2.3769 2.3769 2.4255 2.4255
2.5826 2.5826 2.6604 2.6604 2.8673 2.8673 2.9403 2.9403
3.0357 3.0357 3.1999 3.1999 3.4581 3.4581 3.5419 3.5419
3.7347 3.7347 5.3174 5.3174 7.7734 7.7734 7.9926 7.9926
8.9311 8.9311 9.0047 9.0047 9.5318 9.5318 9.5984 9.5984
9.6528 9.6528
k =-0.1625 0.1677 0.7186 ( 33810 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3428 -8.3428 -8.0891 -8.0891
-7.8183 -7.8183 -7.7761 -7.7761 -7.7052 -7.7052 -7.6959 -7.6959
-4.2936 -4.2936 -4.2906 -4.2906 -2.8575 -2.8575 -2.8478 -2.8478
-2.8441 -2.8441 -2.8360 -2.8360 -1.6576 -1.6576 -1.2808 -1.2808
-1.0954 -1.0954 -0.6686 -0.6686 -0.3891 -0.3891 -0.0755 -0.0755
0.1389 0.1389 0.3642 0.3642 0.5520 0.5520 0.9707 0.9707
1.1517 1.1517 1.2569 1.2569 1.3537 1.3537 1.8358 1.8358
1.9323 1.9323 2.1328 2.1328 2.3819 2.3819 2.4612 2.4612
2.5899 2.5899 2.6609 2.6609 2.8688 2.8688 2.9399 2.9399
3.0484 3.0484 3.1983 3.1983 3.5062 3.5062 3.5520 3.5520
3.7207 3.7207 5.2503 5.2503 7.7831 7.7831 7.9339 7.9339
8.9456 8.9456 9.0223 9.0223 9.5692 9.5692 9.6156 9.6156
9.6762 9.6762
k =-0.1805 0.1863 0.7186 ( 33814 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3437 -8.3437 -8.0905 -8.0905
-7.8179 -7.8179 -7.7708 -7.7708 -7.7051 -7.7051 -7.6987 -7.6987
-4.2940 -4.2940 -4.2906 -4.2906 -2.8572 -2.8572 -2.8491 -2.8491
-2.8441 -2.8441 -2.8362 -2.8362 -1.6476 -1.6476 -1.2820 -1.2820
-1.0962 -1.0962 -0.6654 -0.6654 -0.3879 -0.3879 -0.0892 -0.0892
0.1308 0.1308 0.3598 0.3598 0.5339 0.5339 0.9581 0.9581
1.1549 1.1549 1.2612 1.2612 1.3543 1.3543 1.8335 1.8335
1.9463 1.9463 2.1224 2.1224 2.3829 2.3829 2.4924 2.4924
2.6020 2.6020 2.6606 2.6606 2.8691 2.8691 2.9395 2.9395
3.0601 3.0601 3.1963 3.1963 3.5540 3.5540 3.5643 3.5643
3.7089 3.7089 5.1844 5.1844 7.7895 7.7895 7.8872 7.8872
8.9574 8.9574 9.0392 9.0392 9.6099 9.6099 9.6352 9.6352
9.6994 9.6996
k =-0.1986 0.2049 0.7186 ( 33816 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3454 -8.3454 -8.0905 -8.0905
-7.8176 -7.8176 -7.7657 -7.7657 -7.7054 -7.7054 -7.7014 -7.7014
-4.2944 -4.2944 -4.2905 -4.2905 -2.8573 -2.8573 -2.8501 -2.8501
-2.8441 -2.8441 -2.8364 -2.8364 -1.6380 -1.6380 -1.2859 -1.2859
-1.0966 -1.0966 -0.6620 -0.6620 -0.3873 -0.3873 -0.1023 -0.1023
0.1243 0.1243 0.3583 0.3583 0.5193 0.5193 0.9456 0.9456
1.1581 1.1581 1.2656 1.2656 1.3545 1.3545 1.8308 1.8308
1.9584 1.9584 2.1135 2.1135 2.3819 2.3819 2.5157 2.5157
2.6192 2.6192 2.6595 2.6595 2.8682 2.8682 2.9389 2.9389
3.0706 3.0706 3.1936 3.1936 3.5760 3.5760 3.5972 3.5972
3.7032 3.7032 5.1237 5.1237 7.7822 7.7822 7.8628 7.8628
8.9651 8.9651 9.0551 9.0551 9.6504 9.6504 9.6583 9.6583
9.6882 9.6882
k =-0.2166 0.2236 0.7186 ( 33820 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3479 -8.3479 -8.0889 -8.0889
-7.8174 -7.8174 -7.7610 -7.7610 -7.7072 -7.7072 -7.7028 -7.7028
-4.2948 -4.2948 -4.2905 -4.2905 -2.8578 -2.8578 -2.8505 -2.8505
-2.8440 -2.8440 -2.8365 -2.8365 -1.6289 -1.6289 -1.2927 -1.2927
-1.0964 -1.0964 -0.6587 -0.6587 -0.3875 -0.3875 -0.1127 -0.1127
0.1198 0.1198 0.3596 0.3596 0.5078 0.5078 0.9335 0.9335
1.1613 1.1613 1.2701 1.2701 1.3542 1.3542 1.8279 1.8279
1.9676 1.9676 2.1074 2.1074 2.3796 2.3796 2.5315 2.5315
2.6401 2.6401 2.6577 2.6577 2.8663 2.8663 2.9380 2.9380
3.0796 3.0796 3.1901 3.1901 3.5893 3.5893 3.6231 3.6231
3.7102 3.7102 5.0727 5.0727 7.7564 7.7564 7.8656 7.8656
8.9672 8.9672 9.0694 9.0694 9.6446 9.6446 9.6873 9.6873
9.7025 9.7025
k =-0.2347 0.2422 0.7186 ( 33824 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3512 -8.3512 -8.0858 -8.0858
-7.8174 -7.8174 -7.7571 -7.7571 -7.7101 -7.7101 -7.7029 -7.7029
-4.2952 -4.2952 -4.2905 -4.2905 -2.8590 -2.8590 -2.8505 -2.8505
-2.8440 -2.8440 -2.8367 -2.8367 -1.6203 -1.6203 -1.3028 -1.3028
-1.0957 -1.0957 -0.6557 -0.6557 -0.3888 -0.3888 -0.1184 -0.1184
0.1169 0.1169 0.3635 0.3635 0.4989 0.4989 0.9218 0.9218
1.1643 1.1643 1.2746 1.2746 1.3535 1.3535 1.8245 1.8245
1.9726 1.9726 2.1056 2.1056 2.3762 2.3762 2.5419 2.5419
2.6554 2.6554 2.6624 2.6624 2.8634 2.8634 2.9367 2.9367
3.0872 3.0872 3.1853 3.1853 3.5996 3.5996 3.6339 3.6339
3.7277 3.7277 5.0361 5.0361 7.7252 7.7252 7.8823 7.8823
8.9627 8.9627 9.0813 9.0813 9.6097 9.6097 9.7149 9.7149
9.7399 9.7399
k =-0.2347 0.2422 0.7186 ( 33824 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3512 -8.3512 -8.0858 -8.0858
-7.8174 -7.8174 -7.7571 -7.7571 -7.7101 -7.7101 -7.7029 -7.7029
-4.2952 -4.2952 -4.2905 -4.2905 -2.8590 -2.8590 -2.8505 -2.8505
-2.8440 -2.8440 -2.8367 -2.8367 -1.6203 -1.6203 -1.3028 -1.3028
-1.0957 -1.0957 -0.6557 -0.6557 -0.3888 -0.3888 -0.1184 -0.1184
0.1169 0.1169 0.3635 0.3635 0.4989 0.4989 0.9218 0.9218
1.1643 1.1643 1.2746 1.2746 1.3535 1.3535 1.8245 1.8245
1.9726 1.9726 2.1056 2.1056 2.3762 2.3762 2.5419 2.5419
2.6554 2.6554 2.6624 2.6624 2.8634 2.8634 2.9367 2.9367
3.0872 3.0872 3.1853 3.1853 3.5996 3.5996 3.6339 3.6339
3.7277 3.7277 5.0361 5.0361 7.7252 7.7252 7.8823 7.8823
8.9627 8.9627 9.0813 9.0813 9.6097 9.6097 9.7149 9.7149
9.7399 9.7399
k =-0.2467 0.2547 0.7012 ( 33819 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3538 -8.3538 -8.0830 -8.0830
-7.8172 -7.8172 -7.7550 -7.7550 -7.7121 -7.7121 -7.7028 -7.7028
-4.2955 -4.2955 -4.2905 -4.2905 -2.8600 -2.8600 -2.8503 -2.8503
-2.8439 -2.8439 -2.8368 -2.8368 -1.6146 -1.6146 -1.3111 -1.3111
-1.0951 -1.0951 -0.6538 -0.6538 -0.3903 -0.3903 -0.1189 -0.1189
0.1151 0.1151 0.3670 0.3670 0.4939 0.4939 0.9099 0.9099
1.1672 1.1672 1.2779 1.2779 1.3528 1.3528 1.8256 1.8256
1.9739 1.9739 2.1074 2.1074 2.3737 2.3737 2.5466 2.5466
2.6533 2.6533 2.6780 2.6780 2.8609 2.8609 2.9365 2.9365
3.0917 3.0917 3.1817 3.1817 3.6015 3.6015 3.6408 3.6408
3.7387 3.7387 5.0210 5.0210 7.7032 7.7032 7.8904 7.8904
8.9565 8.9565 9.0935 9.0935 9.5859 9.5859 9.7186 9.7186
9.7587 9.7587
k =-0.2588 0.2671 0.6839 ( 33815 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3565 -8.3565 -8.0801 -8.0801
-7.8166 -7.8166 -7.7534 -7.7534 -7.7141 -7.7141 -7.7027 -7.7027
-4.2957 -4.2957 -4.2906 -4.2906 -2.8611 -2.8611 -2.8504 -2.8504
-2.8438 -2.8438 -2.8369 -2.8369 -1.6086 -1.6086 -1.3201 -1.3201
-1.0944 -1.0944 -0.6521 -0.6521 -0.3922 -0.3922 -0.1166 -0.1166
0.1127 0.1127 0.3708 0.3708 0.4889 0.4889 0.8910 0.8910
1.1716 1.1716 1.2816 1.2816 1.3522 1.3522 1.8327 1.8327
1.9746 1.9746 2.1114 2.1114 2.3713 2.3713 2.5497 2.5497
2.6521 2.6521 2.6932 2.6932 2.8579 2.8579 2.9379 2.9379
3.0965 3.0965 3.1781 3.1781 3.5999 3.5999 3.6494 3.6494
3.7455 3.7455 5.0131 5.0131 7.6795 7.6795 7.8870 7.8870
8.9482 8.9482 9.1167 9.1167 9.5634 9.5634 9.7032 9.7032
9.7735 9.7737
k =-0.2708 0.2796 0.6666 ( 33819 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3593 -8.3593 -8.0770 -8.0770
-7.8156 -7.8156 -7.7524 -7.7524 -7.7158 -7.7158 -7.7025 -7.7025
-4.2960 -4.2960 -4.2907 -4.2907 -2.8622 -2.8622 -2.8506 -2.8506
-2.8436 -2.8436 -2.8371 -2.8371 -1.6024 -1.6024 -1.3296 -1.3296
-1.0937 -1.0937 -0.6506 -0.6506 -0.3945 -0.3945 -0.1115 -0.1115
0.1094 0.1094 0.3748 0.3748 0.4840 0.4840 0.8672 0.8672
1.1766 1.1766 1.2852 1.2852 1.3515 1.3515 1.8441 1.8441
1.9753 1.9753 2.1171 2.1171 2.3692 2.3692 2.5511 2.5511
2.6522 2.6522 2.7076 2.7076 2.8548 2.8548 2.9403 2.9403
3.1015 3.1015 3.1746 3.1746 3.5970 3.5970 3.6585 3.6585
3.7469 3.7469 5.0125 5.0125 7.6546 7.6546 7.8741 7.8741
8.9371 8.9371 9.1505 9.1505 9.5433 9.5433 9.6818 9.6818
9.7447 9.7448
k =-0.2829 0.2920 0.6492 ( 33813 PWs) bands (ev):
-15.5436 -15.5436 -15.5429 -15.5429 -8.3620 -8.3620 -8.0741 -8.0741
-7.8143 -7.8143 -7.7520 -7.7520 -7.7171 -7.7171 -7.7023 -7.7023
-4.2963 -4.2963 -4.2909 -4.2909 -2.8633 -2.8633 -2.8510 -2.8510
-2.8434 -2.8434 -2.8371 -2.8371 -1.5961 -1.5961 -1.3393 -1.3393
-1.0931 -1.0931 -0.6492 -0.6492 -0.3969 -0.3969 -0.1035 -0.1035
0.1049 0.1049 0.3790 0.3790 0.4790 0.4790 0.8411 0.8411
1.1818 1.1818 1.2884 1.2884 1.3509 1.3509 1.8575 1.8575
1.9770 1.9770 2.1236 2.1236 2.3676 2.3676 2.5512 2.5512
2.6534 2.6534 2.7208 2.7208 2.8517 2.8517 2.9435 2.9435
3.1069 3.1069 3.1713 3.1713 3.5939 3.5939 3.6671 3.6671
3.7425 3.7425 5.0185 5.0185 7.6285 7.6285 7.8552 7.8552
8.9235 8.9235 9.1925 9.1925 9.5266 9.5266 9.6580 9.6580
9.7106 9.7106
k =-0.2950 0.3045 0.6319 ( 33802 PWs) bands (ev):
-15.5437 -15.5437 -15.5429 -15.5429 -8.3645 -8.3645 -8.0713 -8.0713
-7.8128 -7.8128 -7.7524 -7.7524 -7.7181 -7.7181 -7.7021 -7.7021
-4.2965 -4.2965 -4.2911 -4.2911 -2.8643 -2.8643 -2.8515 -2.8515
-2.8432 -2.8432 -2.8372 -2.8372 -1.5897 -1.5897 -1.3490 -1.3490
-1.0925 -1.0925 -0.6480 -0.6480 -0.3993 -0.3993 -0.0931 -0.0931
0.0990 0.0990 0.3836 0.3836 0.4739 0.4739 0.8147 0.8147
1.1866 1.1866 1.2912 1.2912 1.3503 1.3503 1.8709 1.8709
1.9805 1.9805 2.1300 2.1300 2.3666 2.3666 2.5501 2.5501
2.6555 2.6555 2.7328 2.7328 2.8488 2.8488 2.9471 2.9471
3.1124 3.1124 3.1685 3.1685 3.5910 3.5910 3.6746 3.6746
3.7333 3.7333 5.0299 5.0299 7.6016 7.6016 7.8339 7.8339
8.9084 8.9084 9.2397 9.2397 9.5138 9.5138 9.6337 9.6337
9.6794 9.6794
k =-0.3070 0.3169 0.6146 ( 33800 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3668 -8.3668 -8.0688 -8.0688
-7.8110 -7.8110 -7.7534 -7.7534 -7.7187 -7.7187 -7.7019 -7.7019
-4.2967 -4.2967 -4.2913 -4.2913 -2.8652 -2.8652 -2.8521 -2.8521
-2.8430 -2.8430 -2.8372 -2.8372 -1.5836 -1.5836 -1.3582 -1.3582
-1.0920 -1.0920 -0.6471 -0.6471 -0.4017 -0.4017 -0.0806 -0.0806
0.0915 0.0915 0.3885 0.3885 0.4686 0.4686 0.7896 0.7896
1.1909 1.1909 1.2934 1.2934 1.3498 1.3498 1.8823 1.8823
1.9865 1.9865 2.1357 2.1357 2.3662 2.3662 2.5483 2.5483
2.6581 2.6581 2.7434 2.7434 2.8463 2.8463 2.9505 2.9505
3.1179 3.1179 3.1664 3.1664 3.5887 3.5887 3.6799 3.6799
3.7215 3.7215 5.0447 5.0447 7.5744 7.5744 7.8133 7.8133
8.8929 8.8929 9.2891 9.2891 9.5054 9.5054 9.6100 9.6100
9.6505 9.6505
k =-0.3191 0.3294 0.5972 ( 33807 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3688 -8.3688 -8.0667 -8.0667
-7.8092 -7.8092 -7.7547 -7.7547 -7.7189 -7.7189 -7.7018 -7.7018
-4.2968 -4.2968 -4.2914 -4.2914 -2.8659 -2.8659 -2.8527 -2.8527
-2.8428 -2.8428 -2.8372 -2.8372 -1.5779 -1.5779 -1.3667 -1.3667
-1.0916 -1.0916 -0.6464 -0.6464 -0.4038 -0.4038 -0.0667 -0.0667
0.0827 0.0827 0.3936 0.3936 0.4631 0.4631 0.7674 0.7674
1.1944 1.1944 1.2952 1.2952 1.3493 1.3493 1.8906 1.8906
1.9946 1.9946 2.1404 2.1404 2.3664 2.3664 2.5461 2.5461
2.6607 2.6607 2.7525 2.7525 2.8441 2.8441 2.9537 2.9537
3.1231 3.1231 3.1652 3.1652 3.5870 3.5870 3.6806 3.6806
3.7111 3.7111 5.0609 5.0609 7.5483 7.5483 7.7954 7.7954
8.8782 8.8782 9.3382 9.3382 9.5011 9.5011 9.5879 9.5879
9.6228 9.6228
k =-0.3312 0.3418 0.5799 ( 33825 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3704 -8.3704 -8.0649 -8.0649
-7.8074 -7.8074 -7.7562 -7.7562 -7.7190 -7.7190 -7.7016 -7.7016
-4.2970 -4.2970 -4.2916 -4.2916 -2.8665 -2.8665 -2.8532 -2.8532
-2.8426 -2.8426 -2.8372 -2.8372 -1.5729 -1.5729 -1.3739 -1.3739
-1.0912 -1.0912 -0.6459 -0.6459 -0.4055 -0.4055 -0.0522 -0.0522
0.0727 0.0727 0.3989 0.3989 0.4576 0.4576 0.7491 0.7491
1.1972 1.1972 1.2964 1.2964 1.3490 1.3490 1.8959 1.8959
2.0037 2.0037 2.1437 2.1437 2.3670 2.3670 2.5438 2.5438
2.6631 2.6631 2.7598 2.7598 2.8425 2.8425 2.9563 2.9563
3.1273 3.1273 3.1652 3.1652 3.5858 3.5858 3.6738 3.6738
3.7071 3.7071 5.0762 5.0762 7.5251 7.5251 7.7812 7.7812
8.8655 8.8655 9.3847 9.3847 9.5004 9.5004 9.5680 9.5680
9.5961 9.5961
k =-0.3432 0.3542 0.5626 ( 33809 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3715 -8.3715 -8.0637 -8.0637
-7.8060 -7.8060 -7.7576 -7.7576 -7.7190 -7.7190 -7.7015 -7.7015
-4.2970 -4.2970 -4.2917 -4.2917 -2.8669 -2.8669 -2.8536 -2.8536
-2.8425 -2.8425 -2.8372 -2.8372 -1.5690 -1.5690 -1.3795 -1.3795
-1.0909 -1.0909 -0.6456 -0.6456 -0.4068 -0.4068 -0.0385 -0.0385
0.0626 0.0626 0.4039 0.4039 0.4524 0.4524 0.7354 0.7354
1.1992 1.1992 1.2973 1.2973 1.3487 1.3487 1.8989 1.8989
2.0120 2.0120 2.1457 2.1457 2.3677 2.3677 2.5420 2.5420
2.6650 2.6650 2.7652 2.7652 2.8412 2.8412 2.9583 2.9583
3.1303 3.1303 3.1661 3.1661 3.5851 3.5851 3.6636 3.6636
3.7075 3.7075 5.0888 5.0888 7.5068 7.5068 7.7711 7.7711
8.8558 8.8558 9.4266 9.4266 9.5024 9.5024 9.5505 9.5505
9.5719 9.5719
k =-0.3553 0.3667 0.5452 ( 33794 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3722 -8.3722 -8.0629 -8.0629
-7.8049 -7.8049 -7.7586 -7.7586 -7.7189 -7.7189 -7.7015 -7.7015
-4.2971 -4.2971 -4.2918 -4.2918 -2.8672 -2.8672 -2.8538 -2.8538
-2.8425 -2.8425 -2.8372 -2.8372 -1.5665 -1.5665 -1.3830 -1.3830
-1.0908 -1.0908 -0.6454 -0.6454 -0.4076 -0.4076 -0.0278 -0.0278
0.0542 0.0542 0.4078 0.4078 0.4484 0.4484 0.7271 0.7271
1.2004 1.2004 1.2978 1.2978 1.3485 1.3485 1.9005 1.9005
2.0177 2.0177 2.1467 2.1467 2.3683 2.3683 2.5407 2.5407
2.6662 2.6662 2.7686 2.7686 2.8405 2.8405 2.9594 2.9594
3.1319 3.1319 3.1672 3.1672 3.5848 3.5848 3.6557 3.6557
3.7086 3.7086 5.0970 5.0970 7.4951 7.4951 7.7651 7.7651
8.8496 8.8496 9.4621 9.4621 9.5042 9.5042 9.5353 9.5353
9.5528 9.5528
k =-0.3673 0.3791 0.5279 ( 33804 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3724 -8.3724 -8.0627 -8.0627
-7.8045 -7.8045 -7.7590 -7.7590 -7.7189 -7.7189 -7.7015 -7.7015
-4.2971 -4.2971 -4.2918 -4.2918 -2.8673 -2.8673 -2.8539 -2.8539
-2.8424 -2.8424 -2.8371 -2.8371 -1.5657 -1.5657 -1.3842 -1.3842
-1.0907 -1.0907 -0.6454 -0.6454 -0.4078 -0.4078 -0.0236 -0.0236
0.0508 0.0508 0.4093 0.4093 0.4468 0.4468 0.7243 0.7243
1.2008 1.2008 1.2980 1.2980 1.3485 1.3485 1.9009 1.9009
2.0198 2.0198 2.1470 2.1470 2.3686 2.3686 2.5402 2.5402
2.6666 2.6666 2.7697 2.7697 2.8402 2.8402 2.9598 2.9598
3.1324 3.1324 3.1676 3.1676 3.5848 3.5848 3.6528 3.6528
3.7090 3.7090 5.0998 5.0998 7.4910 7.4910 7.7631 7.7631
8.8475 8.8475 9.4825 9.4825 9.5002 9.5002 9.5280 9.5280
9.5450 9.5450
k =-0.3673 0.3791 0.5279 ( 33804 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3724 -8.3724 -8.0627 -8.0627
-7.8045 -7.8045 -7.7590 -7.7590 -7.7189 -7.7189 -7.7015 -7.7015
-4.2971 -4.2971 -4.2918 -4.2918 -2.8673 -2.8673 -2.8539 -2.8539
-2.8424 -2.8424 -2.8371 -2.8371 -1.5657 -1.5657 -1.3842 -1.3842
-1.0907 -1.0907 -0.6454 -0.6454 -0.4078 -0.4078 -0.0236 -0.0236
0.0508 0.0508 0.4093 0.4093 0.4468 0.4468 0.7243 0.7243
1.2008 1.2008 1.2980 1.2980 1.3485 1.3485 1.9009 1.9009
2.0198 2.0198 2.1470 2.1470 2.3686 2.3686 2.5402 2.5402
2.6666 2.6666 2.7697 2.7697 2.8402 2.8402 2.9598 2.9598
3.1324 3.1324 3.1676 3.1676 3.5848 3.5848 3.6528 3.6528
3.7090 3.7090 5.0998 5.0998 7.4910 7.4910 7.7631 7.7631
8.8475 8.8475 9.4825 9.4825 9.5002 9.5002 9.5280 9.5280
9.5450 9.5450
k =-0.3542 0.3656 0.5091 ( 33770 PWs) bands (ev):
-15.5437 -15.5437 -15.5429 -15.5429 -8.3674 -8.3674 -8.0732 -8.0732
-7.8014 -7.8014 -7.7540 -7.7540 -7.7214 -7.7214 -7.7016 -7.7016
-4.2968 -4.2968 -4.2925 -4.2925 -2.8661 -2.8661 -2.8562 -2.8562
-2.8424 -2.8424 -2.8377 -2.8377 -1.5646 -1.5646 -1.3607 -1.3607
-1.0932 -1.0932 -0.6403 -0.6403 -0.4031 -0.4031 -0.0485 -0.0485
0.0367 0.0367 0.4020 0.4020 0.4204 0.4204 0.7082 0.7082
1.2001 1.2001 1.2949 1.2949 1.3510 1.3510 1.9209 1.9209
2.0582 2.0582 2.1392 2.1392 2.3773 2.3773 2.5432 2.5432
2.6743 2.6743 2.7630 2.7630 2.8452 2.8452 2.9735 2.9735
3.1343 3.1343 3.2026 3.2026 3.6004 3.6004 3.6780 3.6780
3.6902 3.6902 5.0336 5.0336 7.4140 7.4140 7.7361 7.7361
8.8806 8.8806 9.4339 9.4339 9.5112 9.5112 9.5189 9.5189
9.5370 9.5370
k =-0.3411 0.3521 0.4902 ( 33774 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3630 -8.3630 -8.0825 -8.0825
-7.7983 -7.7983 -7.7494 -7.7494 -7.7240 -7.7240 -7.7017 -7.7017
-4.2966 -4.2966 -4.2934 -4.2934 -2.8652 -2.8652 -2.8588 -2.8588
-2.8422 -2.8422 -2.8386 -2.8386 -1.5636 -1.5636 -1.3375 -1.3375
-1.0961 -1.0961 -0.6352 -0.6352 -0.3977 -0.3977 -0.0756 -0.0756
0.0234 0.0234 0.3775 0.3775 0.4136 0.4136 0.6945 0.6945
1.1980 1.1980 1.2917 1.2917 1.3534 1.3534 1.9383 1.9383
2.0921 2.0921 2.1417 2.1417 2.3848 2.3848 2.5439 2.5439
2.6810 2.6810 2.7588 2.7588 2.8500 2.8500 2.9866 2.9866
3.1369 3.1369 3.2382 3.2382 3.6132 3.6132 3.6592 3.6592
3.7221 3.7221 4.9701 4.9701 7.3199 7.3199 7.7304 7.7304
8.9117 8.9117 9.3761 9.3761 9.4781 9.4781 9.5101 9.5101
9.5187 9.5187
k =-0.3280 0.3385 0.4713 ( 33786 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3595 -8.3595 -8.0902 -8.0902
-7.7952 -7.7952 -7.7452 -7.7452 -7.7266 -7.7266 -7.7017 -7.7017
-4.2964 -4.2964 -4.2943 -4.2943 -2.8645 -2.8645 -2.8614 -2.8614
-2.8421 -2.8421 -2.8398 -2.8398 -1.5626 -1.5626 -1.3153 -1.3153
-1.0994 -1.0994 -0.6302 -0.6302 -0.3919 -0.3919 -0.1040 -0.1040
0.0112 0.0112 0.3516 0.3516 0.4116 0.4116 0.6833 0.6833
1.1946 1.1946 1.2886 1.2886 1.3554 1.3554 1.9523 1.9523
2.1078 2.1078 2.1682 2.1682 2.3911 2.3911 2.5427 2.5427
2.6852 2.6852 2.7583 2.7583 2.8548 2.8548 2.9983 2.9983
3.1408 3.1408 3.2737 3.2737 3.6214 3.6214 3.6408 3.6408
3.7619 3.7619 4.9106 4.9106 7.2194 7.2194 7.7363 7.7363
8.9401 8.9401 9.3156 9.3156 9.4369 9.4369 9.4712 9.4712
9.4785 9.4785
k =-0.3149 0.3250 0.4525 ( 33804 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3571 -8.3571 -8.0959 -8.0959
-7.7921 -7.7921 -7.7417 -7.7417 -7.7290 -7.7290 -7.7017 -7.7017
-4.2963 -4.2963 -4.2954 -4.2954 -2.8654 -2.8654 -2.8628 -2.8628
-2.8419 -2.8419 -2.8415 -2.8415 -1.5617 -1.5617 -1.2951 -1.2951
-1.1029 -1.1029 -0.6253 -0.6253 -0.3856 -0.3856 -0.1327 -0.1327
0.0003 0.0003 0.3293 0.3293 0.4096 0.4096 0.6743 0.6743
1.1899 1.1899 1.2859 1.2859 1.3572 1.3572 1.9621 1.9621
2.1145 2.1145 2.2091 2.2091 2.3963 2.3963 2.5400 2.5400
2.6867 2.6867 2.7618 2.7618 2.8595 2.8595 3.0081 3.0081
3.1463 3.1463 3.3083 3.3083 3.6096 3.6096 3.6445 3.6445
3.8030 3.8030 4.8567 4.8567 7.1183 7.1183 7.7487 7.7487
8.9647 8.9647 9.2537 9.2537 9.3881 9.3881 9.4159 9.4159
9.4278 9.4278
k =-0.3017 0.3114 0.4336 ( 33834 PWs) bands (ev):
-15.5434 -15.5434 -15.5433 -15.5433 -8.3563 -8.3563 -8.0993 -8.0993
-7.7891 -7.7891 -7.7389 -7.7389 -7.7312 -7.7312 -7.7016 -7.7016
-4.2970 -4.2970 -4.2960 -4.2960 -2.8683 -2.8683 -2.8625 -2.8625
-2.8435 -2.8435 -2.8417 -2.8417 -1.5609 -1.5609 -1.2783 -1.2783
-1.1062 -1.1062 -0.6207 -0.6207 -0.3792 -0.3792 -0.1601 -0.1601
-0.0090 -0.0090 0.3112 0.3112 0.4072 0.4072 0.6675 0.6675
1.1838 1.1838 1.2838 1.2838 1.3587 1.3587 1.9674 1.9674
2.1232 2.1232 2.2524 2.2524 2.4003 2.4003 2.5362 2.5362
2.6866 2.6866 2.7685 2.7685 2.8643 2.8643 3.0156 3.0156
3.1535 3.1535 3.3416 3.3416 3.5921 3.5921 3.6572 3.6572
3.8434 3.8434 4.8095 4.8095 7.0198 7.0198 7.7658 7.7658
8.9848 8.9848 9.1912 9.1912 9.3313 9.3313 9.3475 9.3475
9.3780 9.3780
k =-0.2886 0.2979 0.4148 ( 33822 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3572 -8.3572 -8.1003 -8.1003
-7.7864 -7.7864 -7.7375 -7.7375 -7.7323 -7.7323 -7.7015 -7.7015
-4.2985 -4.2985 -4.2960 -4.2960 -2.8717 -2.8717 -2.8622 -2.8622
-2.8460 -2.8460 -2.8416 -2.8416 -1.5602 -1.5602 -1.2660 -1.2660
-1.1088 -1.1088 -0.6165 -0.6165 -0.3732 -0.3732 -0.1844 -0.1844
-0.0165 -0.0165 0.2973 0.2973 0.4044 0.4044 0.6626 0.6626
1.1765 1.1765 1.2824 1.2824 1.3599 1.3599 1.9689 1.9689
2.1358 2.1358 2.2943 2.2943 2.4030 2.4030 2.5318 2.5318
2.6863 2.6863 2.7773 2.7773 2.8695 2.8695 3.0208 3.0208
3.1624 3.1624 3.3727 3.3727 3.5774 3.5774 3.6714 3.6714
3.8817 3.8817 4.7705 4.7705 6.9258 6.9258 7.7864 7.7864
8.9989 8.9989 9.1285 9.1285 9.2656 9.2656 9.2759 9.2759
9.3277 9.3277
k =-0.2755 0.2844 0.3959 ( 33816 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3598 -8.3598 -8.0986 -8.0986
-7.7840 -7.7840 -7.7379 -7.7379 -7.7317 -7.7317 -7.7013 -7.7013
-4.3002 -4.3002 -4.2960 -4.2960 -2.8753 -2.8753 -2.8621 -2.8621
-2.8489 -2.8489 -2.8415 -2.8415 -1.5596 -1.5596 -1.2599 -1.2599
-1.1101 -1.1101 -0.6128 -0.6128 -0.3688 -0.3688 -0.2031 -0.2031
-0.0221 -0.0221 0.2875 0.2875 0.4011 0.4011 0.6596 0.6596
1.1681 1.1681 1.2816 1.2816 1.3607 1.3607 1.9676 1.9676
2.1514 2.1514 2.3321 2.3321 2.4045 2.4045 2.5276 2.5276
2.6871 2.6871 2.7872 2.7872 2.8752 2.8752 3.0239 3.0239
3.1724 3.1724 3.4011 3.4011 3.5671 3.5671 3.6861 3.6861
3.9164 3.9164 4.7409 4.7409 6.8378 6.8378 7.8100 7.8100
9.0047 9.0047 9.0667 9.0667 9.1904 9.1904 9.2065 9.2065
9.2776 9.2776
k =-0.2624 0.2708 0.3771 ( 33810 PWs) bands (ev):
-15.5438 -15.5438 -15.5429 -15.5429 -8.3642 -8.3642 -8.0943 -8.0943
-7.7821 -7.7821 -7.7389 -7.7389 -7.7306 -7.7306 -7.7010 -7.7010
-4.3020 -4.3020 -4.2961 -4.2961 -2.8790 -2.8790 -2.8622 -2.8622
-2.8522 -2.8522 -2.8416 -2.8416 -1.5592 -1.5592 -1.2610 -1.2610
-1.1094 -1.1094 -0.6097 -0.6097 -0.3671 -0.3671 -0.2142 -0.2142
-0.0255 -0.0255 0.2816 0.2816 0.3974 0.3974 0.6583 0.6583
1.1587 1.1587 1.2814 1.2814 1.3610 1.3610 1.9648 1.9648
2.1690 2.1690 2.3620 2.3620 2.4067 2.4067 2.5249 2.5249
2.6899 2.6899 2.7975 2.7975 2.8817 2.8817 3.0256 3.0256
3.1827 3.1827 3.4264 3.4264 3.5620 3.5620 3.7008 3.7008
3.9463 3.9463 4.7217 4.7217 6.7570 6.7570 7.8364 7.8364
8.9885 8.9885 9.0172 9.0172 9.1121 9.1121 9.1369 9.1369
9.2291 9.2291
k =-0.2493 0.2573 0.3582 ( 33800 PWs) bands (ev):
-15.5439 -15.5439 -15.5428 -15.5428 -8.3701 -8.3701 -8.0878 -8.0878
-7.7808 -7.7808 -7.7396 -7.7396 -7.7297 -7.7297 -7.7006 -7.7006
-4.3040 -4.3040 -4.2963 -4.2963 -2.8828 -2.8828 -2.8625 -2.8625
-2.8558 -2.8558 -2.8418 -2.8418 -1.5590 -1.5590 -1.2693 -1.2693
-1.1070 -1.1070 -0.6072 -0.6072 -0.3692 -0.3692 -0.2161 -0.2161
-0.0268 -0.0268 0.2795 0.2795 0.3934 0.3934 0.6585 0.6585
1.1485 1.1485 1.2817 1.2817 1.3609 1.3609 1.9611 1.9611
2.1874 2.1874 2.3750 2.3750 2.4167 2.4167 2.5251 2.5251
2.6948 2.6948 2.8081 2.8081 2.8895 2.8895 3.0265 3.0265
3.1926 3.1926 3.4480 3.4480 3.5625 3.5625 3.7155 3.7155
3.9702 3.9702 4.7138 4.7138 6.6842 6.6842 7.8651 7.8651
8.9315 8.9315 8.9950 8.9950 9.0345 9.0345 9.0674 9.0674
9.1842 9.1842
k =-0.2361 0.2437 0.3394 ( 33810 PWs) bands (ev):
-15.5440 -15.5440 -15.5426 -15.5426 -8.3773 -8.3773 -8.0791 -8.0791
-7.7802 -7.7802 -7.7397 -7.7397 -7.7293 -7.7293 -7.7002 -7.7002
-4.3062 -4.3062 -4.2965 -4.2965 -2.8868 -2.8868 -2.8636 -2.8636
-2.8591 -2.8591 -2.8422 -2.8422 -1.5589 -1.5589 -1.2845 -1.2845
-1.1033 -1.1033 -0.6053 -0.6053 -0.3744 -0.3744 -0.2092 -0.2092
-0.0259 -0.0259 0.2811 0.2811 0.3892 0.3892 0.6600 0.6600
1.1376 1.1376 1.2823 1.2823 1.3602 1.3602 1.9569 1.9569
2.2060 2.2060 2.3712 2.3712 2.4335 2.4335 2.5293 2.5293
2.7014 2.7014 2.8187 2.8187 2.8987 2.8987 3.0273 3.0273
3.2017 3.2017 3.4659 3.4659 3.5686 3.5686 3.7298 3.7298
3.9872 3.9872 4.7176 4.7176 6.6202 6.6202 7.8958 7.8958
8.8670 8.8670 8.9493 8.9493 8.9723 8.9723 9.0017 9.0017
9.1446 9.1446
k =-0.2230 0.2302 0.3205 ( 33830 PWs) bands (ev):
-15.5442 -15.5442 -15.5425 -15.5425 -8.3854 -8.3854 -8.0686 -8.0686
-7.7804 -7.7804 -7.7391 -7.7391 -7.7293 -7.7293 -7.6997 -7.6997
-4.3085 -4.3085 -4.2969 -4.2969 -2.8908 -2.8908 -2.8667 -2.8667
-2.8609 -2.8609 -2.8428 -2.8428 -1.5589 -1.5589 -1.3052 -1.3052
-1.0992 -1.0992 -0.6041 -0.6041 -0.3813 -0.3813 -0.1954 -0.1954
-0.0228 -0.0228 0.2865 0.2865 0.3849 0.3849 0.6627 0.6627
1.1261 1.1261 1.2830 1.2830 1.3589 1.3589 1.9522 1.9522
2.2238 2.2238 2.3607 2.3607 2.4484 2.4484 2.5375 2.5375
2.7086 2.7086 2.8293 2.8293 2.9095 2.9095 3.0285 3.0285
3.2098 3.2098 3.4798 3.4798 3.5800 3.5800 3.7439 3.7439
3.9967 3.9967 4.7332 4.7332 6.5656 6.5656 7.9277 7.9277
8.8002 8.8002 8.8758 8.8758 8.9188 8.9188 8.9484 8.9484
9.1099 9.1099
k =-0.2099 0.2167 0.3017 ( 33820 PWs) bands (ev):
-15.5443 -15.5443 -15.5424 -15.5424 -8.3942 -8.3942 -8.0568 -8.0568
-7.7813 -7.7813 -7.7378 -7.7378 -7.7297 -7.7297 -7.6991 -7.6991
-4.3109 -4.3109 -4.2973 -4.2973 -2.8948 -2.8948 -2.8712 -2.8712
-2.8617 -2.8617 -2.8437 -2.8437 -1.5592 -1.5592 -1.3303 -1.3303
-1.0952 -1.0952 -0.6036 -0.6036 -0.3885 -0.3885 -0.1768 -0.1768
-0.0176 -0.0176 0.2957 0.2957 0.3807 0.3807 0.6663 0.6663
1.1143 1.1143 1.2836 1.2836 1.3569 1.3569 1.9468 1.9468
2.2401 2.2401 2.3483 2.3483 2.4599 2.4599 2.5486 2.5486
2.7154 2.7154 2.8402 2.8402 2.9219 2.9219 3.0303 3.0303
3.2170 3.2170 3.4897 3.4897 3.5961 3.5961 3.7578 3.7578
3.9984 3.9984 4.7600 4.7600 6.5204 6.5204 7.9600 7.9600
8.7314 8.7314 8.8024 8.8024 8.8572 8.8572 8.9014 8.9014
9.0772 9.0772
k =-0.1968 0.2031 0.2828 ( 33822 PWs) bands (ev):
-15.5445 -15.5445 -15.5423 -15.5423 -8.4035 -8.4035 -8.0437 -8.0437
-7.7828 -7.7828 -7.7362 -7.7362 -7.7305 -7.7305 -7.6984 -7.6984
-4.3134 -4.3134 -4.2978 -4.2978 -2.8988 -2.8988 -2.8764 -2.8764
-2.8622 -2.8622 -2.8448 -2.8448 -1.5595 -1.5595 -1.3587 -1.3587
-1.0917 -1.0917 -0.6037 -0.6037 -0.3951 -0.3951 -0.1554 -0.1554
-0.0104 -0.0104 0.3087 0.3087 0.3767 0.3767 0.6708 0.6708
1.1022 1.1022 1.2840 1.2840 1.3540 1.3540 1.9403 1.9403
2.2537 2.2537 2.3370 2.3370 2.4690 2.4690 2.5609 2.5609
2.7209 2.7209 2.8513 2.8513 2.9354 2.9354 3.0332 3.0332
3.2236 3.2236 3.4955 3.4955 3.6163 3.6163 3.7720 3.7720
3.9925 3.9925 4.7972 4.7972 6.4847 6.4847 7.9914 7.9914
8.6612 8.6612 8.7316 8.7316 8.7968 8.7968 8.8545 8.8545
9.0433 9.0433
k =-0.1837 0.1896 0.2640 ( 33852 PWs) bands (ev):
-15.5446 -15.5446 -15.5422 -15.5422 -8.4129 -8.4129 -8.0298 -8.0298
-7.7847 -7.7847 -7.7349 -7.7349 -7.7312 -7.7312 -7.6978 -7.6978
-4.3159 -4.3159 -4.2984 -4.2984 -2.9028 -2.9028 -2.8818 -2.8818
-2.8627 -2.8627 -2.8461 -2.8461 -1.5600 -1.5600 -1.3894 -1.3894
-1.0887 -1.0887 -0.6042 -0.6042 -0.4008 -0.4008 -0.1327 -0.1327
-0.0014 -0.0014 0.3257 0.3257 0.3732 0.3732 0.6759 0.6759
1.0900 1.0900 1.2841 1.2841 1.3502 1.3502 1.9322 1.9322
2.2631 2.2631 2.3302 2.3302 2.4769 2.4769 2.5736 2.5736
2.7244 2.7244 2.8626 2.8626 2.9492 2.9492 3.0372 3.0372
3.2302 3.2302 3.4973 3.4973 3.6397 3.6397 3.7864 3.7864
3.9795 3.9795 4.8437 4.8437 6.4578 6.4578 8.0200 8.0200
8.5904 8.5904 8.6645 8.6645 8.7388 8.7388 8.8100 8.8100
9.0063 9.0063
k =-0.1705 0.1760 0.2451 ( 33860 PWs) bands (ev):
-15.5447 -15.5447 -15.5421 -15.5421 -8.4222 -8.4222 -8.0153 -8.0153
-7.7869 -7.7869 -7.7356 -7.7356 -7.7300 -7.7300 -7.6970 -7.6970
-4.3185 -4.3185 -4.2990 -4.2990 -2.9067 -2.9067 -2.8873 -2.8873
-2.8631 -2.8631 -2.8476 -2.8476 -1.5606 -1.5606 -1.4214 -1.4214
-1.0863 -1.0863 -0.6052 -0.6052 -0.4054 -0.4054 -0.1098 -0.1098
0.0093 0.0093 0.3458 0.3458 0.3708 0.3708 0.6816 0.6816
1.0777 1.0777 1.2835 1.2835 1.3453 1.3453 1.9221 1.9221
2.2674 2.2674 2.3299 2.3299 2.4843 2.4843 2.5862 2.5862
2.7260 2.7260 2.8742 2.8742 2.9625 2.9625 3.0423 3.0423
3.2371 3.2371 3.4958 3.4958 3.6651 3.6651 3.8011 3.8011
3.9604 3.9604 4.8982 4.8982 6.4390 6.4390 8.0435 8.0435
8.5203 8.5203 8.6013 8.6013 8.6831 8.6831 8.7704 8.7704
8.9655 8.9655
k =-0.1574 0.1625 0.2262 ( 33884 PWs) bands (ev):
-15.5448 -15.5448 -15.5420 -15.5420 -8.4314 -8.4314 -8.0003 -8.0003
-7.7892 -7.7892 -7.7378 -7.7378 -7.7277 -7.7277 -7.6963 -7.6963
-4.3210 -4.3210 -4.2997 -4.2997 -2.9106 -2.9106 -2.8930 -2.8930
-2.8635 -2.8635 -2.8492 -2.8492 -1.5614 -1.5614 -1.4538 -1.4538
-1.0843 -1.0843 -0.6066 -0.6066 -0.4091 -0.4091 -0.0879 -0.0879
0.0213 0.0213 0.3610 0.3610 0.3776 0.3776 0.6877 0.6877
1.0655 1.0655 1.2822 1.2822 1.3392 1.3392 1.9098 1.9098
2.2683 2.2683 2.3351 2.3351 2.4914 2.4914 2.5984 2.5984
2.7257 2.7257 2.8859 2.8859 2.9742 2.9742 3.0484 3.0484
3.2447 3.2447 3.4916 3.4916 3.6911 3.6911 3.8161 3.8161
3.9369 3.9369 4.9592 4.9592 6.4273 6.4273 8.0592 8.0592
8.4524 8.4524 8.5427 8.5427 8.6292 8.6292 8.7376 8.7376
8.9213 8.9213
k =-0.1443 0.1489 0.2074 ( 33868 PWs) bands (ev):
-15.5450 -15.5450 -15.5419 -15.5419 -8.4402 -8.4402 -7.9850 -7.9850
-7.7916 -7.7916 -7.7409 -7.7409 -7.7252 -7.7252 -7.6955 -7.6955
-4.3235 -4.3235 -4.3004 -4.3004 -2.9143 -2.9143 -2.8986 -2.8986
-2.8639 -2.8639 -2.8510 -2.8510 -1.5621 -1.5621 -1.4860 -1.4860
-1.0828 -1.0828 -0.6081 -0.6081 -0.4120 -0.4120 -0.0674 -0.0674
0.0344 0.0344 0.3612 0.3612 0.4033 0.4033 0.6940 0.6940
1.0535 1.0535 1.2801 1.2801 1.3320 1.3320 1.8955 1.8955
2.2693 2.2693 2.3430 2.3430 2.4984 2.4984 2.6102 2.6102
2.7242 2.7242 2.8975 2.8975 2.9839 2.9839 3.0554 3.0554
3.2533 3.2533 3.4853 3.4853 3.7157 3.7157 3.8312 3.8312
3.9111 3.9111 5.0254 5.0254 6.4216 6.4216 8.0650 8.0650
8.3881 8.3881 8.4889 8.4889 8.5774 8.5774 8.7117 8.7117
8.8747 8.8747
k =-0.1312 0.1354 0.1885 ( 33869 PWs) bands (ev):
-15.5451 -15.5451 -15.5418 -15.5418 -8.4486 -8.4486 -7.9697 -7.9697
-7.7940 -7.7940 -7.7445 -7.7445 -7.7226 -7.7226 -7.6948 -7.6948
-4.3260 -4.3260 -4.3012 -4.3012 -2.9178 -2.9178 -2.9040 -2.9040
-2.8642 -2.8642 -2.8529 -2.8529 -1.5630 -1.5630 -1.5172 -1.5172
-1.0817 -1.0817 -0.6099 -0.6099 -0.4143 -0.4143 -0.0490 -0.0490
0.0482 0.0482 0.3596 0.3596 0.4343 0.4343 0.7006 0.7006
1.0418 1.0418 1.2769 1.2769 1.3236 1.3236 1.8797 1.8797
2.2724 2.2724 2.3514 2.3514 2.5050 2.5050 2.6215 2.6215
2.7219 2.7219 2.9087 2.9087 2.9913 2.9913 3.0628 3.0628
3.2628 3.2628 3.4775 3.4775 3.7358 3.7358 3.8462 3.8462
3.8870 3.8870 5.0950 5.0950 6.4206 6.4206 8.0595 8.0595
8.3287 8.3287 8.4400 8.4400 8.5282 8.5282 8.6906 8.6906
8.8271 8.8271
k =-0.1181 0.1219 0.1697 ( 33857 PWs) bands (ev):
-15.5452 -15.5452 -15.5417 -15.5417 -8.4564 -8.4564 -7.9545 -7.9545
-7.7964 -7.7964 -7.7486 -7.7486 -7.7201 -7.7201 -7.6941 -7.6941
-4.3283 -4.3283 -4.3019 -4.3019 -2.9212 -2.9212 -2.9091 -2.9091
-2.8646 -2.8646 -2.8548 -2.8548 -1.5642 -1.5642 -1.5467 -1.5467
-1.0809 -1.0809 -0.6117 -0.6117 -0.4160 -0.4160 -0.0328 -0.0328
0.0625 0.0625 0.3583 0.3583 0.4676 0.4676 0.7072 0.7072
1.0307 1.0307 1.2728 1.2728 1.3143 1.3143 1.8632 1.8632
2.2781 2.2781 2.3594 2.3594 2.5112 2.5112 2.6323 2.6323
2.7195 2.7195 2.9192 2.9192 2.9963 2.9963 3.0703 3.0703
3.2731 3.2731 3.4687 3.4687 3.7459 3.7459 3.8609 3.8609
3.8707 3.8707 5.1667 5.1667 6.4231 6.4231 8.0434 8.0434
8.2747 8.2747 8.3963 8.3963 8.4824 8.4824 8.6714 8.6714
8.7800 8.7800
k =-0.1050 0.1083 0.1508 ( 33857 PWs) bands (ev):
-15.5453 -15.5453 -15.5416 -15.5416 -8.4636 -8.4636 -7.9394 -7.9394
-7.7988 -7.7988 -7.7532 -7.7532 -7.7178 -7.7178 -7.6934 -7.6934
-4.3305 -4.3305 -4.3026 -4.3026 -2.9245 -2.9245 -2.9139 -2.9139
-2.8650 -2.8650 -2.8566 -2.8566 -1.5758 -1.5758 -1.5637 -1.5637
-1.0802 -1.0802 -0.6136 -0.6136 -0.4173 -0.4173 -0.0188 -0.0188
0.0769 0.0769 0.3574 0.3574 0.5019 0.5019 0.7141 0.7141
1.0202 1.0202 1.2677 1.2677 1.3041 1.3041 1.8466 1.8466
2.2864 2.2864 2.3665 2.3665 2.5166 2.5166 2.6422 2.6422
2.7175 2.7175 2.9286 2.9286 2.9992 2.9992 3.0775 3.0775
3.2839 3.2839 3.4593 3.4593 3.7407 3.7407 3.8680 3.8680
3.8756 3.8756 5.2386 5.2386 6.4281 6.4281 8.0188 8.0188
8.2263 8.2263 8.3577 8.3577 8.4409 8.4409 8.6512 8.6512
8.7347 8.7347
k =-0.0918 0.0948 0.1320 ( 33875 PWs) bands (ev):
-15.5454 -15.5454 -15.5416 -15.5416 -8.4700 -8.4700 -7.9247 -7.9247
-7.8011 -7.8011 -7.7582 -7.7582 -7.7156 -7.7156 -7.6927 -7.6927
-4.3325 -4.3325 -4.3033 -4.3033 -2.9275 -2.9275 -2.9183 -2.9183
-2.8653 -2.8653 -2.8584 -2.8584 -1.6007 -1.6007 -1.5650 -1.5650
-1.0798 -1.0798 -0.6153 -0.6153 -0.4182 -0.4182 -0.0069 -0.0069
0.0910 0.0910 0.3571 0.3571 0.5357 0.5357 0.7211 0.7211
1.0105 1.0105 1.2616 1.2616 1.2935 1.2935 1.8308 1.8308
2.2967 2.2967 2.3725 2.3725 2.5209 2.5209 2.6510 2.6510
2.7168 2.7168 2.9364 2.9364 3.0004 3.0004 3.0843 3.0843
3.2947 3.2947 3.4496 3.4496 3.7233 3.7233 3.8767 3.8767
3.8900 3.8900 5.3090 5.3090 6.4344 6.4344 7.9893 7.9893
8.1831 8.1831 8.3238 8.3238 8.4043 8.4043 8.6284 8.6284
8.6920 8.6920
k =-0.0787 0.0812 0.1131 ( 33889 PWs) bands (ev):
-15.5454 -15.5454 -15.5415 -15.5415 -8.4757 -8.4757 -7.9105 -7.9105
-7.8034 -7.8034 -7.7635 -7.7635 -7.7137 -7.7137 -7.6921 -7.6921
-4.3344 -4.3344 -4.3039 -4.3039 -2.9304 -2.9304 -2.9220 -2.9220
-2.8656 -2.8656 -2.8600 -2.8600 -1.6232 -1.6232 -1.5658 -1.5658
-1.0795 -1.0795 -0.6170 -0.6170 -0.4190 -0.4190 0.0029 0.0029
0.1044 0.1044 0.3573 0.3573 0.5676 0.5676 0.7285 0.7285
1.0018 1.0018 1.2548 1.2548 1.2828 1.2828 1.8162 1.8162
2.3084 2.3084 2.3775 2.3775 2.5239 2.5239 2.6582 2.6582
2.7179 2.7179 2.9418 2.9418 3.0008 3.0008 3.0905 3.0905
3.3051 3.3051 3.4399 3.4399 3.7014 3.7014 3.8892 3.8892
3.9047 3.9047 5.3761 5.3761 6.4413 6.4413 7.9582 7.9582
8.1446 8.1446 8.2946 8.2946 8.3733 8.3733 8.6030 8.6030
8.6526 8.6526
k =-0.0656 0.0677 0.0943 ( 33871 PWs) bands (ev):
-15.5455 -15.5455 -15.5415 -15.5415 -8.4807 -8.4807 -7.8969 -7.8969
-7.8058 -7.8058 -7.7690 -7.7690 -7.7120 -7.7120 -7.6916 -7.6916
-4.3360 -4.3360 -4.3045 -4.3045 -2.9330 -2.9330 -2.9252 -2.9252
-2.8660 -2.8660 -2.8614 -2.8614 -1.6429 -1.6429 -1.5665 -1.5665
-1.0792 -1.0792 -0.6185 -0.6185 -0.4195 -0.4195 0.0108 0.0108
0.1165 0.1165 0.3580 0.3580 0.5960 0.5960 0.7365 0.7365
0.9943 0.9943 1.2477 1.2477 1.2723 1.2723 1.8035 1.8035
2.3208 2.3208 2.3813 2.3813 2.5255 2.5255 2.6636 2.6636
2.7212 2.7212 2.9442 2.9442 3.0011 3.0011 3.0958 3.0958
3.3147 3.3147 3.4306 3.4306 3.6799 3.6799 3.9009 3.9009
3.9194 3.9194 5.4379 5.4379 6.4481 6.4481 7.9284 7.9284
8.1105 8.1105 8.2698 8.2698 8.3482 8.3482 8.5756 8.5756
8.6174 8.6174
k =-0.0525 0.0542 0.0754 ( 33879 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4847 -8.4847 -7.8841 -7.8841
-7.8085 -7.8085 -7.7744 -7.7744 -7.7106 -7.7106 -7.6912 -7.6912
-4.3373 -4.3373 -4.3050 -4.3050 -2.9353 -2.9353 -2.9277 -2.9277
-2.8663 -2.8663 -2.8625 -2.8625 -1.6592 -1.6592 -1.5671 -1.5671
-1.0791 -1.0791 -0.6197 -0.6197 -0.4198 -0.4198 0.0171 0.0171
0.1271 0.1271 0.3591 0.3591 0.6194 0.6194 0.7452 0.7452
0.9881 0.9881 1.2406 1.2406 1.2627 1.2627 1.7928 1.7928
2.3331 2.3331 2.3839 2.3839 2.5258 2.5258 2.6672 2.6672
2.7262 2.7262 2.9432 2.9432 3.0021 3.0021 3.1003 3.1003
3.3231 3.3231 3.4221 3.4221 3.6613 3.6613 3.9105 3.9105
3.9331 3.9331 5.4923 5.4923 6.4543 6.4543 7.9021 7.9021
8.0810 8.0810 8.2495 8.2495 8.3288 8.3288 8.5473 8.5473
8.5875 8.5875
k =-0.0394 0.0406 0.0566 ( 33871 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4879 -8.4879 -7.8723 -7.8723
-7.8117 -7.8117 -7.7794 -7.7794 -7.7095 -7.7095 -7.6908 -7.6908
-4.3384 -4.3384 -4.3054 -4.3054 -2.9373 -2.9373 -2.9296 -2.9296
-2.8667 -2.8667 -2.8634 -2.8634 -1.6721 -1.6721 -1.5675 -1.5675
-1.0790 -1.0790 -0.6208 -0.6208 -0.4201 -0.4201 0.0218 0.0218
0.1357 0.1357 0.3603 0.3603 0.6371 0.6371 0.7542 0.7542
0.9833 0.9833 1.2341 1.2341 1.2544 1.2544 1.7844 1.7844
2.3446 2.3446 2.3854 2.3854 2.5252 2.5252 2.6696 2.6696
2.7322 2.7322 2.9398 2.9398 3.0037 3.0037 3.1038 3.1038
3.3301 3.3301 3.4148 3.4148 3.6465 3.6465 3.9180 3.9180
3.9448 3.9448 5.5373 5.5373 6.4595 6.4595 7.8805 7.8805
8.0567 8.0567 8.2338 8.2338 8.3149 8.3149 8.5197 8.5197
8.5642 8.5642
k =-0.0262 0.0271 0.0377 ( 33849 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4902 -8.4902 -7.8620 -7.8620
-7.8153 -7.8153 -7.7833 -7.7833 -7.7087 -7.7087 -7.6905 -7.6905
-4.3391 -4.3391 -4.3057 -4.3057 -2.9388 -2.9388 -2.9309 -2.9309
-2.8670 -2.8670 -2.8639 -2.8639 -1.6815 -1.6815 -1.5679 -1.5679
-1.0789 -1.0789 -0.6215 -0.6215 -0.4202 -0.4202 0.0250 0.0250
0.1421 0.1421 0.3614 0.3614 0.6489 0.6489 0.7623 0.7623
0.9800 0.9800 1.2289 1.2289 1.2480 1.2480 1.7783 1.7783
2.3544 2.3544 2.3857 2.3857 2.5241 2.5241 2.6710 2.6710
2.7378 2.7378 2.9353 2.9353 3.0055 3.0055 3.1064 3.1064
3.3353 3.3353 3.4093 3.4093 3.6359 3.6359 3.9233 3.9233
3.9535 3.9535 5.5710 5.5710 6.4634 6.4634 7.8647 7.8647
8.0383 8.0383 8.2225 8.2225 8.3057 8.3057 8.4962 8.4962
8.5476 8.5476
k =-0.0131 0.0135 0.0189 ( 33863 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4916 -8.4916 -7.8542 -7.8542
-7.8190 -7.8190 -7.7858 -7.7858 -7.7082 -7.7082 -7.6904 -7.6904
-4.3396 -4.3396 -4.3058 -4.3058 -2.9397 -2.9397 -2.9317 -2.9317
-2.8673 -2.8673 -2.8642 -2.8642 -1.6871 -1.6871 -1.5681 -1.5681
-1.0789 -1.0789 -0.6220 -0.6220 -0.4203 -0.4203 0.0270 0.0270
0.1459 0.1459 0.3621 0.3621 0.6555 0.6555 0.7681 0.7681
0.9780 0.9780 1.2255 1.2255 1.2439 1.2439 1.7746 1.7746
2.3613 2.3613 2.3852 2.3852 2.5231 2.5231 2.6717 2.6717
2.7419 2.7419 2.9317 2.9317 3.0068 3.0068 3.1079 3.1079
3.3385 3.3385 3.4058 3.4058 3.6295 3.6295 3.9266 3.9266
3.9589 3.9589 5.5919 5.5919 6.4659 6.4659 7.8550 7.8550
8.0269 8.0269 8.2158 8.2158 8.3005 8.3005 8.4804 8.4804
8.5377 8.5377
k = 0.0000 0.0000 0.0000 ( 33857 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4920 -8.4920 -7.8510 -7.8510
-7.8207 -7.8207 -7.7866 -7.7866 -7.7080 -7.7080 -7.6903 -7.6903
-4.3398 -4.3398 -4.3059 -4.3059 -2.9400 -2.9400 -2.9320 -2.9320
-2.8674 -2.8674 -2.8643 -2.8643 -1.6890 -1.6890 -1.5682 -1.5682
-1.0789 -1.0789 -0.6221 -0.6221 -0.4204 -0.4204 0.0276 0.0276
0.1473 0.1473 0.3624 0.3624 0.6577 0.6577 0.7701 0.7701
0.9774 0.9774 1.2243 1.2243 1.2425 1.2425 1.7734 1.7734
2.3640 2.3640 2.3848 2.3848 2.5227 2.5227 2.6720 2.6720
2.7434 2.7434 2.9304 2.9304 3.0073 3.0073 3.1084 3.1084
3.3396 3.3396 3.4046 3.4046 3.6274 3.6274 3.9276 3.9276
3.9607 3.9607 5.5990 5.5990 6.4667 6.4667 7.8518 7.8518
8.0230 8.0230 8.2136 8.2136 8.2989 8.2989 8.4749 8.4749
8.5344 8.5344
k = 0.0000 0.0000 0.0000 ( 33857 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4920 -8.4920 -7.8510 -7.8510
-7.8207 -7.8207 -7.7866 -7.7866 -7.7080 -7.7080 -7.6903 -7.6903
-4.3398 -4.3398 -4.3059 -4.3059 -2.9400 -2.9400 -2.9320 -2.9320
-2.8674 -2.8674 -2.8643 -2.8643 -1.6890 -1.6890 -1.5682 -1.5682
-1.0789 -1.0789 -0.6221 -0.6221 -0.4204 -0.4204 0.0276 0.0276
0.1473 0.1473 0.3624 0.3624 0.6577 0.6577 0.7701 0.7701
0.9774 0.9774 1.2243 1.2243 1.2425 1.2425 1.7734 1.7734
2.3640 2.3640 2.3848 2.3848 2.5227 2.5227 2.6720 2.6720
2.7434 2.7434 2.9304 2.9304 3.0073 3.0073 3.1084 3.1084
3.3396 3.3396 3.4046 3.4046 3.6274 3.6274 3.9276 3.9276
3.9607 3.9607 5.5990 5.5990 6.4667 6.4667 7.8518 7.8518
8.0230 8.0230 8.2136 8.2136 8.2989 8.2989 8.4749 8.4749
8.5344 8.5344
k = 0.0192 0.0186-0.0000 ( 33845 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4917 -8.4917 -7.8518 -7.8518
-7.8207 -7.8207 -7.7867 -7.7867 -7.7080 -7.7080 -7.6901 -7.6901
-4.3396 -4.3396 -4.3058 -4.3058 -2.9397 -2.9397 -2.9317 -2.9317
-2.8673 -2.8673 -2.8642 -2.8642 -1.6880 -1.6880 -1.5682 -1.5682
-1.0779 -1.0779 -0.6223 -0.6223 -0.4218 -0.4218 0.0280 0.0280
0.1474 0.1474 0.3624 0.3624 0.6578 0.6578 0.7688 0.7688
0.9688 0.9688 1.2241 1.2241 1.2531 1.2531 1.7733 1.7733
2.3621 2.3621 2.3843 2.3843 2.5242 2.5242 2.6703 2.6703
2.7430 2.7430 2.9314 2.9314 3.0064 3.0064 3.1092 3.1092
3.3380 3.3380 3.4033 3.4033 3.6270 3.6270 3.9255 3.9255
3.9603 3.9603 5.5988 5.5988 6.4618 6.4618 7.8511 7.8511
8.0320 8.0320 8.2170 8.2170 8.3015 8.3015 8.4809 8.4809
8.5376 8.5376
k = 0.0385 0.0373-0.0000 ( 33849 PWs) bands (ev):
-15.5457 -15.5457 -15.5414 -15.5414 -8.4908 -8.4908 -7.8539 -7.8539
-7.8208 -7.8208 -7.7868 -7.7868 -7.7080 -7.7080 -7.6895 -7.6895
-4.3392 -4.3392 -4.3057 -4.3057 -2.9390 -2.9390 -2.9307 -2.9307
-2.8670 -2.8670 -2.8640 -2.8640 -1.6851 -1.6851 -1.5682 -1.5682
-1.0748 -1.0748 -0.6228 -0.6228 -0.4260 -0.4260 0.0293 0.0293
0.1478 0.1478 0.3624 0.3624 0.6580 0.6580 0.7642 0.7642
0.9475 0.9475 1.2234 1.2234 1.2808 1.2808 1.7729 1.7729
2.3567 2.3567 2.3826 2.3826 2.5282 2.5282 2.6655 2.6655
2.7418 2.7418 2.9341 2.9341 3.0038 3.0038 3.1116 3.1116
3.3332 3.3332 3.3992 3.3992 3.6258 3.6258 3.9190 3.9190
3.9589 3.9589 5.5984 5.5984 6.4477 6.4477 7.8515 7.8515
8.0565 8.0565 8.2272 8.2272 8.3093 8.3093 8.4990 8.4990
8.5472 8.5472
k = 0.0577 0.0559-0.0000 ( 33861 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4893 -8.4893 -7.8574 -7.8574
-7.8209 -7.8209 -7.7871 -7.7871 -7.7079 -7.7079 -7.6885 -7.6885
-4.3384 -4.3384 -4.3054 -4.3054 -2.9379 -2.9379 -2.9291 -2.9291
-2.8665 -2.8665 -2.8637 -2.8637 -1.6805 -1.6805 -1.5683 -1.5683
-1.0697 -1.0697 -0.6237 -0.6237 -0.4330 -0.4330 0.0314 0.0314
0.1484 0.1484 0.3624 0.3624 0.6584 0.6584 0.7552 0.7552
0.9222 0.9222 1.2223 1.2223 1.3183 1.3183 1.7722 1.7722
2.3484 2.3484 2.3799 2.3799 2.5339 2.5339 2.6583 2.6583
2.7398 2.7398 2.9382 2.9382 2.9996 2.9996 3.1155 3.1155
3.3254 3.3254 3.3922 3.3922 3.6239 3.6239 3.9085 3.9085
3.9568 3.9568 5.5977 5.5977 6.4259 6.4259 7.8570 7.8570
8.0912 8.0912 8.2441 8.2441 8.3223 8.3223 8.5287 8.5287
8.5630 8.5630
k = 0.0769 0.0745-0.0000 ( 33837 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4872 -8.4872 -7.8620 -7.8620
-7.8211 -7.8211 -7.7874 -7.7874 -7.7078 -7.7078 -7.6873 -7.6873
-4.3374 -4.3374 -4.3050 -4.3050 -2.9363 -2.9363 -2.9270 -2.9270
-2.8658 -2.8658 -2.8632 -2.8632 -1.6742 -1.6742 -1.5684 -1.5684
-1.0628 -1.0628 -0.6249 -0.6249 -0.4426 -0.4426 0.0344 0.0344
0.1493 0.1493 0.3625 0.3625 0.6590 0.6590 0.7401 0.7401
0.8999 0.8999 1.2208 1.2208 1.3602 1.3602 1.7713 1.7713
2.3377 2.3377 2.3761 2.3761 2.5399 2.5399 2.6497 2.6497
2.7372 2.7372 2.9428 2.9428 2.9941 2.9941 3.1206 3.1206
3.3146 3.3146 3.3820 3.3820 3.6210 3.6210 3.8941 3.8941
3.9539 3.9539 5.5967 5.5967 6.3988 6.3988 7.8709 7.8709
8.1316 8.1316 8.2676 8.2676 8.3406 8.3406 8.5691 8.5691
8.5849 8.5849
k = 0.0962 0.0932-0.0000 ( 33821 PWs) bands (ev):
-15.5456 -15.5456 -15.5414 -15.5414 -8.4845 -8.4845 -7.8676 -7.8676
-7.8213 -7.8213 -7.7878 -7.7878 -7.7077 -7.7077 -7.6859 -7.6859
-4.3362 -4.3362 -4.3045 -4.3045 -2.9343 -2.9343 -2.9242 -2.9242
-2.8649 -2.8649 -2.8627 -2.8627 -1.6664 -1.6664 -1.5685 -1.5685
-1.0540 -1.0540 -0.6264 -0.6264 -0.4544 -0.4544 0.0382 0.0382
0.1503 0.1503 0.3627 0.3627 0.6598 0.6598 0.7185 0.7185
0.8845 0.8845 1.2189 1.2189 1.4033 1.4033 1.7701 1.7701
2.3251 2.3251 2.3715 2.3715 2.5446 2.5446 2.6415 2.6415
2.7338 2.7338 2.9474 2.9474 2.9873 2.9873 3.1268 3.1268
3.3010 3.3010 3.3682 3.3682 3.6172 3.6172 3.8763 3.8763
3.9503 3.9503 5.5955 5.5955 6.3693 6.3693 7.8945 7.8945
8.1748 8.1748 8.2974 8.2974 8.3642 8.3642 8.6129 8.6129
8.6190 8.6190
k = 0.1154 0.1118-0.0000 ( 33837 PWs) bands (ev):
-15.5455 -15.5455 -15.5415 -15.5415 -8.4814 -8.4814 -7.8740 -7.8740
-7.8216 -7.8216 -7.7883 -7.7883 -7.7076 -7.7076 -7.6846 -7.6846
-4.3346 -4.3346 -4.3039 -4.3039 -2.9319 -2.9319 -2.9210 -2.9210
-2.8638 -2.8638 -2.8620 -2.8620 -1.6575 -1.6575 -1.5686 -1.5686
-1.0436 -1.0436 -0.6283 -0.6283 -0.4681 -0.4681 0.0429 0.0429
0.1514 0.1514 0.3631 0.3631 0.6606 0.6606 0.6920 0.6920
0.8761 0.8761 1.2166 1.2166 1.4458 1.4458 1.7687 1.7687
2.3111 2.3111 2.3660 2.3660 2.5457 2.5457 2.6357 2.6357
2.7299 2.7299 2.9512 2.9512 2.9794 2.9794 3.1338 3.1338
3.2849 3.2849 3.3504 3.3504 3.6124 3.6124 3.8556 3.8556
3.9462 3.9462 5.5941 5.5941 6.3405 6.3405 7.9280 7.9280
8.2195 8.2195 8.3334 8.3334 8.3926 8.3926 8.6466 8.6466
8.6769 8.6769
k = 0.1346 0.1304-0.0000 ( 33857 PWs) bands (ev):
-15.5454 -15.5454 -15.5415 -15.5415 -8.4777 -8.4777 -7.8810 -7.8810
-7.8220 -7.8220 -7.7888 -7.7888 -7.7074 -7.7074 -7.6834 -7.6834
-4.3329 -4.3329 -4.3032 -4.3032 -2.9291 -2.9291 -2.9172 -2.9172
-2.8626 -2.8626 -2.8612 -2.8612 -1.6477 -1.6477 -1.5688 -1.5688
-1.0320 -1.0320 -0.6304 -0.6304 -0.4833 -0.4833 0.0483 0.0483
0.1526 0.1526 0.3636 0.3636 0.6616 0.6616 0.6639 0.6639
0.8731 0.8731 1.2141 1.2141 1.4865 1.4865 1.7670 1.7670
2.2959 2.2959 2.3599 2.3599 2.5416 2.5416 2.6338 2.6338
2.7254 2.7254 2.9537 2.9537 2.9707 2.9707 3.1416 3.1416
3.2664 3.2664 3.3282 3.3282 3.6064 3.6064 3.8326 3.8326
3.9416 3.9416 5.5926 5.5926 6.3158 6.3158 7.9707 7.9707
8.2652 8.2652 8.3751 8.3751 8.4254 8.4254 8.6858 8.6858
8.7406 8.7406
k = 0.1538 0.1491-0.0000 ( 33873 PWs) bands (ev):
-15.5454 -15.5454 -15.5415 -15.5415 -8.4737 -8.4737 -7.8884 -7.8884
-7.8225 -7.8225 -7.7894 -7.7894 -7.7073 -7.7073 -7.6824 -7.6824
-4.3310 -4.3310 -4.3024 -4.3024 -2.9261 -2.9261 -2.9130 -2.9130
-2.8612 -2.8612 -2.8603 -2.8603 -1.6373 -1.6373 -1.5690 -1.5690
-1.0195 -1.0195 -0.6328 -0.6328 -0.4991 -0.4991 0.0543 0.0543
0.1538 0.1538 0.3644 0.3644 0.6367 0.6367 0.6626 0.6626
0.8737 0.8737 1.2113 1.2113 1.5248 1.5248 1.7652 1.7652
2.2796 2.2796 2.3533 2.3533 2.5322 2.5322 2.6360 2.6360
2.7204 2.7204 2.9545 2.9545 2.9614 2.9614 3.1498 3.1498
3.2458 3.2458 3.3011 3.3011 3.5990 3.5990 3.8080 3.8080
3.9366 3.9366 5.5909 5.5909 6.2982 6.2982 8.0218 8.0218
8.3121 8.3121 8.4223 8.4223 8.4619 8.4619 8.7301 8.7301
8.8079 8.8079
k = 0.1731 0.1677-0.0000 ( 33889 PWs) bands (ev):
-15.5453 -15.5453 -15.5416 -15.5416 -8.4693 -8.4693 -7.8960 -7.8960
-7.8231 -7.8231 -7.7901 -7.7901 -7.7071 -7.7071 -7.6817 -7.6817
-4.3288 -4.3288 -4.3016 -4.3016 -2.9227 -2.9227 -2.9084 -2.9084
-2.8597 -2.8597 -2.8593 -2.8593 -1.6265 -1.6265 -1.5692 -1.5692
-1.0069 -1.0069 -0.6354 -0.6354 -0.5147 -0.5147 0.0608 0.0608
0.1549 0.1549 0.3655 0.3655 0.6127 0.6127 0.6637 0.6637
0.8766 0.8766 1.2083 1.2083 1.5604 1.5604 1.7631 1.7631
2.2621 2.2621 2.3462 2.3462 2.5189 2.5189 2.6407 2.6407
2.7151 2.7151 2.9515 2.9515 2.9536 2.9536 3.1582 3.1582
3.2232 3.2232 3.2689 3.2689 3.5899 3.5899 3.7827 3.7827
3.9311 3.9311 5.5892 5.5892 6.2905 6.2905 8.0796 8.0796
8.3605 8.3605 8.4745 8.4745 8.5014 8.5014 8.7792 8.7792
8.8761 8.8761
k = 0.1923 0.1863-0.0000 ( 33821 PWs) bands (ev):
-15.5452 -15.5452 -15.5416 -15.5416 -8.4646 -8.4646 -7.9037 -7.9037
-7.8236 -7.8236 -7.7908 -7.7908 -7.7069 -7.7069 -7.6813 -7.6813
-4.3266 -4.3266 -4.3007 -4.3007 -2.9192 -2.9192 -2.9035 -2.9035
-2.8582 -2.8582 -2.8580 -2.8580 -1.6157 -1.6157 -1.5694 -1.5694
-0.9950 -0.9950 -0.6382 -0.6382 -0.5291 -0.5291 0.0675 0.0675
0.1559 0.1559 0.3669 0.3669 0.5932 0.5932 0.6649 0.6649
0.8810 0.8810 1.2051 1.2051 1.5929 1.5929 1.7609 1.7609
2.2433 2.2433 2.3389 2.3389 2.5033 2.5033 2.6459 2.6459
2.7095 2.7095 2.9414 2.9414 2.9506 2.9506 3.1666 3.1666
3.1992 3.1992 3.2316 3.2316 3.5789 3.5789 3.7576 3.7576
3.9252 3.9252 5.5874 5.5874 6.2949 6.2949 8.1425 8.1425
8.4112 8.4112 8.5313 8.5313 8.5428 8.5428 8.8326 8.8326
8.9335 8.9335
k = 0.2115 0.2049-0.0000 ( 33857 PWs) bands (ev):
-15.5452 -15.5452 -15.5417 -15.5417 -8.4597 -8.4597 -7.9114 -7.9114
-7.8242 -7.8242 -7.7915 -7.7915 -7.7067 -7.7067 -7.6813 -7.6813
-4.3242 -4.3242 -4.2998 -4.2998 -2.9155 -2.9155 -2.8983 -2.8983
-2.8572 -2.8572 -2.8563 -2.8563 -1.6050 -1.6050 -1.5696 -1.5696
-0.9849 -0.9849 -0.6412 -0.6412 -0.5410 -0.5410 0.0742 0.0742
0.1567 0.1567 0.3687 0.3687 0.5796 0.5796 0.6660 0.6660
0.8864 0.8864 1.2019 1.2019 1.6224 1.6224 1.7585 1.7585
2.2232 2.2232 2.3315 2.3315 2.4865 2.4865 2.6502 2.6502
2.7037 2.7037 2.9311 2.9311 2.9457 2.9457 3.1739 3.1739
3.1747 3.1747 3.1897 3.1897 3.5656 3.5656 3.7338 3.7338
3.9190 3.9190 5.5855 5.5855 6.3128 6.3128 8.2082 8.2082
8.4650 8.4650 8.5854 8.5854 8.5921 8.5921 8.8896 8.8896
8.9872 8.9872
k = 0.2308 0.2236-0.0000 ( 33809 PWs) bands (ev):
-15.5451 -15.5451 -15.5418 -15.5418 -8.4546 -8.4546 -7.9189 -7.9189
-7.8249 -7.8249 -7.7923 -7.7923 -7.7064 -7.7064 -7.6817 -7.6817
-4.3218 -4.3218 -4.2988 -4.2988 -2.9116 -2.9116 -2.8930 -2.8930
-2.8560 -2.8560 -2.8545 -2.8545 -1.5948 -1.5948 -1.5699 -1.5699
-0.9775 -0.9775 -0.6443 -0.6443 -0.5493 -0.5493 0.0803 0.0803
0.1573 0.1573 0.3709 0.3709 0.5727 0.5727 0.6671 0.6671
0.8924 0.8924 1.1986 1.1986 1.6488 1.6488 1.7559 1.7559
2.2013 2.2013 2.3241 2.3241 2.4692 2.4692 2.6522 2.6522
2.6978 2.6978 2.9209 2.9209 2.9389 2.9389 3.1436 3.1436
3.1486 3.1486 3.1822 3.1822 3.5499 3.5499 3.7120 3.7120
3.9126 3.9126 5.5837 5.5837 6.3453 6.3453 8.2741 8.2741
8.5225 8.5225 8.6285 8.6285 8.6562 8.6562 8.9496 8.9496
9.0352 9.0352
k = 0.2500 0.2422-0.0000 ( 33781 PWs) bands (ev):
-15.5450 -15.5450 -15.5418 -15.5418 -8.4495 -8.4495 -7.9261 -7.9261
-7.8255 -7.8255 -7.7930 -7.7930 -7.7062 -7.7062 -7.6824 -7.6824
-4.3193 -4.3193 -4.2978 -4.2978 -2.9077 -2.9077 -2.8875 -2.8875
-2.8549 -2.8549 -2.8527 -2.8527 -1.5850 -1.5850 -1.5701 -1.5701
-0.9739 -0.9739 -0.6474 -0.6474 -0.5530 -0.5530 0.0857 0.0857
0.1577 0.1577 0.3734 0.3734 0.5733 0.5733 0.6682 0.6682
0.8986 0.8986 1.1954 1.1954 1.6722 1.6722 1.7533 1.7533
2.1773 2.1773 2.3168 2.3168 2.4519 2.4519 2.6504 2.6504
2.6918 2.6918 2.9110 2.9110 2.9301 2.9301 3.0969 3.0969
3.1222 3.1222 3.1886 3.1886 3.5320 3.5320 3.6929 3.6929
3.9062 3.9062 5.5819 5.5819 6.3924 6.3924 8.3371 8.3371
8.5841 8.5841 8.6718 8.6718 8.7231 8.7231 9.0115 9.0115
9.0500 9.0500
k = 0.2692 0.2608-0.0000 ( 33828 PWs) bands (ev):
-15.5449 -15.5449 -15.5419 -15.5419 -8.4443 -8.4443 -7.9330 -7.9330
-7.8262 -7.8262 -7.7938 -7.7938 -7.7060 -7.7060 -7.6835 -7.6835
-4.3169 -4.3169 -4.2969 -4.2969 -2.9038 -2.9038 -2.8821 -2.8821
-2.8537 -2.8537 -2.8508 -2.8508 -1.5759 -1.5759 -1.5704 -1.5704
-0.9745 -0.9745 -0.6506 -0.6506 -0.5516 -0.5516 0.0900 0.0900
0.1579 0.1579 0.3762 0.3762 0.5821 0.5821 0.6693 0.6693
0.9051 0.9051 1.1923 1.1923 1.6926 1.6926 1.7506 1.7506
2.1508 2.1508 2.3097 2.3097 2.4347 2.4347 2.6432 2.6432
2.6859 2.6859 2.9015 2.9015 2.9195 2.9195 3.0509 3.0509
3.0966 3.0966 3.1935 3.1935 3.5129 3.5129 3.6765 3.6765
3.8998 3.8998 5.5802 5.5802 6.4538 6.4538 8.3944 8.3944
8.6482 8.6482 8.7162 8.7162 8.7919 8.7919 9.0504 9.0504
9.0742 9.0742
k = 0.2885 0.2795-0.0000 ( 33820 PWs) bands (ev):
-15.5448 -15.5448 -15.5419 -15.5419 -8.4393 -8.4393 -7.9394 -7.9394
-7.8269 -7.8269 -7.7946 -7.7946 -7.7058 -7.7058 -7.6849 -7.6849
-4.3144 -4.3144 -4.2959 -4.2959 -2.8999 -2.8999 -2.8766 -2.8766
-2.8526 -2.8526 -2.8490 -2.8490 -1.5707 -1.5707 -1.5675 -1.5675
-0.9794 -0.9794 -0.6538 -0.6538 -0.5454 -0.5454 0.0931 0.0931
0.1579 0.1579 0.3793 0.3793 0.5994 0.5994 0.6703 0.6703
0.9115 0.9115 1.1893 1.1893 1.7101 1.7101 1.7480 1.7480
2.1211 2.1211 2.3030 2.3030 2.4177 2.4177 2.6292 2.6292
2.6802 2.6802 2.8925 2.8925 2.9071 2.9071 3.0090 3.0090
3.0720 3.0720 3.1964 3.1964 3.4935 3.4935 3.6627 3.6627
3.8937 3.8937 5.5786 5.5786 6.5287 6.5287 8.4441 8.4441
8.7076 8.7076 8.7663 8.7663 8.8616 8.8616 9.0477 9.0477
9.1360 9.1360
k = 0.3077 0.2981-0.0000 ( 33852 PWs) bands (ev):
-15.5448 -15.5448 -15.5420 -15.5420 -8.4344 -8.4344 -7.9454 -7.9454
-7.8275 -7.8275 -7.7953 -7.7953 -7.7056 -7.7056 -7.6865 -7.6865
-4.3121 -4.3121 -4.2950 -4.2950 -2.8962 -2.8962 -2.8713 -2.8713
-2.8515 -2.8515 -2.8472 -2.8472 -1.5709 -1.5709 -1.5599 -1.5599
-0.9879 -0.9879 -0.6570 -0.6570 -0.5351 -0.5351 0.0949 0.0949
0.1576 0.1576 0.3825 0.3825 0.6255 0.6255 0.6712 0.6712
0.9179 0.9179 1.1865 1.1865 1.7245 1.7245 1.7453 1.7453
2.0875 2.0875 2.2967 2.2967 2.4005 2.4005 2.6077 2.6077
2.6746 2.6746 2.8843 2.8843 2.8935 2.8935 2.9740 2.9740
3.0492 3.0492 3.1968 3.1968 3.4752 3.4752 3.6509 3.6509
3.8879 3.8879 5.5770 5.5770 6.6159 6.6159 8.4854 8.4854
8.7517 8.7517 8.8278 8.8278 8.9314 8.9314 9.0501 9.0501
9.1949 9.1949
k = 0.3269 0.3167-0.0000 ( 33864 PWs) bands (ev):
-15.5447 -15.5447 -15.5420 -15.5420 -8.4297 -8.4297 -7.9507 -7.9507
-7.8281 -7.8281 -7.7960 -7.7960 -7.7054 -7.7054 -7.6883 -7.6883
-4.3098 -4.3098 -4.2942 -4.2942 -2.8926 -2.8926 -2.8663 -2.8663
-2.8504 -2.8504 -2.8455 -2.8455 -1.5712 -1.5712 -1.5530 -1.5530
-0.9990 -0.9990 -0.6600 -0.6600 -0.5219 -0.5219 0.0956 0.0956
0.1572 0.1572 0.3859 0.3859 0.6602 0.6602 0.6720 0.6720
0.9241 0.9241 1.1839 1.1839 1.7355 1.7355 1.7427 1.7427
2.0493 2.0493 2.2909 2.2909 2.3827 2.3827 2.5801 2.5801
2.6692 2.6692 2.8769 2.8769 2.8796 2.8796 2.9466 2.9466
3.0286 3.0286 3.1943 3.1943 3.4591 3.4591 3.6407 3.6407
3.8826 3.8826 5.5755 5.5755 6.7137 6.7137 8.5185 8.5185
8.7813 8.7813 8.8903 8.8903 9.0000 9.0000 9.0655 9.0655
9.2433 9.2433
k = 0.3462 0.3354-0.0000 ( 33880 PWs) bands (ev):
-15.5446 -15.5446 -15.5421 -15.5421 -8.4254 -8.4254 -7.9555 -7.9555
-7.8287 -7.8287 -7.7966 -7.7966 -7.7052 -7.7052 -7.6903 -7.6903
-4.3077 -4.3077 -4.2934 -4.2934 -2.8892 -2.8892 -2.8615 -2.8615
-2.8494 -2.8494 -2.8440 -2.8440 -1.5714 -1.5714 -1.5470 -1.5470
-1.0118 -1.0118 -0.6628 -0.6628 -0.5070 -0.5070 0.0954 0.0954
0.1567 0.1567 0.3892 0.3892 0.6727 0.6727 0.7031 0.7031
0.9305 0.9305 1.1815 1.1815 1.7402 1.7402 1.7421 1.7421
2.0063 2.0063 2.2857 2.2857 2.3639 2.3639 2.5497 2.5497
2.6642 2.6642 2.8664 2.8664 2.8704 2.8704 2.9258 2.9258
3.0107 3.0107 3.1889 3.1889 3.4462 3.4462 3.6320 3.6320
3.8778 3.8778 5.5742 5.5742 6.8204 6.8204 8.5441 8.5441
8.8007 8.8007 8.9361 8.9361 9.0661 9.0661 9.1032 9.1032
9.2693 9.2693
k = 0.3654 0.3540-0.0000 ( 33872 PWs) bands (ev):
-15.5445 -15.5445 -15.5421 -15.5421 -8.4214 -8.4214 -7.9596 -7.9596
-7.8292 -7.8292 -7.7973 -7.7973 -7.7050 -7.7050 -7.6922 -7.6922
-4.3057 -4.3057 -4.2926 -4.2926 -2.8861 -2.8861 -2.8571 -2.8571
-2.8485 -2.8485 -2.8425 -2.8425 -1.5717 -1.5717 -1.5417 -1.5417
-1.0252 -1.0252 -0.6655 -0.6655 -0.4916 -0.4916 0.0946 0.0946
0.1561 0.1561 0.3925 0.3925 0.6734 0.6734 0.7533 0.7533
0.9373 0.9373 1.1794 1.1794 1.7379 1.7379 1.7420 1.7420
1.9600 1.9600 2.2810 2.2810 2.3438 2.3438 2.5208 2.5208
2.6596 2.6596 2.8538 2.8538 2.8649 2.8649 2.9104 2.9104
2.9956 2.9956 3.1809 3.1809 3.4367 3.4367 3.6243 3.6243
3.8736 3.8736 5.5730 5.5730 6.9339 6.9339 8.5632 8.5632
8.8125 8.8125 8.9553 8.9553 9.1279 9.1279 9.1643 9.1643
9.2895 9.2895
k = 0.3846 0.3726-0.0000 ( 33864 PWs) bands (ev):
-15.5445 -15.5445 -15.5421 -15.5421 -8.4178 -8.4178 -7.9632 -7.9632
-7.8297 -7.8297 -7.7978 -7.7978 -7.7048 -7.7048 -7.6942 -7.6942
-4.3040 -4.3040 -4.2919 -4.2919 -2.8833 -2.8833 -2.8532 -2.8532
-2.8476 -2.8476 -2.8412 -2.8412 -1.5719 -1.5719 -1.5371 -1.5371
-1.0383 -1.0383 -0.6679 -0.6679 -0.4767 -0.4767 0.0934 0.0934
0.1555 0.1555 0.3955 0.3955 0.6739 0.6739 0.8089 0.8089
0.9458 0.9458 1.1776 1.1776 1.7299 1.7299 1.7358 1.7358
1.9153 1.9153 2.2769 2.2769 2.3229 2.3229 2.4965 2.4965
2.6555 2.6555 2.8416 2.8416 2.8603 2.8603 2.8994 2.8994
2.9832 2.9832 3.1710 3.1710 3.4304 3.4304 3.6176 3.6176
3.8699 3.8699 5.5719 5.5719 7.0514 7.0514 8.5770 8.5770
8.8190 8.8190 8.9509 8.9509 9.1832 9.1832 9.2371 9.2371
9.3069 9.3069
k = 0.4038 0.3913-0.0000 ( 33864 PWs) bands (ev):
-15.5444 -15.5444 -15.5422 -15.5422 -8.4147 -8.4147 -7.9662 -7.9662
-7.8301 -7.8301 -7.7983 -7.7983 -7.7047 -7.7047 -7.6960 -7.6960
-4.3024 -4.3024 -4.2914 -4.2914 -2.8808 -2.8808 -2.8499 -2.8499
-2.8466 -2.8466 -2.8401 -2.8401 -1.5721 -1.5721 -1.5334 -1.5334
-1.0505 -1.0505 -0.6700 -0.6700 -0.4631 -0.4631 0.0921 0.0921
0.1548 0.1548 0.3983 0.3983 0.6744 0.6744 0.8645 0.8645
0.9608 0.9608 1.1761 1.1761 1.6978 1.6978 1.7340 1.7340
1.8809 1.8809 2.2734 2.2734 2.3026 2.3026 2.4778 2.4778
2.6519 2.6519 2.8296 2.8296 2.8566 2.8566 2.8921 2.8921
2.9734 2.9734 3.1602 3.1602 3.4267 3.4267 3.6118 3.6118
3.8668 3.8668 5.5710 5.5710 7.1699 7.1699 8.5864 8.5864
8.8221 8.8221 8.9256 8.9256 9.2287 9.2287 9.3116 9.3116
9.3242 9.3242
k = 0.4231 0.4099-0.0000 ( 33880 PWs) bands (ev):
-15.5444 -15.5444 -15.5422 -15.5422 -8.4122 -8.4122 -7.9685 -7.9685
-7.8305 -7.8305 -7.7987 -7.7987 -7.7046 -7.7046 -7.6976 -7.6976
-4.3011 -4.3011 -4.2909 -4.2909 -2.8788 -2.8788 -2.8476 -2.8476
-2.8453 -2.8453 -2.8391 -2.8391 -1.5722 -1.5722 -1.5303 -1.5303
-1.0611 -1.0611 -0.6718 -0.6718 -0.4514 -0.4514 0.0908 0.0908
0.1543 0.1543 0.4007 0.4007 0.6747 0.6747 0.9051 0.9051
0.9965 0.9965 1.1749 1.1749 1.6422 1.6422 1.7324 1.7324
1.8616 1.8616 2.2706 2.2706 2.2844 2.2844 2.4644 2.4644
2.6488 2.6488 2.8184 2.8184 2.8539 2.8539 2.8875 2.8875
2.9658 2.9658 3.1497 3.1497 3.4248 3.4248 3.6069 3.6069
3.8643 3.8643 5.5703 5.5703 7.2850 7.2850 8.5925 8.5925
8.8233 8.8233 8.8822 8.8822 9.2609 9.2609 9.3445 9.3445
9.3821 9.3821
k = 0.4423 0.4285-0.0000 ( 33876 PWs) bands (ev):
-15.5444 -15.5444 -15.5422 -15.5422 -8.4101 -8.4101 -7.9704 -7.9704
-7.8308 -7.8308 -7.7990 -7.7990 -7.7045 -7.7045 -7.6989 -7.6989
-4.3001 -4.3001 -4.2905 -4.2905 -2.8772 -2.8772 -2.8466 -2.8466
-2.8436 -2.8436 -2.8384 -2.8384 -1.5724 -1.5724 -1.5279 -1.5279
-1.0697 -1.0697 -0.6732 -0.6732 -0.4419 -0.4419 0.0897 0.0897
0.1538 0.1538 0.4026 0.4026 0.6750 0.6750 0.9228 0.9228
1.0599 1.0599 1.1739 1.1739 1.5694 1.5694 1.7311 1.7311
1.8531 1.8531 2.2684 2.2684 2.2695 2.2695 2.4553 2.4553
2.6464 2.6464 2.8088 2.8088 2.8519 2.8519 2.8846 2.8846
2.9602 2.9602 3.1403 3.1403 3.4242 3.4242 3.6030 3.6030
3.8623 3.8623 5.5697 5.5697 7.3907 7.3907 8.5961 8.5961
8.8216 8.8216 8.8291 8.8291 9.2797 9.2797 9.3672 9.3672
9.4436 9.4442
k = 0.4615 0.4472-0.0000 ( 33872 PWs) bands (ev):
-15.5443 -15.5443 -15.5422 -15.5422 -8.4087 -8.4087 -7.9716 -7.9716
-7.8310 -7.8310 -7.7992 -7.7992 -7.7044 -7.7044 -7.6999 -7.6999
-4.2994 -4.2994 -4.2902 -4.2902 -2.8760 -2.8760 -2.8461 -2.8461
-2.8420 -2.8420 -2.8378 -2.8378 -1.5725 -1.5725 -1.5262 -1.5262
-1.0761 -1.0761 -0.6742 -0.6742 -0.4350 -0.4350 0.0889 0.0889
0.1534 0.1534 0.4041 0.4041 0.6752 0.6752 0.9299 0.9299
1.1374 1.1374 1.1733 1.1733 1.4870 1.4870 1.7302 1.7302
1.8498 1.8498 2.2585 2.2585 2.2669 2.2669 2.4495 2.4495
2.6446 2.6446 2.8014 2.8014 2.8506 2.8506 2.8830 2.8830
2.9563 2.9563 3.1330 3.1330 3.4242 3.4242 3.6002 3.6002
3.8609 3.8609 5.5692 5.5692 7.4789 7.4789 8.5978 8.5978
8.7713 8.7713 8.8241 8.8241 9.2893 9.2893 9.3874 9.3874
9.4559 9.4559
k = 0.4808 0.4658-0.0000 ( 33908 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4078 -8.4078 -7.9724 -7.9724
-7.8311 -7.8311 -7.7993 -7.7993 -7.7044 -7.7044 -7.7005 -7.7005
-4.2989 -4.2989 -4.2900 -4.2900 -2.8753 -2.8753 -2.8458 -2.8458
-2.8411 -2.8411 -2.8375 -2.8375 -1.5725 -1.5725 -1.5252 -1.5252
-1.0800 -1.0800 -0.6748 -0.6748 -0.4308 -0.4308 0.0883 0.0883
0.1532 0.1532 0.4050 0.4050 0.6753 0.6753 0.9330 0.9330
1.1729 1.1729 1.2211 1.2211 1.4004 1.4004 1.7297 1.7297
1.8486 1.8486 2.2518 2.2518 2.2660 2.2660 2.4463 2.4463
2.6435 2.6435 2.7968 2.7968 2.8498 2.8498 2.8821 2.8821
2.9541 2.9541 3.1284 3.1284 3.4244 3.4244 3.5985 3.5985
3.8601 3.8601 5.5690 5.5690 7.5390 7.5390 8.5979 8.5979
8.7300 8.7300 8.8239 8.8239 9.2939 9.2939 9.4009 9.4009
9.4641 9.4641
k = 0.5000 0.4844-0.0000 ( 33868 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4075 -8.4075 -7.9727 -7.9727
-7.8311 -7.8311 -7.7994 -7.7994 -7.7044 -7.7044 -7.7007 -7.7007
-4.2988 -4.2988 -4.2900 -4.2900 -2.8750 -2.8750 -2.8457 -2.8457
-2.8407 -2.8407 -2.8374 -2.8374 -1.5725 -1.5725 -1.5249 -1.5249
-1.0813 -1.0813 -0.6751 -0.6751 -0.4294 -0.4294 0.0882 0.0882
0.1531 0.1531 0.4053 0.4053 0.6754 0.6754 0.9339 0.9339
1.1727 1.1727 1.2940 1.2940 1.3265 1.3265 1.7295 1.7295
1.8483 1.8483 2.2495 2.2495 2.2656 2.2656 2.4452 2.4452
2.6432 2.6432 2.7952 2.7952 2.8496 2.8496 2.8819 2.8819
2.9533 2.9533 3.1268 3.1268 3.4245 3.4245 3.5979 3.5979
3.8598 3.8598 5.5689 5.5689 7.5605 7.5605 8.5977 8.5977
8.7146 8.7146 8.8238 8.8238 9.2952 9.2952 9.4055 9.4055
9.4669 9.4669
k = 0.5000 0.4844-0.0000 ( 33868 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4075 -8.4075 -7.9727 -7.9727
-7.8311 -7.8311 -7.7994 -7.7994 -7.7044 -7.7044 -7.7007 -7.7007
-4.2988 -4.2988 -4.2900 -4.2900 -2.8750 -2.8750 -2.8457 -2.8457
-2.8407 -2.8407 -2.8374 -2.8374 -1.5725 -1.5725 -1.5249 -1.5249
-1.0813 -1.0813 -0.6751 -0.6751 -0.4294 -0.4294 0.0882 0.0882
0.1531 0.1531 0.4053 0.4053 0.6754 0.6754 0.9339 0.9339
1.1727 1.1727 1.2940 1.2940 1.3265 1.3265 1.7295 1.7295
1.8483 1.8483 2.2495 2.2495 2.2656 2.2656 2.4452 2.4452
2.6432 2.6432 2.7952 2.7952 2.8496 2.8496 2.8819 2.8819
2.9533 2.9533 3.1268 3.1268 3.4245 3.4245 3.5979 3.5979
3.8598 3.8598 5.5689 5.5689 7.5605 7.5605 8.5977 8.5977
8.7146 8.7146 8.8238 8.8238 9.2952 9.2952 9.4055 9.4055
9.4669 9.4669
k = 0.4879 0.4969 0.0173 ( 33878 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4071 -8.4071 -7.9739 -7.9739
-7.8306 -7.8306 -7.7990 -7.7990 -7.7045 -7.7045 -7.7007 -7.7007
-4.2988 -4.2988 -4.2900 -4.2900 -2.8749 -2.8749 -2.8457 -2.8457
-2.8408 -2.8408 -2.8374 -2.8374 -1.5725 -1.5725 -1.5236 -1.5236
-1.0814 -1.0814 -0.6748 -0.6748 -0.4292 -0.4292 0.0873 0.0873
0.1519 0.1519 0.4054 0.4054 0.6732 0.6732 0.9301 0.9301
1.1735 1.1735 1.2944 1.2944 1.3268 1.3268 1.7313 1.7313
1.8495 1.8495 2.2508 2.2508 2.2647 2.2647 2.4470 2.4470
2.6432 2.6432 2.7957 2.7957 2.8486 2.8486 2.8821 2.8821
2.9559 2.9559 3.1269 3.1269 3.4260 3.4260 3.5979 3.5979
3.8583 3.8583 5.5636 5.5636 7.5609 7.5609 8.5973 8.5973
8.6733 8.6733 8.8624 8.8624 9.3022 9.3022 9.4079 9.4079
9.4691 9.4691
k = 0.4759 0.5093 0.0347 ( 33880 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4061 -8.4061 -7.9775 -7.9775
-7.8291 -7.8291 -7.7977 -7.7977 -7.7050 -7.7050 -7.7007 -7.7007
-4.2987 -4.2987 -4.2900 -4.2900 -2.8747 -2.8747 -2.8457 -2.8457
-2.8410 -2.8410 -2.8373 -2.8373 -1.5723 -1.5723 -1.5196 -1.5196
-1.0815 -1.0815 -0.6739 -0.6739 -0.4287 -0.4287 0.0848 0.0848
0.1485 0.1485 0.4056 0.4056 0.6669 0.6669 0.9192 0.9192
1.1757 1.1757 1.2957 1.2957 1.3278 1.3278 1.7369 1.7369
1.8529 1.8529 2.2515 2.2515 2.2648 2.2648 2.4520 2.4520
2.6431 2.6431 2.7970 2.7970 2.8456 2.8456 2.8831 2.8831
2.9633 2.9633 3.1271 3.1271 3.4306 3.4306 3.5980 3.5980
3.8540 3.8540 5.5479 5.5479 7.5618 7.5618 8.5704 8.5704
8.6277 8.6277 8.9269 8.9269 9.3212 9.3212 9.4157 9.4157
9.4757 9.4757
k = 0.4638 0.5218 0.0520 ( 33876 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4043 -8.4043 -7.9832 -7.9832
-7.8268 -7.8268 -7.7955 -7.7955 -7.7057 -7.7057 -7.7007 -7.7007
-4.2986 -4.2986 -4.2900 -4.2900 -2.8743 -2.8743 -2.8458 -2.8458
-2.8413 -2.8413 -2.8372 -2.8372 -1.5719 -1.5719 -1.5130 -1.5130
-1.0818 -1.0818 -0.6725 -0.6725 -0.4279 -0.4279 0.0806 0.0806
0.1428 0.1428 0.4061 0.4061 0.6563 0.6563 0.9022 0.9022
1.1789 1.1789 1.2975 1.2975 1.3293 1.3293 1.7461 1.7461
1.8587 1.8587 2.2459 2.2459 2.2718 2.2718 2.4599 2.4599
2.6431 2.6431 2.7991 2.7991 2.8408 2.8408 2.8857 2.8857
2.9748 2.9748 3.1275 3.1275 3.4383 3.4383 3.5984 3.5984
3.8468 3.8468 5.5224 5.5224 7.5634 7.5634 8.4879 8.4879
8.6320 8.6320 8.9947 8.9947 9.3467 9.3467 9.4309 9.4309
9.4867 9.4867
k = 0.4518 0.5342 0.0693 ( 33866 PWs) bands (ev):
-15.5442 -15.5442 -15.5423 -15.5423 -8.4019 -8.4019 -7.9906 -7.9906
-7.8241 -7.8241 -7.7925 -7.7925 -7.7067 -7.7067 -7.7007 -7.7007
-4.2985 -4.2985 -4.2901 -4.2901 -2.8738 -2.8738 -2.8459 -2.8459
-2.8417 -2.8417 -2.8371 -2.8371 -1.5714 -1.5714 -1.5039 -1.5039
-1.0823 -1.0823 -0.6706 -0.6706 -0.4267 -0.4267 0.0746 0.0746
0.1352 0.1352 0.4067 0.4067 0.6414 0.6414 0.8807 0.8807
1.1827 1.1827 1.2995 1.2995 1.3311 1.3311 1.7589 1.7589
1.8670 1.8670 2.2361 2.2361 2.2832 2.2832 2.4699 2.4699
2.6432 2.6432 2.8017 2.8017 2.8347 2.8347 2.8900 2.8900
2.9897 2.9897 3.1279 3.1279 3.4491 3.4491 3.5990 3.5990
3.8369 3.8369 5.4879 5.4879 7.5654 7.5654 8.3925 8.3925
8.6481 8.6481 9.0643 9.0643 9.3714 9.3714 9.4561 9.4561
9.5020 9.5020
k = 0.4397 0.5467 0.0867 ( 33856 PWs) bands (ev):
-15.5442 -15.5442 -15.5424 -15.5424 -8.3989 -8.3989 -7.9994 -7.9994
-7.8213 -7.8213 -7.7887 -7.7887 -7.7078 -7.7078 -7.7007 -7.7007
-4.2984 -4.2984 -4.2901 -4.2901 -2.8731 -2.8731 -2.8463 -2.8463
-2.8420 -2.8420 -2.8369 -2.8369 -1.5708 -1.5708 -1.4924 -1.4924
-1.0829 -1.0829 -0.6682 -0.6682 -0.4251 -0.4251 0.0668 0.0668
0.1259 0.1259 0.4073 0.4073 0.6224 0.6224 0.8565 0.8565
1.1867 1.1867 1.3014 1.3014 1.3333 1.3333 1.7750 1.7750
1.8780 1.8780 2.2242 2.2242 2.2966 2.2966 2.4815 2.4815
2.6436 2.6436 2.8041 2.8041 2.8285 2.8285 2.8961 2.8961
3.0077 3.0077 3.1285 3.1285 3.4630 3.4630 3.6002 3.6002
3.8244 3.8244 5.4456 5.4456 7.5675 7.5675 8.2922 8.2922
8.6695 8.6695 9.1365 9.1365 9.3919 9.3919 9.4889 9.4889
9.5220 9.5220
k = 0.4276 0.5591 0.1040 ( 33858 PWs) bands (ev):
-15.5442 -15.5442 -15.5424 -15.5424 -8.3954 -8.3954 -8.0092 -8.0092
-7.8185 -7.8185 -7.7842 -7.7842 -7.7092 -7.7092 -7.7008 -7.7008
-4.2982 -4.2982 -4.2902 -4.2902 -2.8723 -2.8723 -2.8468 -2.8468
-2.8422 -2.8422 -2.8368 -2.8368 -1.5702 -1.5702 -1.4786 -1.4786
-1.0836 -1.0836 -0.6653 -0.6653 -0.4232 -0.4232 0.0570 0.0570
0.1151 0.1151 0.4081 0.4081 0.5993 0.5993 0.8312 0.8312
1.1905 1.1905 1.3028 1.3028 1.3356 1.3356 1.7939 1.7939
1.8920 1.8920 2.2112 2.2112 2.3105 2.3105 2.4938 2.4938
2.6446 2.6446 2.8045 2.8045 2.8240 2.8240 2.9038 2.9038
3.0284 3.0284 3.1291 3.1291 3.4798 3.4798 3.6023 3.6023
3.8095 3.8095 5.3966 5.3966 7.5693 7.5693 8.1898 8.1898
8.6946 8.6946 9.2109 9.2109 9.4097 9.4097 9.5191 9.5191
9.5472 9.5472
k = 0.4156 0.5716 0.1213 ( 33830 PWs) bands (ev):
-15.5441 -15.5441 -15.5425 -15.5425 -8.3913 -8.3913 -8.0197 -8.0197
-7.8157 -7.8157 -7.7793 -7.7793 -7.7108 -7.7108 -7.7009 -7.7009
-4.2980 -4.2980 -4.2904 -4.2904 -2.8714 -2.8714 -2.8477 -2.8477
-2.8424 -2.8424 -2.8367 -2.8367 -1.5694 -1.5694 -1.4628 -1.4628
-1.0846 -1.0846 -0.6619 -0.6619 -0.4209 -0.4209 0.0453 0.0453
0.1033 0.1033 0.4089 0.4089 0.5725 0.5725 0.8062 0.8062
1.1940 1.1940 1.3035 1.3035 1.3381 1.3381 1.8149 1.8149
1.9094 1.9094 2.1975 2.1975 2.3243 2.3243 2.5062 2.5062
2.6464 2.6464 2.8006 2.8006 2.8238 2.8238 2.9130 2.9130
3.0518 3.0518 3.1297 3.1297 3.4994 3.4994 3.6055 3.6055
3.7925 3.7925 5.3425 5.3425 7.5699 7.5699 8.0872 8.0872
8.7227 8.7227 9.2862 9.2862 9.4273 9.4273 9.5394 9.5394
9.5704 9.5704
k = 0.4035 0.5840 0.1387 ( 33828 PWs) bands (ev):
-15.5440 -15.5440 -15.5425 -15.5425 -8.3869 -8.3869 -8.0305 -8.0305
-7.8129 -7.8129 -7.7742 -7.7742 -7.7126 -7.7126 -7.7010 -7.7010
-4.2978 -4.2978 -4.2906 -4.2906 -2.8704 -2.8704 -2.8489 -2.8489
-2.8425 -2.8425 -2.8366 -2.8366 -1.5685 -1.5685 -1.4451 -1.4451
-1.0857 -1.0857 -0.6582 -0.6582 -0.4183 -0.4183 0.0314 0.0314
0.0906 0.0906 0.4095 0.4095 0.5427 0.5427 0.7825 0.7825
1.1969 1.1969 1.3033 1.3033 1.3407 1.3407 1.8371 1.8371
1.9307 1.9307 2.1837 2.1837 2.3371 2.3371 2.5176 2.5176
2.6494 2.6494 2.7936 2.7936 2.8268 2.8268 2.9235 2.9235
3.0776 3.0776 3.1305 3.1305 3.5213 3.5213 3.6107 3.6107
3.7735 3.7735 5.2844 5.2844 7.5676 7.5676 7.9872 7.9872
8.7528 8.7528 9.3591 9.3591 9.4463 9.4463 9.5497 9.5497
9.5828 9.5828
k = 0.3915 0.5965 0.1560 ( 33808 PWs) bands (ev):
-15.5440 -15.5440 -15.5426 -15.5426 -8.3821 -8.3821 -8.0415 -8.0415
-7.8101 -7.8101 -7.7690 -7.7690 -7.7146 -7.7146 -7.7012 -7.7012
-4.2976 -4.2976 -4.2909 -4.2909 -2.8694 -2.8694 -2.8503 -2.8503
-2.8425 -2.8425 -2.8367 -2.8367 -1.5676 -1.5676 -1.4259 -1.4259
-1.0871 -1.0871 -0.6542 -0.6542 -0.4152 -0.4152 0.0153 0.0153
0.0775 0.0775 0.4100 0.4100 0.5108 0.5108 0.7609 0.7609
1.1991 1.1991 1.3023 1.3023 1.3433 1.3433 1.8593 1.8593
1.9564 1.9564 2.1703 2.1703 2.3489 2.3489 2.5275 2.5275
2.6539 2.6539 2.7855 2.7855 2.8310 2.8310 2.9350 2.9350
3.1053 3.1053 3.1315 3.1315 3.5443 3.5443 3.6189 3.6189
3.7529 3.7529 5.2238 5.2238 7.5589 7.5589 7.8942 7.8942
8.7842 8.7842 9.4234 9.4234 9.4686 9.4686 9.5481 9.5481
9.5804 9.5804
k = 0.3794 0.6089 0.1733 ( 33806 PWs) bands (ev):
-15.5439 -15.5439 -15.5427 -15.5427 -8.3773 -8.3773 -8.0523 -8.0523
-7.8073 -7.8073 -7.7639 -7.7639 -7.7167 -7.7167 -7.7013 -7.7013
-4.2973 -4.2973 -4.2913 -4.2913 -2.8683 -2.8683 -2.8520 -2.8520
-2.8425 -2.8425 -2.8368 -2.8368 -1.5666 -1.5666 -1.4055 -1.4055
-1.0888 -1.0888 -0.6499 -0.6499 -0.4117 -0.4117 -0.0030 -0.0030
0.0641 0.0641 0.4101 0.4101 0.4783 0.4783 0.7414 0.7414
1.2004 1.2004 1.3004 1.3004 1.3459 1.3459 1.8808 1.8808
1.9863 1.9863 2.1578 2.1578 2.3593 2.3593 2.5351 2.5351
2.6597 2.6597 2.7773 2.7773 2.8356 2.8356 2.9472 2.9472
3.1294 3.1294 3.1382 3.1382 3.5662 3.5662 3.6323 3.6323
3.7313 3.7313 5.1618 5.1618 7.5365 7.5365 7.8161 7.8161
8.8160 8.8160 9.4678 9.4678 9.4970 9.4970 9.5312 9.5313
9.5640 9.5640
k = 0.3673 0.6214 0.1907 ( 33804 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3724 -8.3724 -8.0627 -8.0627
-7.8045 -7.8045 -7.7590 -7.7590 -7.7189 -7.7189 -7.7015 -7.7015
-4.2971 -4.2971 -4.2918 -4.2918 -2.8673 -2.8673 -2.8539 -2.8539
-2.8424 -2.8424 -2.8371 -2.8371 -1.5657 -1.5657 -1.3842 -1.3842
-1.0907 -1.0907 -0.6454 -0.6454 -0.4078 -0.4078 -0.0236 -0.0236
0.0508 0.0508 0.4093 0.4093 0.4468 0.4468 0.7243 0.7243
1.2008 1.2008 1.2980 1.2980 1.3485 1.3485 1.9009 1.9009
2.0198 2.0198 2.1470 2.1470 2.3686 2.3686 2.5402 2.5402
2.6666 2.6666 2.7697 2.7697 2.8402 2.8402 2.9598 2.9598
3.1324 3.1324 3.1676 3.1676 3.5848 3.5848 3.6528 3.6528
3.7090 3.7090 5.0998 5.0998 7.4910 7.4910 7.7631 7.7631
8.8475 8.8475 9.4825 9.4825 9.5002 9.5002 9.5280 9.5280
9.5450 9.5450
k = 0.3673 0.6214 0.1907 ( 33804 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3724 -8.3724 -8.0627 -8.0627
-7.8045 -7.8045 -7.7590 -7.7590 -7.7189 -7.7189 -7.7015 -7.7015
-4.2971 -4.2971 -4.2918 -4.2918 -2.8673 -2.8673 -2.8539 -2.8539
-2.8424 -2.8424 -2.8371 -2.8371 -1.5657 -1.5657 -1.3842 -1.3842
-1.0907 -1.0907 -0.6454 -0.6454 -0.4078 -0.4078 -0.0236 -0.0236
0.0508 0.0508 0.4093 0.4093 0.4468 0.4468 0.7243 0.7243
1.2008 1.2008 1.2980 1.2980 1.3485 1.3485 1.9009 1.9009
2.0198 2.0198 2.1470 2.1470 2.3686 2.3686 2.5402 2.5402
2.6666 2.6666 2.7697 2.7697 2.8402 2.8402 2.9598 2.9598
3.1324 3.1324 3.1676 3.1676 3.5848 3.5848 3.6528 3.6528
3.7090 3.7090 5.0998 5.0998 7.4910 7.4910 7.7631 7.7631
8.8475 8.8475 9.4825 9.4825 9.5002 9.5002 9.5280 9.5280
9.5450 9.5450
k = 0.3444 0.6138 0.2012 ( 33790 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3697 -8.3697 -8.0686 -8.0686
-7.8028 -7.8028 -7.7561 -7.7561 -7.7203 -7.7203 -7.7014 -7.7014
-4.2970 -4.2970 -4.2922 -4.2922 -2.8668 -2.8668 -2.8553 -2.8553
-2.8425 -2.8425 -2.8374 -2.8374 -1.5651 -1.5651 -1.3712 -1.3712
-1.0912 -1.0912 -0.6425 -0.6425 -0.4062 -0.4062 -0.0372 -0.0372
0.0429 0.0429 0.4070 0.4070 0.4299 0.4299 0.7150 0.7150
1.1793 1.1793 1.2826 1.2826 1.3851 1.3851 1.9133 1.9133
2.0413 2.0413 2.1423 2.1423 2.3738 2.3738 2.5423 2.5423
2.6709 2.6709 2.7660 2.7660 2.8437 2.8437 2.9675 2.9675
3.1346 3.1346 3.1874 3.1874 3.5918 3.5918 3.6703 3.6703
3.6965 3.6965 5.0626 5.0626 7.4489 7.4489 7.7325 7.7325
8.8783 8.8783 9.4565 9.4565 9.5003 9.5003 9.5230 9.5230
9.5422 9.5422
k = 0.3214 0.6062 0.2117 ( 33784 PWs) bands (ev):
-15.5437 -15.5437 -15.5429 -15.5429 -8.3674 -8.3674 -8.0741 -8.0741
-7.8010 -7.8010 -7.7535 -7.7535 -7.7217 -7.7217 -7.7010 -7.7010
-4.2971 -4.2971 -4.2927 -4.2927 -2.8667 -2.8667 -2.8569 -2.8569
-2.8426 -2.8426 -2.8377 -2.8377 -1.5644 -1.5644 -1.3584 -1.3584
-1.0899 -1.0899 -0.6394 -0.6394 -0.4063 -0.4063 -0.0513 -0.0513
0.0352 0.0352 0.3997 0.3997 0.4187 0.4187 0.7065 0.7065
1.1278 1.1278 1.2754 1.2754 1.4435 1.4435 1.9266 1.9266
2.0630 2.0630 2.1401 2.1401 2.3789 2.3789 2.5439 2.5439
2.6749 2.6749 2.7632 2.7632 2.8486 2.8486 2.9750 2.9750
3.1393 3.1393 3.2081 3.2081 3.5943 3.5943 3.6777 3.6777
3.7000 3.7000 5.0261 5.0261 7.3991 7.3991 7.6855 7.6855
8.9297 8.9297 9.4234 9.4234 9.4845 9.4845 9.4997 9.4997
9.5387 9.5387
k = 0.2985 0.5986 0.2223 ( 33789 PWs) bands (ev):
-15.5437 -15.5437 -15.5429 -15.5429 -8.3654 -8.3654 -8.0791 -8.0791
-7.7991 -7.7991 -7.7510 -7.7510 -7.7232 -7.7232 -7.7004 -7.7004
-4.2972 -4.2972 -4.2932 -4.2932 -2.8670 -2.8670 -2.8587 -2.8587
-2.8427 -2.8427 -2.8381 -2.8381 -1.5638 -1.5638 -1.3459 -1.3459
-1.0870 -1.0870 -0.6363 -0.6363 -0.4080 -0.4080 -0.0659 -0.0659
0.0278 0.0278 0.3865 0.3865 0.4141 0.4141 0.6987 0.6987
1.0674 1.0674 1.2746 1.2746 1.5045 1.5045 1.9405 1.9405
2.0837 2.0837 2.1415 2.1415 2.3839 2.3839 2.5453 2.5453
2.6782 2.6782 2.7614 2.7614 2.8547 2.8547 2.9821 2.9821
3.1464 3.1464 3.2293 3.2293 3.5942 3.5942 3.6667 3.6667
3.7258 3.7258 4.9906 4.9906 7.3462 7.3462 7.6235 7.6235
8.9943 8.9943 9.3861 9.3861 9.4513 9.4513 9.4708 9.4708
9.5252 9.5252
k = 0.2755 0.5911 0.2328 ( 33798 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3637 -8.3637 -8.0836 -8.0836
-7.7973 -7.7973 -7.7487 -7.7487 -7.7247 -7.7247 -7.6995 -7.6995
-4.2975 -4.2975 -4.2938 -4.2938 -2.8676 -2.8676 -2.8607 -2.8607
-2.8428 -2.8428 -2.8384 -2.8384 -1.5632 -1.5632 -1.3337 -1.3337
-1.0824 -1.0824 -0.6330 -0.6330 -0.4113 -0.4113 -0.0810 -0.0810
0.0207 0.0207 0.3723 0.3723 0.4119 0.4119 0.6917 0.6917
1.0062 1.0062 1.2756 1.2756 1.5642 1.5642 1.9544 1.9544
2.1018 2.1018 2.1484 2.1484 2.3886 2.3886 2.5466 2.5466
2.6804 2.6804 2.7602 2.7602 2.8621 2.8621 2.9888 2.9888
3.1557 3.1557 3.2506 3.2506 3.5927 3.5927 3.6548 3.6548
3.7549 3.7549 4.9564 4.9564 7.2928 7.2928 7.5508 7.5508
9.0608 9.0608 9.3450 9.3450 9.4029 9.4029 9.4402 9.4402
9.5160 9.5160
k = 0.2525 0.5835 0.2434 ( 33812 PWs) bands (ev):
-15.5436 -15.5436 -15.5430 -15.5430 -8.3623 -8.3623 -8.0878 -8.0878
-7.7954 -7.7954 -7.7466 -7.7466 -7.7262 -7.7262 -7.6983 -7.6983
-4.2978 -4.2978 -4.2944 -4.2944 -2.8685 -2.8685 -2.8629 -2.8629
-2.8430 -2.8430 -2.8386 -2.8386 -1.5626 -1.5626 -1.3220 -1.3220
-1.0763 -1.0763 -0.6298 -0.6298 -0.4162 -0.4162 -0.0964 -0.0964
0.0140 0.0140 0.3589 0.3589 0.4102 0.4102 0.6851 0.6851
0.9470 0.9470 1.2770 1.2770 1.6208 1.6208 1.9677 1.9677
2.1158 2.1158 2.1625 2.1625 2.3932 2.3932 2.5479 2.5479
2.6815 2.6815 2.7595 2.7595 2.8703 2.8703 2.9949 2.9949
3.1672 3.1672 3.2717 3.2717 3.5903 3.5903 3.6435 3.6435
3.7850 3.7850 4.9238 4.9238 7.2402 7.2402 7.4719 7.4719
9.1156 9.1156 9.2993 9.2993 9.3496 9.3496 9.4058 9.4058
9.5214 9.5214
k = 0.2296 0.5759 0.2539 ( 33816 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3612 -8.3612 -8.0915 -8.0915
-7.7935 -7.7935 -7.7448 -7.7448 -7.7277 -7.7277 -7.6970 -7.6970
-4.2982 -4.2982 -4.2951 -4.2951 -2.8697 -2.8697 -2.8650 -2.8650
-2.8431 -2.8431 -2.8389 -2.8389 -1.5621 -1.5621 -1.3108 -1.3108
-1.0689 -1.0689 -0.6267 -0.6267 -0.4224 -0.4224 -0.1118 -0.1118
0.0077 0.0077 0.3470 0.3470 0.4085 0.4085 0.6791 0.6791
0.8911 0.8911 1.2785 1.2785 1.6730 1.6730 1.9796 1.9796
2.1275 2.1275 2.1825 2.1825 2.3977 2.3977 2.5494 2.5494
2.6815 2.6815 2.7591 2.7591 2.8791 2.8791 3.0005 3.0005
3.1805 3.1805 3.2922 3.2922 3.5875 3.5875 3.6331 3.6331
3.8152 3.8152 4.8929 4.8929 7.1893 7.1893 7.3904 7.3904
9.1444 9.1444 9.2490 9.2490 9.2996 9.2996 9.3682 9.3682
9.5372 9.5374
k = 0.2066 0.5684 0.2644 ( 33825 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3603 -8.3603 -8.0949 -8.0949
-7.7916 -7.7916 -7.7432 -7.7432 -7.7292 -7.7292 -7.6955 -7.6955
-4.2986 -4.2986 -4.2958 -4.2958 -2.8711 -2.8711 -2.8671 -2.8671
-2.8431 -2.8431 -2.8392 -2.8392 -1.5615 -1.5615 -1.3002 -1.3002
-1.0603 -1.0603 -0.6237 -0.6237 -0.4299 -0.4299 -0.1270 -0.1270
0.0018 0.0018 0.3368 0.3368 0.4069 0.4069 0.6733 0.6733
0.8394 0.8394 1.2800 1.2800 1.7200 1.7200 1.9893 1.9893
2.1398 2.1398 2.2057 2.2057 2.4022 2.4022 2.5508 2.5508
2.6805 2.6805 2.7587 2.7587 2.8882 2.8882 3.0054 3.0054
3.1954 3.1954 3.3117 3.3117 3.5844 3.5844 3.6237 3.6237
3.8448 3.8448 4.8641 4.8641 7.1410 7.1410 7.3094 7.3094
9.1412 9.1412 9.1950 9.1950 9.2597 9.2597 9.3291 9.3291
9.5098 9.5098
k = 0.1837 0.5608 0.2750 ( 33829 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3596 -8.3596 -8.0978 -8.0978
-7.7898 -7.7898 -7.7418 -7.7418 -7.7307 -7.7307 -7.6940 -7.6940
-4.2990 -4.2990 -4.2964 -4.2964 -2.8726 -2.8726 -2.8692 -2.8692
-2.8432 -2.8432 -2.8394 -2.8394 -1.5610 -1.5610 -1.2903 -1.2903
-1.0508 -1.0508 -0.6208 -0.6208 -0.4384 -0.4384 -0.1418 -0.1418
-0.0035 -0.0035 0.3281 0.3281 0.4053 0.4053 0.6675 0.6675
0.7926 0.7926 1.2815 1.2815 1.7614 1.7614 1.9962 1.9962
2.1537 2.1537 2.2304 2.2304 2.4070 2.4070 2.5520 2.5520
2.6787 2.6787 2.7581 2.7581 2.8971 2.8971 3.0096 3.0096
3.2115 3.2115 3.3298 3.3298 3.5811 3.5811 3.6155 3.6155
3.8733 3.8733 4.8375 4.8375 7.0958 7.0958 7.2312 7.2312
9.1133 9.1133 9.1402 9.1402 9.2308 9.2308 9.2900 9.2900
9.4726 9.4726
k = 0.1607 0.5532 0.2855 ( 33833 PWs) bands (ev):
-15.5435 -15.5435 -15.5432 -15.5432 -8.3591 -8.3591 -8.1004 -8.1004
-7.7881 -7.7881 -7.7406 -7.7406 -7.7321 -7.7321 -7.6925 -7.6925
-4.2994 -4.2994 -4.2971 -4.2971 -2.8742 -2.8742 -2.8710 -2.8710
-2.8432 -2.8432 -2.8397 -2.8397 -1.5606 -1.5606 -1.2812 -1.2812
-1.0407 -1.0407 -0.6183 -0.6183 -0.4475 -0.4475 -0.1558 -0.1558
-0.0083 -0.0083 0.3211 0.3211 0.4036 0.4036 0.6613 0.6613
0.7517 0.7517 1.2828 1.2828 1.7971 1.7971 2.0004 2.0004
2.1690 2.1690 2.2559 2.2559 2.4122 2.4122 2.5526 2.5526
2.6766 2.6766 2.7570 2.7570 2.9055 2.9055 3.0132 3.0132
3.2284 3.2284 3.3462 3.3462 3.5780 3.5780 3.6084 3.6084
3.8999 3.8999 4.8135 4.8135 7.0542 7.0542 7.1579 7.1579
9.0741 9.0741 9.0875 9.0875 9.2082 9.2082 9.2524 9.2524
9.4344 9.4344
k = 0.1378 0.5457 0.2960 ( 33818 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3587 -8.3587 -8.1027 -8.1027
-7.7864 -7.7864 -7.7397 -7.7397 -7.7333 -7.7333 -7.6910 -7.6910
-4.2997 -4.2997 -4.2977 -4.2977 -2.8758 -2.8758 -2.8727 -2.8727
-2.8432 -2.8432 -2.8399 -2.8399 -1.5602 -1.5602 -1.2731 -1.2731
-1.0303 -1.0303 -0.6160 -0.6160 -0.4570 -0.4570 -0.1686 -0.1686
-0.0125 -0.0125 0.3156 0.3156 0.4019 0.4019 0.6536 0.6536
0.7179 0.7179 1.2840 1.2840 1.8275 1.8275 2.0020 2.0020
2.1845 2.1845 2.2814 2.2814 2.4182 2.4182 2.5523 2.5523
2.6744 2.6744 2.7553 2.7553 2.9132 2.9132 3.0160 3.0160
3.2455 3.2455 3.3607 3.3607 3.5751 3.5751 3.6025 3.6025
3.9242 3.9242 4.7922 4.7922 7.0168 7.0168 7.0910 7.0910
9.0331 9.0331 9.0393 9.0393 9.1884 9.1884 9.2176 9.2176
9.3978 9.3978
k = 0.1148 0.5381 0.3066 ( 33814 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3585 -8.3585 -8.1045 -8.1045
-7.7849 -7.7849 -7.7391 -7.7391 -7.7343 -7.7343 -7.6897 -7.6897
-4.3001 -4.3001 -4.2982 -4.2982 -2.8773 -2.8773 -2.8741 -2.8741
-2.8431 -2.8431 -2.8401 -2.8401 -1.5598 -1.5598 -1.2660 -1.2660
-1.0203 -1.0203 -0.6142 -0.6142 -0.4663 -0.4663 -0.1801 -0.1801
-0.0161 -0.0161 0.3114 0.3114 0.4002 0.4002 0.6425 0.6425
0.6934 0.6934 1.2850 1.2850 1.8530 1.8530 2.0017 2.0017
2.1990 2.1990 2.3058 2.3058 2.4254 2.4254 2.5505 2.5505
2.6724 2.6724 2.7531 2.7531 2.9199 2.9199 3.0183 3.0183
3.2620 3.2620 3.3731 3.3731 3.5726 3.5726 3.5975 3.5975
3.9457 3.9457 4.7738 4.7738 6.9839 6.9839 7.0321 7.0321
8.9940 8.9940 8.9975 8.9975 9.1709 9.1709 9.1866 9.1866
9.3645 9.3645
k = 0.0918 0.5305 0.3171 ( 33818 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3583 -8.3583 -8.1061 -8.1061
-7.7836 -7.7836 -7.7389 -7.7389 -7.7349 -7.7349 -7.6886 -7.6886
-4.3003 -4.3003 -4.2987 -4.2987 -2.8786 -2.8786 -2.8753 -2.8753
-2.8431 -2.8431 -2.8403 -2.8403 -1.5595 -1.5595 -1.2601 -1.2601
-1.0109 -1.0109 -0.6127 -0.6127 -0.4750 -0.4750 -0.1899 -0.1899
-0.0191 -0.0191 0.3085 0.3085 0.3986 0.3986 0.6274 0.6274
0.6791 0.6791 1.2859 1.2859 1.8740 1.8740 1.9999 1.9999
2.2115 2.2115 2.3276 2.3276 2.4345 2.4345 2.5466 2.5466
2.6710 2.6710 2.7505 2.7505 2.9255 2.9255 3.0200 3.0200
3.2773 3.2773 3.3831 3.3831 3.5707 3.5707 3.5935 3.5935
3.9638 3.9638 4.7585 4.7585 6.9556 6.9556 6.9829 6.9829
8.9588 8.9588 8.9634 8.9634 9.1551 9.1551 9.1611 9.1611
9.3360 9.3360
k = 0.0689 0.5230 0.3277 ( 33816 PWs) bands (ev):
-15.5434 -15.5434 -15.5433 -15.5433 -8.3581 -8.3581 -8.1072 -8.1072
-7.7825 -7.7825 -7.7390 -7.7390 -7.7352 -7.7352 -7.6876 -7.6876
-4.3006 -4.3006 -4.2991 -4.2991 -2.8797 -2.8797 -2.8763 -2.8763
-2.8431 -2.8431 -2.8404 -2.8404 -1.5593 -1.5593 -1.2554 -1.2554
-1.0029 -1.0029 -0.6116 -0.6116 -0.4825 -0.4825 -0.1978 -0.1978
-0.0214 -0.0214 0.3065 0.3065 0.3972 0.3972 0.6119 0.6119
0.6716 0.6716 1.2866 1.2866 1.8908 1.8908 1.9972 1.9972
2.2215 2.2215 2.3452 2.3452 2.4458 2.4458 2.5405 2.5405
2.6703 2.6703 2.7478 2.7478 2.9300 2.9300 3.0211 3.0211
3.2903 3.2903 3.3908 3.3908 3.5693 3.5693 3.5903 3.5903
3.9784 3.9784 4.7465 4.7465 6.9304 6.9304 6.9462 6.9462
8.9302 8.9302 8.9364 8.9364 9.1374 9.1374 9.1456 9.1456
9.3131 9.3131
k = 0.0459 0.5154 0.3382 ( 33832 PWs) bands (ev):
-15.5434 -15.5434 -15.5433 -15.5433 -8.3581 -8.3581 -8.1081 -8.1081
-7.7817 -7.7817 -7.7393 -7.7393 -7.7352 -7.7352 -7.6869 -7.6869
-4.3007 -4.3007 -4.2994 -4.2994 -2.8805 -2.8805 -2.8770 -2.8770
-2.8430 -2.8430 -2.8405 -2.8405 -1.5591 -1.5591 -1.2519 -1.2519
-0.9967 -0.9967 -0.6109 -0.6109 -0.4883 -0.4883 -0.2035 -0.2035
-0.0231 -0.0231 0.3053 0.3053 0.3960 0.3960 0.5993 0.5993
0.6676 0.6676 1.2871 1.2871 1.9033 1.9033 1.9943 1.9943
2.2287 2.2287 2.3575 2.3575 2.4589 2.4589 2.5323 2.5323
2.6701 2.6701 2.7453 2.7453 2.9332 2.9332 3.0219 3.0219
3.3004 3.3004 3.3963 3.3963 3.5684 3.5684 3.5880 3.5880
3.9890 3.9890 4.7378 4.7378 6.9066 6.9066 6.9248 6.9248
8.9092 8.9092 8.9168 8.9168 9.1222 9.1222 9.1365 9.1365
9.2963 9.2963
k = 0.0230 0.5078 0.3487 ( 33821 PWs) bands (ev):
-15.5434 -15.5434 -15.5433 -15.5433 -8.3580 -8.3580 -8.1086 -8.1086
-7.7812 -7.7812 -7.7395 -7.7395 -7.7352 -7.7352 -7.6865 -7.6865
-4.3008 -4.3008 -4.2996 -4.2996 -2.8810 -2.8810 -2.8774 -2.8774
-2.8430 -2.8430 -2.8406 -2.8406 -1.5590 -1.5590 -1.2498 -1.2498
-0.9928 -0.9928 -0.6104 -0.6104 -0.4919 -0.4919 -0.2070 -0.2070
-0.0241 -0.0241 0.3047 0.3047 0.3952 0.3952 0.5914 0.5914
0.6656 0.6656 1.2874 1.2874 1.9113 1.9113 1.9920 1.9920
2.2331 2.2331 2.3646 2.3646 2.4713 2.4713 2.5236 2.5236
2.6702 2.6702 2.7436 2.7436 2.9351 2.9351 3.0223 3.0223
3.3068 3.3068 3.3994 3.3994 3.5680 3.5680 3.5865 3.5865
3.9954 3.9954 4.7326 4.7326 6.8901 6.8901 6.9139 6.9139
8.8965 8.8965 8.9049 8.9049 9.1128 9.1128 9.1311 9.1311
9.2861 9.2861
k = 0.0000 0.5003 0.3593 ( 33820 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3580 -8.3580 -8.1088 -8.1088
-7.7810 -7.7810 -7.7396 -7.7396 -7.7352 -7.7352 -7.6863 -7.6863
-4.3008 -4.3008 -4.2996 -4.2996 -2.8812 -2.8812 -2.8775 -2.8775
-2.8430 -2.8430 -2.8406 -2.8406 -1.5590 -1.5590 -1.2491 -1.2491
-0.9914 -0.9914 -0.6103 -0.6103 -0.4932 -0.4932 -0.2082 -0.2082
-0.0245 -0.0245 0.3045 0.3045 0.3950 0.3950 0.5887 0.5887
0.6650 0.6650 1.2875 1.2875 1.9141 1.9141 1.9911 1.9911
2.2345 2.2345 2.3669 2.3669 2.4772 2.4772 2.5190 2.5190
2.6703 2.6703 2.7430 2.7430 2.9358 2.9358 3.0225 3.0225
3.3089 3.3089 3.4005 3.4005 3.5678 3.5678 3.5861 3.5861
3.9976 3.9976 4.7309 4.7309 6.8844 6.8844 6.9104 6.9104
8.8922 8.8922 8.9009 8.9009 9.1097 9.1097 9.1293 9.1293
9.2827 9.2827
k = 0.0000 0.5003 0.3593 ( 33820 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3580 -8.3580 -8.1088 -8.1088
-7.7810 -7.7810 -7.7396 -7.7396 -7.7352 -7.7352 -7.6863 -7.6863
-4.3008 -4.3008 -4.2996 -4.2996 -2.8812 -2.8812 -2.8775 -2.8775
-2.8430 -2.8430 -2.8406 -2.8406 -1.5590 -1.5590 -1.2491 -1.2491
-0.9914 -0.9914 -0.6103 -0.6103 -0.4932 -0.4932 -0.2082 -0.2082
-0.0245 -0.0245 0.3045 0.3045 0.3950 0.3950 0.5887 0.5887
0.6650 0.6650 1.2875 1.2875 1.9141 1.9141 1.9911 1.9911
2.2345 2.2345 2.3669 2.3669 2.4772 2.4772 2.5190 2.5190
2.6703 2.6703 2.7430 2.7430 2.9358 2.9358 3.0225 3.0225
3.3089 3.3089 3.4005 3.4005 3.5678 3.5678 3.5861 3.5861
3.9976 3.9976 4.7309 4.7309 6.8844 6.8844 6.9104 6.9104
8.8922 8.8922 8.9009 8.9009 9.1097 9.1097 9.1293 9.1293
9.2827 9.2827
k = 0.0132 0.4867 0.3782 ( 33818 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3579 -8.3579 -8.1086 -8.1086
-7.7814 -7.7814 -7.7427 -7.7427 -7.7322 -7.7322 -7.6863 -7.6863
-4.3009 -4.3009 -4.2995 -4.2995 -2.8813 -2.8813 -2.8770 -2.8770
-2.8431 -2.8431 -2.8405 -2.8405 -1.5602 -1.5602 -1.2494 -1.2494
-0.9912 -0.9912 -0.6115 -0.6115 -0.4935 -0.4935 -0.2046 -0.2046
-0.0228 -0.0228 0.3050 0.3050 0.3958 0.3958 0.5885 0.5885
0.6663 0.6663 1.2876 1.2876 1.9131 1.9131 1.9909 1.9909
2.2336 2.2336 2.3657 2.3657 2.4754 2.4754 2.5193 2.5193
2.6695 2.6695 2.7424 2.7424 2.9321 2.9321 3.0264 3.0264
3.3065 3.3065 3.3990 3.3990 3.5608 3.5608 3.5912 3.5912
3.9867 3.9867 4.7419 4.7419 6.8865 6.8865 6.9179 6.9179
8.8963 8.8963 8.9049 8.9049 9.1047 9.1047 9.1406 9.1406
9.2841 9.2841
k = 0.0263 0.4731 0.3971 ( 33832 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3574 -8.3574 -8.1083 -8.1083
-7.7824 -7.7824 -7.7473 -7.7473 -7.7278 -7.7278 -7.6864 -7.6864
-4.3009 -4.3009 -4.2991 -4.2991 -2.8815 -2.8815 -2.8757 -2.8757
-2.8431 -2.8431 -2.8403 -2.8403 -1.5640 -1.5640 -1.2501 -1.2501
-0.9907 -0.9907 -0.6147 -0.6147 -0.4946 -0.4946 -0.1941 -0.1941
-0.0177 -0.0177 0.3065 0.3065 0.3983 0.3983 0.5879 0.5879
0.6703 0.6703 1.2879 1.2879 1.9104 1.9104 1.9903 1.9903
2.2309 2.2309 2.3622 2.3622 2.4702 2.4702 2.5197 2.5197
2.6670 2.6670 2.7406 2.7406 2.9229 2.9229 3.0366 3.0366
3.2990 3.2990 3.3946 3.3946 3.5474 3.5474 3.5989 3.5989
3.9564 3.9564 4.7729 4.7729 6.8935 6.8935 6.9396 6.9396
8.9084 8.9084 8.9170 8.9170 9.1003 9.1003 9.1636 9.1636
9.2883 9.2883
k = 0.0395 0.4595 0.4160 ( 33826 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3565 -8.3565 -8.1077 -8.1077
-7.7840 -7.7840 -7.7521 -7.7521 -7.7234 -7.7234 -7.6864 -7.6864
-4.3009 -4.3009 -4.2985 -4.2985 -2.8815 -2.8815 -2.8739 -2.8739
-2.8433 -2.8433 -2.8400 -2.8400 -1.5700 -1.5700 -1.2514 -1.2514
-0.9899 -0.9899 -0.6197 -0.6197 -0.4963 -0.4963 -0.1776 -0.1776
-0.0095 -0.0095 0.3093 0.3093 0.4026 0.4026 0.5872 0.5872
0.6767 0.6767 1.2884 1.2884 1.9060 1.9060 1.9892 1.9892
2.2261 2.2261 2.3569 2.3569 2.4619 2.4619 2.5195 2.5195
2.6630 2.6630 2.7378 2.7378 2.9108 2.9108 3.0500 3.0500
3.2863 3.2863 3.3876 3.3876 3.5321 3.5321 3.6055 3.6055
3.9122 3.9122 4.8187 4.8187 6.9063 6.9063 6.9740 6.9740
8.9282 8.9282 8.9369 8.9369 9.1011 9.1011 9.1937 9.1937
9.2956 9.2956
k = 0.0526 0.4459 0.4349 ( 33830 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3554 -8.3554 -8.1069 -8.1069
-7.7863 -7.7863 -7.7568 -7.7568 -7.7192 -7.7192 -7.6865 -7.6865
-4.3008 -4.3008 -4.2978 -4.2978 -2.8812 -2.8812 -2.8718 -2.8718
-2.8434 -2.8434 -2.8396 -2.8396 -1.5780 -1.5780 -1.2530 -1.2530
-0.9889 -0.9889 -0.6258 -0.6258 -0.4984 -0.4984 -0.1565 -0.1565
0.0015 0.0015 0.3136 0.3136 0.4087 0.4087 0.5868 0.5868
0.6855 0.6855 1.2890 1.2890 1.9001 1.9001 1.9876 1.9876
2.2188 2.2188 2.3500 2.3500 2.4507 2.4507 2.5181 2.5181
2.6577 2.6577 2.7342 2.7342 2.8979 2.8979 3.0643 3.0643
3.2682 3.2682 3.3784 3.3784 3.5160 3.5160 3.6103 3.6103
3.8602 3.8602 4.8737 4.8737 6.9249 6.9249 7.0204 7.0204
8.9553 8.9553 8.9642 8.9642 9.1077 9.1077 9.2299 9.2299
9.3061 9.3061
k = 0.0658 0.4323 0.4538 ( 33820 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3541 -8.3541 -8.1060 -8.1060
-7.7891 -7.7891 -7.7615 -7.7615 -7.7151 -7.7151 -7.6865 -7.6865
-4.3005 -4.3005 -4.2971 -4.2971 -2.8805 -2.8805 -2.8694 -2.8694
-2.8435 -2.8435 -2.8392 -2.8392 -1.5878 -1.5878 -1.2550 -1.2550
-0.9876 -0.9876 -0.6324 -0.6324 -0.5008 -0.5008 -0.1325 -0.1325
0.0149 0.0149 0.3196 0.3196 0.4169 0.4169 0.5869 0.5869
0.6964 0.6964 1.2895 1.2895 1.8928 1.8928 1.9854 1.9854
2.2087 2.2087 2.3421 2.3421 2.4366 2.4366 2.5149 2.5149
2.6514 2.6514 2.7300 2.7300 2.8849 2.8849 3.0783 3.0783
3.2453 3.2453 3.3669 3.3669 3.5001 3.5001 3.6133 3.6133
3.8060 3.8060 4.9334 4.9334 6.9491 6.9491 7.0778 7.0778
8.9890 8.9890 8.9983 8.9983 9.1201 9.1201 9.2714 9.2714
9.3205 9.3205
k = 0.0789 0.4188 0.4727 ( 33802 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3524 -8.3524 -8.1048 -8.1048
-7.7924 -7.7924 -7.7661 -7.7661 -7.7113 -7.7113 -7.6866 -7.6866
-4.3002 -4.3002 -4.2962 -4.2962 -2.8795 -2.8795 -2.8668 -2.8668
-2.8435 -2.8435 -2.8388 -2.8388 -1.5989 -1.5989 -1.2573 -1.2573
-0.9862 -0.9862 -0.6392 -0.6392 -0.5033 -0.5033 -0.1072 -0.1072
0.0302 0.0302 0.3276 0.3276 0.4276 0.4276 0.5881 0.5881
0.7095 0.7095 1.2898 1.2898 1.8843 1.8843 1.9825 1.9825
2.1954 2.1954 2.3329 2.3329 2.4200 2.4200 2.5096 2.5096
2.6444 2.6444 2.7257 2.7257 2.8721 2.8721 3.0909 3.0909
3.2186 3.2186 3.3527 3.3527 3.4851 3.4851 3.6140 3.6140
3.7543 3.7543 4.9946 4.9946 6.9787 6.9787 7.1451 7.1451
9.0281 9.0281 9.0385 9.0385 9.1385 9.1385 9.3146 9.3146
9.3417 9.3417
k = 0.0921 0.4052 0.4916 ( 33814 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3506 -8.3506 -8.1035 -8.1035
-7.7960 -7.7960 -7.7706 -7.7706 -7.7077 -7.7077 -7.6868 -7.6868
-4.2998 -4.2998 -4.2954 -4.2954 -2.8782 -2.8782 -2.8641 -2.8641
-2.8435 -2.8435 -2.8384 -2.8384 -1.6110 -1.6110 -1.2598 -1.2598
-0.9847 -0.9847 -0.6457 -0.6457 -0.5059 -0.5059 -0.0821 -0.0821
0.0466 0.0466 0.3371 0.3371 0.4412 0.4412 0.5909 0.5909
0.7248 0.7248 1.2898 1.2898 1.8746 1.8746 1.9790 1.9790
2.1788 2.1788 2.3211 2.3211 2.4019 2.4019 2.5022 2.5022
2.6370 2.6370 2.7215 2.7215 2.8598 2.8598 3.1010 3.1010
3.1902 3.1902 3.3351 3.3351 3.4719 3.4719 3.6109 3.6109
3.7097 3.7097 5.0548 5.0548 7.0133 7.0133 7.2211 7.2211
9.0712 9.0712 9.0840 9.0840 9.1636 9.1636 9.3467 9.3467
9.3815 9.3815
k = 0.1053 0.3916 0.5106 ( 33822 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3487 -8.3487 -8.1021 -8.1021
-7.7999 -7.7999 -7.7749 -7.7749 -7.7044 -7.7044 -7.6869 -7.6869
-4.2992 -4.2992 -4.2945 -4.2945 -2.8766 -2.8766 -2.8614 -2.8614
-2.8434 -2.8434 -2.8379 -2.8379 -1.6236 -1.6236 -1.2624 -1.2624
-0.9832 -0.9832 -0.6517 -0.6517 -0.5085 -0.5085 -0.0588 -0.0588
0.0638 0.0638 0.3476 0.3476 0.4583 0.4583 0.5962 0.5962
0.7424 0.7424 1.2893 1.2893 1.8641 1.8641 1.9748 1.9748
2.1591 2.1591 2.3042 2.3042 2.3847 2.3847 2.4931 2.4931
2.6294 2.6294 2.7176 2.7176 2.8477 2.8477 3.1063 3.1063
3.1636 3.1636 3.3138 3.3138 3.4613 3.4613 3.6010 3.6010
3.6772 3.6772 5.1126 5.1126 7.0525 7.0525 7.3046 7.3046
9.1158 9.1158 9.1336 9.1336 9.1961 9.1961 9.3709 9.3709
9.4354 9.4354
k = 0.1184 0.3780 0.5295 ( 33826 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3466 -8.3466 -8.1006 -8.1006
-7.8039 -7.8039 -7.7790 -7.7790 -7.7014 -7.7014 -7.6871 -7.6871
-4.2987 -4.2987 -4.2936 -4.2936 -2.8749 -2.8749 -2.8587 -2.8587
-2.8433 -2.8433 -2.8375 -2.8375 -1.6363 -1.6363 -1.2652 -1.2652
-0.9817 -0.9817 -0.6570 -0.6570 -0.5110 -0.5110 -0.0383 -0.0383
0.0811 0.0811 0.3581 0.3581 0.4781 0.4781 0.6056 0.6056
0.7624 0.7624 1.2879 1.2879 1.8525 1.8525 1.9698 1.9698
2.1365 2.1365 2.2790 2.2790 2.3714 2.3714 2.4830 2.4830
2.6213 2.6213 2.7143 2.7143 2.8360 2.8360 3.1012 3.1012
3.1453 3.1453 3.2894 3.2894 3.4537 3.4537 3.5826 3.5826
3.6598 3.6598 5.1666 5.1666 7.0957 7.0957 7.3940 7.3940
9.1594 9.1594 9.1861 9.1861 9.2371 9.2371 9.3952 9.3952
9.4924 9.4924
k = 0.1316 0.3644 0.5484 ( 33824 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3445 -8.3445 -8.0991 -8.0991
-7.8080 -7.8080 -7.7829 -7.7829 -7.6986 -7.6986 -7.6873 -7.6873
-4.2980 -4.2980 -4.2928 -4.2928 -2.8729 -2.8729 -2.8562 -2.8562
-2.8431 -2.8431 -2.8372 -2.8372 -1.6489 -1.6489 -1.2679 -1.2679
-0.9802 -0.9802 -0.6617 -0.6617 -0.5133 -0.5133 -0.0211 -0.0211
0.0981 0.0981 0.3680 0.3680 0.4986 0.4986 0.6215 0.6215
0.7850 0.7850 1.2854 1.2854 1.8400 1.8400 1.9640 1.9640
2.1115 2.1115 2.2450 2.2450 2.3631 2.3631 2.4725 2.4725
2.6128 2.6128 2.7117 2.7117 2.8245 2.8245 3.0835 3.0835
3.1381 3.1381 3.2641 3.2641 3.4487 3.4487 3.5603 3.5603
3.6526 3.6526 5.2162 5.2162 7.1422 7.1422 7.4880 7.4880
9.2010 9.2010 9.2396 9.2396 9.2853 9.2853 9.4206 9.4206
9.5420 9.5420
k = 0.1447 0.3509 0.5673 ( 33832 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3423 -8.3423 -8.0975 -8.0975
-7.8119 -7.8119 -7.7866 -7.7866 -7.6962 -7.6962 -7.6875 -7.6875
-4.2974 -4.2974 -4.2920 -4.2920 -2.8709 -2.8709 -2.8539 -2.8539
-2.8428 -2.8428 -2.8368 -2.8368 -1.6610 -1.6610 -1.2705 -1.2705
-0.9788 -0.9788 -0.6658 -0.6658 -0.5155 -0.5155 -0.0074 -0.0074
0.1144 0.1144 0.3768 0.3768 0.5164 0.5164 0.6467 0.6467
0.8105 0.8105 1.2816 1.2816 1.8262 1.8262 1.9570 1.9570
2.0850 2.0850 2.2047 2.2047 2.3583 2.3583 2.4623 2.4623
2.6039 2.6039 2.7097 2.7097 2.8134 2.8134 3.0619 3.0619
3.1330 3.1330 3.2411 3.2411 3.4460 3.4460 3.5391 3.5391
3.6498 3.6498 5.2609 5.2609 7.1908 7.1908 7.5851 7.5851
9.2413 9.2413 9.2915 9.2915 9.3374 9.3374 9.4469 9.4469
9.5698 9.5698
k = 0.1579 0.3373 0.5862 ( 33834 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3403 -8.3403 -8.0960 -8.0960
-7.8157 -7.8157 -7.7901 -7.7901 -7.6940 -7.6940 -7.6877 -7.6877
-4.2968 -4.2968 -4.2912 -4.2912 -2.8689 -2.8689 -2.8519 -2.8519
-2.8424 -2.8424 -2.8364 -2.8364 -1.6722 -1.6722 -1.2730 -1.2730
-0.9775 -0.9775 -0.6691 -0.6691 -0.5175 -0.5175 0.0031 0.0031
0.1295 0.1295 0.3844 0.3844 0.5294 0.5294 0.6812 0.6812
0.8389 0.8389 1.2761 1.2761 1.8107 1.8107 1.9483 1.9483
2.0580 2.0580 2.1615 2.1615 2.3558 2.3558 2.4529 2.4529
2.5946 2.5946 2.7084 2.7084 2.8030 2.8030 3.0418 3.0418
3.1239 3.1239 3.2235 3.2235 3.4450 3.4450 3.5208 3.5208
3.6490 3.6490 5.3003 5.3003 7.2404 7.2404 7.6836 7.6836
9.2809 9.2809 9.3371 9.3371 9.3892 9.3892 9.4742 9.4742
9.5904 9.5904
k = 0.1711 0.3237 0.6051 ( 33836 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3384 -8.3384 -8.0946 -8.0946
-7.8191 -7.8191 -7.7932 -7.7932 -7.6921 -7.6921 -7.6879 -7.6879
-4.2961 -4.2961 -4.2906 -4.2906 -2.8669 -2.8669 -2.8503 -2.8503
-2.8420 -2.8420 -2.8360 -2.8360 -1.6825 -1.6825 -1.2753 -1.2753
-0.9764 -0.9764 -0.6719 -0.6719 -0.5193 -0.5193 0.0109 0.0109
0.1431 0.1431 0.3909 0.3909 0.5383 0.5383 0.7223 0.7223
0.8707 0.8707 1.2686 1.2686 1.7927 1.7927 1.9369 1.9369
2.0323 2.0323 2.1191 2.1191 2.3546 2.3546 2.4445 2.4445
2.5851 2.5851 2.7077 2.7077 2.7935 2.7935 3.0247 3.0247
3.1099 3.1099 3.2126 3.2126 3.4451 3.4451 3.5054 3.5054
3.6490 3.6490 5.3343 5.3343 7.2894 7.2894 7.7814 7.7814
9.3185 9.3185 9.3708 9.3708 9.4360 9.4360 9.5033 9.5033
9.6101 9.6101
k = 0.1842 0.3101 0.6240 ( 33848 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3366 -8.3366 -8.0933 -8.0933
-7.8222 -7.8222 -7.7959 -7.7959 -7.6906 -7.6906 -7.6880 -7.6880
-4.2956 -4.2956 -4.2900 -4.2900 -2.8650 -2.8650 -2.8490 -2.8490
-2.8417 -2.8417 -2.8355 -2.8355 -1.6914 -1.6914 -1.2774 -1.2774
-0.9754 -0.9754 -0.6741 -0.6741 -0.5208 -0.5208 0.0165 0.0165
0.1549 0.1549 0.3965 0.3965 0.5442 0.5442 0.7656 0.7656
0.9059 0.9059 1.2591 1.2591 1.7712 1.7712 1.9218 1.9218
2.0106 2.0106 2.0811 2.0811 2.3542 2.3542 2.4375 2.4375
2.5757 2.5757 2.7075 2.7075 2.7851 2.7851 3.0107 3.0107
3.0932 3.0932 3.2069 3.2069 3.4461 3.4461 3.4927 3.4927
3.6494 3.6494 5.3628 5.3628 7.3359 7.3359 7.8762 7.8762
9.3477 9.3477 9.3909 9.3909 9.4725 9.4725 9.5344 9.5344
9.6285 9.6285
k = 0.1974 0.2965 0.6429 ( 33850 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3351 -8.3351 -8.0922 -8.0922
-7.8249 -7.8249 -7.7982 -7.7982 -7.6894 -7.6894 -7.6880 -7.6880
-4.2951 -4.2951 -4.2895 -4.2895 -2.8633 -2.8633 -2.8480 -2.8480
-2.8415 -2.8415 -2.8350 -2.8350 -1.6990 -1.6990 -1.2791 -1.2791
-0.9745 -0.9745 -0.6758 -0.6758 -0.5221 -0.5221 0.0204 0.0204
0.1646 0.1646 0.4011 0.4011 0.5483 0.5483 0.8067 0.8067
0.9444 0.9444 1.2476 1.2476 1.7454 1.7454 1.9038 1.9038
1.9951 1.9951 2.0493 2.0493 2.3541 2.3541 2.4320 2.4320
2.5670 2.5670 2.7076 2.7076 2.7780 2.7780 2.9999 2.9999
3.0765 3.0765 3.2043 3.2043 3.4475 3.4475 3.4824 3.4824
3.6500 3.6500 5.3861 5.3861 7.3781 7.3781 7.9648 7.9648
9.3517 9.3517 9.4088 9.4088 9.4969 9.4969 9.5640 9.5640
9.6445 9.6445
k = 0.2105 0.2830 0.6618 ( 33858 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3339 -8.3339 -8.0913 -8.0913
-7.8270 -7.8270 -7.8001 -7.8001 -7.6889 -7.6889 -7.6876 -7.6876
-4.2946 -4.2946 -4.2891 -4.2891 -2.8619 -2.8619 -2.8471 -2.8471
-2.8416 -2.8416 -2.8344 -2.8344 -1.7050 -1.7050 -1.2805 -1.2805
-0.9738 -0.9738 -0.6771 -0.6771 -0.5231 -0.5231 0.0231 0.0231
0.1723 0.1723 0.4046 0.4046 0.5511 0.5511 0.8421 0.8421
0.9844 0.9844 1.2345 1.2345 1.7165 1.7165 1.8864 1.8864
1.9857 1.9857 2.0244 2.0244 2.3543 2.3543 2.4279 2.4279
2.5595 2.5595 2.7079 2.7079 2.7723 2.7723 2.9920 2.9920
3.0621 3.0621 3.2032 3.2032 3.4493 3.4493 3.4741 3.4741
3.6506 3.6506 5.4040 5.4040 7.4139 7.4139 8.0430 8.0430
9.3314 9.3314 9.4209 9.4209 9.5189 9.5189 9.5873 9.5873
9.6601 9.6601
k = 0.2237 0.2694 0.6807 ( 33874 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3330 -8.3330 -8.0906 -8.0906
-7.8285 -7.8285 -7.8014 -7.8014 -7.6888 -7.6888 -7.6871 -7.6871
-4.2943 -4.2943 -4.2889 -4.2889 -2.8608 -2.8608 -2.8464 -2.8464
-2.8418 -2.8418 -2.8339 -2.8339 -1.7094 -1.7094 -1.2816 -1.2816
-0.9733 -0.9733 -0.6780 -0.6780 -0.5238 -0.5238 0.0247 0.0247
0.1777 0.1777 0.4072 0.4072 0.5529 0.5529 0.8691 0.8691
1.0222 1.0222 1.2208 1.2208 1.6885 1.6885 1.8730 1.8730
1.9811 1.9811 2.0059 2.0059 2.3544 2.3544 2.4251 2.4251
2.5537 2.5537 2.7082 2.7082 2.7683 2.7683 2.9867 2.9867
3.0511 3.0511 3.2028 3.2028 3.4513 3.4513 3.4676 3.4676
3.6511 3.6511 5.4167 5.4167 7.4413 7.4413 8.1056 8.1056
9.3034 9.3034 9.4190 9.4190 9.5488 9.5488 9.6015 9.6015
9.6755 9.6755
k = 0.2368 0.2558 0.6997 ( 33876 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3324 -8.3324 -8.0902 -8.0902
-7.8295 -7.8295 -7.8023 -7.8023 -7.6888 -7.6888 -7.6867 -7.6867
-4.2941 -4.2941 -4.2887 -4.2887 -2.8602 -2.8602 -2.8460 -2.8460
-2.8420 -2.8420 -2.8336 -2.8336 -1.7120 -1.7120 -1.2822 -1.2822
-0.9730 -0.9730 -0.6785 -0.6785 -0.5242 -0.5242 0.0256 0.0256
0.1810 0.1810 0.4088 0.4088 0.5540 0.5540 0.8861 0.8861
1.0510 1.0510 1.2090 1.2090 1.6677 1.6677 1.8648 1.8648
1.9803 1.9803 1.9934 1.9934 2.3545 2.3545 2.4235 2.4235
2.5500 2.5500 2.7084 2.7084 2.7658 2.7658 2.9837 2.9837
3.0441 3.0441 3.2027 3.2027 3.4536 3.4536 3.4627 3.4627
3.6515 3.6515 5.4243 5.4243 7.4584 7.4584 8.1467 8.1467
9.2805 9.2805 9.4124 9.4124 9.5813 9.5813 9.6087 9.6087
9.6744 9.6744
k = 0.2500 0.2422 0.7186 ( 33880 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3322 -8.3322 -8.0900 -8.0900
-7.8298 -7.8298 -7.8025 -7.8025 -7.6888 -7.6888 -7.6866 -7.6866
-4.2941 -4.2941 -4.2887 -4.2887 -2.8599 -2.8599 -2.8458 -2.8458
-2.8421 -2.8421 -2.8334 -2.8334 -1.7129 -1.7129 -1.2824 -1.2824
-0.9729 -0.9729 -0.6786 -0.6786 -0.5243 -0.5243 0.0259 0.0259
0.1820 0.1820 0.4093 0.4093 0.5543 0.5543 0.8920 0.8920
1.0623 1.0623 1.2040 1.2040 1.6599 1.6599 1.8621 1.8621
1.9816 1.9816 1.9878 1.9878 2.3545 2.3545 2.4230 2.4230
2.5487 2.5487 2.7085 2.7085 2.7650 2.7650 2.9827 2.9827
3.0418 3.0418 3.2026 3.2026 3.4551 3.4551 3.4604 3.4604
3.6516 3.6516 5.4268 5.4268 7.4643 7.4643 8.1611 8.1611
9.2718 9.2718 9.4094 9.4094 9.5985 9.5985 9.6121 9.6121
9.6611 9.6611
k = 0.2500 0.2422 0.7186 ( 33880 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3322 -8.3322 -8.0900 -8.0900
-7.8298 -7.8298 -7.8025 -7.8025 -7.6888 -7.6888 -7.6866 -7.6866
-4.2941 -4.2941 -4.2887 -4.2887 -2.8599 -2.8599 -2.8458 -2.8458
-2.8421 -2.8421 -2.8334 -2.8334 -1.7129 -1.7129 -1.2824 -1.2824
-0.9729 -0.9729 -0.6786 -0.6786 -0.5243 -0.5243 0.0259 0.0259
0.1820 0.1820 0.4093 0.4093 0.5543 0.5543 0.8920 0.8920
1.0623 1.0623 1.2040 1.2040 1.6599 1.6599 1.8621 1.8621
1.9816 1.9816 1.9878 1.9878 2.3545 2.3545 2.4230 2.4230
2.5487 2.5487 2.7085 2.7085 2.7650 2.7650 2.9827 2.9827
3.0418 3.0418 3.2026 3.2026 3.4551 3.4551 3.4604 3.4604
3.6516 3.6516 5.4268 5.4268 7.4643 7.4643 8.1611 8.1611
9.2718 9.2718 9.4094 9.4094 9.5985 9.5985 9.6121 9.6121
9.6611 9.6611
k = 0.2632 0.2550 0.7008 ( 33870 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3324 -8.3324 -8.0899 -8.0899
-7.8296 -7.8296 -7.8024 -7.8024 -7.6891 -7.6891 -7.6865 -7.6865
-4.2941 -4.2941 -4.2887 -4.2887 -2.8600 -2.8600 -2.8459 -2.8459
-2.8420 -2.8420 -2.8335 -2.8335 -1.7126 -1.7126 -1.2824 -1.2824
-0.9741 -0.9741 -0.6786 -0.6786 -0.5231 -0.5231 0.0252 0.0252
0.1818 0.1818 0.4092 0.4092 0.5560 0.5560 0.8894 0.8894
1.0577 1.0577 1.2062 1.2062 1.6628 1.6628 1.8626 1.8626
1.9725 1.9725 1.9990 1.9990 2.3530 2.3530 2.4226 2.4226
2.5501 2.5501 2.7070 2.7070 2.7667 2.7667 2.9830 2.9830
3.0422 3.0422 3.2027 3.2027 3.4449 3.4449 3.4695 3.4695
3.6529 3.6529 5.4272 5.4272 7.4636 7.4636 8.1553 8.1553
9.2650 9.2650 9.4160 9.4160 9.5898 9.5898 9.6130 9.6130
9.6658 9.6658
k = 0.2763 0.2677 0.6831 ( 33866 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3329 -8.3329 -8.0896 -8.0896
-7.8292 -7.8292 -7.8021 -7.8021 -7.6898 -7.6898 -7.6862 -7.6862
-4.2941 -4.2941 -4.2888 -4.2888 -2.8603 -2.8603 -2.8461 -2.8461
-2.8418 -2.8418 -2.8336 -2.8336 -1.7114 -1.7114 -1.2823 -1.2823
-0.9775 -0.9775 -0.6785 -0.6785 -0.5193 -0.5193 0.0231 0.0231
0.1812 0.1812 0.4086 0.4086 0.5609 0.5609 0.8812 0.8812
1.0468 1.0468 1.2116 1.2116 1.6707 1.6707 1.8632 1.8632
1.9629 1.9629 2.0153 2.0153 2.3489 2.3489 2.4215 2.4215
2.5539 2.5539 2.7026 2.7026 2.7716 2.7716 2.9837 2.9837
3.0434 3.0434 3.2029 3.2029 3.4322 3.4322 3.4795 3.4795
3.6566 3.6566 5.4281 5.4281 7.4625 7.4625 8.1382 8.1382
9.2436 9.2436 9.4377 9.4377 9.5732 9.5732 9.6121 9.6121
9.6693 9.6693
k = 0.2895 0.2805 0.6653 ( 33869 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3336 -8.3336 -8.0892 -8.0892
-7.8285 -7.8285 -7.8014 -7.8014 -7.6907 -7.6907 -7.6860 -7.6860
-4.2942 -4.2942 -4.2889 -4.2889 -2.8606 -2.8606 -2.8466 -2.8466
-2.8414 -2.8414 -2.8339 -2.8339 -1.7096 -1.7096 -1.2821 -1.2821
-0.9828 -0.9828 -0.6782 -0.6782 -0.5134 -0.5134 0.0196 0.0196
0.1801 0.1801 0.4075 0.4075 0.5685 0.5685 0.8672 0.8672
1.0342 1.0342 1.2178 1.2178 1.6818 1.6818 1.8628 1.8628
1.9553 1.9553 2.0343 2.0343 2.3428 2.3428 2.4202 2.4202
2.5595 2.5595 2.6962 2.6962 2.7788 2.7788 2.9847 2.9847
3.0452 3.0452 3.2036 3.2036 3.4196 3.4196 3.4882 3.4882
3.6620 3.6620 5.4287 5.4287 7.4620 7.4620 8.1118 8.1118
9.2120 9.2120 9.4664 9.4664 9.5605 9.5605 9.6029 9.6029
9.6659 9.6660
k = 0.3026 0.2932 0.6476 ( 33860 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3345 -8.3345 -8.0889 -8.0889
-7.8275 -7.8275 -7.8006 -7.8006 -7.6918 -7.6918 -7.6860 -7.6860
-4.2942 -4.2942 -4.2891 -4.2891 -2.8609 -2.8609 -2.8471 -2.8471
-2.8410 -2.8410 -2.8342 -2.8342 -1.7070 -1.7070 -1.2819 -1.2819
-0.9899 -0.9899 -0.6779 -0.6779 -0.5055 -0.5055 0.0149 0.0149
0.1786 0.1786 0.4060 0.4060 0.5782 0.5782 0.8485 0.8485
1.0229 1.0229 1.2236 1.2236 1.6937 1.6937 1.8608 1.8608
1.9501 1.9501 2.0555 2.0555 2.3357 2.3357 2.4191 2.4191
2.5662 2.5662 2.6886 2.6886 2.7872 2.7872 2.9856 2.9856
3.0472 3.0472 3.2052 3.2052 3.4079 3.4079 3.4959 3.4959
3.6684 3.6684 5.4284 5.4284 7.4633 7.4633 8.0788 8.0788
9.1764 9.1764 9.4840 9.4840 9.5600 9.5600 9.5905 9.5905
9.6653 9.6653
k = 0.3158 0.3060 0.6298 ( 33839 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3355 -8.3355 -8.0886 -8.0886
-7.8264 -7.8264 -7.7994 -7.7994 -7.6929 -7.6929 -7.6861 -7.6861
-4.2943 -4.2943 -4.2893 -4.2893 -2.8612 -2.8612 -2.8477 -2.8477
-2.8405 -2.8405 -2.8345 -2.8345 -1.7037 -1.7037 -1.2815 -1.2815
-0.9983 -0.9983 -0.6775 -0.6775 -0.4961 -0.4961 0.0091 0.0091
0.1765 0.1765 0.4040 0.4040 0.5889 0.5889 0.8277 0.8277
1.0139 1.0139 1.2285 1.2285 1.7041 1.7041 1.8572 1.8572
1.9468 1.9468 2.0783 2.0783 2.3286 2.3286 2.4186 2.4186
2.5735 2.5735 2.6805 2.6805 2.7964 2.7964 2.9862 2.9862
3.0494 3.0494 3.2078 3.2078 3.3978 3.3978 3.5028 3.5028
3.6751 3.6751 5.4260 5.4260 7.4673 7.4673 8.0420 8.0420
9.1407 9.1407 9.4830 9.4830 9.5529 9.5529 9.5967 9.5967
9.6612 9.6612
k = 0.3289 0.3187 0.6121 ( 33823 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3364 -8.3364 -8.0885 -8.0885
-7.8251 -7.8251 -7.7979 -7.7979 -7.6942 -7.6942 -7.6865 -7.6865
-4.2943 -4.2943 -4.2895 -4.2895 -2.8615 -2.8615 -2.8483 -2.8483
-2.8401 -2.8401 -2.8349 -2.8349 -1.6997 -1.6997 -1.2810 -1.2810
-1.0077 -1.0077 -0.6770 -0.6770 -0.4857 -0.4857 0.0023 0.0023
0.1738 0.1738 0.4013 0.4013 0.5986 0.5986 0.8088 0.8088
1.0068 1.0068 1.2324 1.2324 1.7110 1.7110 1.8524 1.8524
1.9450 1.9450 2.1013 2.1013 2.3227 2.3227 2.4191 2.4191
2.5809 2.5809 2.6724 2.6724 2.8057 2.8057 2.9860 2.9860
3.0515 3.0515 3.2114 3.2114 3.3904 3.3904 3.5091 3.5091
3.6817 3.6817 5.4206 5.4206 7.4749 7.4749 8.0040 8.0040
9.1074 9.1074 9.4759 9.4759 9.5362 9.5362 9.6017 9.6017
9.6582 9.6582
k = 0.3421 0.3314 0.5943 ( 33816 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3374 -8.3374 -8.0886 -8.0886
-7.8237 -7.8237 -7.7960 -7.7960 -7.6955 -7.6955 -7.6870 -7.6870
-4.2944 -4.2944 -4.2897 -4.2897 -2.8616 -2.8616 -2.8489 -2.8489
-2.8398 -2.8398 -2.8353 -2.8353 -1.6950 -1.6950 -1.2805 -1.2805
-1.0176 -1.0176 -0.6763 -0.6763 -0.4745 -0.4745 -0.0054 -0.0054
0.1704 0.1704 0.3979 0.3979 0.6047 0.6047 0.7967 0.7967
1.0010 1.0010 1.2354 1.2354 1.7127 1.7127 1.8474 1.8474
1.9440 1.9440 2.1225 2.1225 2.3195 2.3195 2.4209 2.4209
2.5879 2.5879 2.6649 2.6649 2.8150 2.8150 2.9848 2.9848
3.0535 3.0535 3.2156 3.2156 3.3867 3.3867 3.5152 3.5152
3.6877 3.6877 5.4112 5.4112 7.4868 7.4868 7.9667 7.9667
9.0782 9.0782 9.4695 9.4695 9.5206 9.5206 9.5866 9.5866
9.6592 9.6592
k = 0.3553 0.3442 0.5766 ( 33817 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3383 -8.3383 -8.0888 -8.0888
-7.8224 -7.8224 -7.7938 -7.7938 -7.6968 -7.6968 -7.6878 -7.6878
-4.2944 -4.2944 -4.2899 -4.2899 -2.8616 -2.8616 -2.8494 -2.8494
-2.8396 -2.8396 -2.8357 -2.8357 -1.6899 -1.6899 -1.2800 -1.2800
-1.0278 -1.0278 -0.6755 -0.6755 -0.4631 -0.4631 -0.0139 -0.0139
0.1663 0.1663 0.3937 0.3937 0.6044 0.6044 0.7956 0.7956
0.9957 0.9957 1.2377 1.2377 1.7082 1.7082 1.8429 1.8429
1.9435 1.9435 2.1393 2.1393 2.3204 2.3204 2.4245 2.4245
2.5940 2.5940 2.6584 2.6584 2.8241 2.8241 2.9823 2.9823
3.0554 3.0554 3.2196 3.2196 3.3884 3.3884 3.5212 3.5212
3.6927 3.6927 5.3969 5.3969 7.5038 7.5038 7.9316 7.9316
9.0539 9.0539 9.4651 9.4651 9.5083 9.5083 9.5598 9.5598
9.6558 9.6558
k = 0.3684 0.3569 0.5588 ( 33796 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3392 -8.3392 -8.0892 -8.0892
-7.8212 -7.8212 -7.7912 -7.7912 -7.6980 -7.6980 -7.6888 -7.6888
-4.2944 -4.2944 -4.2901 -4.2901 -2.8615 -2.8615 -2.8498 -2.8498
-2.8396 -2.8396 -2.8360 -2.8360 -1.6842 -1.6842 -1.2794 -1.2794
-1.0380 -1.0380 -0.6745 -0.6745 -0.4518 -0.4518 -0.0232 -0.0232
0.1614 0.1614 0.3889 0.3889 0.5974 0.5974 0.8070 0.8070
0.9906 0.9906 1.2394 1.2394 1.6966 1.6966 1.8395 1.8395
1.9435 1.9435 2.1499 2.1499 2.3263 2.3263 2.4303 2.4303
2.5988 2.5988 2.6536 2.6536 2.8326 2.8326 2.9785 2.9785
3.0574 3.0574 3.2221 3.2221 3.3965 3.3965 3.5273 3.5273
3.6967 3.6967 5.3772 5.3772 7.5263 7.5263 7.8997 7.8997
9.0351 9.0351 9.4595 9.4595 9.5005 9.5005 9.5284 9.5284
9.6500 9.6500
k = 0.3816 0.3697 0.5411 ( 33820 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3400 -8.3400 -8.0897 -8.0897
-7.8201 -7.8201 -7.7882 -7.7882 -7.6993 -7.6993 -7.6901 -7.6901
-4.2944 -4.2944 -4.2902 -4.2902 -2.8613 -2.8613 -2.8501 -2.8501
-2.8399 -2.8399 -2.8362 -2.8362 -1.6781 -1.6781 -1.2790 -1.2790
-1.0479 -1.0479 -0.6733 -0.6733 -0.4407 -0.4407 -0.0333 -0.0333
0.1561 0.1561 0.3836 0.3836 0.5858 0.5858 0.8292 0.8292
0.9854 0.9854 1.2406 1.2406 1.6781 1.6781 1.8371 1.8371
1.9441 1.9441 2.1539 2.1539 2.3359 2.3359 2.4387 2.4387
2.6018 2.6018 2.6510 2.6510 2.8406 2.8406 2.9735 2.9735
3.0594 3.0594 3.2224 3.2224 3.4117 3.4117 3.5337 3.5337
3.6996 3.6996 5.3519 5.3519 7.5543 7.5543 7.8716 7.8716
9.0217 9.0217 9.4375 9.4375 9.4984 9.4984 9.5077 9.5077
9.6464 9.6464
k = 0.3947 0.3824 0.5233 ( 33820 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3407 -8.3407 -8.0902 -8.0902
-7.8192 -7.8192 -7.7849 -7.7849 -7.7004 -7.7004 -7.6915 -7.6915
-4.2944 -4.2944 -4.2904 -4.2904 -2.8609 -2.8609 -2.8503 -2.8503
-2.8404 -2.8404 -2.8363 -2.8363 -1.6717 -1.6717 -1.2787 -1.2787
-1.0573 -1.0573 -0.6719 -0.6719 -0.4302 -0.4302 -0.0442 -0.0442
0.1504 0.1504 0.3781 0.3781 0.5724 0.5724 0.8596 0.8596
0.9799 0.9799 1.2415 1.2415 1.6530 1.6530 1.8355 1.8355
1.9456 1.9456 2.1524 2.1524 2.3471 2.3471 2.4500 2.4500
2.6034 2.6034 2.6505 2.6505 2.8479 2.8479 2.9678 2.9678
3.0616 3.0616 3.2207 3.2207 3.4335 3.4335 3.5404 3.5404
3.7012 3.7012 5.3214 5.3214 7.5876 7.5876 7.8475 7.8475
9.0137 9.0137 9.3904 9.3904 9.4988 9.4988 9.5118 9.5118
9.6473 9.6473
k = 0.4079 0.3952 0.5056 ( 33813 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3415 -8.3415 -8.0908 -8.0908
-7.8185 -7.8185 -7.7813 -7.7813 -7.7015 -7.7015 -7.6931 -7.6931
-4.2944 -4.2944 -4.2905 -4.2905 -2.8604 -2.8604 -2.8504 -2.8504
-2.8410 -2.8410 -2.8363 -2.8363 -1.6651 -1.6651 -1.2788 -1.2788
-1.0660 -1.0660 -0.6703 -0.6703 -0.4206 -0.4206 -0.0556 -0.0556
0.1445 0.1445 0.3726 0.3726 0.5592 0.5592 0.8959 0.8959
0.9741 0.9741 1.2421 1.2421 1.6221 1.6221 1.8343 1.8343
1.9479 1.9479 2.1473 2.1473 2.3576 2.3576 2.4636 2.4636
2.6043 2.6043 2.6516 2.6516 2.8543 2.8543 2.9617 2.9617
3.0640 3.0640 3.2172 3.2172 3.4604 3.4604 3.5478 3.5478
3.7017 3.7017 5.2863 5.2863 7.6253 7.6253 7.8276 7.8276
9.0104 9.0104 9.3307 9.3307 9.5043 9.5043 9.5281 9.5281
9.6531 9.6531
k = 0.4211 0.4079 0.4878 ( 33817 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3423 -8.3423 -8.0912 -8.0912
-7.8179 -7.8179 -7.7776 -7.7776 -7.7025 -7.7025 -7.6949 -7.6949
-4.2944 -4.2944 -4.2906 -4.2906 -2.8598 -2.8598 -2.8505 -2.8505
-2.8417 -2.8417 -2.8363 -2.8363 -1.6584 -1.6584 -1.2793 -1.2793
-1.0738 -1.0738 -0.6685 -0.6685 -0.4118 -0.4118 -0.0675 -0.0675
0.1389 0.1389 0.3677 0.3677 0.5469 0.5469 0.9360 0.9360
0.9685 0.9685 1.2426 1.2426 1.5863 1.5863 1.8334 1.8334
1.9510 1.9510 2.1401 2.1401 2.3662 2.3662 2.4786 2.4786
2.6057 2.6057 2.6535 2.6535 2.8595 2.8595 2.9557 2.9557
3.0665 3.0665 3.2128 3.2128 3.4907 3.4907 3.5561 3.5561
3.7013 3.7013 5.2476 5.2476 7.6660 7.6660 7.8118 7.8118
9.0110 9.0110 9.2662 9.2662 9.5162 9.5162 9.5500 9.5500
9.6635 9.6635
k = 0.4342 0.4207 0.4701 ( 33823 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3432 -8.3432 -8.0914 -8.0914
-7.8175 -7.8175 -7.7739 -7.7739 -7.7034 -7.7034 -7.6969 -7.6969
-4.2945 -4.2945 -4.2906 -4.2906 -2.8593 -2.8593 -2.8505 -2.8505
-2.8425 -2.8425 -2.8363 -2.8363 -1.6517 -1.6517 -1.2805 -1.2805
-1.0807 -1.0807 -0.6665 -0.6665 -0.4043 -0.4043 -0.0792 -0.0792
0.1336 0.1336 0.3637 0.3637 0.5360 0.5360 0.9585 0.9585
0.9836 0.9836 1.2432 1.2432 1.5464 1.5464 1.8324 1.8324
1.9549 1.9549 2.1319 2.1319 2.3726 2.3726 2.4934 2.4934
2.6088 2.6088 2.6555 2.6555 2.8635 2.8635 2.9503 2.9503
3.0691 3.0691 3.2079 3.2079 3.5218 3.5218 3.5658 3.5658
3.7004 3.7004 5.2068 5.2068 7.7067 7.7067 7.8007 7.8007
9.0141 9.0141 9.2018 9.2018 9.5348 9.5348 9.5752 9.5752
9.6773 9.6773
k = 0.4474 0.4334 0.4523 ( 33825 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3442 -8.3442 -8.0914 -8.0914
-7.8171 -7.8171 -7.7702 -7.7702 -7.7043 -7.7043 -7.6988 -7.6988
-4.2945 -4.2945 -4.2906 -4.2906 -2.8587 -2.8587 -2.8505 -2.8505
-2.8431 -2.8431 -2.8364 -2.8364 -1.6450 -1.6450 -1.2825 -1.2825
-1.0864 -1.0864 -0.6643 -0.6643 -0.3980 -0.3980 -0.0905 -0.0905
0.1288 0.1288 0.3608 0.3608 0.5265 0.5265 0.9526 0.9526
1.0286 1.0286 1.2442 1.2442 1.5035 1.5035 1.8314 1.8314
1.9591 1.9591 2.1238 2.1238 2.3768 2.3768 2.5070 2.5070
2.6144 2.6144 2.6570 2.6570 2.8661 2.8661 2.9457 2.9457
3.0720 3.0720 3.2029 3.2029 3.5497 3.5497 3.5788 3.5788
3.6998 3.6998 5.1657 5.1657 7.7410 7.7410 7.7980 7.7980
9.0174 9.0174 9.1424 9.1424 9.5601 9.5601 9.6008 9.6008
9.6927 9.6927
k = 0.4605 0.4462 0.4346 ( 33823 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3455 -8.3455 -8.0909 -8.0909
-7.8169 -7.8169 -7.7666 -7.7666 -7.7052 -7.7052 -7.7007 -7.7007
-4.2946 -4.2946 -4.2906 -4.2906 -2.8583 -2.8583 -2.8505 -2.8505
-2.8436 -2.8436 -2.8364 -2.8364 -1.6384 -1.6384 -1.2856 -1.2856
-1.0909 -1.0909 -0.6621 -0.6621 -0.3931 -0.3931 -0.1007 -0.1007
0.1248 0.1248 0.3593 0.3593 0.5181 0.5181 0.9454 0.9454
1.0749 1.0749 1.2464 1.2464 1.4588 1.4588 1.8302 1.8302
1.9634 1.9634 2.1164 2.1164 2.3790 2.3790 2.5185 2.5185
2.6230 2.6230 2.6579 2.6579 2.8671 2.8671 2.9421 2.9421
3.0752 3.0752 3.1980 3.1980 3.5694 3.5694 3.5970 3.5970
3.7008 3.7008 5.1260 5.1260 7.7550 7.7550 7.8140 7.8140
9.0150 9.0150 9.0965 9.0965 9.5917 9.5917 9.6234 9.6234
9.7071 9.7071
k = 0.4737 0.4589 0.4168 ( 33815 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3470 -8.3470 -8.0899 -8.0899
-7.8168 -7.8168 -7.7632 -7.7632 -7.7064 -7.7064 -7.7021 -7.7021
-4.2947 -4.2947 -4.2906 -4.2906 -2.8581 -2.8581 -2.8506 -2.8506
-2.8439 -2.8439 -2.8365 -2.8365 -1.6320 -1.6320 -1.2899 -1.2899
-1.0940 -1.0940 -0.6598 -0.6598 -0.3899 -0.3899 -0.1093 -0.1093
0.1215 0.1215 0.3592 0.3592 0.5107 0.5107 0.9378 0.9378
1.1182 1.1182 1.2516 1.2516 1.4143 1.4143 1.8288 1.8288
1.9673 1.9673 2.1104 2.1104 2.3795 2.3795 2.5278 2.5278
2.6343 2.6343 2.6579 2.6579 2.8668 2.8668 2.9396 2.9396
3.0787 3.0787 3.1934 3.1934 3.5825 3.5825 3.6152 3.6152
3.7055 3.7055 5.0898 5.0898 7.7520 7.7520 7.8412 7.8412
8.9982 8.9982 9.0760 9.0760 9.6227 9.6227 9.6439 9.6439
9.7182 9.7182
k = 0.4868 0.4717 0.3991 ( 33816 PWs) bands (ev):
-15.5434 -15.5434 -15.5432 -15.5432 -8.3489 -8.3489 -8.0883 -8.0883
-7.8167 -7.8167 -7.7602 -7.7602 -7.7082 -7.7082 -7.7028 -7.7028
-4.2949 -4.2949 -4.2905 -4.2905 -2.8583 -2.8583 -2.8506 -2.8506
-2.8440 -2.8440 -2.8366 -2.8366 -1.6259 -1.6259 -1.2957 -1.2957
-1.0956 -1.0956 -0.6577 -0.6577 -0.3884 -0.3884 -0.1155 -0.1155
0.1189 0.1189 0.3605 0.3605 0.5043 0.5043 0.9300 0.9300
1.1510 1.1510 1.2629 1.2629 1.3742 1.3742 1.8271 1.8271
1.9704 1.9704 2.1067 2.1067 2.3785 2.3785 2.5355 2.5355
2.6476 2.6476 2.6572 2.6572 2.8654 2.8654 2.9379 2.9379
3.0826 3.0826 3.1892 3.1892 3.5927 3.5927 3.6271 3.6271
3.7151 3.7151 5.0592 5.0592 7.7420 7.7420 7.8652 7.8652
8.9756 8.9756 9.0755 9.0755 9.6268 9.6268 9.6809 9.6809
9.7271 9.7271
k = 0.5000 0.4844 0.3813 ( 33824 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3512 -8.3512 -8.0860 -8.0860
-7.8166 -7.8166 -7.7576 -7.7576 -7.7102 -7.7102 -7.7029 -7.7029
-4.2952 -4.2952 -4.2905 -4.2905 -2.8590 -2.8590 -2.8505 -2.8505
-2.8440 -2.8440 -2.8367 -2.8367 -1.6201 -1.6201 -1.3029 -1.3029
-1.0957 -1.0957 -0.6557 -0.6557 -0.3888 -0.3888 -0.1189 -0.1189
0.1171 0.1171 0.3634 0.3634 0.4987 0.4987 0.9222 0.9222
1.1644 1.1644 1.2747 1.2747 1.3534 1.3534 1.8249 1.8249
1.9727 1.9727 2.1056 2.1056 2.3763 2.3763 2.5418 2.5418
2.6557 2.6557 2.6624 2.6624 2.8634 2.8634 2.9367 2.9367
3.0870 3.0870 3.1853 3.1853 3.5997 3.5997 3.6338 3.6338
3.7275 3.7275 5.0359 5.0359 7.7253 7.7253 7.8825 7.8825
8.9627 8.9627 9.0815 9.0815 9.6096 9.6096 9.7149 9.7149
9.7399 9.7399
k = 0.5000 0.4844 0.3813 ( 33824 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3512 -8.3512 -8.0860 -8.0860
-7.8166 -7.8166 -7.7576 -7.7576 -7.7102 -7.7102 -7.7029 -7.7029
-4.2952 -4.2952 -4.2905 -4.2905 -2.8590 -2.8590 -2.8505 -2.8505
-2.8440 -2.8440 -2.8367 -2.8367 -1.6201 -1.6201 -1.3029 -1.3029
-1.0957 -1.0957 -0.6557 -0.6557 -0.3888 -0.3888 -0.1189 -0.1189
0.1171 0.1171 0.3634 0.3634 0.4987 0.4987 0.9222 0.9222
1.1644 1.1644 1.2747 1.2747 1.3534 1.3534 1.8249 1.8249
1.9727 1.9727 2.1056 2.1056 2.3763 2.3763 2.5418 2.5418
2.6557 2.6557 2.6624 2.6624 2.8634 2.8634 2.9367 2.9367
3.0870 3.0870 3.1853 3.1853 3.5997 3.5997 3.6338 3.6338
3.7275 3.7275 5.0359 5.0359 7.7253 7.7253 7.8825 7.8825
8.9627 8.9627 9.0815 9.0815 9.6096 9.6096 9.7149 9.7149
9.7399 9.7399
k = 0.5000 0.4844 0.3559 ( 33826 PWs) bands (ev):
-15.5435 -15.5435 -15.5430 -15.5430 -8.3551 -8.3551 -8.0814 -8.0814
-7.8167 -7.8167 -7.7547 -7.7547 -7.7130 -7.7130 -7.7028 -7.7028
-4.2956 -4.2956 -4.2904 -4.2904 -2.8604 -2.8604 -2.8501 -2.8501
-2.8439 -2.8439 -2.8368 -2.8368 -1.6124 -1.6124 -1.3160 -1.3160
-1.0946 -1.0946 -0.6534 -0.6534 -0.3914 -0.3914 -0.1184 -0.1184
0.1155 0.1155 0.3694 0.3694 0.4925 0.4925 0.9113 0.9113
1.1672 1.1672 1.2791 1.2791 1.3524 1.3524 1.8213 1.8213
1.9727 1.9727 2.1087 2.1087 2.3720 2.3720 2.5483 2.5483
2.6531 2.6531 2.6837 2.6837 2.8597 2.8597 2.9349 2.9349
3.0927 3.0927 3.1793 3.1793 3.6015 3.6015 3.6445 3.6445
3.7413 3.7413 5.0181 5.0181 7.6965 7.6965 7.9053 7.9053
8.9511 8.9511 9.0905 9.0905 9.5754 9.5754 9.7403 9.7403
9.7528 9.7528
k = 0.5000 0.4844 0.3305 ( 33812 PWs) bands (ev):
-15.5436 -15.5436 -15.5429 -15.5429 -8.3596 -8.3596 -8.0755 -8.0755
-7.8168 -7.8168 -7.7532 -7.7532 -7.7153 -7.7153 -7.7025 -7.7025
-4.2960 -4.2960 -4.2904 -4.2904 -2.8620 -2.8620 -2.8494 -2.8494
-2.8439 -2.8439 -2.8369 -2.8369 -1.6053 -1.6053 -1.3319 -1.3319
-1.0932 -1.0932 -0.6520 -0.6520 -0.3950 -0.3950 -0.1113 -0.1113
0.1150 0.1150 0.3771 0.3771 0.4891 0.4891 0.9012 0.9012
1.1698 1.1698 1.2833 1.2833 1.3510 1.3510 1.8173 1.8173
1.9682 1.9682 2.1162 2.1162 2.3668 2.3668 2.5519 2.5519
2.6504 2.6504 2.7038 2.7038 2.8554 2.8554 2.9324 2.9324
3.0966 3.0966 3.1721 3.1721 3.5966 3.5966 3.6600 3.6600
3.7439 3.7439 5.0204 5.0204 7.6710 7.6710 7.9328 7.9328
8.9321 8.9321 9.0964 9.0964 9.5447 9.5447 9.7337 9.7337
9.7818 9.7818
k = 0.5000 0.4844 0.3051 ( 33802 PWs) bands (ev):
-15.5437 -15.5437 -15.5429 -15.5429 -8.3645 -8.3645 -8.0683 -8.0683
-7.8170 -7.8170 -7.7535 -7.7535 -7.7165 -7.7165 -7.7023 -7.7023
-4.2964 -4.2964 -4.2904 -4.2904 -2.8637 -2.8637 -2.8488 -2.8488
-2.8438 -2.8438 -2.8370 -2.8370 -1.5990 -1.5990 -1.3501 -1.3501
-1.0916 -1.0916 -0.6517 -0.6517 -0.3994 -0.3994 -0.0979 -0.0979
0.1152 0.1152 0.3855 0.3855 0.4892 0.4892 0.8920 0.8920
1.1723 1.1723 1.2874 1.2874 1.3493 1.3493 1.8129 1.8129
1.9603 1.9603 2.1272 2.1272 2.3608 2.3608 2.5527 2.5527
2.6478 2.6478 2.7224 2.7224 2.8507 2.8507 2.9292 2.9292
3.0984 3.0984 3.1637 3.1637 3.5890 3.5890 3.6763 3.6763
3.7350 3.7350 5.0424 5.0424 7.6490 7.6490 7.9647 7.9647
8.9066 8.9066 9.0993 9.0993 9.5186 9.5186 9.7161 9.7161
9.7797 9.7797
k = 0.5000 0.4844 0.2796 ( 33810 PWs) bands (ev):
-15.5438 -15.5438 -15.5428 -15.5428 -8.3697 -8.3697 -8.0600 -8.0600
-7.8172 -7.8172 -7.7556 -7.7556 -7.7167 -7.7167 -7.7020 -7.7020
-4.2967 -4.2967 -4.2903 -4.2903 -2.8653 -2.8653 -2.8481 -2.8481
-2.8438 -2.8438 -2.8370 -2.8370 -1.5934 -1.5934 -1.3701 -1.3701
-1.0900 -1.0900 -0.6524 -0.6524 -0.4041 -0.4041 -0.0792 -0.0792
0.1159 0.1159 0.3936 0.3936 0.4936 0.4936 0.8839 0.8839
1.1745 1.1745 1.2911 1.2911 1.3474 1.3474 1.8079 1.8079
1.9500 1.9500 2.1405 2.1405 2.3538 2.3538 2.5506 2.5506
2.6456 2.6456 2.7395 2.7395 2.8455 2.8455 2.9253 2.9253
3.0975 3.0975 3.1547 3.1547 3.5801 3.5801 3.6840 3.6840
3.7253 3.7253 5.0813 5.0813 7.6303 7.6303 8.0013 8.0013
8.8758 8.8758 9.0992 9.0992 9.4966 9.4966 9.6949 9.6949
9.7358 9.7358
k = 0.5000 0.4844 0.2542 ( 33820 PWs) bands (ev):
-15.5439 -15.5439 -15.5427 -15.5427 -8.3751 -8.3751 -8.0508 -8.0508
-7.8176 -7.8176 -7.7593 -7.7593 -7.7159 -7.7159 -7.7017 -7.7017
-4.2971 -4.2971 -4.2903 -4.2903 -2.8669 -2.8669 -2.8474 -2.8474
-2.8437 -2.8437 -2.8370 -2.8370 -1.5886 -1.5886 -1.3912 -1.3912
-1.0885 -1.0885 -0.6540 -0.6540 -0.4087 -0.4087 -0.0566 -0.0566
0.1171 0.1171 0.4001 0.4001 0.5035 0.5035 0.8773 0.8773
1.1764 1.1764 1.2944 1.2944 1.3453 1.3453 1.8024 1.8024
1.9384 1.9384 2.1551 2.1551 2.3459 2.3459 2.5454 2.5454
2.6440 2.6440 2.7551 2.7551 2.8403 2.8403 2.9208 2.9208
3.0927 3.0927 3.1462 3.1462 3.5696 3.5696 3.6680 3.6680
3.7341 3.7341 5.1329 5.1329 7.6147 7.6147 8.0430 8.0430
8.8415 8.8415 9.0963 9.0963 9.4777 9.4777 9.6706 9.6706
9.6946 9.6946
k = 0.5000 0.4844 0.2288 ( 33802 PWs) bands (ev):
-15.5440 -15.5440 -15.5426 -15.5426 -8.3803 -8.3803 -8.0411 -8.0411
-7.8181 -7.8181 -7.7642 -7.7642 -7.7145 -7.7145 -7.7015 -7.7015
-4.2974 -4.2974 -4.2902 -4.2902 -2.8684 -2.8684 -2.8468 -2.8468
-2.8436 -2.8436 -2.8370 -2.8370 -1.5843 -1.5843 -1.4125 -1.4125
-1.0870 -1.0870 -0.6564 -0.6564 -0.4129 -0.4129 -0.0319 -0.0319
0.1187 0.1187 0.4045 0.4045 0.5191 0.5191 0.8725 0.8725
1.1781 1.1781 1.2971 1.2971 1.3430 1.3430 1.7963 1.7963
1.9260 1.9260 2.1703 2.1703 2.3369 2.3369 2.5372 2.5372
2.6430 2.6430 2.7693 2.7693 2.8350 2.8350 2.9157 2.9157
3.0830 3.0830 3.1395 3.1395 3.5556 3.5556 3.6437 3.6437
3.7520 3.7520 5.1925 5.1925 7.6018 7.6018 8.0902 8.0902
8.8054 8.8054 9.0909 9.0909 9.4609 9.4609 9.6408 9.6408
9.6611 9.6611
k = 0.5000 0.4844 0.2034 ( 33812 PWs) bands (ev):
-15.5440 -15.5440 -15.5425 -15.5425 -8.3854 -8.3854 -8.0309 -8.0309
-7.8188 -7.8188 -7.7698 -7.7698 -7.7129 -7.7129 -7.7012 -7.7012
-4.2977 -4.2977 -4.2902 -4.2902 -2.8697 -2.8697 -2.8464 -2.8464
-2.8433 -2.8433 -2.8370 -2.8370 -1.5808 -1.5808 -1.4335 -1.4335
-1.0858 -1.0858 -0.6592 -0.6592 -0.4166 -0.4166 -0.0066 -0.0066
0.1209 0.1209 0.4068 0.4068 0.5397 0.5397 0.8698 0.8698
1.1795 1.1795 1.2991 1.2991 1.3406 1.3406 1.7894 1.7894
1.9133 1.9133 2.1855 2.1855 2.3269 2.3269 2.5264 2.5264
2.6425 2.6425 2.7820 2.7820 2.8301 2.8301 2.9102 2.9102
3.0685 3.0685 3.1350 3.1350 3.5363 3.5363 3.6241 3.6241
3.7712 3.7712 5.2558 5.2558 7.5912 7.5912 8.1432 8.1432
8.7695 8.7695 9.0829 9.0829 9.4454 9.4454 9.6068 9.6068
9.6353 9.6353
k = 0.5000 0.4844 0.1779 ( 33836 PWs) bands (ev):
-15.5441 -15.5441 -15.5425 -15.5425 -8.3901 -8.3901 -8.0205 -8.0205
-7.8197 -7.8197 -7.7757 -7.7757 -7.7112 -7.7112 -7.7010 -7.7010
-4.2979 -4.2979 -4.2901 -4.2901 -2.8710 -2.8710 -2.8461 -2.8461
-2.8430 -2.8430 -2.8370 -2.8370 -1.5779 -1.5779 -1.4534 -1.4534
-1.0847 -1.0847 -0.6622 -0.6622 -0.4198 -0.4198 0.0174 0.0174
0.1236 0.1236 0.4076 0.4076 0.5639 0.5639 0.8699 0.8699
1.1804 1.1804 1.3003 1.3003 1.3382 1.3382 1.7818 1.7818
1.9007 1.9007 2.2004 2.2004 2.3158 2.3158 2.5136 2.5136
2.6423 2.6423 2.7928 2.7928 2.8261 2.8261 2.9046 2.9046
3.0504 3.0504 3.1322 3.1322 3.5130 3.5130 3.6118 3.6118
3.7898 3.7898 5.3190 5.3190 7.5827 7.5827 8.2023 8.2023
8.7349 8.7349 9.0722 9.0722 9.4307 9.4307 9.5741 9.5741
9.6123 9.6123
k = 0.5000 0.4844 0.1525 ( 33840 PWs) bands (ev):
-15.5441 -15.5441 -15.5424 -15.5424 -8.3945 -8.3945 -8.0103 -8.0103
-7.8209 -7.8209 -7.7815 -7.7815 -7.7095 -7.7095 -7.7009 -7.7009
-4.2982 -4.2982 -4.2901 -4.2901 -2.8720 -2.8720 -2.8459 -2.8459
-2.8426 -2.8426 -2.8370 -2.8370 -1.5756 -1.5756 -1.4717 -1.4717
-1.0837 -1.0837 -0.6652 -0.6652 -0.4225 -0.4225 0.0389 0.0389
0.1271 0.1271 0.4076 0.4076 0.5895 0.5895 0.8732 0.8732
1.1808 1.1808 1.3006 1.3006 1.3358 1.3358 1.7733 1.7733
1.8885 1.8885 2.2145 2.2145 2.3039 2.3039 2.4997 2.4997
2.6424 2.6424 2.8004 2.8004 2.8246 2.8246 2.8990 2.8990
3.0306 3.0306 3.1303 3.1303 3.4897 3.4897 3.6050 3.6050
3.8071 3.8071 5.3791 5.3791 7.5760 7.5760 8.2677 8.2677
8.7031 8.7031 9.0579 9.0579 9.4163 9.4163 9.5441 9.5441
9.5877 9.5877
k = 0.5000 0.4844 0.1271 ( 33866 PWs) bands (ev):
-15.5442 -15.5442 -15.5424 -15.5424 -8.3983 -8.3983 -8.0005 -8.0005
-7.8225 -7.8225 -7.7869 -7.7869 -7.7081 -7.7081 -7.7008 -7.7008
-4.2983 -4.2983 -4.2901 -4.2901 -2.8729 -2.8729 -2.8458 -2.8458
-2.8422 -2.8422 -2.8370 -2.8370 -1.5740 -1.5740 -1.4877 -1.4877
-1.0830 -1.0830 -0.6679 -0.6679 -0.4247 -0.4247 0.0565 0.0565
0.1317 0.1317 0.4072 0.4072 0.6144 0.6144 0.8805 0.8805
1.1806 1.1806 1.3001 1.3001 1.3335 1.3335 1.7641 1.7641
1.8772 1.8772 2.2276 2.2276 2.2916 2.2916 2.4857 2.4857
2.6426 2.6426 2.8029 2.8029 2.8276 2.8276 2.8937 2.8937
3.0107 3.0107 3.1291 3.1291 3.4691 3.4691 3.6014 3.6014
3.8224 3.8224 5.4335 5.4335 7.5708 7.5708 8.3390 8.3390
8.6750 8.6750 9.0387 9.0387 9.4010 9.4010 9.5149 9.5149
9.5446 9.5446
k = 0.5000 0.4844 0.1017 ( 33882 PWs) bands (ev):
-15.5442 -15.5442 -15.5423 -15.5423 -8.4015 -8.4015 -7.9916 -7.9916
-7.8245 -7.8245 -7.7915 -7.7915 -7.7068 -7.7068 -7.7007 -7.7007
-4.2985 -4.2985 -4.2900 -4.2900 -2.8737 -2.8737 -2.8457 -2.8457
-2.8418 -2.8418 -2.8371 -2.8371 -1.5729 -1.5729 -1.5012 -1.5012
-1.0823 -1.0823 -0.6704 -0.6704 -0.4264 -0.4264 0.0697 0.0697
0.1373 0.1373 0.4067 0.4067 0.6363 0.6363 0.8916 0.8916
1.1795 1.1795 1.2989 1.2989 1.3314 1.3314 1.7545 1.7545
1.8673 1.8673 2.2390 2.2390 2.2796 2.2796 2.4726 2.4726
2.6428 2.6428 2.8016 2.8016 2.8337 2.8337 2.8891 2.8891
2.9923 2.9923 3.1282 3.1282 3.4524 3.4524 3.5995 3.5995
3.8355 3.8355 5.4805 5.4805 7.5668 7.5668 8.4155 8.4155
8.6514 8.6514 9.0118 9.0118 9.3821 9.3821 9.4745 9.4745
9.5078 9.5078
k = 0.5000 0.4844 0.0763 ( 33872 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4041 -8.4041 -7.9838 -7.9838
-7.8268 -7.8268 -7.7951 -7.7951 -7.7058 -7.7058 -7.7007 -7.7007
-4.2986 -4.2986 -4.2900 -4.2900 -2.8743 -2.8743 -2.8457 -2.8457
-2.8414 -2.8414 -2.8372 -2.8372 -1.5724 -1.5724 -1.5117 -1.5117
-1.0819 -1.0819 -0.6724 -0.6724 -0.4277 -0.4277 0.0787 0.0787
0.1431 0.1431 0.4061 0.4061 0.6537 0.6537 0.9054 0.9054
1.1777 1.1777 1.2973 1.2973 1.3294 1.3294 1.7451 1.7451
1.8591 1.8591 2.2482 2.2482 2.2693 2.2693 2.4613 2.4613
2.6429 2.6429 2.7993 2.7993 2.8401 2.8401 2.8854 2.8854
2.9764 2.9764 3.1276 3.1276 3.4398 3.4398 3.5985 3.5985
3.8459 3.8459 5.5184 5.5184 7.5639 7.5639 8.4952 8.4952
8.6338 8.6338 8.9742 8.9742 9.3552 9.3552 9.4370 9.4370
9.4887 9.4887
k = 0.5000 0.4844 0.0508 ( 33880 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4060 -8.4060 -7.9778 -7.9778
-7.8289 -7.8289 -7.7975 -7.7975 -7.7050 -7.7050 -7.7007 -7.7007
-4.2987 -4.2987 -4.2900 -4.2900 -2.8747 -2.8747 -2.8457 -2.8457
-2.8410 -2.8410 -2.8373 -2.8373 -1.5723 -1.5723 -1.5191 -1.5191
-1.0816 -1.0816 -0.6738 -0.6738 -0.4287 -0.4287 0.0843 0.0843
0.1483 0.1483 0.4057 0.4057 0.6660 0.6660 0.9193 0.9193
1.1755 1.1755 1.2957 1.2957 1.3279 1.3279 1.7370 1.7370
1.8532 1.8532 2.2529 2.2529 2.2635 2.2635 2.4526 2.4526
2.6431 2.6431 2.7971 2.7971 2.8453 2.8453 2.8831 2.8831
2.9641 2.9641 3.1272 3.1272 3.4312 3.4312 3.5981 3.5981
3.8536 3.8536 5.5462 5.5462 7.5620 7.5620 8.5702 8.5702
8.6279 8.6279 8.9237 8.9237 9.3248 9.3248 9.4170 9.4170
9.4764 9.4765
k = 0.5000 0.4844 0.0254 ( 33880 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4071 -8.4071 -7.9740 -7.9740
-7.8305 -7.8305 -7.7989 -7.7989 -7.7045 -7.7045 -7.7007 -7.7007
-4.2988 -4.2988 -4.2900 -4.2900 -2.8749 -2.8749 -2.8457 -2.8457
-2.8408 -2.8408 -2.8374 -2.8374 -1.5725 -1.5725 -1.5235 -1.5235
-1.0814 -1.0814 -0.6747 -0.6747 -0.4292 -0.4292 0.0872 0.0872
0.1519 0.1519 0.4054 0.4054 0.6731 0.6731 0.9299 0.9299
1.1735 1.1735 1.2945 1.2945 1.3269 1.3269 1.7314 1.7314
1.8495 1.8495 2.2510 2.2510 2.2645 2.2645 2.4471 2.4471
2.6432 2.6432 2.7957 2.7957 2.8485 2.8485 2.8821 2.8821
2.9561 2.9561 3.1269 3.1269 3.4261 3.4261 3.5979 3.5979
3.8582 3.8582 5.5632 5.5632 7.5609 7.5609 8.5973 8.5973
8.6716 8.6716 8.8638 8.8638 9.3029 9.3029 9.4081 9.4081
9.4693 9.4693
k = 0.5000 0.4844-0.0000 ( 33868 PWs) bands (ev):
-15.5443 -15.5443 -15.5423 -15.5423 -8.4075 -8.4075 -7.9727 -7.9727
-7.8311 -7.8311 -7.7994 -7.7994 -7.7044 -7.7044 -7.7007 -7.7007
-4.2988 -4.2988 -4.2900 -4.2900 -2.8750 -2.8750 -2.8457 -2.8457
-2.8407 -2.8407 -2.8374 -2.8374 -1.5725 -1.5725 -1.5249 -1.5249
-1.0813 -1.0813 -0.6751 -0.6751 -0.4294 -0.4294 0.0882 0.0882
0.1531 0.1531 0.4053 0.4053 0.6754 0.6754 0.9339 0.9339
1.1727 1.1727 1.2940 1.2940 1.3265 1.3265 1.7295 1.7295
1.8483 1.8483 2.2495 2.2495 2.2656 2.2656 2.4452 2.4452
2.6432 2.6432 2.7952 2.7952 2.8496 2.8496 2.8819 2.8819
2.9533 2.9533 3.1268 3.1268 3.4245 3.4245 3.5979 3.5979
3.8598 3.8598 5.5689 5.5689 7.5605 7.5605 8.5977 8.5977
8.7146 8.7146 8.8238 8.8238 9.2952 9.2952 9.4055 9.4055
9.4669 9.4669
k = 0.0000 0.0000 0.7186 ( 33824 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3474 -8.3474 -8.0612 -8.0612
-7.8301 -7.8301 -7.8024 -7.8024 -7.7064 -7.7064 -7.6825 -7.6825
-4.2920 -4.2920 -4.2903 -4.2903 -2.8607 -2.8607 -2.8451 -2.8451
-2.8381 -2.8381 -2.8352 -2.8352 -1.7168 -1.7168 -1.2976 -1.2976
-1.0885 -1.0885 -0.6799 -0.6799 -0.3974 -0.3974 -0.0283 -0.0283
0.1914 0.1914 0.4236 0.4236 0.7814 0.7814 1.0668 1.0668
1.1632 1.1632 1.2046 1.2046 1.3259 1.3259 1.7962 1.7962
1.8676 1.8676 2.0893 2.0893 2.2392 2.2392 2.3677 2.3677
2.6017 2.6017 2.6324 2.6324 2.8417 2.8417 2.9472 2.9472
2.9634 2.9634 3.2199 3.2199 3.2631 3.2631 3.5097 3.5097
3.8081 3.8081 5.6280 5.6280 7.7303 7.7303 8.5278 8.5278
8.8198 8.8198 8.8557 8.8557 9.3860 9.3860 9.4751 9.4751
9.5363 9.5363
k = 0.0192 0.0186 0.7186 ( 33804 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3472 -8.3472 -8.0616 -8.0616
-7.8301 -7.8301 -7.8024 -7.8024 -7.7062 -7.7062 -7.6826 -7.6826
-4.2921 -4.2921 -4.2902 -4.2902 -2.8607 -2.8607 -2.8451 -2.8451
-2.8382 -2.8382 -2.8352 -2.8352 -1.7167 -1.7167 -1.2973 -1.2973
-1.0873 -1.0873 -0.6799 -0.6799 -0.3988 -0.3988 -0.0278 -0.0278
0.1914 0.1914 0.4234 0.4234 0.7801 0.7801 1.0644 1.0644
1.1431 1.1431 1.2068 1.2068 1.3461 1.3461 1.7968 1.7968
1.8684 1.8684 2.0902 2.0902 2.2381 2.2381 2.3690 2.3690
2.6014 2.6014 2.6329 2.6329 2.8410 2.8410 2.9487 2.9487
2.9637 2.9637 3.2193 3.2193 3.2649 3.2649 3.5096 3.5096
3.8064 3.8064 5.6254 5.6254 7.7266 7.7266 8.5027 8.5027
8.8477 8.8477 8.8615 8.8615 9.3886 9.3886 9.4771 9.4771
9.5374 9.5374
k = 0.0385 0.0373 0.7186 ( 33810 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3466 -8.3466 -8.0628 -8.0628
-7.8301 -7.8301 -7.8024 -7.8024 -7.7056 -7.7056 -7.6826 -7.6826
-4.2922 -4.2922 -4.2901 -4.2901 -2.8607 -2.8607 -2.8451 -2.8451
-2.8386 -2.8386 -2.8350 -2.8350 -1.7165 -1.7165 -1.2965 -1.2965
-1.0836 -1.0836 -0.6798 -0.6798 -0.4029 -0.4029 -0.0263 -0.0263
0.1914 0.1914 0.4227 0.4227 0.7757 0.7757 1.0533 1.0533
1.1087 1.1087 1.2083 1.2083 1.3900 1.3900 1.7987 1.7987
1.8707 1.8707 2.0925 2.0925 2.2353 2.2353 2.3727 2.3727
2.6003 2.6003 2.6343 2.6343 2.8386 2.8386 2.9531 2.9531
2.9646 2.9646 3.2176 3.2176 3.2700 3.2700 3.5094 3.5094
3.8012 3.8012 5.6179 5.6179 7.7156 7.7156 8.4483 8.4483
8.8675 8.8675 8.9220 8.9220 9.3961 9.3961 9.4833 9.4833
9.5405 9.5405
k = 0.0577 0.0559 0.7186 ( 33830 PWs) bands (ev):
-15.5438 -15.5438 -15.5427 -15.5427 -8.3456 -8.3456 -8.0648 -8.0648
-7.8300 -7.8300 -7.8024 -7.8024 -7.7045 -7.7045 -7.6827 -7.6827
-4.2924 -4.2924 -4.2899 -4.2899 -2.8607 -2.8607 -2.8451 -2.8451
-2.8390 -2.8390 -2.8347 -2.8347 -1.7162 -1.7162 -1.2952 -1.2952
-1.0776 -1.0776 -0.6798 -0.6798 -0.4096 -0.4096 -0.0237 -0.0237
0.1913 0.1913 0.4216 0.4216 0.7674 0.7674 1.0241 1.0241
1.0885 1.0885 1.2086 1.2086 1.4397 1.4397 1.8018 1.8018
1.8745 1.8745 2.0954 2.0954 2.2326 2.2326 2.3780 2.3780
2.5986 2.5986 2.6368 2.6368 2.8350 2.8350 2.9598 2.9598
2.9662 2.9662 3.2153 3.2153 3.2781 3.2781 3.5090 3.5090
3.7926 3.7926 5.6055 5.6055 7.6975 7.6975 8.3886 8.3886
8.8847 8.8847 9.0055 9.0055 9.4087 9.4087 9.4936 9.4936
9.5458 9.5458
k = 0.0769 0.0745 0.7186 ( 33842 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3443 -8.3443 -8.0674 -8.0674
-7.8300 -7.8300 -7.8024 -7.8024 -7.7031 -7.7031 -7.6828 -7.6828
-4.2927 -4.2927 -4.2897 -4.2897 -2.8606 -2.8606 -2.8451 -2.8451
-2.8395 -2.8395 -2.8344 -2.8344 -1.7159 -1.7159 -1.2936 -1.2936
-1.0693 -1.0693 -0.6797 -0.6797 -0.4188 -0.4188 -0.0200 -0.0200
0.1911 0.1911 0.4201 0.4201 0.7536 0.7536 0.9863 0.9863
1.0810 1.0810 1.2083 1.2083 1.4877 1.4877 1.8065 1.8065
1.8795 1.8795 2.0973 2.0973 2.2323 2.2323 2.3840 2.3840
2.5960 2.5960 2.6405 2.6405 2.8301 2.8301 2.9672 2.9672
2.9696 2.9696 3.2129 3.2129 3.2887 3.2887 3.5084 3.5084
3.7811 3.7811 5.5889 5.5889 7.6732 7.6732 8.3339 8.3339
8.9081 8.9081 9.0904 9.0904 9.4261 9.4261 9.5080 9.5080
9.5529 9.5529
k = 0.0962 0.0932 0.7186 ( 33844 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3427 -8.3427 -8.0704 -8.0704
-7.8300 -7.8300 -7.8025 -7.8025 -7.7015 -7.7015 -7.6830 -7.6830
-4.2929 -4.2929 -4.2895 -4.2895 -2.8605 -2.8605 -2.8451 -2.8451
-2.8400 -2.8400 -2.8342 -2.8342 -1.7155 -1.7155 -1.2918 -1.2918
-1.0589 -1.0589 -0.6797 -0.6797 -0.4303 -0.4303 -0.0154 -0.0154
0.1908 0.1908 0.4184 0.4184 0.7332 0.7332 0.9533 0.9533
1.0769 1.0769 1.2078 1.2078 1.5308 1.5308 1.8126 1.8126
1.8857 1.8857 2.0964 2.0964 2.2369 2.2369 2.3901 2.3901
2.5926 2.5926 2.6455 2.6455 2.8243 2.8243 2.9699 2.9699
2.9793 2.9793 3.2105 3.2105 3.3018 3.3018 3.5077 3.5077
3.7668 3.7668 5.5688 5.5688 7.6439 7.6439 8.2877 8.2877
8.9376 8.9376 9.1694 9.1694 9.4482 9.4482 9.5260 9.5260
9.5618 9.5618
k = 0.1154 0.1118 0.7186 ( 33852 PWs) bands (ev):
-15.5437 -15.5437 -15.5428 -15.5428 -8.3410 -8.3410 -8.0738 -8.0738
-7.8299 -7.8299 -7.8025 -7.8025 -7.6996 -7.6996 -7.6832 -7.6832
-4.2932 -4.2932 -4.2893 -4.2893 -2.8604 -2.8604 -2.8451 -2.8451
-2.8405 -2.8405 -2.8340 -2.8340 -1.7150 -1.7150 -1.2899 -1.2899
-1.0467 -1.0467 -0.6796 -0.6796 -0.4437 -0.4437 -0.0099 -0.0099
0.1903 0.1903 0.4166 0.4166 0.7063 0.7063 0.9291 0.9291
1.0738 1.0738 1.2072 1.2072 1.5672 1.5672 1.8203 1.8203
1.8930 1.8930 2.0913 2.0913 2.2479 2.2479 2.3958 2.3958
2.5882 2.5882 2.6519 2.6519 2.8175 2.8175 2.9723 2.9723
2.9903 2.9903 3.2083 3.2083 3.3172 3.3172 3.5066 3.5066
3.7502 3.7502 5.5461 5.5461 7.6116 7.6116 8.2507 8.2507
8.9731 8.9731 9.2385 9.2385 9.4745 9.4745 9.5463 9.5463
9.5720 9.5720
k = 0.1346 0.1304 0.7186 ( 33842 PWs) bands (ev):
-15.5436 -15.5436 -15.5429 -15.5429 -8.3392 -8.3392 -8.0772 -8.0772
-7.8299 -7.8299 -7.8025 -7.8025 -7.6977 -7.6977 -7.6835 -7.6835
-4.2934 -4.2934 -4.2892 -4.2892 -2.8604 -2.8604 -2.8452 -2.8452
-2.8410 -2.8410 -2.8338 -2.8338 -1.7145 -1.7145 -1.2881 -1.2881
-1.0332 -1.0332 -0.6794 -0.6794 -0.4585 -0.4585 -0.0036 -0.0036
0.1894 0.1894 0.4147 0.4147 0.6753 0.6753 0.9132 0.9132
1.0711 1.0711 1.2065 1.2065 1.5965 1.5965 1.8290 1.8290
1.9015 1.9015 2.0819 2.0819 2.2645 2.2645 2.4011 2.4011
2.5828 2.5828 2.6597 2.6597 2.8099 2.8099 2.9747 2.9747
3.0016 3.0016 3.2064 3.2064 3.3347 3.3347 3.5052 3.5052
3.7321 3.7321 5.5219 5.5219 7.5785 7.5785 8.2220 8.2220
9.0140 9.0140 9.2960 9.2960 9.5045 9.5045 9.5676 9.5676
9.5831 9.5831
k = 0.1538 0.1491 0.7186 ( 33868 PWs) bands (ev):
-15.5436 -15.5436 -15.5429 -15.5429 -8.3374 -8.3374 -8.0806 -8.0806
-7.8299 -7.8299 -7.8025 -7.8025 -7.6958 -7.6958 -7.6838 -7.6838
-4.2936 -4.2936 -4.2890 -4.2890 -2.8603 -2.8603 -2.8453 -2.8453
-2.8414 -2.8414 -2.8337 -2.8337 -1.7141 -1.7141 -1.2865 -1.2865
-1.0190 -1.0190 -0.6793 -0.6793 -0.4740 -0.4740 0.0031 0.0031
0.1882 0.1882 0.4131 0.4131 0.6436 0.6436 0.9035 0.9035
1.0687 1.0687 1.2058 1.2058 1.6190 1.6190 1.8379 1.8379
1.9113 1.9113 2.0691 2.0691 2.2849 2.2849 2.4058 2.4058
2.5765 2.5765 2.6686 2.6686 2.8015 2.8015 2.9769 2.9769
3.0125 3.0125 3.2049 3.2049 3.3541 3.3541 3.5029 3.5029
3.7132 3.7132 5.4977 5.4977 7.5470 7.5470 8.2005 8.2005
9.0596 9.0596 9.3426 9.3426 9.5370 9.5370 9.5881 9.5881
9.5954 9.5954
k = 0.1731 0.1677 0.7186 ( 33864 PWs) bands (ev):
-15.5435 -15.5435 -15.5430 -15.5430 -8.3357 -8.3357 -8.0837 -8.0837
-7.8298 -7.8298 -7.8025 -7.8025 -7.6939 -7.6939 -7.6843 -7.6843
-4.2937 -4.2937 -4.2889 -4.2889 -2.8602 -2.8602 -2.8454 -2.8454
-2.8416 -2.8416 -2.8336 -2.8336 -1.7137 -1.7137 -1.2851 -1.2851
-1.0050 -1.0050 -0.6791 -0.6791 -0.4893 -0.4893 0.0098 0.0098
0.1868 0.1868 0.4116 0.4116 0.6141 0.6141 0.8979 0.8979
1.0665 1.0665 1.2052 1.2052 1.6354 1.6354 1.8462 1.8462
1.9229 1.9229 2.0541 2.0541 2.3062 2.3062 2.4101 2.4101
2.5694 2.5694 2.6784 2.6784 2.7926 2.7926 2.9788 2.9788
3.0223 3.0223 3.2038 3.2038 3.3748 3.3748 3.4994 3.4994
3.6946 3.6946 5.4749 5.4749 7.5189 7.5189 8.1849 8.1849
9.1089 9.1089 9.3792 9.3792 9.5689 9.5689 9.6043 9.6043
9.6121 9.6121
k = 0.1923 0.1863 0.7186 ( 33872 PWs) bands (ev):
-15.5435 -15.5435 -15.5431 -15.5431 -8.3343 -8.3343 -8.0864 -8.0864
-7.8298 -7.8298 -7.8025 -7.8025 -7.6922 -7.6922 -7.6848 -7.6848
-4.2939 -4.2939 -4.2888 -4.2888 -2.8601 -2.8601 -2.8455 -2.8455
-2.8419 -2.8419 -2.8335 -2.8335 -1.7134 -1.7134 -1.2839 -1.2839
-0.9923 -0.9923 -0.6790 -0.6790 -0.5032 -0.5032 0.0161 0.0161
0.1851 0.1851 0.4105 0.4105 0.5891 0.5891 0.8947 0.8947
1.0648 1.0648 1.2047 1.2047 1.6469 1.6469 1.8531 1.8531
1.9362 1.9362 2.0375 2.0375 2.3259 2.3259 2.4143 2.4143
2.5622 2.5622 2.6885 2.6885 2.7834 2.7834 2.9805 2.9805
3.0305 3.0305 3.2032 3.2032 3.3965 3.3965 3.4939 3.4939
3.6776 3.6776 5.4552 5.4552 7.4957 7.4957 8.1739 8.1739
9.1603 9.1603 9.4050 9.4050 9.5904 9.5904 9.6222 9.6222
9.6311 9.6311
k = 0.2115 0.2049 0.7186 ( 33888 PWs) bands (ev):
-15.5434 -15.5434 -15.5431 -15.5431 -8.3332 -8.3332 -8.0884 -8.0884
-7.8298 -7.8298 -7.8026 -7.8026 -7.6907 -7.6907 -7.6854 -7.6854
-4.2940 -4.2940 -4.2887 -4.2887 -2.8600 -2.8600 -2.8457 -2.8457
-2.8420 -2.8420 -2.8335 -2.8335 -1.7131 -1.7131 -1.2831 -1.2831
-0.9820 -0.9820 -0.6788 -0.6788 -0.5144 -0.5144 0.0213 0.0213
0.1836 0.1836 0.4098 0.4098 0.5701 0.5701 0.8930 0.8930
1.0634 1.0634 1.2043 1.2043 1.6544 1.6544 1.8581 1.8581
1.9511 1.9511 2.0202 2.0202 2.3414 2.3414 2.4183 2.4183
2.5555 2.5555 2.6981 2.6981 2.7747 2.7747 2.9817 2.9817
3.0367 3.0367 3.2028 3.2028 3.4181 3.4181 3.4854 3.4854
3.6638 3.6638 5.4399 5.4399 7.4784 7.4784 8.1666 8.1666
9.2107 9.2107 9.4174 9.4174 9.5968 9.5968 9.6295 9.6295
9.6476 9.6476
k = 0.2308 0.2236 0.7186 ( 33876 PWs) bands (ev):
-15.5433 -15.5433 -15.5432 -15.5432 -8.3325 -8.3325 -8.0896 -8.0896
-7.8298 -7.8298 -7.8026 -7.8026 -7.6895 -7.6895 -7.6861 -7.6861
-4.2940 -4.2940 -4.2887 -4.2887 -2.8600 -2.8600 -2.8458 -2.8458
-2.8421 -2.8421 -2.8335 -2.8335 -1.7130 -1.7130 -1.2826 -1.2826
-0.9753 -0.9753 -0.6787 -0.6787 -0.5218 -0.5218 0.0247 0.0247
0.1824 0.1824 0.4095 0.4095 0.5583 0.5583 0.8922 0.8922
1.0626 1.0626 1.2040 1.2040 1.6586 1.6586 1.8610 1.8610
1.9673 1.9673 2.0026 2.0026 2.3512 2.3512 2.4216 2.4216
2.5505 2.5505 2.7055 2.7055 2.7678 2.7678 2.9824 2.9824
3.0405 3.0405 3.2027 3.2027 3.4388 3.4388 3.4735 3.4735
3.6548 3.6548 5.4301 5.4301 7.4679 7.4679 8.1625 8.1625
9.2531 9.2531 9.4149 9.4149 9.5976 9.5976 9.6179 9.6179
9.6574 9.6574
k = 0.2500 0.2422 0.7186 ( 33880 PWs) bands (ev):
-15.5433 -15.5433 -15.5433 -15.5433 -8.3322 -8.3322 -8.0900 -8.0900
-7.8298 -7.8298 -7.8025 -7.8025 -7.6888 -7.6888 -7.6866 -7.6866
-4.2941 -4.2941 -4.2887 -4.2887 -2.8599 -2.8599 -2.8458 -2.8458
-2.8421 -2.8421 -2.8334 -2.8334 -1.7129 -1.7129 -1.2824 -1.2824
-0.9729 -0.9729 -0.6786 -0.6786 -0.5243 -0.5243 0.0259 0.0259
0.1820 0.1820 0.4093 0.4093 0.5543 0.5543 0.8920 0.8920
1.0623 1.0623 1.2040 1.2040 1.6599 1.6599 1.8621 1.8621
1.9816 1.9816 1.9878 1.9878 2.3545 2.3545 2.4230 2.4230
2.5487 2.5487 2.7085 2.7085 2.7650 2.7650 2.9827 2.9827
3.0418 3.0418 3.2026 3.2026 3.4551 3.4551 3.4604 3.4604
3.6516 3.6516 5.4268 5.4268 7.4643 7.4643 8.1611 8.1611
9.2718 9.2718 9.4094 9.4094 9.5985 9.5985 9.6121 9.6121
9.6611 9.6611
Writing output data file CsAuI3.save
init_run : 1.08s CPU 1.36s WALL ( 1 calls)
electrons : 2163.83s CPU 2185.15s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.10s CPU 0.14s WALL ( 1 calls)
Called by electrons:
c_bands : 2163.82s CPU 2185.13s WALL ( 1 calls)
v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.02s CPU 0.02s WALL ( 1 calls)
newd : 0.34s CPU 0.46s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.24s CPU 0.45s WALL ( 209 calls)
cegterg : 2066.65s CPU 2086.47s WALL ( 781 calls)
Called by sum_band:
Called by *egterg:
h_psi : 1414.65s CPU 1423.29s WALL ( 14709 calls)
s_psi : 62.94s CPU 62.53s WALL ( 14709 calls)
g_psi : 1.94s CPU 1.96s WALL ( 13719 calls)
cdiaghg : 417.03s CPU 417.75s WALL ( 13928 calls)
cegterg:over : 97.55s CPU 97.68s WALL ( 13719 calls)
cegterg:upda : 87.95s CPU 88.75s WALL ( 13719 calls)
cegterg:last : 35.65s CPU 35.59s WALL ( 1408 calls)
cdiaghg:chol : 17.07s CPU 17.50s WALL ( 13928 calls)
cdiaghg:inve : 13.32s CPU 13.24s WALL ( 13928 calls)
cdiaghg:para : 27.56s CPU 27.56s WALL ( 27856 calls)
Called by h_psi:
h_psi:vloc : 1245.86s CPU 1254.26s WALL ( 14709 calls)
h_psi:vnl : 165.82s CPU 166.01s WALL ( 14709 calls)
add_vuspsi : 85.56s CPU 85.77s WALL ( 14709 calls)
General routines
calbec : 80.13s CPU 80.18s WALL ( 14709 calls)
fft : 0.03s CPU 0.04s WALL ( 19 calls)
ffts : 0.00s CPU 0.01s WALL ( 4 calls)
fftw : 1200.26s CPU 1208.13s WALL ( 1662352 calls)
interpolate : 0.01s CPU 0.01s WALL ( 4 calls)
davcio : 0.17s CPU 0.66s WALL ( 418 calls)
Parallel routines
fft_scatter : 658.90s CPU 665.08s WALL ( 1662375 calls)
PWSCF : 38m14.42s CPU 39m 7.30s WALL
This run was terminated on: 20:55:44 30Jan2017
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JOB DONE.
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