Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:59:35
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./KHF2.save/
file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized
file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 68 43 12 1954 971 148
Max 69 44 13 1957 993 151
Sum 2459 1559 437 70397 35273 5379
bravais-lattice index = 14
lattice parameter (alat) = 9.9401 a.u.
unit-cell volume = 738.7198 (a.u.)^3
number of atoms/cell = 8
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 50.0000 Ry
charge density cutoff = 317.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.940116 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= -0.419034 celldm(5)= -0.419034 celldm(6)= -0.161932
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.161932 0.986802 0.000000 )
a(3) = ( -0.419034 -0.493401 0.762211 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.164098 0.655986 )
b(2) = ( 0.000000 1.013375 0.655986 )
b(3) = ( 0.000000 0.000000 1.311972 )
PseudoPot. # 1 for H read from file:
/users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF
MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d
Pseudo is Ultrasoft, Zval = 1.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 929 points, 2 beta functions with:
l(1) = 0
l(2) = 0
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for K read from file:
/users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1165 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 F read from file:
/users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44
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 1105 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
H 1.00 1.00790 H( 1.00)
K 9.00 39.09830 K( 1.00)
F 7.00 18.99840 F( 1.00)
4 Sym. Ops., with inversion, found ( 2 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 )
( 0 -1 0 ) ( 0.5000000 )
( 1 1 1 ) ( 0.0000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5809662 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.4934009 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
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 ) f =( -0.5000000 )
( 0 1 0 ) ( 0.5000000 )
( -1 -1 -1 ) ( 0.0000000 )
cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5809662 )
( 0.0000000 1.0000000 -0.0000000 ) ( 0.4934009 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
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= 323 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 2) = ( 0.0000000 0.0000000 0.0163996), wk = 0.0030960
k( 3) = ( 0.0000000 0.0000000 0.0327993), wk = 0.0030960
k( 4) = ( 0.0000000 0.0000000 0.0491989), wk = 0.0030960
k( 5) = ( 0.0000000 0.0000000 0.0655986), wk = 0.0030960
k( 6) = ( 0.0000000 0.0000000 0.0819982), wk = 0.0030960
k( 7) = ( 0.0000000 0.0000000 0.0983979), wk = 0.0030960
k( 8) = ( 0.0000000 0.0000000 0.1147975), wk = 0.0030960
k( 9) = ( 0.0000000 0.0000000 0.1311972), wk = 0.0030960
k( 10) = ( 0.0000000 0.0000000 0.1475968), wk = 0.0030960
k( 11) = ( 0.0000000 0.0000000 0.1639965), wk = 0.0030960
k( 12) = ( 0.0000000 0.0000000 0.1803961), wk = 0.0030960
k( 13) = ( 0.0000000 0.0000000 0.1967958), wk = 0.0030960
k( 14) = ( 0.0000000 0.0000000 0.2131954), wk = 0.0030960
k( 15) = ( 0.0000000 0.0000000 0.2295951), wk = 0.0030960
k( 16) = ( 0.0000000 0.0000000 0.2459947), wk = 0.0030960
k( 17) = ( 0.0000000 0.0000000 0.2623944), wk = 0.0030960
k( 18) = ( 0.0000000 0.0000000 0.2787940), wk = 0.0030960
k( 19) = ( 0.0000000 0.0000000 0.2951937), wk = 0.0030960
k( 20) = ( 0.0000000 0.0000000 0.3115933), wk = 0.0030960
k( 21) = ( 0.0000000 0.0000000 0.3279930), wk = 0.0030960
k( 22) = ( 0.0000000 0.0000000 0.3443926), wk = 0.0030960
k( 23) = ( 0.0000000 0.0000000 0.3607923), wk = 0.0030960
k( 24) = ( 0.0000000 0.0000000 0.3771919), wk = 0.0030960
k( 25) = ( 0.0000000 0.0000000 0.3935916), wk = 0.0030960
k( 26) = ( 0.0000000 0.0000000 0.4099912), wk = 0.0030960
k( 27) = ( 0.0000000 0.0000000 0.4263909), wk = 0.0030960
k( 28) = ( 0.0000000 0.0000000 0.4427905), wk = 0.0030960
k( 29) = ( 0.0000000 0.0000000 0.4591902), wk = 0.0030960
k( 30) = ( 0.0000000 0.0000000 0.4755898), wk = 0.0030960
k( 31) = ( 0.0000000 0.0000000 0.4919895), wk = 0.0030960
k( 32) = ( 0.0000000 0.0000000 0.5083891), wk = 0.0030960
k( 33) = ( 0.0000000 0.0000000 0.5247888), wk = 0.0030960
k( 34) = ( 0.0000000 0.0000000 0.5411884), wk = 0.0030960
k( 35) = ( 0.0000000 0.0000000 0.5575881), wk = 0.0030960
k( 36) = ( 0.0000000 0.0000000 0.5739877), wk = 0.0030960
k( 37) = ( 0.0000000 0.0000000 0.5903874), wk = 0.0030960
k( 38) = ( 0.0000000 0.0000000 0.6067870), wk = 0.0030960
k( 39) = ( 0.0000000 0.0000000 0.6231867), wk = 0.0030960
k( 40) = ( 0.0000000 0.0000000 0.6395863), wk = 0.0030960
k( 41) = ( 0.0000000 0.0000000 0.6559860), wk = 0.0030960
k( 42) = ( 0.0000000 0.0000000 0.6559860), wk = 0.0030960
k( 43) = ( -0.0123789 0.0105132 0.6559860), wk = 0.0030960
k( 44) = ( -0.0247579 0.0210263 0.6559860), wk = 0.0030960
k( 45) = ( -0.0371368 0.0315395 0.6559860), wk = 0.0030960
k( 46) = ( -0.0495158 0.0420526 0.6559860), wk = 0.0030960
k( 47) = ( -0.0618948 0.0525658 0.6559860), wk = 0.0030960
k( 48) = ( -0.0742737 0.0630789 0.6559860), wk = 0.0030960
k( 49) = ( -0.0866527 0.0735921 0.6559860), wk = 0.0030960
k( 50) = ( -0.0990316 0.0841052 0.6559860), wk = 0.0030960
k( 51) = ( -0.1114106 0.0946184 0.6559860), wk = 0.0030960
k( 52) = ( -0.1237895 0.1051315 0.6559860), wk = 0.0030960
k( 53) = ( -0.1361685 0.1156447 0.6559860), wk = 0.0030960
k( 54) = ( -0.1485474 0.1261578 0.6559860), wk = 0.0030960
k( 55) = ( -0.1609264 0.1366710 0.6559860), wk = 0.0030960
k( 56) = ( -0.1733053 0.1471841 0.6559860), wk = 0.0030960
k( 57) = ( -0.1856843 0.1576973 0.6559860), wk = 0.0030960
k( 58) = ( -0.1980632 0.1682104 0.6559860), wk = 0.0030960
k( 59) = ( -0.2104422 0.1787236 0.6559860), wk = 0.0030960
k( 60) = ( -0.2228211 0.1892367 0.6559860), wk = 0.0030960
k( 61) = ( -0.2352001 0.1997499 0.6559860), wk = 0.0030960
k( 62) = ( -0.2475790 0.2102630 0.6559860), wk = 0.0030960
k( 63) = ( -0.2599580 0.2207762 0.6559860), wk = 0.0030960
k( 64) = ( -0.2723369 0.2312893 0.6559860), wk = 0.0030960
k( 65) = ( -0.2847159 0.2418025 0.6559860), wk = 0.0030960
k( 66) = ( -0.2970948 0.2523156 0.6559860), wk = 0.0030960
k( 67) = ( -0.3094738 0.2628288 0.6559860), wk = 0.0030960
k( 68) = ( -0.3218527 0.2733419 0.6559860), wk = 0.0030960
k( 69) = ( -0.3342317 0.2838551 0.6559860), wk = 0.0030960
k( 70) = ( -0.3466107 0.2943682 0.6559860), wk = 0.0030960
k( 71) = ( -0.3466107 0.2943682 0.6559860), wk = 0.0030960
k( 72) = ( -0.3551323 0.3016055 0.6448058), wk = 0.0030960
k( 73) = ( -0.3636539 0.3088427 0.6336257), wk = 0.0030960
k( 74) = ( -0.3721755 0.3160799 0.6224456), wk = 0.0030960
k( 75) = ( -0.3806972 0.3233171 0.6112654), wk = 0.0030960
k( 76) = ( -0.3892188 0.3305543 0.6000853), wk = 0.0030960
k( 77) = ( -0.3977404 0.3377916 0.5889051), wk = 0.0030960
k( 78) = ( -0.4062621 0.3450288 0.5777250), wk = 0.0030960
k( 79) = ( -0.4147837 0.3522660 0.5665448), wk = 0.0030960
k( 80) = ( -0.4233053 0.3595032 0.5553647), wk = 0.0030960
k( 81) = ( -0.4233053 0.3595032 0.5553647), wk = 0.0030960
k( 82) = ( -0.4142988 0.3518542 0.5435484), wk = 0.0030960
k( 83) = ( -0.4052923 0.3442052 0.5317322), wk = 0.0030960
k( 84) = ( -0.3962858 0.3365562 0.5199159), wk = 0.0030960
k( 85) = ( -0.3872793 0.3289072 0.5080996), wk = 0.0030960
k( 86) = ( -0.3782728 0.3212582 0.4962834), wk = 0.0030960
k( 87) = ( -0.3692664 0.3136092 0.4844671), wk = 0.0030960
k( 88) = ( -0.3602598 0.3059602 0.4726508), wk = 0.0030960
k( 89) = ( -0.3512534 0.2983112 0.4608345), wk = 0.0030960
k( 90) = ( -0.3422469 0.2906622 0.4490183), wk = 0.0030960
k( 91) = ( -0.3332404 0.2830132 0.4372020), wk = 0.0030960
k( 92) = ( -0.3242339 0.2753642 0.4253857), wk = 0.0030960
k( 93) = ( -0.3152274 0.2677152 0.4135695), wk = 0.0030960
k( 94) = ( -0.3062209 0.2600662 0.4017532), wk = 0.0030960
k( 95) = ( -0.2972144 0.2524172 0.3899369), wk = 0.0030960
k( 96) = ( -0.2882079 0.2447682 0.3781207), wk = 0.0030960
k( 97) = ( -0.2792014 0.2371191 0.3663044), wk = 0.0030960
k( 98) = ( -0.2701949 0.2294701 0.3544881), wk = 0.0030960
k( 99) = ( -0.2611884 0.2218211 0.3426718), wk = 0.0030960
k( 100) = ( -0.2521819 0.2141721 0.3308556), wk = 0.0030960
k( 101) = ( -0.2431754 0.2065231 0.3190393), wk = 0.0030960
k( 102) = ( -0.2341689 0.1988741 0.3072230), wk = 0.0030960
k( 103) = ( -0.2251624 0.1912251 0.2954068), wk = 0.0030960
k( 104) = ( -0.2161559 0.1835761 0.2835905), wk = 0.0030960
k( 105) = ( -0.2071494 0.1759271 0.2717742), wk = 0.0030960
k( 106) = ( -0.1981429 0.1682781 0.2599580), wk = 0.0030960
k( 107) = ( -0.1891364 0.1606291 0.2481417), wk = 0.0030960
k( 108) = ( -0.1801299 0.1529801 0.2363254), wk = 0.0030960
k( 109) = ( -0.1711234 0.1453311 0.2245091), wk = 0.0030960
k( 110) = ( -0.1621169 0.1376821 0.2126929), wk = 0.0030960
k( 111) = ( -0.1531104 0.1300331 0.2008766), wk = 0.0030960
k( 112) = ( -0.1441039 0.1223841 0.1890603), wk = 0.0030960
k( 113) = ( -0.1350974 0.1147351 0.1772441), wk = 0.0030960
k( 114) = ( -0.1260910 0.1070861 0.1654278), wk = 0.0030960
k( 115) = ( -0.1170845 0.0994371 0.1536115), wk = 0.0030960
k( 116) = ( -0.1080780 0.0917881 0.1417952), wk = 0.0030960
k( 117) = ( -0.0990715 0.0841391 0.1299790), wk = 0.0030960
k( 118) = ( -0.0900650 0.0764900 0.1181627), wk = 0.0030960
k( 119) = ( -0.0810585 0.0688410 0.1063464), wk = 0.0030960
k( 120) = ( -0.0720520 0.0611920 0.0945302), wk = 0.0030960
k( 121) = ( -0.0630455 0.0535430 0.0827139), wk = 0.0030960
k( 122) = ( -0.0540390 0.0458940 0.0708976), wk = 0.0030960
k( 123) = ( -0.0450325 0.0382450 0.0590814), wk = 0.0030960
k( 124) = ( -0.0360260 0.0305960 0.0472651), wk = 0.0030960
k( 125) = ( -0.0270195 0.0229470 0.0354488), wk = 0.0030960
k( 126) = ( -0.0180130 0.0152980 0.0236325), wk = 0.0030960
k( 127) = ( -0.0090065 0.0076490 0.0118163), wk = 0.0030960
k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 130) = ( 0.0106383 0.0125263 -0.0000000), wk = 0.0030960
k( 131) = ( 0.0212766 0.0250526 -0.0000000), wk = 0.0030960
k( 132) = ( 0.0319149 0.0375789 -0.0000000), wk = 0.0030960
k( 133) = ( 0.0425532 0.0501052 -0.0000000), wk = 0.0030960
k( 134) = ( 0.0531915 0.0626315 -0.0000000), wk = 0.0030960
k( 135) = ( 0.0638298 0.0751579 -0.0000000), wk = 0.0030960
k( 136) = ( 0.0744681 0.0876842 -0.0000000), wk = 0.0030960
k( 137) = ( 0.0851064 0.1002105 -0.0000000), wk = 0.0030960
k( 138) = ( 0.0957447 0.1127368 -0.0000000), wk = 0.0030960
k( 139) = ( 0.1063830 0.1252631 -0.0000000), wk = 0.0030960
k( 140) = ( 0.1170213 0.1377894 -0.0000000), wk = 0.0030960
k( 141) = ( 0.1276596 0.1503157 -0.0000000), wk = 0.0030960
k( 142) = ( 0.1382979 0.1628420 -0.0000000), wk = 0.0030960
k( 143) = ( 0.1489362 0.1753683 -0.0000000), wk = 0.0030960
k( 144) = ( 0.1595745 0.1878946 -0.0000000), wk = 0.0030960
k( 145) = ( 0.1702128 0.2004209 -0.0000000), wk = 0.0030960
k( 146) = ( 0.1808511 0.2129472 -0.0000000), wk = 0.0030960
k( 147) = ( 0.1914894 0.2254735 -0.0000000), wk = 0.0030960
k( 148) = ( 0.2021277 0.2379999 -0.0000000), wk = 0.0030960
k( 149) = ( 0.2127660 0.2505262 -0.0000000), wk = 0.0030960
k( 150) = ( 0.2234043 0.2630525 -0.0000000), wk = 0.0030960
k( 151) = ( 0.2340425 0.2755788 -0.0000000), wk = 0.0030960
k( 152) = ( 0.2446809 0.2881051 -0.0000000), wk = 0.0030960
k( 153) = ( 0.2553191 0.3006314 -0.0000000), wk = 0.0030960
k( 154) = ( 0.2659574 0.3131577 -0.0000000), wk = 0.0030960
k( 155) = ( 0.2765957 0.3256840 -0.0000000), wk = 0.0030960
k( 156) = ( 0.2872340 0.3382103 -0.0000000), wk = 0.0030960
k( 157) = ( 0.2978723 0.3507366 -0.0000000), wk = 0.0030960
k( 158) = ( 0.3085106 0.3632629 -0.0000000), wk = 0.0030960
k( 159) = ( 0.3191489 0.3757892 -0.0000000), wk = 0.0030960
k( 160) = ( 0.3297872 0.3883155 -0.0000000), wk = 0.0030960
k( 161) = ( 0.3404255 0.4008419 -0.0000000), wk = 0.0030960
k( 162) = ( 0.3510638 0.4133682 -0.0000000), wk = 0.0030960
k( 163) = ( 0.3617021 0.4258945 -0.0000000), wk = 0.0030960
k( 164) = ( 0.3723404 0.4384208 -0.0000000), wk = 0.0030960
k( 165) = ( 0.3829787 0.4509471 -0.0000000), wk = 0.0030960
k( 166) = ( 0.3936170 0.4634734 -0.0000000), wk = 0.0030960
k( 167) = ( 0.4042553 0.4759997 -0.0000000), wk = 0.0030960
k( 168) = ( 0.4148936 0.4885260 -0.0000000), wk = 0.0030960
k( 169) = ( 0.4255319 0.5010523 -0.0000000), wk = 0.0030960
k( 170) = ( 0.4361702 0.5135786 -0.0000000), wk = 0.0030960
k( 171) = ( 0.4468085 0.5261049 -0.0000000), wk = 0.0030960
k( 172) = ( 0.4574468 0.5386313 -0.0000000), wk = 0.0030960
k( 173) = ( 0.4680851 0.5511576 -0.0000000), wk = 0.0030960
k( 174) = ( 0.4787234 0.5636839 -0.0000000), wk = 0.0030960
k( 175) = ( 0.4893617 0.5762102 -0.0000000), wk = 0.0030960
k( 176) = ( 0.5000000 0.5887365 -0.0000000), wk = 0.0030960
k( 177) = ( 0.5000000 0.5887365 -0.0000000), wk = 0.0030960
k( 178) = ( 0.4914784 0.5959737 0.0111801), wk = 0.0030960
k( 179) = ( 0.4829567 0.6032109 0.0223603), wk = 0.0030960
k( 180) = ( 0.4744351 0.6104481 0.0335404), wk = 0.0030960
k( 181) = ( 0.4659135 0.6176854 0.0447206), wk = 0.0030960
k( 182) = ( 0.4573918 0.6249226 0.0559007), wk = 0.0030960
k( 183) = ( 0.4488702 0.6321598 0.0670808), wk = 0.0030960
k( 184) = ( 0.4403486 0.6393970 0.0782610), wk = 0.0030960
k( 185) = ( 0.4318269 0.6466342 0.0894411), wk = 0.0030960
k( 186) = ( 0.4233053 0.6538715 0.1006213), wk = 0.0030960
k( 187) = ( 0.4233053 0.6538715 0.1006213), wk = 0.0030960
k( 188) = ( 0.4096503 0.6491236 0.1079558), wk = 0.0030960
k( 189) = ( 0.3959953 0.6443757 0.1152904), wk = 0.0030960
k( 190) = ( 0.3823403 0.6396278 0.1226250), wk = 0.0030960
k( 191) = ( 0.3686853 0.6348800 0.1299596), wk = 0.0030960
k( 192) = ( 0.3550303 0.6301321 0.1372941), wk = 0.0030960
k( 193) = ( 0.3413753 0.6253842 0.1446287), wk = 0.0030960
k( 194) = ( 0.3277202 0.6206363 0.1519633), wk = 0.0030960
k( 195) = ( 0.3140652 0.6158885 0.1592978), wk = 0.0030960
k( 196) = ( 0.3004102 0.6111406 0.1666324), wk = 0.0030960
k( 197) = ( 0.2867552 0.6063927 0.1739670), wk = 0.0030960
k( 198) = ( 0.2731002 0.6016448 0.1813016), wk = 0.0030960
k( 199) = ( 0.2594452 0.5968970 0.1886361), wk = 0.0030960
k( 200) = ( 0.2457902 0.5921491 0.1959707), wk = 0.0030960
k( 201) = ( 0.2321352 0.5874012 0.2033053), wk = 0.0030960
k( 202) = ( 0.2184802 0.5826533 0.2106398), wk = 0.0030960
k( 203) = ( 0.2048252 0.5779055 0.2179744), wk = 0.0030960
k( 204) = ( 0.1911702 0.5731576 0.2253090), wk = 0.0030960
k( 205) = ( 0.1775151 0.5684097 0.2326436), wk = 0.0030960
k( 206) = ( 0.1638601 0.5636618 0.2399781), wk = 0.0030960
k( 207) = ( 0.1502051 0.5589140 0.2473127), wk = 0.0030960
k( 208) = ( 0.1365501 0.5541661 0.2546473), wk = 0.0030960
k( 209) = ( 0.1228951 0.5494182 0.2619818), wk = 0.0030960
k( 210) = ( 0.1092401 0.5446703 0.2693164), wk = 0.0030960
k( 211) = ( 0.0955851 0.5399225 0.2766510), wk = 0.0030960
k( 212) = ( 0.0819301 0.5351746 0.2839856), wk = 0.0030960
k( 213) = ( 0.0682751 0.5304267 0.2913201), wk = 0.0030960
k( 214) = ( 0.0546200 0.5256788 0.2986547), wk = 0.0030960
k( 215) = ( 0.0409650 0.5209310 0.3059893), wk = 0.0030960
k( 216) = ( 0.0273100 0.5161831 0.3133238), wk = 0.0030960
k( 217) = ( 0.0136550 0.5114352 0.3206584), wk = 0.0030960
k( 218) = ( 0.0000000 0.5066873 0.3279930), wk = 0.0030960
k( 219) = ( 0.0000000 0.5066873 0.3279930), wk = 0.0030960
k( 220) = ( 0.0089286 0.4991045 0.3397070), wk = 0.0030960
k( 221) = ( 0.0178571 0.4915217 0.3514211), wk = 0.0030960
k( 222) = ( 0.0267857 0.4839389 0.3631351), wk = 0.0030960
k( 223) = ( 0.0357143 0.4763560 0.3748491), wk = 0.0030960
k( 224) = ( 0.0446429 0.4687732 0.3865632), wk = 0.0030960
k( 225) = ( 0.0535714 0.4611904 0.3982772), wk = 0.0030960
k( 226) = ( 0.0625000 0.4536076 0.4099912), wk = 0.0030960
k( 227) = ( 0.0714286 0.4460247 0.4217053), wk = 0.0030960
k( 228) = ( 0.0803571 0.4384419 0.4334193), wk = 0.0030960
k( 229) = ( 0.0892857 0.4308591 0.4451333), wk = 0.0030960
k( 230) = ( 0.0982143 0.4232763 0.4568474), wk = 0.0030960
k( 231) = ( 0.1071429 0.4156934 0.4685614), wk = 0.0030960
k( 232) = ( 0.1160714 0.4081106 0.4802754), wk = 0.0030960
k( 233) = ( 0.1250000 0.4005278 0.4919895), wk = 0.0030960
k( 234) = ( 0.1339286 0.3929450 0.5037035), wk = 0.0030960
k( 235) = ( 0.1428571 0.3853621 0.5154175), wk = 0.0030960
k( 236) = ( 0.1517857 0.3777793 0.5271316), wk = 0.0030960
k( 237) = ( 0.1607143 0.3701965 0.5388456), wk = 0.0030960
k( 238) = ( 0.1696429 0.3626137 0.5505597), wk = 0.0030960
k( 239) = ( 0.1785714 0.3550308 0.5622737), wk = 0.0030960
k( 240) = ( 0.1875000 0.3474480 0.5739877), wk = 0.0030960
k( 241) = ( 0.1964286 0.3398652 0.5857018), wk = 0.0030960
k( 242) = ( 0.2053571 0.3322824 0.5974158), wk = 0.0030960
k( 243) = ( 0.2142857 0.3246995 0.6091298), wk = 0.0030960
k( 244) = ( 0.2232143 0.3171167 0.6208439), wk = 0.0030960
k( 245) = ( 0.2321429 0.3095339 0.6325579), wk = 0.0030960
k( 246) = ( 0.2410714 0.3019511 0.6442719), wk = 0.0030960
k( 247) = ( 0.2500000 0.2943682 0.6559860), wk = 0.0030960
k( 248) = ( 0.2500000 0.2943682 0.6559860), wk = 0.0030960
k( 249) = ( 0.2569444 0.3025451 0.6433542), wk = 0.0030960
k( 250) = ( 0.2638889 0.3107220 0.6307224), wk = 0.0030960
k( 251) = ( 0.2708333 0.3188989 0.6180907), wk = 0.0030960
k( 252) = ( 0.2777778 0.3270758 0.6054589), wk = 0.0030960
k( 253) = ( 0.2847222 0.3352527 0.5928272), wk = 0.0030960
k( 254) = ( 0.2916667 0.3434296 0.5801954), wk = 0.0030960
k( 255) = ( 0.2986111 0.3516065 0.5675636), wk = 0.0030960
k( 256) = ( 0.3055556 0.3597834 0.5549319), wk = 0.0030960
k( 257) = ( 0.3125000 0.3679603 0.5423001), wk = 0.0030960
k( 258) = ( 0.3194444 0.3761372 0.5296683), wk = 0.0030960
k( 259) = ( 0.3263889 0.3843141 0.5170366), wk = 0.0030960
k( 260) = ( 0.3333333 0.3924910 0.5044048), wk = 0.0030960
k( 261) = ( 0.3402778 0.4006679 0.4917731), wk = 0.0030960
k( 262) = ( 0.3472222 0.4088448 0.4791413), wk = 0.0030960
k( 263) = ( 0.3541667 0.4170217 0.4665095), wk = 0.0030960
k( 264) = ( 0.3611111 0.4251986 0.4538778), wk = 0.0030960
k( 265) = ( 0.3680556 0.4333755 0.4412460), wk = 0.0030960
k( 266) = ( 0.3750000 0.4415524 0.4286143), wk = 0.0030960
k( 267) = ( 0.3819444 0.4497293 0.4159825), wk = 0.0030960
k( 268) = ( 0.3888889 0.4579062 0.4033507), wk = 0.0030960
k( 269) = ( 0.3958333 0.4660830 0.3907190), wk = 0.0030960
k( 270) = ( 0.4027778 0.4742599 0.3780872), wk = 0.0030960
k( 271) = ( 0.4097222 0.4824368 0.3654554), wk = 0.0030960
k( 272) = ( 0.4166667 0.4906137 0.3528237), wk = 0.0030960
k( 273) = ( 0.4236111 0.4987906 0.3401919), wk = 0.0030960
k( 274) = ( 0.4305556 0.5069675 0.3275602), wk = 0.0030960
k( 275) = ( 0.4375000 0.5151444 0.3149284), wk = 0.0030960
k( 276) = ( 0.4444444 0.5233213 0.3022966), wk = 0.0030960
k( 277) = ( 0.4513889 0.5314982 0.2896649), wk = 0.0030960
k( 278) = ( 0.4583333 0.5396751 0.2770331), wk = 0.0030960
k( 279) = ( 0.4652778 0.5478520 0.2644013), wk = 0.0030960
k( 280) = ( 0.4722222 0.5560289 0.2517696), wk = 0.0030960
k( 281) = ( 0.4791667 0.5642058 0.2391378), wk = 0.0030960
k( 282) = ( 0.4861111 0.5723827 0.2265061), wk = 0.0030960
k( 283) = ( 0.4930556 0.5805596 0.2138743), wk = 0.0030960
k( 284) = ( 0.5000000 0.5887365 0.2012425), wk = 0.0030960
k( 285) = ( 0.5000000 0.5887365 0.2012425), wk = 0.0030960
k( 286) = ( 0.5000000 0.5887365 0.1857623), wk = 0.0030960
k( 287) = ( 0.5000000 0.5887365 0.1702821), wk = 0.0030960
k( 288) = ( 0.5000000 0.5887365 0.1548019), wk = 0.0030960
k( 289) = ( 0.5000000 0.5887365 0.1393218), wk = 0.0030960
k( 290) = ( 0.5000000 0.5887365 0.1238416), wk = 0.0030960
k( 291) = ( 0.5000000 0.5887365 0.1083614), wk = 0.0030960
k( 292) = ( 0.5000000 0.5887365 0.0928812), wk = 0.0030960
k( 293) = ( 0.5000000 0.5887365 0.0774010), wk = 0.0030960
k( 294) = ( 0.5000000 0.5887365 0.0619208), wk = 0.0030960
k( 295) = ( 0.5000000 0.5887365 0.0464406), wk = 0.0030960
k( 296) = ( 0.5000000 0.5887365 0.0309604), wk = 0.0030960
k( 297) = ( 0.5000000 0.5887365 0.0154802), wk = 0.0030960
k( 298) = ( 0.5000000 0.5887365 -0.0000000), wk = 0.0030960
k( 299) = ( 0.0000000 0.0000000 0.6559860), wk = 0.0030960
k( 300) = ( 0.0104167 0.0122653 0.6559860), wk = 0.0030960
k( 301) = ( 0.0208333 0.0245307 0.6559860), wk = 0.0030960
k( 302) = ( 0.0312500 0.0367960 0.6559860), wk = 0.0030960
k( 303) = ( 0.0416667 0.0490614 0.6559860), wk = 0.0030960
k( 304) = ( 0.0520833 0.0613267 0.6559860), wk = 0.0030960
k( 305) = ( 0.0625000 0.0735921 0.6559860), wk = 0.0030960
k( 306) = ( 0.0729167 0.0858574 0.6559860), wk = 0.0030960
k( 307) = ( 0.0833333 0.0981227 0.6559860), wk = 0.0030960
k( 308) = ( 0.0937500 0.1103881 0.6559860), wk = 0.0030960
k( 309) = ( 0.1041667 0.1226534 0.6559860), wk = 0.0030960
k( 310) = ( 0.1145833 0.1349188 0.6559860), wk = 0.0030960
k( 311) = ( 0.1250000 0.1471841 0.6559860), wk = 0.0030960
k( 312) = ( 0.1354167 0.1594495 0.6559860), wk = 0.0030960
k( 313) = ( 0.1458333 0.1717148 0.6559860), wk = 0.0030960
k( 314) = ( 0.1562500 0.1839802 0.6559860), wk = 0.0030960
k( 315) = ( 0.1666667 0.1962455 0.6559860), wk = 0.0030960
k( 316) = ( 0.1770833 0.2085108 0.6559860), wk = 0.0030960
k( 317) = ( 0.1875000 0.2207762 0.6559860), wk = 0.0030960
k( 318) = ( 0.1979167 0.2330415 0.6559860), wk = 0.0030960
k( 319) = ( 0.2083333 0.2453069 0.6559860), wk = 0.0030960
k( 320) = ( 0.2187500 0.2575722 0.6559860), wk = 0.0030960
k( 321) = ( 0.2291667 0.2698376 0.6559860), wk = 0.0030960
k( 322) = ( 0.2395833 0.2821029 0.6559860), wk = 0.0030960
k( 323) = ( 0.2500000 0.2943682 0.6559860), wk = 0.0030960
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0030960
k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0030960
k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0030960
k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030960
k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960
k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0030960
k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0030960
k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030960
k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0030960
k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960
k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0030960
k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030960
k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0030960
k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0030960
k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960
k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030960
k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0030960
k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0030960
k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0030960
k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960
k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0030960
k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0030960
k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0030960
k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030960
k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960
k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0030960
k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0030960
k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030960
k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0030960
k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960
k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0030960
k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030960
k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0030960
k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0030960
k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960
k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030960
k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0030960
k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0030960
k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0030960
k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960
k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960
k( 43) = ( -0.0123789 0.0123790 0.5000000), wk = 0.0030960
k( 44) = ( -0.0247579 0.0247579 0.5000000), wk = 0.0030960
k( 45) = ( -0.0371368 0.0371368 0.5000000), wk = 0.0030960
k( 46) = ( -0.0495158 0.0495158 0.5000000), wk = 0.0030960
k( 47) = ( -0.0618948 0.0618948 0.5000000), wk = 0.0030960
k( 48) = ( -0.0742737 0.0742737 0.5000000), wk = 0.0030960
k( 49) = ( -0.0866527 0.0866527 0.5000000), wk = 0.0030960
k( 50) = ( -0.0990316 0.0990316 0.5000000), wk = 0.0030960
k( 51) = ( -0.1114106 0.1114106 0.5000000), wk = 0.0030960
k( 52) = ( -0.1237895 0.1237895 0.5000000), wk = 0.0030960
k( 53) = ( -0.1361685 0.1361685 0.5000000), wk = 0.0030960
k( 54) = ( -0.1485474 0.1485474 0.5000000), wk = 0.0030960
k( 55) = ( -0.1609264 0.1609264 0.5000000), wk = 0.0030960
k( 56) = ( -0.1733053 0.1733053 0.5000000), wk = 0.0030960
k( 57) = ( -0.1856843 0.1856843 0.5000000), wk = 0.0030960
k( 58) = ( -0.1980632 0.1980632 0.5000000), wk = 0.0030960
k( 59) = ( -0.2104422 0.2104422 0.5000000), wk = 0.0030960
k( 60) = ( -0.2228211 0.2228211 0.5000000), wk = 0.0030960
k( 61) = ( -0.2352001 0.2352001 0.5000000), wk = 0.0030960
k( 62) = ( -0.2475790 0.2475790 0.5000000), wk = 0.0030960
k( 63) = ( -0.2599580 0.2599580 0.5000000), wk = 0.0030960
k( 64) = ( -0.2723369 0.2723369 0.5000000), wk = 0.0030960
k( 65) = ( -0.2847159 0.2847159 0.5000000), wk = 0.0030960
k( 66) = ( -0.2970948 0.2970948 0.5000000), wk = 0.0030960
k( 67) = ( -0.3094738 0.3094738 0.5000000), wk = 0.0030960
k( 68) = ( -0.3218527 0.3218527 0.5000000), wk = 0.0030960
k( 69) = ( -0.3342317 0.3342317 0.5000000), wk = 0.0030960
k( 70) = ( -0.3466107 0.3466107 0.5000000), wk = 0.0030960
k( 71) = ( -0.3466107 0.3466107 0.5000000), wk = 0.0030960
k( 72) = ( -0.3551323 0.3551323 0.4914784), wk = 0.0030960
k( 73) = ( -0.3636539 0.3636539 0.4829567), wk = 0.0030960
k( 74) = ( -0.3721755 0.3721755 0.4744351), wk = 0.0030960
k( 75) = ( -0.3806972 0.3806972 0.4659135), wk = 0.0030960
k( 76) = ( -0.3892188 0.3892188 0.4573918), wk = 0.0030960
k( 77) = ( -0.3977404 0.3977404 0.4488702), wk = 0.0030960
k( 78) = ( -0.4062621 0.4062621 0.4403486), wk = 0.0030960
k( 79) = ( -0.4147837 0.4147837 0.4318269), wk = 0.0030960
k( 80) = ( -0.4233053 0.4233053 0.4233053), wk = 0.0030960
k( 81) = ( -0.4233053 0.4233053 0.4233053), wk = 0.0030960
k( 82) = ( -0.4142988 0.4142988 0.4142988), wk = 0.0030960
k( 83) = ( -0.4052923 0.4052923 0.4052923), wk = 0.0030960
k( 84) = ( -0.3962858 0.3962858 0.3962858), wk = 0.0030960
k( 85) = ( -0.3872793 0.3872793 0.3872793), wk = 0.0030960
k( 86) = ( -0.3782728 0.3782728 0.3782728), wk = 0.0030960
k( 87) = ( -0.3692664 0.3692664 0.3692663), wk = 0.0030960
k( 88) = ( -0.3602598 0.3602598 0.3602598), wk = 0.0030960
k( 89) = ( -0.3512534 0.3512534 0.3512533), wk = 0.0030960
k( 90) = ( -0.3422469 0.3422469 0.3422469), wk = 0.0030960
k( 91) = ( -0.3332404 0.3332404 0.3332404), wk = 0.0030960
k( 92) = ( -0.3242339 0.3242339 0.3242339), wk = 0.0030960
k( 93) = ( -0.3152274 0.3152274 0.3152274), wk = 0.0030960
k( 94) = ( -0.3062209 0.3062209 0.3062209), wk = 0.0030960
k( 95) = ( -0.2972144 0.2972144 0.2972144), wk = 0.0030960
k( 96) = ( -0.2882079 0.2882079 0.2882079), wk = 0.0030960
k( 97) = ( -0.2792014 0.2792014 0.2792014), wk = 0.0030960
k( 98) = ( -0.2701949 0.2701949 0.2701949), wk = 0.0030960
k( 99) = ( -0.2611884 0.2611884 0.2611884), wk = 0.0030960
k( 100) = ( -0.2521819 0.2521819 0.2521819), wk = 0.0030960
k( 101) = ( -0.2431754 0.2431754 0.2431754), wk = 0.0030960
k( 102) = ( -0.2341689 0.2341689 0.2341689), wk = 0.0030960
k( 103) = ( -0.2251624 0.2251624 0.2251624), wk = 0.0030960
k( 104) = ( -0.2161559 0.2161559 0.2161559), wk = 0.0030960
k( 105) = ( -0.2071494 0.2071494 0.2071494), wk = 0.0030960
k( 106) = ( -0.1981429 0.1981429 0.1981429), wk = 0.0030960
k( 107) = ( -0.1891364 0.1891364 0.1891364), wk = 0.0030960
k( 108) = ( -0.1801299 0.1801299 0.1801299), wk = 0.0030960
k( 109) = ( -0.1711234 0.1711234 0.1711234), wk = 0.0030960
k( 110) = ( -0.1621169 0.1621169 0.1621169), wk = 0.0030960
k( 111) = ( -0.1531104 0.1531104 0.1531104), wk = 0.0030960
k( 112) = ( -0.1441039 0.1441039 0.1441039), wk = 0.0030960
k( 113) = ( -0.1350974 0.1350974 0.1350974), wk = 0.0030960
k( 114) = ( -0.1260910 0.1260910 0.1260910), wk = 0.0030960
k( 115) = ( -0.1170845 0.1170845 0.1170844), wk = 0.0030960
k( 116) = ( -0.1080780 0.1080780 0.1080779), wk = 0.0030960
k( 117) = ( -0.0990715 0.0990715 0.0990715), wk = 0.0030960
k( 118) = ( -0.0900650 0.0900650 0.0900650), wk = 0.0030960
k( 119) = ( -0.0810585 0.0810585 0.0810585), wk = 0.0030960
k( 120) = ( -0.0720520 0.0720520 0.0720520), wk = 0.0030960
k( 121) = ( -0.0630455 0.0630455 0.0630455), wk = 0.0030960
k( 122) = ( -0.0540390 0.0540390 0.0540390), wk = 0.0030960
k( 123) = ( -0.0450325 0.0450325 0.0450325), wk = 0.0030960
k( 124) = ( -0.0360260 0.0360260 0.0360260), wk = 0.0030960
k( 125) = ( -0.0270195 0.0270195 0.0270195), wk = 0.0030960
k( 126) = ( -0.0180130 0.0180130 0.0180130), wk = 0.0030960
k( 127) = ( -0.0090065 0.0090065 0.0090065), wk = 0.0030960
k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960
k( 130) = ( 0.0106383 0.0106383 -0.0106383), wk = 0.0030960
k( 131) = ( 0.0212766 0.0212766 -0.0212766), wk = 0.0030960
k( 132) = ( 0.0319149 0.0319149 -0.0319149), wk = 0.0030960
k( 133) = ( 0.0425532 0.0425532 -0.0425532), wk = 0.0030960
k( 134) = ( 0.0531915 0.0531915 -0.0531915), wk = 0.0030960
k( 135) = ( 0.0638298 0.0638298 -0.0638298), wk = 0.0030960
k( 136) = ( 0.0744681 0.0744681 -0.0744681), wk = 0.0030960
k( 137) = ( 0.0851064 0.0851064 -0.0851064), wk = 0.0030960
k( 138) = ( 0.0957447 0.0957447 -0.0957447), wk = 0.0030960
k( 139) = ( 0.1063830 0.1063830 -0.1063830), wk = 0.0030960
k( 140) = ( 0.1170213 0.1170213 -0.1170213), wk = 0.0030960
k( 141) = ( 0.1276596 0.1276596 -0.1276596), wk = 0.0030960
k( 142) = ( 0.1382979 0.1382979 -0.1382979), wk = 0.0030960
k( 143) = ( 0.1489362 0.1489362 -0.1489362), wk = 0.0030960
k( 144) = ( 0.1595745 0.1595745 -0.1595745), wk = 0.0030960
k( 145) = ( 0.1702128 0.1702128 -0.1702128), wk = 0.0030960
k( 146) = ( 0.1808511 0.1808511 -0.1808511), wk = 0.0030960
k( 147) = ( 0.1914894 0.1914894 -0.1914894), wk = 0.0030960
k( 148) = ( 0.2021277 0.2021277 -0.2021277), wk = 0.0030960
k( 149) = ( 0.2127660 0.2127660 -0.2127660), wk = 0.0030960
k( 150) = ( 0.2234043 0.2234043 -0.2234043), wk = 0.0030960
k( 151) = ( 0.2340425 0.2340425 -0.2340425), wk = 0.0030960
k( 152) = ( 0.2446809 0.2446808 -0.2446808), wk = 0.0030960
k( 153) = ( 0.2553191 0.2553191 -0.2553191), wk = 0.0030960
k( 154) = ( 0.2659574 0.2659574 -0.2659574), wk = 0.0030960
k( 155) = ( 0.2765957 0.2765957 -0.2765957), wk = 0.0030960
k( 156) = ( 0.2872340 0.2872340 -0.2872340), wk = 0.0030960
k( 157) = ( 0.2978723 0.2978723 -0.2978723), wk = 0.0030960
k( 158) = ( 0.3085106 0.3085106 -0.3085106), wk = 0.0030960
k( 159) = ( 0.3191489 0.3191489 -0.3191489), wk = 0.0030960
k( 160) = ( 0.3297872 0.3297872 -0.3297872), wk = 0.0030960
k( 161) = ( 0.3404255 0.3404255 -0.3404255), wk = 0.0030960
k( 162) = ( 0.3510638 0.3510638 -0.3510638), wk = 0.0030960
k( 163) = ( 0.3617021 0.3617021 -0.3617021), wk = 0.0030960
k( 164) = ( 0.3723404 0.3723404 -0.3723404), wk = 0.0030960
k( 165) = ( 0.3829787 0.3829787 -0.3829787), wk = 0.0030960
k( 166) = ( 0.3936170 0.3936170 -0.3936170), wk = 0.0030960
k( 167) = ( 0.4042553 0.4042553 -0.4042553), wk = 0.0030960
k( 168) = ( 0.4148936 0.4148936 -0.4148936), wk = 0.0030960
k( 169) = ( 0.4255319 0.4255319 -0.4255319), wk = 0.0030960
k( 170) = ( 0.4361702 0.4361702 -0.4361702), wk = 0.0030960
k( 171) = ( 0.4468085 0.4468085 -0.4468085), wk = 0.0030960
k( 172) = ( 0.4574468 0.4574468 -0.4574468), wk = 0.0030960
k( 173) = ( 0.4680851 0.4680851 -0.4680851), wk = 0.0030960
k( 174) = ( 0.4787234 0.4787234 -0.4787234), wk = 0.0030960
k( 175) = ( 0.4893617 0.4893617 -0.4893617), wk = 0.0030960
k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030960
k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030960
k( 178) = ( 0.4914784 0.5085216 -0.4914784), wk = 0.0030960
k( 179) = ( 0.4829567 0.5170433 -0.4829567), wk = 0.0030960
k( 180) = ( 0.4744351 0.5255649 -0.4744351), wk = 0.0030960
k( 181) = ( 0.4659135 0.5340865 -0.4659135), wk = 0.0030960
k( 182) = ( 0.4573918 0.5426082 -0.4573918), wk = 0.0030960
k( 183) = ( 0.4488702 0.5511298 -0.4488702), wk = 0.0030960
k( 184) = ( 0.4403486 0.5596514 -0.4403486), wk = 0.0030960
k( 185) = ( 0.4318269 0.5681730 -0.4318269), wk = 0.0030960
k( 186) = ( 0.4233053 0.5766947 -0.4233053), wk = 0.0030960
k( 187) = ( 0.4233053 0.5766947 -0.4233053), wk = 0.0030960
k( 188) = ( 0.4096503 0.5742206 -0.4096503), wk = 0.0030960
k( 189) = ( 0.3959953 0.5717466 -0.3959953), wk = 0.0030960
k( 190) = ( 0.3823403 0.5692726 -0.3823403), wk = 0.0030960
k( 191) = ( 0.3686853 0.5667986 -0.3686853), wk = 0.0030960
k( 192) = ( 0.3550303 0.5643246 -0.3550303), wk = 0.0030960
k( 193) = ( 0.3413753 0.5618506 -0.3413753), wk = 0.0030960
k( 194) = ( 0.3277202 0.5593765 -0.3277202), wk = 0.0030960
k( 195) = ( 0.3140652 0.5569025 -0.3140652), wk = 0.0030960
k( 196) = ( 0.3004102 0.5544285 -0.3004102), wk = 0.0030960
k( 197) = ( 0.2867552 0.5519545 -0.2867552), wk = 0.0030960
k( 198) = ( 0.2731002 0.5494804 -0.2731002), wk = 0.0030960
k( 199) = ( 0.2594452 0.5470064 -0.2594452), wk = 0.0030960
k( 200) = ( 0.2457902 0.5445324 -0.2457902), wk = 0.0030960
k( 201) = ( 0.2321352 0.5420584 -0.2321352), wk = 0.0030960
k( 202) = ( 0.2184802 0.5395844 -0.2184802), wk = 0.0030960
k( 203) = ( 0.2048252 0.5371103 -0.2048252), wk = 0.0030960
k( 204) = ( 0.1911702 0.5346363 -0.1911702), wk = 0.0030960
k( 205) = ( 0.1775151 0.5321623 -0.1775151), wk = 0.0030960
k( 206) = ( 0.1638601 0.5296883 -0.1638601), wk = 0.0030960
k( 207) = ( 0.1502051 0.5272142 -0.1502051), wk = 0.0030960
k( 208) = ( 0.1365501 0.5247402 -0.1365501), wk = 0.0030960
k( 209) = ( 0.1228951 0.5222662 -0.1228951), wk = 0.0030960
k( 210) = ( 0.1092401 0.5197922 -0.1092401), wk = 0.0030960
k( 211) = ( 0.0955851 0.5173182 -0.0955851), wk = 0.0030960
k( 212) = ( 0.0819301 0.5148441 -0.0819301), wk = 0.0030960
k( 213) = ( 0.0682751 0.5123701 -0.0682751), wk = 0.0030960
k( 214) = ( 0.0546200 0.5098961 -0.0546200), wk = 0.0030960
k( 215) = ( 0.0409650 0.5074221 -0.0409650), wk = 0.0030960
k( 216) = ( 0.0273100 0.5049480 -0.0273100), wk = 0.0030960
k( 217) = ( 0.0136550 0.5024740 -0.0136550), wk = 0.0030960
k( 218) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030960
k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030960
k( 220) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0030960
k( 221) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0030960
k( 222) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0030960
k( 223) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0030960
k( 224) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0030960
k( 225) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0030960
k( 226) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030960
k( 227) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0030960
k( 228) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0030960
k( 229) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0030960
k( 230) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0030960
k( 231) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0030960
k( 232) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0030960
k( 233) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030960
k( 234) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0030960
k( 235) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0030960
k( 236) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0030960
k( 237) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0030960
k( 238) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0030960
k( 239) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0030960
k( 240) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030960
k( 241) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0030960
k( 242) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0030960
k( 243) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0030960
k( 244) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0030960
k( 245) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0030960
k( 246) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0030960
k( 247) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960
k( 248) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960
k( 249) = ( 0.2569444 0.2569444 0.2334275), wk = 0.0030960
k( 250) = ( 0.2638889 0.2638889 0.2168550), wk = 0.0030960
k( 251) = ( 0.2708333 0.2708333 0.2002824), wk = 0.0030960
k( 252) = ( 0.2777778 0.2777778 0.1837099), wk = 0.0030960
k( 253) = ( 0.2847222 0.2847222 0.1671374), wk = 0.0030960
k( 254) = ( 0.2916667 0.2916667 0.1505649), wk = 0.0030960
k( 255) = ( 0.2986111 0.2986111 0.1339924), wk = 0.0030960
k( 256) = ( 0.3055556 0.3055556 0.1174199), wk = 0.0030960
k( 257) = ( 0.3125000 0.3125000 0.1008473), wk = 0.0030960
k( 258) = ( 0.3194444 0.3194444 0.0842748), wk = 0.0030960
k( 259) = ( 0.3263889 0.3263889 0.0677023), wk = 0.0030960
k( 260) = ( 0.3333333 0.3333333 0.0511298), wk = 0.0030960
k( 261) = ( 0.3402778 0.3402778 0.0345573), wk = 0.0030960
k( 262) = ( 0.3472222 0.3472222 0.0179847), wk = 0.0030960
k( 263) = ( 0.3541667 0.3541667 0.0014122), wk = 0.0030960
k( 264) = ( 0.3611111 0.3611111 -0.0151603), wk = 0.0030960
k( 265) = ( 0.3680556 0.3680556 -0.0317328), wk = 0.0030960
k( 266) = ( 0.3750000 0.3750000 -0.0483053), wk = 0.0030960
k( 267) = ( 0.3819444 0.3819444 -0.0648778), wk = 0.0030960
k( 268) = ( 0.3888889 0.3888889 -0.0814504), wk = 0.0030960
k( 269) = ( 0.3958333 0.3958333 -0.0980229), wk = 0.0030960
k( 270) = ( 0.4027778 0.4027778 -0.1145954), wk = 0.0030960
k( 271) = ( 0.4097222 0.4097222 -0.1311679), wk = 0.0030960
k( 272) = ( 0.4166667 0.4166667 -0.1477404), wk = 0.0030960
k( 273) = ( 0.4236111 0.4236111 -0.1643130), wk = 0.0030960
k( 274) = ( 0.4305556 0.4305556 -0.1808855), wk = 0.0030960
k( 275) = ( 0.4375000 0.4375000 -0.1974580), wk = 0.0030960
k( 276) = ( 0.4444444 0.4444444 -0.2140305), wk = 0.0030960
k( 277) = ( 0.4513889 0.4513889 -0.2306030), wk = 0.0030960
k( 278) = ( 0.4583333 0.4583333 -0.2471755), wk = 0.0030960
k( 279) = ( 0.4652778 0.4652778 -0.2637481), wk = 0.0030960
k( 280) = ( 0.4722222 0.4722222 -0.2803206), wk = 0.0030960
k( 281) = ( 0.4791667 0.4791667 -0.2968931), wk = 0.0030960
k( 282) = ( 0.4861111 0.4861111 -0.3134656), wk = 0.0030960
k( 283) = ( 0.4930556 0.4930556 -0.3300381), wk = 0.0030960
k( 284) = ( 0.5000000 0.5000000 -0.3466107), wk = 0.0030960
k( 285) = ( 0.5000000 0.5000000 -0.3466107), wk = 0.0030960
k( 286) = ( 0.5000000 0.5000000 -0.3584098), wk = 0.0030960
k( 287) = ( 0.5000000 0.5000000 -0.3702090), wk = 0.0030960
k( 288) = ( 0.5000000 0.5000000 -0.3820082), wk = 0.0030960
k( 289) = ( 0.5000000 0.5000000 -0.3938074), wk = 0.0030960
k( 290) = ( 0.5000000 0.5000000 -0.4056066), wk = 0.0030960
k( 291) = ( 0.5000000 0.5000000 -0.4174057), wk = 0.0030960
k( 292) = ( 0.5000000 0.5000000 -0.4292049), wk = 0.0030960
k( 293) = ( 0.5000000 0.5000000 -0.4410041), wk = 0.0030960
k( 294) = ( 0.5000000 0.5000000 -0.4528033), wk = 0.0030960
k( 295) = ( 0.5000000 0.5000000 -0.4646025), wk = 0.0030960
k( 296) = ( 0.5000000 0.5000000 -0.4764016), wk = 0.0030960
k( 297) = ( 0.5000000 0.5000000 -0.4882008), wk = 0.0030960
k( 298) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030960
k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960
k( 300) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0030960
k( 301) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0030960
k( 302) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030960
k( 303) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0030960
k( 304) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0030960
k( 305) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030960
k( 306) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0030960
k( 307) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030960
k( 308) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030960
k( 309) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0030960
k( 310) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0030960
k( 311) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030960
k( 312) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0030960
k( 313) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0030960
k( 314) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030960
k( 315) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030960
k( 316) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0030960
k( 317) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030960
k( 318) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0030960
k( 319) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0030960
k( 320) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030960
k( 321) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0030960
k( 322) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0030960
k( 323) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030960
Dense grid: 70397 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 35273 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.23 Mb ( 262, 58)
NL pseudopotentials 0.26 Mb ( 131, 128)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1955)
G-vector shells 0.01 Mb ( 908)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.93 Mb ( 262, 232)
Each subspace H/S matrix 0.05 Mb ( 58, 58)
Each <psi_i|beta_j> matrix 0.23 Mb ( 128, 2, 58)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./KHF2.save/charge-density.dat
Starting wfc are 68 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 2.5 secs
Computing kpt #: 2
total cpu time spent up to now is 3.1 secs
Computing kpt #: 3
total cpu time spent up to now is 3.8 secs
Computing kpt #: 4
total cpu time spent up to now is 4.4 secs
Computing kpt #: 5
total cpu time spent up to now is 5.0 secs
Computing kpt #: 6
total cpu time spent up to now is 5.6 secs
Computing kpt #: 7
total cpu time spent up to now is 6.2 secs
Computing kpt #: 8
total cpu time spent up to now is 6.7 secs
Computing kpt #: 9
total cpu time spent up to now is 7.2 secs
Computing kpt #: 10
total cpu time spent up to now is 7.8 secs
Computing kpt #: 11
total cpu time spent up to now is 8.3 secs
Computing kpt #: 12
total cpu time spent up to now is 8.9 secs
Computing kpt #: 13
total cpu time spent up to now is 9.4 secs
Computing kpt #: 14
total cpu time spent up to now is 9.9 secs
Computing kpt #: 15
total cpu time spent up to now is 10.4 secs
Computing kpt #: 16
total cpu time spent up to now is 10.9 secs
Computing kpt #: 17
total cpu time spent up to now is 11.5 secs
Computing kpt #: 18
total cpu time spent up to now is 12.0 secs
Computing kpt #: 19
total cpu time spent up to now is 12.5 secs
Computing kpt #: 20
total cpu time spent up to now is 13.0 secs
Computing kpt #: 21
total cpu time spent up to now is 13.6 secs
Computing kpt #: 22
total cpu time spent up to now is 14.1 secs
Computing kpt #: 23
total cpu time spent up to now is 14.6 secs
Computing kpt #: 24
total cpu time spent up to now is 15.1 secs
Computing kpt #: 25
total cpu time spent up to now is 15.7 secs
Computing kpt #: 26
total cpu time spent up to now is 16.2 secs
Computing kpt #: 27
total cpu time spent up to now is 16.7 secs
Computing kpt #: 28
total cpu time spent up to now is 17.3 secs
Computing kpt #: 29
total cpu time spent up to now is 17.9 secs
Computing kpt #: 30
total cpu time spent up to now is 18.6 secs
Computing kpt #: 31
total cpu time spent up to now is 19.3 secs
Computing kpt #: 32
total cpu time spent up to now is 20.0 secs
Computing kpt #: 33
total cpu time spent up to now is 20.7 secs
Computing kpt #: 34
total cpu time spent up to now is 21.3 secs
Computing kpt #: 35
total cpu time spent up to now is 22.0 secs
Computing kpt #: 36
total cpu time spent up to now is 22.6 secs
Computing kpt #: 37
total cpu time spent up to now is 23.2 secs
Computing kpt #: 38
total cpu time spent up to now is 23.8 secs
Computing kpt #: 39
total cpu time spent up to now is 24.4 secs
Computing kpt #: 40
total cpu time spent up to now is 25.1 secs
Computing kpt #: 41
total cpu time spent up to now is 25.7 secs
Computing kpt #: 42
total cpu time spent up to now is 26.4 secs
Computing kpt #: 43
total cpu time spent up to now is 27.0 secs
Computing kpt #: 44
total cpu time spent up to now is 27.7 secs
Computing kpt #: 45
total cpu time spent up to now is 28.3 secs
Computing kpt #: 46
total cpu time spent up to now is 29.0 secs
Computing kpt #: 47
total cpu time spent up to now is 29.6 secs
Computing kpt #: 48
total cpu time spent up to now is 30.3 secs
Computing kpt #: 49
total cpu time spent up to now is 30.9 secs
Computing kpt #: 50
total cpu time spent up to now is 31.6 secs
Computing kpt #: 51
total cpu time spent up to now is 32.2 secs
Computing kpt #: 52
total cpu time spent up to now is 32.9 secs
Computing kpt #: 53
total cpu time spent up to now is 33.5 secs
Computing kpt #: 54
total cpu time spent up to now is 34.2 secs
Computing kpt #: 55
total cpu time spent up to now is 34.9 secs
Computing kpt #: 56
total cpu time spent up to now is 35.5 secs
Computing kpt #: 57
total cpu time spent up to now is 36.2 secs
Computing kpt #: 58
total cpu time spent up to now is 36.9 secs
Computing kpt #: 59
total cpu time spent up to now is 37.5 secs
Computing kpt #: 60
total cpu time spent up to now is 38.2 secs
Computing kpt #: 61
total cpu time spent up to now is 38.8 secs
Computing kpt #: 62
total cpu time spent up to now is 39.5 secs
Computing kpt #: 63
total cpu time spent up to now is 40.2 secs
Computing kpt #: 64
total cpu time spent up to now is 40.8 secs
Computing kpt #: 65
total cpu time spent up to now is 41.5 secs
Computing kpt #: 66
total cpu time spent up to now is 42.2 secs
Computing kpt #: 67
total cpu time spent up to now is 42.8 secs
Computing kpt #: 68
total cpu time spent up to now is 43.5 secs
Computing kpt #: 69
total cpu time spent up to now is 44.2 secs
Computing kpt #: 70
total cpu time spent up to now is 44.9 secs
Computing kpt #: 71
total cpu time spent up to now is 45.5 secs
Computing kpt #: 72
total cpu time spent up to now is 46.2 secs
Computing kpt #: 73
total cpu time spent up to now is 46.8 secs
Computing kpt #: 74
total cpu time spent up to now is 47.5 secs
Computing kpt #: 75
total cpu time spent up to now is 48.2 secs
Computing kpt #: 76
total cpu time spent up to now is 48.8 secs
Computing kpt #: 77
total cpu time spent up to now is 49.5 secs
Computing kpt #: 78
total cpu time spent up to now is 50.2 secs
Computing kpt #: 79
total cpu time spent up to now is 50.8 secs
Computing kpt #: 80
total cpu time spent up to now is 51.5 secs
Computing kpt #: 81
total cpu time spent up to now is 52.2 secs
Computing kpt #: 82
total cpu time spent up to now is 52.9 secs
Computing kpt #: 83
total cpu time spent up to now is 53.5 secs
Computing kpt #: 84
total cpu time spent up to now is 54.2 secs
Computing kpt #: 85
total cpu time spent up to now is 54.9 secs
Computing kpt #: 86
total cpu time spent up to now is 55.5 secs
Computing kpt #: 87
total cpu time spent up to now is 56.1 secs
Computing kpt #: 88
total cpu time spent up to now is 56.7 secs
Computing kpt #: 89
total cpu time spent up to now is 57.3 secs
Computing kpt #: 90
total cpu time spent up to now is 57.9 secs
Computing kpt #: 91
total cpu time spent up to now is 58.4 secs
Computing kpt #: 92
total cpu time spent up to now is 59.0 secs
Computing kpt #: 93
total cpu time spent up to now is 59.5 secs
Computing kpt #: 94
total cpu time spent up to now is 60.0 secs
Computing kpt #: 95
total cpu time spent up to now is 60.5 secs
Computing kpt #: 96
total cpu time spent up to now is 61.0 secs
Computing kpt #: 97
total cpu time spent up to now is 61.6 secs
Computing kpt #: 98
total cpu time spent up to now is 62.1 secs
Computing kpt #: 99
total cpu time spent up to now is 62.6 secs
Computing kpt #: 100
total cpu time spent up to now is 63.1 secs
Computing kpt #: 101
total cpu time spent up to now is 63.6 secs
Computing kpt #: 102
total cpu time spent up to now is 64.2 secs
Computing kpt #: 103
total cpu time spent up to now is 64.7 secs
Computing kpt #: 104
total cpu time spent up to now is 65.2 secs
Computing kpt #: 105
total cpu time spent up to now is 65.7 secs
Computing kpt #: 106
total cpu time spent up to now is 66.2 secs
Computing kpt #: 107
total cpu time spent up to now is 66.7 secs
Computing kpt #: 108
total cpu time spent up to now is 67.3 secs
Computing kpt #: 109
total cpu time spent up to now is 67.8 secs
Computing kpt #: 110
total cpu time spent up to now is 68.3 secs
Computing kpt #: 111
total cpu time spent up to now is 68.8 secs
Computing kpt #: 112
total cpu time spent up to now is 69.3 secs
Computing kpt #: 113
total cpu time spent up to now is 69.9 secs
Computing kpt #: 114
total cpu time spent up to now is 70.4 secs
Computing kpt #: 115
total cpu time spent up to now is 70.9 secs
Computing kpt #: 116
total cpu time spent up to now is 71.4 secs
Computing kpt #: 117
total cpu time spent up to now is 72.1 secs
Computing kpt #: 118
total cpu time spent up to now is 72.7 secs
Computing kpt #: 119
total cpu time spent up to now is 73.2 secs
Computing kpt #: 120
total cpu time spent up to now is 73.8 secs
Computing kpt #: 121
total cpu time spent up to now is 74.3 secs
Computing kpt #: 122
total cpu time spent up to now is 74.9 secs
Computing kpt #: 123
total cpu time spent up to now is 75.5 secs
Computing kpt #: 124
total cpu time spent up to now is 76.1 secs
Computing kpt #: 125
total cpu time spent up to now is 76.7 secs
Computing kpt #: 126
total cpu time spent up to now is 77.3 secs
Computing kpt #: 127
total cpu time spent up to now is 77.9 secs
Computing kpt #: 128
total cpu time spent up to now is 78.5 secs
Computing kpt #: 129
total cpu time spent up to now is 79.1 secs
Computing kpt #: 130
total cpu time spent up to now is 79.7 secs
Computing kpt #: 131
total cpu time spent up to now is 80.3 secs
Computing kpt #: 132
total cpu time spent up to now is 80.8 secs
Computing kpt #: 133
total cpu time spent up to now is 81.3 secs
Computing kpt #: 134
total cpu time spent up to now is 81.8 secs
Computing kpt #: 135
total cpu time spent up to now is 82.3 secs
Computing kpt #: 136
total cpu time spent up to now is 83.0 secs
Computing kpt #: 137
total cpu time spent up to now is 83.5 secs
Computing kpt #: 138
total cpu time spent up to now is 84.0 secs
Computing kpt #: 139
total cpu time spent up to now is 84.5 secs
Computing kpt #: 140
total cpu time spent up to now is 85.1 secs
Computing kpt #: 141
total cpu time spent up to now is 85.7 secs
Computing kpt #: 142
total cpu time spent up to now is 86.3 secs
Computing kpt #: 143
total cpu time spent up to now is 86.8 secs
Computing kpt #: 144
total cpu time spent up to now is 87.3 secs
Computing kpt #: 145
total cpu time spent up to now is 87.9 secs
Computing kpt #: 146
total cpu time spent up to now is 88.5 secs
Computing kpt #: 147
total cpu time spent up to now is 89.2 secs
Computing kpt #: 148
total cpu time spent up to now is 89.8 secs
Computing kpt #: 149
total cpu time spent up to now is 90.5 secs
Computing kpt #: 150
total cpu time spent up to now is 91.1 secs
Computing kpt #: 151
total cpu time spent up to now is 91.7 secs
Computing kpt #: 152
total cpu time spent up to now is 92.3 secs
Computing kpt #: 153
total cpu time spent up to now is 93.0 secs
Computing kpt #: 154
total cpu time spent up to now is 93.6 secs
Computing kpt #: 155
total cpu time spent up to now is 94.1 secs
Computing kpt #: 156
total cpu time spent up to now is 94.7 secs
Computing kpt #: 157
total cpu time spent up to now is 95.2 secs
Computing kpt #: 158
total cpu time spent up to now is 95.8 secs
Computing kpt #: 159
total cpu time spent up to now is 96.3 secs
Computing kpt #: 160
total cpu time spent up to now is 96.8 secs
Computing kpt #: 161
total cpu time spent up to now is 97.4 secs
Computing kpt #: 162
total cpu time spent up to now is 97.9 secs
Computing kpt #: 163
total cpu time spent up to now is 98.5 secs
Computing kpt #: 164
total cpu time spent up to now is 99.0 secs
Computing kpt #: 165
total cpu time spent up to now is 99.6 secs
Computing kpt #: 166
total cpu time spent up to now is 100.2 secs
Computing kpt #: 167
total cpu time spent up to now is 100.8 secs
Computing kpt #: 168
total cpu time spent up to now is 101.4 secs
Computing kpt #: 169
total cpu time spent up to now is 102.1 secs
Computing kpt #: 170
total cpu time spent up to now is 102.7 secs
Computing kpt #: 171
total cpu time spent up to now is 103.4 secs
Computing kpt #: 172
total cpu time spent up to now is 104.0 secs
Computing kpt #: 173
total cpu time spent up to now is 104.7 secs
Computing kpt #: 174
total cpu time spent up to now is 105.3 secs
Computing kpt #: 175
total cpu time spent up to now is 106.0 secs
Computing kpt #: 176
total cpu time spent up to now is 106.6 secs
Computing kpt #: 177
total cpu time spent up to now is 107.3 secs
Computing kpt #: 178
total cpu time spent up to now is 108.0 secs
Computing kpt #: 179
total cpu time spent up to now is 108.7 secs
Computing kpt #: 180
total cpu time spent up to now is 109.4 secs
Computing kpt #: 181
total cpu time spent up to now is 110.1 secs
Computing kpt #: 182
total cpu time spent up to now is 110.9 secs
Computing kpt #: 183
total cpu time spent up to now is 111.6 secs
Computing kpt #: 184
total cpu time spent up to now is 112.3 secs
Computing kpt #: 185
total cpu time spent up to now is 113.0 secs
Computing kpt #: 186
total cpu time spent up to now is 113.6 secs
Computing kpt #: 187
total cpu time spent up to now is 114.3 secs
Computing kpt #: 188
total cpu time spent up to now is 115.0 secs
Computing kpt #: 189
total cpu time spent up to now is 115.7 secs
Computing kpt #: 190
total cpu time spent up to now is 116.3 secs
Computing kpt #: 191
total cpu time spent up to now is 117.0 secs
Computing kpt #: 192
total cpu time spent up to now is 117.7 secs
Computing kpt #: 193
total cpu time spent up to now is 118.6 secs
Computing kpt #: 194
total cpu time spent up to now is 119.4 secs
Computing kpt #: 195
total cpu time spent up to now is 120.1 secs
Computing kpt #: 196
total cpu time spent up to now is 120.7 secs
Computing kpt #: 197
total cpu time spent up to now is 121.4 secs
Computing kpt #: 198
total cpu time spent up to now is 122.0 secs
Computing kpt #: 199
total cpu time spent up to now is 122.7 secs
Computing kpt #: 200
total cpu time spent up to now is 123.4 secs
Computing kpt #: 201
total cpu time spent up to now is 123.9 secs
Computing kpt #: 202
total cpu time spent up to now is 124.5 secs
Computing kpt #: 203
total cpu time spent up to now is 125.0 secs
Computing kpt #: 204
total cpu time spent up to now is 125.6 secs
Computing kpt #: 205
total cpu time spent up to now is 126.1 secs
Computing kpt #: 206
total cpu time spent up to now is 126.7 secs
Computing kpt #: 207
total cpu time spent up to now is 127.2 secs
Computing kpt #: 208
total cpu time spent up to now is 127.8 secs
Computing kpt #: 209
total cpu time spent up to now is 128.3 secs
Computing kpt #: 210
total cpu time spent up to now is 128.9 secs
Computing kpt #: 211
total cpu time spent up to now is 129.4 secs
Computing kpt #: 212
total cpu time spent up to now is 130.0 secs
Computing kpt #: 213
total cpu time spent up to now is 130.6 secs
Computing kpt #: 214
total cpu time spent up to now is 131.1 secs
Computing kpt #: 215
total cpu time spent up to now is 131.8 secs
Computing kpt #: 216
total cpu time spent up to now is 132.4 secs
Computing kpt #: 217
total cpu time spent up to now is 133.1 secs
Computing kpt #: 218
total cpu time spent up to now is 133.6 secs
Computing kpt #: 219
total cpu time spent up to now is 134.2 secs
Computing kpt #: 220
total cpu time spent up to now is 134.9 secs
Computing kpt #: 221
total cpu time spent up to now is 135.5 secs
Computing kpt #: 222
total cpu time spent up to now is 136.2 secs
Computing kpt #: 223
total cpu time spent up to now is 136.9 secs
Computing kpt #: 224
total cpu time spent up to now is 137.5 secs
Computing kpt #: 225
total cpu time spent up to now is 138.2 secs
Computing kpt #: 226
total cpu time spent up to now is 138.9 secs
Computing kpt #: 227
total cpu time spent up to now is 139.5 secs
Computing kpt #: 228
total cpu time spent up to now is 140.2 secs
Computing kpt #: 229
total cpu time spent up to now is 140.9 secs
Computing kpt #: 230
total cpu time spent up to now is 141.6 secs
Computing kpt #: 231
total cpu time spent up to now is 142.3 secs
Computing kpt #: 232
total cpu time spent up to now is 143.0 secs
Computing kpt #: 233
total cpu time spent up to now is 143.6 secs
Computing kpt #: 234
total cpu time spent up to now is 144.3 secs
Computing kpt #: 235
total cpu time spent up to now is 145.0 secs
Computing kpt #: 236
total cpu time spent up to now is 145.7 secs
Computing kpt #: 237
total cpu time spent up to now is 146.3 secs
Computing kpt #: 238
total cpu time spent up to now is 147.3 secs
Computing kpt #: 239
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 149.1 secs
Computing kpt #: 240
total cpu time spent up to now is 149.8 secs
Computing kpt #: 241
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 151.5 secs
Computing kpt #: 242
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 153.1 secs
Computing kpt #: 243
total cpu time spent up to now is 154.1 secs
Computing kpt #: 244
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 155.8 secs
Computing kpt #: 245
total cpu time spent up to now is 157.1 secs
Computing kpt #: 246
total cpu time spent up to now is 158.4 secs
Computing kpt #: 247
total cpu time spent up to now is 159.2 secs
Computing kpt #: 248
total cpu time spent up to now is 160.1 secs
Computing kpt #: 249
total cpu time spent up to now is 161.6 secs
Computing kpt #: 250
total cpu time spent up to now is 162.8 secs
Computing kpt #: 251
total cpu time spent up to now is 163.8 secs
Computing kpt #: 252
total cpu time spent up to now is 164.7 secs
Computing kpt #: 253
total cpu time spent up to now is 165.7 secs
Computing kpt #: 254
total cpu time spent up to now is 166.6 secs
Computing kpt #: 255
total cpu time spent up to now is 167.4 secs
Computing kpt #: 256
total cpu time spent up to now is 168.2 secs
Computing kpt #: 257
total cpu time spent up to now is 169.0 secs
Computing kpt #: 258
total cpu time spent up to now is 169.7 secs
Computing kpt #: 259
total cpu time spent up to now is 170.4 secs
Computing kpt #: 260
total cpu time spent up to now is 171.2 secs
Computing kpt #: 261
total cpu time spent up to now is 171.9 secs
Computing kpt #: 262
total cpu time spent up to now is 172.6 secs
Computing kpt #: 263
total cpu time spent up to now is 173.2 secs
Computing kpt #: 264
total cpu time spent up to now is 173.9 secs
Computing kpt #: 265
total cpu time spent up to now is 174.6 secs
Computing kpt #: 266
total cpu time spent up to now is 175.2 secs
Computing kpt #: 267
total cpu time spent up to now is 175.9 secs
Computing kpt #: 268
total cpu time spent up to now is 176.6 secs
Computing kpt #: 269
total cpu time spent up to now is 177.3 secs
Computing kpt #: 270
total cpu time spent up to now is 177.9 secs
Computing kpt #: 271
total cpu time spent up to now is 178.6 secs
Computing kpt #: 272
total cpu time spent up to now is 179.3 secs
Computing kpt #: 273
total cpu time spent up to now is 179.9 secs
Computing kpt #: 274
total cpu time spent up to now is 180.6 secs
Computing kpt #: 275
total cpu time spent up to now is 181.3 secs
Computing kpt #: 276
total cpu time spent up to now is 182.0 secs
Computing kpt #: 277
total cpu time spent up to now is 182.6 secs
Computing kpt #: 278
total cpu time spent up to now is 183.3 secs
Computing kpt #: 279
total cpu time spent up to now is 184.0 secs
Computing kpt #: 280
total cpu time spent up to now is 184.6 secs
Computing kpt #: 281
total cpu time spent up to now is 185.3 secs
Computing kpt #: 282
total cpu time spent up to now is 186.0 secs
Computing kpt #: 283
total cpu time spent up to now is 186.7 secs
Computing kpt #: 284
total cpu time spent up to now is 187.3 secs
Computing kpt #: 285
total cpu time spent up to now is 188.0 secs
Computing kpt #: 286
total cpu time spent up to now is 188.6 secs
Computing kpt #: 287
total cpu time spent up to now is 189.3 secs
Computing kpt #: 288
total cpu time spent up to now is 190.0 secs
Computing kpt #: 289
total cpu time spent up to now is 190.6 secs
Computing kpt #: 290
total cpu time spent up to now is 191.3 secs
Computing kpt #: 291
total cpu time spent up to now is 191.9 secs
Computing kpt #: 292
total cpu time spent up to now is 192.6 secs
Computing kpt #: 293
total cpu time spent up to now is 193.3 secs
Computing kpt #: 294
total cpu time spent up to now is 194.0 secs
Computing kpt #: 295
total cpu time spent up to now is 194.7 secs
Computing kpt #: 296
total cpu time spent up to now is 195.3 secs
Computing kpt #: 297
total cpu time spent up to now is 196.0 secs
Computing kpt #: 298
total cpu time spent up to now is 196.7 secs
Computing kpt #: 299
total cpu time spent up to now is 197.4 secs
Computing kpt #: 300
total cpu time spent up to now is 198.0 secs
Computing kpt #: 301
total cpu time spent up to now is 198.7 secs
Computing kpt #: 302
total cpu time spent up to now is 199.3 secs
Computing kpt #: 303
total cpu time spent up to now is 199.9 secs
Computing kpt #: 304
total cpu time spent up to now is 200.6 secs
Computing kpt #: 305
total cpu time spent up to now is 201.2 secs
Computing kpt #: 306
total cpu time spent up to now is 201.9 secs
Computing kpt #: 307
total cpu time spent up to now is 202.5 secs
Computing kpt #: 308
total cpu time spent up to now is 203.2 secs
Computing kpt #: 309
total cpu time spent up to now is 203.8 secs
Computing kpt #: 310
total cpu time spent up to now is 204.5 secs
Computing kpt #: 311
total cpu time spent up to now is 205.2 secs
Computing kpt #: 312
total cpu time spent up to now is 205.8 secs
Computing kpt #: 313
total cpu time spent up to now is 206.5 secs
Computing kpt #: 314
total cpu time spent up to now is 207.2 secs
Computing kpt #: 315
total cpu time spent up to now is 208.0 secs
Computing kpt #: 316
total cpu time spent up to now is 208.7 secs
Computing kpt #: 317
total cpu time spent up to now is 209.6 secs
Computing kpt #: 318
total cpu time spent up to now is 210.3 secs
Computing kpt #: 319
total cpu time spent up to now is 211.3 secs
Computing kpt #: 320
total cpu time spent up to now is 212.3 secs
Computing kpt #: 321
total cpu time spent up to now is 213.4 secs
Computing kpt #: 322
total cpu time spent up to now is 214.6 secs
Computing kpt #: 323
total cpu time spent up to now is 215.4 secs
ethr = 2.08E-08, avg # of iterations = 26.3
total cpu time spent up to now is 215.4 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 4391 PWs) bands (ev):
-25.0013 -25.0013 -24.6895 -24.6895 -20.8163 -20.8163 -20.6242 -20.6242
-19.7908 -19.7908 -19.7889 -19.7889 -8.9819 -8.9819 -8.8065 -8.8065
-8.7718 -8.7718 -8.2148 -8.2148 -7.9557 -7.9557 -7.8134 -7.8134
-5.3634 -5.3634 -4.7073 -4.7073 -1.2528 -1.2528 -1.1274 -1.1274
-0.9279 -0.9279 -0.8815 -0.8815 -0.8327 -0.8327 -0.8264 -0.8264
-0.4656 -0.4656 -0.4568 -0.4568 -0.1617 -0.1617 -0.1196 -0.1196
6.4661 6.4661 10.2097 10.2097 10.2111 10.2111 11.3580 11.3580
11.6170 11.6170
k = 0.0000 0.0000 0.0164 ( 4395 PWs) bands (ev):
-25.0010 -25.0010 -24.6896 -24.6896 -20.8166 -20.8166 -20.6249 -20.6249
-19.7903 -19.7903 -19.7884 -19.7884 -8.9815 -8.9815 -8.8061 -8.8061
-8.7719 -8.7719 -8.2148 -8.2148 -7.9567 -7.9567 -7.8146 -7.8146
-5.3621 -5.3621 -4.7068 -4.7068 -1.2538 -1.2538 -1.1270 -1.1270
-0.9286 -0.9286 -0.8825 -0.8825 -0.8319 -0.8319 -0.8258 -0.8258
-0.4655 -0.4655 -0.4565 -0.4565 -0.1622 -0.1622 -0.1200 -0.1200
6.4678 6.4678 10.2098 10.2098 10.2116 10.2116 11.3580 11.3580
11.6172 11.6172
k = 0.0000 0.0000 0.0328 ( 4397 PWs) bands (ev):
-25.0004 -25.0004 -24.6901 -24.6901 -20.8174 -20.8174 -20.6270 -20.6270
-19.7888 -19.7888 -19.7869 -19.7869 -8.9802 -8.9802 -8.8047 -8.8047
-8.7721 -8.7721 -8.2148 -8.2148 -7.9597 -7.9597 -7.8179 -7.8179
-5.3581 -5.3581 -4.7052 -4.7052 -1.2568 -1.2568 -1.1260 -1.1260
-0.9307 -0.9307 -0.8854 -0.8854 -0.8299 -0.8299 -0.8232 -0.8232
-0.4659 -0.4659 -0.4548 -0.4548 -0.1644 -0.1644 -0.1203 -0.1203
6.4732 6.4732 10.2092 10.2092 10.2141 10.2141 11.3577 11.3577
11.6179 11.6179
k = 0.0000 0.0000 0.0492 ( 4393 PWs) bands (ev):
-24.9994 -24.9994 -24.6909 -24.6909 -20.8188 -20.8188 -20.6303 -20.6303
-19.7865 -19.7865 -19.7842 -19.7842 -8.9782 -8.9782 -8.8024 -8.8024
-8.7724 -8.7724 -8.2148 -8.2148 -7.9646 -7.9646 -7.8233 -7.8233
-5.3514 -5.3514 -4.7024 -4.7024 -1.2617 -1.2617 -1.1246 -1.1246
-0.9337 -0.9337 -0.8902 -0.8902 -0.8279 -0.8279 -0.8178 -0.8178
-0.4679 -0.4679 -0.4509 -0.4509 -0.1704 -0.1704 -0.1184 -0.1184
6.4821 6.4821 10.2078 10.2078 10.2185 10.2185 11.3568 11.3568
11.6192 11.6192
k = 0.0000 0.0000 0.0656 ( 4389 PWs) bands (ev):
-24.9980 -24.9980 -24.6920 -24.6920 -20.8206 -20.8206 -20.6350 -20.6350
-19.7833 -19.7833 -19.7805 -19.7805 -8.9755 -8.9755 -8.7993 -8.7993
-8.7728 -8.7728 -8.2148 -8.2148 -7.9714 -7.9714 -7.8309 -7.8309
-5.3421 -5.3421 -4.6986 -4.6986 -1.2683 -1.2683 -1.1232 -1.1232
-0.9374 -0.9374 -0.8966 -0.8966 -0.8258 -0.8258 -0.8098 -0.8098
-0.4715 -0.4715 -0.4448 -0.4448 -0.1819 -0.1819 -0.1128 -0.1128
6.4945 6.4945 10.2059 10.2059 10.2247 10.2247 11.3549 11.3549
11.6217 11.6217
k = 0.0000 0.0000 0.0820 ( 4405 PWs) bands (ev):
-24.9962 -24.9962 -24.6934 -24.6934 -20.8230 -20.8230 -20.6410 -20.6410
-19.7793 -19.7793 -19.7757 -19.7757 -8.9720 -8.9720 -8.7952 -8.7952
-8.7732 -8.7732 -8.2148 -8.2148 -7.9801 -7.9801 -7.8404 -7.8404
-5.3302 -5.3302 -4.6938 -4.6938 -1.2765 -1.2765 -1.1226 -1.1226
-0.9414 -0.9414 -0.9038 -0.9038 -0.8233 -0.8233 -0.7999 -0.7999
-0.4767 -0.4767 -0.4367 -0.4367 -0.1986 -0.1986 -0.1036 -0.1036
6.5104 6.5104 10.2034 10.2034 10.2328 10.2328 11.3512 11.3512
11.6256 11.6256
k = 0.0000 0.0000 0.0984 ( 4405 PWs) bands (ev):
-24.9940 -24.9940 -24.6951 -24.6951 -20.8258 -20.8258 -20.6481 -20.6481
-19.7745 -19.7745 -19.7699 -19.7699 -8.9679 -8.9679 -8.7904 -8.7904
-8.7736 -8.7736 -8.2149 -8.2149 -7.9907 -7.9907 -7.8517 -7.8517
-5.3157 -5.3157 -4.6879 -4.6879 -1.2862 -1.2862 -1.1235 -1.1235
-0.9457 -0.9457 -0.9106 -0.9106 -0.8201 -0.8201 -0.7886 -0.7886
-0.4834 -0.4834 -0.4270 -0.4270 -0.2199 -0.2199 -0.0914 -0.0914
6.5297 6.5297 10.2004 10.2004 10.2426 10.2426 11.3449 11.3449
11.6315 11.6315
k = 0.0000 0.0000 0.1148 ( 4405 PWs) bands (ev):
-24.9915 -24.9915 -24.6970 -24.6970 -20.8292 -20.8292 -20.6564 -20.6564
-19.7689 -19.7689 -19.7632 -19.7632 -8.9633 -8.9633 -8.7853 -8.7853
-8.7734 -8.7734 -8.2151 -8.2151 -8.0030 -8.0030 -7.8647 -7.8647
-5.2988 -5.2988 -4.6811 -4.6811 -1.2970 -1.2970 -1.1268 -1.1268
-0.9502 -0.9502 -0.9161 -0.9161 -0.8164 -0.8164 -0.7762 -0.7762
-0.4917 -0.4917 -0.4156 -0.4156 -0.2451 -0.2451 -0.0770 -0.0770
6.5524 6.5524 10.1968 10.1968 10.2542 10.2542 11.3354 11.3354
11.6399 11.6399
k = 0.0000 0.0000 0.1312 ( 4403 PWs) bands (ev):
-24.9886 -24.9886 -24.6992 -24.6992 -20.8329 -20.8329 -20.6656 -20.6656
-19.7626 -19.7626 -19.7557 -19.7557 -8.9581 -8.9581 -8.7814 -8.7814
-8.7711 -8.7711 -8.2156 -8.2156 -8.0170 -8.0170 -7.8791 -7.8791
-5.2794 -5.2794 -4.6733 -4.6733 -1.3089 -1.3089 -1.1332 -1.1332
-0.9549 -0.9549 -0.9192 -0.9192 -0.8121 -0.8121 -0.7630 -0.7630
-0.5019 -0.5019 -0.4027 -0.4027 -0.2735 -0.2735 -0.0607 -0.0607
6.5783 6.5783 10.1927 10.1927 10.2677 10.2677 11.3217 11.3217
11.6511 11.6511
k = 0.0000 0.0000 0.1476 ( 4401 PWs) bands (ev):
-24.9853 -24.9853 -24.7017 -24.7017 -20.8371 -20.8371 -20.6759 -20.6759
-19.7555 -19.7555 -19.7475 -19.7475 -8.9526 -8.9526 -8.7803 -8.7803
-8.7651 -8.7651 -8.2163 -8.2163 -8.0324 -8.0324 -7.8948 -7.8948
-5.2577 -5.2577 -4.6647 -4.6647 -1.3217 -1.3217 -1.1433 -1.1433
-0.9596 -0.9596 -0.9196 -0.9196 -0.8072 -0.8072 -0.7493 -0.7493
-0.5143 -0.5143 -0.3882 -0.3882 -0.3042 -0.3042 -0.0429 -0.0429
6.6074 6.6074 10.1881 10.1881 10.2828 10.2828 11.3034 11.3034
11.6653 11.6653
k = 0.0000 0.0000 0.1640 ( 4405 PWs) bands (ev):
-24.9817 -24.9817 -24.7044 -24.7044 -20.8416 -20.8416 -20.6870 -20.6870
-19.7478 -19.7478 -19.7386 -19.7386 -8.9468 -8.9468 -8.7808 -8.7808
-8.7566 -8.7566 -8.2176 -8.2176 -8.0492 -8.0492 -7.9116 -7.9116
-5.2336 -5.2336 -4.6552 -4.6552 -1.3351 -1.3351 -1.1571 -1.1571
-0.9644 -0.9644 -0.9173 -0.9173 -0.8019 -0.8019 -0.7351 -0.7351
-0.5295 -0.5295 -0.3731 -0.3731 -0.3354 -0.3354 -0.0240 -0.0240
6.6397 6.6397 10.1830 10.1830 10.2998 10.2998 11.2801 11.2801
11.6825 11.6825
k = 0.0000 0.0000 0.1804 ( 4411 PWs) bands (ev):
-24.9778 -24.9778 -24.7074 -24.7074 -20.8465 -20.8465 -20.6989 -20.6989
-19.7394 -19.7394 -19.7292 -19.7292 -8.9407 -8.9407 -8.7817 -8.7817
-8.7466 -8.7466 -8.2196 -8.2196 -8.0668 -8.0668 -7.9293 -7.9293
-5.2075 -5.2075 -4.6450 -4.6450 -1.3491 -1.3491 -1.1741 -1.1741
-0.9691 -0.9691 -0.9127 -0.9127 -0.7961 -0.7961 -0.7208 -0.7208
-0.5481 -0.5481 -0.3763 -0.3763 -0.3472 -0.3472 -0.0041 -0.0041
6.6749 6.6749 10.1775 10.1775 10.3185 10.3185 11.2517 11.2517
11.7026 11.7026
k = 0.0000 0.0000 0.1968 ( 4411 PWs) bands (ev):
-24.9737 -24.9737 -24.7105 -24.7105 -20.8516 -20.8516 -20.7114 -20.7114
-19.7305 -19.7305 -19.7193 -19.7193 -8.9345 -8.9345 -8.7829 -8.7829
-8.7355 -8.7355 -8.2227 -8.2227 -8.0850 -8.0850 -7.9477 -7.9477
-5.1792 -5.1792 -4.6341 -4.6341 -1.3635 -1.3635 -1.1937 -1.1937
-0.9737 -0.9737 -0.9066 -0.9066 -0.7899 -0.7899 -0.7063 -0.7063
-0.5712 -0.5712 -0.4066 -0.4066 -0.3292 -0.3292 0.0164 0.0164
6.7131 6.7131 10.1716 10.1716 10.3390 10.3390 11.2181 11.2181
11.7251 11.7251
k = 0.0000 0.0000 0.2132 ( 4399 PWs) bands (ev):
-24.9692 -24.9692 -24.7138 -24.7138 -20.8571 -20.8571 -20.7245 -20.7245
-19.7210 -19.7210 -19.7090 -19.7090 -8.9282 -8.9282 -8.7842 -8.7842
-8.7234 -8.7234 -8.2275 -8.2275 -8.1028 -8.1028 -7.9666 -7.9666
-5.1490 -5.1490 -4.6224 -4.6224 -1.3782 -1.3782 -1.2155 -1.2155
-0.9782 -0.9782 -0.8995 -0.8995 -0.7833 -0.7833 -0.6917 -0.6917
-0.5996 -0.5996 -0.4373 -0.4373 -0.3068 -0.3068 0.0374 0.0374
6.7541 6.7541 10.1652 10.1652 10.3612 10.3612 11.1792 11.1792
11.7499 11.7499
k = 0.0000 0.0000 0.2296 ( 4397 PWs) bands (ev):
-24.9646 -24.9646 -24.7172 -24.7172 -20.8627 -20.8627 -20.7382 -20.7382
-19.7111 -19.7111 -19.6984 -19.6984 -8.9220 -8.9220 -8.7855 -8.7855
-8.7103 -8.7103 -8.2349 -8.2349 -8.1196 -8.1196 -7.9857 -7.9857
-5.1170 -5.1170 -4.6103 -4.6103 -1.3930 -1.3930 -1.2388 -1.2388
-0.9828 -0.9828 -0.8920 -0.8920 -0.7764 -0.7764 -0.6775 -0.6775
-0.6339 -0.6339 -0.4657 -0.4657 -0.2819 -0.2819 0.0586 0.0586
6.7978 6.7978 10.1585 10.1585 10.3851 10.3851 11.1353 11.1353
11.7765 11.7765
k = 0.0000 0.0000 0.2460 ( 4403 PWs) bands (ev):
-24.9597 -24.9597 -24.7208 -24.7208 -20.8686 -20.8686 -20.7522 -20.7522
-19.7007 -19.7007 -19.6876 -19.6876 -8.9160 -8.9160 -8.7868 -8.7868
-8.6963 -8.6963 -8.2455 -8.2455 -8.1341 -8.1341 -8.0051 -8.0051
-5.0832 -5.0832 -4.5976 -4.5976 -1.4079 -1.4079 -1.2632 -1.2632
-0.9873 -0.9873 -0.8846 -0.8846 -0.7692 -0.7692 -0.6763 -0.6763
-0.6610 -0.6610 -0.4913 -0.4913 -0.2549 -0.2549 0.0800 0.0800
6.8441 6.8441 10.1515 10.1515 10.4108 10.4108 11.0864 11.0864
11.8046 11.8046
k = 0.0000 0.0000 0.2624 ( 4413 PWs) bands (ev):
-24.9547 -24.9547 -24.7245 -24.7245 -20.8745 -20.8745 -20.7666 -20.7666
-19.6900 -19.6900 -19.6766 -19.6766 -8.9101 -8.9101 -8.7880 -8.7880
-8.6816 -8.6816 -8.2602 -8.2602 -8.1458 -8.1458 -8.0245 -8.0245
-5.0480 -5.0480 -4.5844 -4.5844 -1.4227 -1.4227 -1.2883 -1.2883
-0.9918 -0.9918 -0.8776 -0.8776 -0.7618 -0.7618 -0.7203 -0.7203
-0.6481 -0.6481 -0.5147 -0.5147 -0.2258 -0.2258 0.1012 0.1012
6.8929 6.8929 10.1442 10.1442 10.4382 10.4382 11.0327 11.0327
11.8340 11.8340
k = 0.0000 0.0000 0.2788 ( 4409 PWs) bands (ev):
-24.9494 -24.9494 -24.7282 -24.7282 -20.8806 -20.8806 -20.7811 -20.7811
-19.6791 -19.6791 -19.6655 -19.6655 -8.9045 -8.9045 -8.7892 -8.7892
-8.6662 -8.6662 -8.2786 -8.2786 -8.1544 -8.1544 -8.0436 -8.0436
-5.0114 -5.0114 -4.5709 -4.5709 -1.4375 -1.4375 -1.3137 -1.3137
-0.9965 -0.9965 -0.8715 -0.8715 -0.7691 -0.7691 -0.7541 -0.7541
-0.6344 -0.6344 -0.5363 -0.5363 -0.1948 -0.1948 0.1224 0.1224
6.9441 6.9441 10.1367 10.1367 10.4673 10.4673 10.9746 10.9746
11.8643 11.8643
k = 0.0000 0.0000 0.2952 ( 4405 PWs) bands (ev):
-24.9441 -24.9441 -24.7321 -24.7321 -20.8868 -20.8868 -20.7959 -20.7959
-19.6678 -19.6678 -19.6544 -19.6544 -8.8992 -8.8992 -8.7903 -8.7903
-8.6502 -8.6502 -8.3003 -8.3003 -8.1607 -8.1607 -8.0623 -8.0623
-4.9735 -4.9735 -4.5570 -4.5570 -1.4521 -1.4521 -1.3393 -1.3393
-1.0012 -1.0012 -0.8671 -0.8671 -0.8197 -0.8197 -0.7463 -0.7463
-0.6210 -0.6210 -0.5569 -0.5569 -0.1622 -0.1622 0.1432 0.1432
6.9977 6.9977 10.1289 10.1289 10.4981 10.4981 10.9122 10.9122
11.8953 11.8953
k = 0.0000 0.0000 0.3116 ( 4407 PWs) bands (ev):
-24.9387 -24.9387 -24.7359 -24.7359 -20.8929 -20.8929 -20.8106 -20.8106
-19.6565 -19.6565 -19.6434 -19.6434 -8.8943 -8.8943 -8.7912 -8.7912
-8.6338 -8.6338 -8.3242 -8.3242 -8.1654 -8.1654 -8.0804 -8.0804
-4.9346 -4.9346 -4.5429 -4.5429 -1.4665 -1.4665 -1.3647 -1.3647
-1.0062 -1.0062 -0.8814 -0.8814 -0.8542 -0.8542 -0.7384 -0.7384
-0.6084 -0.6084 -0.5765 -0.5765 -0.1283 -0.1283 0.1637 0.1637
7.0534 7.0534 10.1211 10.1211 10.5305 10.5305 10.8459 10.8459
11.9266 11.9266
k = 0.0000 0.0000 0.3280 ( 4409 PWs) bands (ev):
-24.9332 -24.9332 -24.7398 -24.7398 -20.8991 -20.8991 -20.8254 -20.8254
-19.6451 -19.6451 -19.6325 -19.6325 -8.8898 -8.8898 -8.7920 -8.7920
-8.6170 -8.6170 -8.3495 -8.3495 -8.1695 -8.1695 -8.0974 -8.0974
-4.8949 -4.8949 -4.5286 -4.5286 -1.4806 -1.4806 -1.3898 -1.3898
-1.0120 -1.0120 -0.9321 -0.9321 -0.8538 -0.8538 -0.7304 -0.7304
-0.6030 -0.6030 -0.5890 -0.5890 -0.0933 -0.0933 0.1836 0.1836
7.1111 7.1111 10.1131 10.1131 10.5647 10.5647 10.7760 10.7760
11.9581 11.9581
k = 0.0000 0.0000 0.3444 ( 4405 PWs) bands (ev):
-24.9277 -24.9277 -24.7437 -24.7437 -20.9052 -20.9052 -20.8400 -20.8400
-19.6336 -19.6336 -19.6218 -19.6218 -8.8858 -8.8858 -8.7925 -8.7925
-8.6000 -8.6000 -8.3755 -8.3755 -8.1740 -8.1740 -8.1127 -8.1127
-4.8545 -4.8545 -4.5142 -4.5142 -1.4945 -1.4945 -1.4144 -1.4144
-1.0223 -1.0223 -0.9823 -0.9823 -0.8509 -0.8509 -0.7224 -0.7224
-0.6193 -0.6193 -0.5803 -0.5803 -0.0575 -0.0575 0.2031 0.2031
7.1708 7.1708 10.1051 10.1051 10.6004 10.6004 10.7029 10.7029
11.9896 11.9896
k = 0.0000 0.0000 0.3608 ( 4409 PWs) bands (ev):
-24.9222 -24.9222 -24.7475 -24.7475 -20.9112 -20.9112 -20.8544 -20.8544
-19.6222 -19.6222 -19.6113 -19.6113 -8.8824 -8.8824 -8.7929 -8.7929
-8.5830 -8.5830 -8.4018 -8.4018 -8.1798 -8.1798 -8.1255 -8.1255
-4.8137 -4.8137 -4.4998 -4.4998 -1.5081 -1.5081 -1.4383 -1.4383
-1.0567 -1.0567 -1.0091 -1.0091 -0.8485 -0.8485 -0.7144 -0.7144
-0.6388 -0.6388 -0.5687 -0.5687 -0.0213 -0.0213 0.2218 0.2218
7.2324 7.2324 10.0972 10.0972 10.6270 10.6270 10.6378 10.6378
12.0208 12.0208
k = 0.0000 0.0000 0.3772 ( 4421 PWs) bands (ev):
-24.9167 -24.9167 -24.7513 -24.7513 -20.9171 -20.9171 -20.8686 -20.8686
-19.6110 -19.6110 -19.6011 -19.6011 -8.8796 -8.8796 -8.7930 -8.7930
-8.5661 -8.5661 -8.4279 -8.4279 -8.1879 -8.1879 -8.1350 -8.1350
-4.7727 -4.7727 -4.4854 -4.4854 -1.5214 -1.5214 -1.4613 -1.4613
-1.1096 -1.1096 -1.0173 -1.0173 -0.8466 -0.8466 -0.7065 -0.7065
-0.6587 -0.6587 -0.5574 -0.5574 0.0150 0.0150 0.2399 0.2399
7.2956 7.2956 10.0893 10.0893 10.5486 10.5486 10.6768 10.6768
12.0515 12.0515
k = 0.0000 0.0000 0.3936 ( 4419 PWs) bands (ev):
-24.9113 -24.9113 -24.7550 -24.7550 -20.9228 -20.9228 -20.8824 -20.8824
-19.5999 -19.5999 -19.5912 -19.5912 -8.8774 -8.8774 -8.7930 -8.7930
-8.5496 -8.5496 -8.4533 -8.4533 -8.1985 -8.1985 -8.1409 -8.1409
-4.7317 -4.7317 -4.4712 -4.4712 -1.5344 -1.5344 -1.4833 -1.4833
-1.1650 -1.1650 -1.0225 -1.0225 -0.8451 -0.8451 -0.6987 -0.6987
-0.6787 -0.6787 -0.5464 -0.5464 0.0511 0.0511 0.2573 0.2573
7.3603 7.3603 10.0815 10.0815 10.4682 10.4682 10.7173 10.7173
12.0817 12.0817
k = 0.0000 0.0000 0.4100 ( 4431 PWs) bands (ev):
-24.9061 -24.9061 -24.7586 -24.7586 -20.9284 -20.9284 -20.8957 -20.8957
-19.5891 -19.5891 -19.5817 -19.5817 -8.8758 -8.8758 -8.7927 -8.7927
-8.5339 -8.5339 -8.4776 -8.4776 -8.2107 -8.2107 -8.1443 -8.1443
-4.6910 -4.6910 -4.4571 -4.4571 -1.5474 -1.5474 -1.5039 -1.5039
-1.2202 -1.2202 -1.0269 -1.0269 -0.8442 -0.8442 -0.6987 -0.6987
-0.6910 -0.6910 -0.5360 -0.5360 0.0868 0.0868 0.2738 0.2738
7.4264 7.4264 10.0739 10.0739 10.3862 10.3862 10.7594 10.7594
12.1111 12.1111
k = 0.0000 0.0000 0.4264 ( 4427 PWs) bands (ev):
-24.9009 -24.9009 -24.7620 -24.7620 -20.9337 -20.9337 -20.9086 -20.9086
-19.5787 -19.5787 -19.5726 -19.5726 -8.8747 -8.8747 -8.7923 -8.7923
-8.5213 -8.5213 -8.4981 -8.4981 -8.2236 -8.2236 -8.1460 -8.1460
-4.6509 -4.6509 -4.4434 -4.4434 -1.5604 -1.5604 -1.5229 -1.5229
-1.2744 -1.2744 -1.0309 -1.0309 -0.8437 -0.8437 -0.7184 -0.7184
-0.6837 -0.6837 -0.5261 -0.5261 0.1216 0.1216 0.2895 0.2895
7.4937 7.4937 10.0666 10.0666 10.3030 10.3030 10.8030 10.8030
12.1396 12.1396
k = 0.0000 0.0000 0.4428 ( 4427 PWs) bands (ev):
-24.8960 -24.8960 -24.7653 -24.7653 -20.9389 -20.9389 -20.9209 -20.9209
-19.5686 -19.5686 -19.5640 -19.5640 -8.8742 -8.8742 -8.7919 -8.7919
-8.5290 -8.5290 -8.4977 -8.4977 -8.2365 -8.2365 -8.1466 -8.1466
-4.6116 -4.6116 -4.4300 -4.4300 -1.5737 -1.5737 -1.5399 -1.5399
-1.3271 -1.3271 -1.0347 -1.0347 -0.8435 -0.8435 -0.7378 -0.7378
-0.6766 -0.6766 -0.5168 -0.5168 0.1553 0.1553 0.3043 0.3043
7.5619 7.5619 10.0595 10.0595 10.2190 10.2190 10.8480 10.8480
12.1670 12.1670
k = 0.0000 0.0000 0.4592 ( 4431 PWs) bands (ev):
-24.8913 -24.8913 -24.7685 -24.7685 -20.9438 -20.9438 -20.9325 -20.9325
-19.5591 -19.5591 -19.5558 -19.5558 -8.8742 -8.8742 -8.7916 -8.7916
-8.5482 -8.5482 -8.4851 -8.4851 -8.2489 -8.2489 -8.1466 -8.1466
-4.5734 -4.5734 -4.4170 -4.4170 -1.5874 -1.5874 -1.5547 -1.5547
-1.3778 -1.3778 -1.0382 -1.0382 -0.8436 -0.8436 -0.7568 -0.7568
-0.6699 -0.6699 -0.5082 -0.5082 0.1876 0.1876 0.3182 0.3182
7.6307 7.6307 10.0527 10.0527 10.1347 10.1347 10.8945 10.8945
12.1932 12.1932
k = 0.0000 0.0000 0.4756 ( 4423 PWs) bands (ev):
-24.8868 -24.8868 -24.7715 -24.7715 -20.9486 -20.9486 -20.9431 -20.9431
-19.5500 -19.5500 -19.5482 -19.5482 -8.8746 -8.8746 -8.7914 -8.7914
-8.5671 -8.5671 -8.4721 -8.4721 -8.2605 -8.2605 -8.1462 -8.1462
-4.5367 -4.5367 -4.4046 -4.4046 -1.6013 -1.6013 -1.5674 -1.5674
-1.4263 -1.4263 -1.0414 -1.0414 -0.8439 -0.8439 -0.7752 -0.7752
-0.6635 -0.6635 -0.5001 -0.5001 0.2183 0.2183 0.3311 0.3311
7.7000 7.7000 10.0462 10.0462 10.0506 10.0506 10.9424 10.9424
12.2181 12.2181
k = 0.0000 0.0000 0.4920 ( 4431 PWs) bands (ev):
-24.8825 -24.8825 -24.7742 -24.7742 -20.9551 -20.9551 -20.9511 -20.9511
-19.5415 -19.5415 -19.5411 -19.5411 -8.8754 -8.8754 -8.7913 -8.7913
-8.5844 -8.5844 -8.4600 -8.4600 -8.2711 -8.2711 -8.1456 -8.1456
-4.5018 -4.5018 -4.3929 -4.3929 -1.6152 -1.6152 -1.5782 -1.5782
-1.4721 -1.4721 -1.0445 -1.0445 -0.8444 -0.8444 -0.7928 -0.7928
-0.6575 -0.6575 -0.4927 -0.4927 0.2471 0.2471 0.3430 0.3430
7.7691 7.7691 9.9673 9.9673 10.0403 10.0403 10.9916 10.9916
12.1981 12.1981
k = 0.0000 0.0000 0.5084 ( 4427 PWs) bands (ev):
-24.8786 -24.8786 -24.7768 -24.7768 -20.9639 -20.9639 -20.9556 -20.9556
-19.5347 -19.5347 -19.5336 -19.5336 -8.8765 -8.8765 -8.7915 -8.7915
-8.5999 -8.5999 -8.4490 -8.4490 -8.2805 -8.2805 -8.1449 -8.1449
-4.4689 -4.4689 -4.3818 -4.3818 -1.6284 -1.6284 -1.5875 -1.5875
-1.5148 -1.5148 -1.0473 -1.0473 -0.8450 -0.8450 -0.8093 -0.8093
-0.6519 -0.6519 -0.4859 -0.4859 0.2738 0.2738 0.3539 0.3539
7.8378 7.8378 9.8854 9.8854 10.0348 10.0348 11.0421 11.0421
12.1340 12.1340
k = 0.0000 0.0000 0.5248 ( 4431 PWs) bands (ev):
-24.8751 -24.8751 -24.7791 -24.7791 -20.9724 -20.9724 -20.9593 -20.9593
-19.5289 -19.5289 -19.5265 -19.5265 -8.8779 -8.8779 -8.7920 -8.7920
-8.6134 -8.6134 -8.4394 -8.4394 -8.2887 -8.2887 -8.1441 -8.1441
-4.4385 -4.4385 -4.3714 -4.3714 -1.6408 -1.6408 -1.5957 -1.5957
-1.5540 -1.5540 -1.0498 -1.0498 -0.8456 -0.8456 -0.8248 -0.8248
-0.6469 -0.6469 -0.4799 -0.4799 0.2982 0.2982 0.3638 0.3638
7.9052 7.9052 9.8057 9.8057 10.0297 10.0297 11.0938 11.0938
12.0700 12.0700
k = 0.0000 0.0000 0.5412 ( 4431 PWs) bands (ev):
-24.8718 -24.8718 -24.7812 -24.7812 -20.9801 -20.9801 -20.9625 -20.9625
-19.5236 -19.5236 -19.5200 -19.5200 -8.8794 -8.8794 -8.7928 -8.7928
-8.6250 -8.6250 -8.4312 -8.4312 -8.2955 -8.2955 -8.1433 -8.1433
-4.4109 -4.4109 -4.3619 -4.3619 -1.6521 -1.6521 -1.6034 -1.6034
-1.5889 -1.5889 -1.0520 -1.0520 -0.8464 -0.8464 -0.8388 -0.8388
-0.6423 -0.6423 -0.4745 -0.4745 0.3201 0.3201 0.3727 0.3727
7.9707 7.9707 9.7291 9.7291 10.0252 10.0252 11.1466 11.1466
12.0062 12.0062
k = 0.0000 0.0000 0.5576 ( 4435 PWs) bands (ev):
-24.8690 -24.8690 -24.7830 -24.7830 -20.9868 -20.9868 -20.9652 -20.9652
-19.5191 -19.5191 -19.5144 -19.5144 -8.8809 -8.8809 -8.7937 -8.7937
-8.6346 -8.6346 -8.4246 -8.4246 -8.3009 -8.3009 -8.1426 -8.1426
-4.3867 -4.3867 -4.3530 -4.3530 -1.6621 -1.6621 -1.6231 -1.6231
-1.6067 -1.6067 -1.0540 -1.0540 -0.8520 -0.8520 -0.8465 -0.8465
-0.6383 -0.6383 -0.4698 -0.4698 0.3391 0.3391 0.3806 0.3806
8.0332 8.0332 9.6568 9.6568 10.0212 10.0212 11.2003 11.2003
11.9428 11.9428
k = 0.0000 0.0000 0.5740 ( 4423 PWs) bands (ev):
-24.8665 -24.8665 -24.7846 -24.7846 -20.9926 -20.9926 -20.9676 -20.9676
-19.5152 -19.5152 -19.5095 -19.5095 -8.8825 -8.8825 -8.7948 -8.7948
-8.6424 -8.6424 -8.4194 -8.4194 -8.3050 -8.3050 -8.1418 -8.1418
-4.3665 -4.3665 -4.3444 -4.3444 -1.6706 -1.6706 -1.6498 -1.6498
-1.6123 -1.6123 -1.0557 -1.0557 -0.8628 -0.8628 -0.8473 -0.8473
-0.6349 -0.6349 -0.4658 -0.4658 0.3553 0.3553 0.3876 0.3876
8.0913 8.0913 9.5902 9.5902 10.0177 10.0177 11.2549 11.2549
11.8800 11.8800
k = 0.0000 0.0000 0.5904 ( 4417 PWs) bands (ev):
-24.8645 -24.8645 -24.7859 -24.7859 -20.9973 -20.9973 -20.9695 -20.9695
-19.5120 -19.5120 -19.5055 -19.5055 -8.8839 -8.8839 -8.7958 -8.7958
-8.6485 -8.6485 -8.4155 -8.4155 -8.3078 -8.3078 -8.1412 -8.1412
-4.3518 -4.3518 -4.3351 -4.3351 -1.6778 -1.6778 -1.6725 -1.6725
-1.6164 -1.6164 -1.0571 -1.0571 -0.8719 -0.8719 -0.8478 -0.8478
-0.6321 -0.6321 -0.4626 -0.4626 0.3683 0.3683 0.3937 0.3937
8.1435 8.1435 9.5310 9.5310 10.0149 10.0149 11.3100 11.3100
11.8181 11.8181
k = 0.0000 0.0000 0.6068 ( 4409 PWs) bands (ev):
-24.8629 -24.8629 -24.7869 -24.7869 -21.0011 -21.0011 -20.9710 -20.9710
-19.5094 -19.5094 -19.5023 -19.5023 -8.8851 -8.8851 -8.7968 -8.7968
-8.6530 -8.6530 -8.4129 -8.4129 -8.3097 -8.3097 -8.1407 -8.1407
-4.3430 -4.3430 -4.3248 -4.3248 -1.6905 -1.6905 -1.6833 -1.6833
-1.6196 -1.6196 -1.0582 -1.0582 -0.8792 -0.8792 -0.8483 -0.8483
-0.6298 -0.6298 -0.4600 -0.4600 0.3781 0.3781 0.3990 0.3990
8.1877 8.1877 9.4813 9.4813 10.0127 10.0127 11.3649 11.3649
11.7579 11.7579
k = 0.0000 0.0000 0.6232 ( 4414 PWs) bands (ev):
-24.8618 -24.8618 -24.7876 -24.7876 -21.0038 -21.0038 -20.9721 -20.9721
-19.5076 -19.5076 -19.5001 -19.5001 -8.8861 -8.8861 -8.7976 -8.7976
-8.6562 -8.6562 -8.4112 -8.4112 -8.3109 -8.3109 -8.1403 -8.1403
-4.3381 -4.3381 -4.3160 -4.3160 -1.7034 -1.7034 -1.6873 -1.6873
-1.6218 -1.6218 -1.0590 -1.0590 -0.8845 -0.8845 -0.8486 -0.8486
-0.6282 -0.6282 -0.4582 -0.4582 0.3846 0.3846 0.4032 0.4032
8.2216 8.2216 9.4434 9.4434 10.0111 10.0111 11.4180 11.4180
11.7009 11.7009
k = 0.0000 0.0000 0.6396 ( 4418 PWs) bands (ev):
-24.8611 -24.8611 -24.7881 -24.7881 -21.0054 -21.0054 -20.9728 -20.9728
-19.5066 -19.5066 -19.4987 -19.4987 -8.8867 -8.8867 -8.7981 -8.7981
-8.6580 -8.6580 -8.4103 -8.4103 -8.3115 -8.3115 -8.1401 -8.1401
-4.3354 -4.3354 -4.3103 -4.3103 -1.7113 -1.7113 -1.6898 -1.6898
-1.6231 -1.6231 -1.0595 -1.0595 -0.8878 -0.8878 -0.8488 -0.8488
-0.6273 -0.6273 -0.4571 -0.4571 0.3883 0.3883 0.4060 0.4060
8.2430 8.2430 9.4196 9.4196 10.0101 10.0101 11.4645 11.4645
11.6521 11.6521
k = 0.0000 0.0000 0.6560 ( 4410 PWs) bands (ev):
-24.8609 -24.8609 -24.7882 -24.7882 -21.0059 -21.0059 -20.9730 -20.9730
-19.5062 -19.5062 -19.4983 -19.4983 -8.8869 -8.8869 -8.7982 -8.7982
-8.6586 -8.6586 -8.4099 -8.4099 -8.3117 -8.3117 -8.1400 -8.1400
-4.3346 -4.3346 -4.3084 -4.3084 -1.7139 -1.7139 -1.6906 -1.6906
-1.6236 -1.6236 -1.0596 -1.0596 -0.8888 -0.8888 -0.8488 -0.8488
-0.6270 -0.6270 -0.4567 -0.4567 0.3895 0.3895 0.4070 0.4070
8.2504 8.2504 9.4114 9.4114 10.0098 10.0098 11.4868 11.4868
11.6291 11.6291
k = 0.0000 0.0000 0.6560 ( 4410 PWs) bands (ev):
-24.8609 -24.8609 -24.7882 -24.7882 -21.0059 -21.0059 -20.9730 -20.9730
-19.5062 -19.5062 -19.4983 -19.4983 -8.8869 -8.8869 -8.7982 -8.7982
-8.6586 -8.6586 -8.4099 -8.4099 -8.3117 -8.3117 -8.1400 -8.1400
-4.3346 -4.3346 -4.3084 -4.3084 -1.7139 -1.7139 -1.6906 -1.6906
-1.6236 -1.6236 -1.0596 -1.0596 -0.8888 -0.8888 -0.8488 -0.8488
-0.6270 -0.6270 -0.4567 -0.4567 0.3895 0.3895 0.4070 0.4070
8.2504 8.2504 9.4114 9.4114 10.0098 10.0098 11.4868 11.4868
11.6291 11.6291
k =-0.0124 0.0105 0.6560 ( 4412 PWs) bands (ev):
-24.8607 -24.8607 -24.7885 -24.7885 -21.0057 -21.0057 -20.9725 -20.9725
-19.5067 -19.5067 -19.4986 -19.4986 -8.8869 -8.8869 -8.7975 -8.7975
-8.6585 -8.6585 -8.4098 -8.4098 -8.3120 -8.3120 -8.1399 -8.1399
-4.3364 -4.3364 -4.3092 -4.3092 -1.7131 -1.7131 -1.6881 -1.6881
-1.6232 -1.6232 -1.0595 -1.0595 -0.8887 -0.8887 -0.8479 -0.8479
-0.6269 -0.6269 -0.4569 -0.4569 0.3885 0.3885 0.4058 0.4058
8.2515 8.2515 9.4126 9.4126 10.0102 10.0102 11.4863 11.4863
11.6287 11.6287
k =-0.0248 0.0210 0.6560 ( 4416 PWs) bands (ev):
-24.8603 -24.8603 -24.7891 -24.7891 -21.0050 -21.0050 -20.9709 -20.9709
-19.5080 -19.5080 -19.4998 -19.4998 -8.8871 -8.8871 -8.7956 -8.7956
-8.6581 -8.6581 -8.4093 -8.4093 -8.3128 -8.3128 -8.1397 -8.1397
-4.3420 -4.3420 -4.3115 -4.3115 -1.7106 -1.7106 -1.6810 -1.6810
-1.6221 -1.6221 -1.0592 -1.0592 -0.8885 -0.8885 -0.8452 -0.8452
-0.6267 -0.6267 -0.4576 -0.4576 0.3854 0.3854 0.4025 0.4025
8.2549 8.2549 9.4164 9.4164 10.0115 10.0115 11.4847 11.4847
11.6277 11.6277
k =-0.0371 0.0315 0.6560 ( 4414 PWs) bands (ev):
-24.8596 -24.8596 -24.7902 -24.7902 -21.0039 -21.0039 -20.9683 -20.9683
-19.5103 -19.5103 -19.5016 -19.5016 -8.8875 -8.8875 -8.7923 -8.7923
-8.6573 -8.6573 -8.4086 -8.4086 -8.3141 -8.3141 -8.1393 -8.1393
-4.3515 -4.3515 -4.3151 -4.3151 -1.7065 -1.7065 -1.6695 -1.6695
-1.6200 -1.6200 -1.0586 -1.0586 -0.8880 -0.8880 -0.8407 -0.8407
-0.6265 -0.6265 -0.4586 -0.4586 0.3796 0.3796 0.3976 0.3976
8.2605 8.2605 9.4226 9.4226 10.0135 10.0135 11.4821 11.4821
11.6261 11.6261
k =-0.0495 0.0421 0.6560 ( 4412 PWs) bands (ev):
-24.8586 -24.8586 -24.7918 -24.7918 -21.0023 -21.0023 -20.9647 -20.9647
-19.5134 -19.5134 -19.5043 -19.5043 -8.8881 -8.8881 -8.7879 -8.7879
-8.6560 -8.6560 -8.4081 -8.4081 -8.3154 -8.3154 -8.1388 -8.1388
-4.3648 -4.3648 -4.3198 -4.3198 -1.7007 -1.7007 -1.6547 -1.6547
-1.6158 -1.6158 -1.0578 -1.0578 -0.8875 -0.8875 -0.8345 -0.8345
-0.6261 -0.6261 -0.4600 -0.4600 0.3706 0.3706 0.3918 0.3918
8.2684 8.2684 9.4312 9.4312 10.0164 10.0164 11.4786 11.4786
11.6238 11.6238
k =-0.0619 0.0526 0.6560 ( 4418 PWs) bands (ev):
-24.8573 -24.8573 -24.7937 -24.7937 -21.0003 -21.0003 -20.9601 -20.9601
-19.5175 -19.5175 -19.5076 -19.5076 -8.8889 -8.8889 -8.7825 -8.7825
-8.6540 -8.6540 -8.4080 -8.4080 -8.3165 -8.3165 -8.1382 -8.1382
-4.3818 -4.3818 -4.3255 -4.3255 -1.6933 -1.6933 -1.6397 -1.6397
-1.6069 -1.6069 -1.0568 -1.0568 -0.8868 -0.8868 -0.8266 -0.8266
-0.6256 -0.6256 -0.4619 -0.4619 0.3581 0.3581 0.3853 0.3853
8.2784 8.2784 9.4424 9.4424 10.0201 10.0201 11.4741 11.4741
11.6208 11.6208
k =-0.0743 0.0631 0.6560 ( 4418 PWs) bands (ev):
-24.8557 -24.8557 -24.7961 -24.7961 -20.9978 -20.9978 -20.9545 -20.9545
-19.5223 -19.5223 -19.5117 -19.5117 -8.8900 -8.8900 -8.7765 -8.7765
-8.6509 -8.6509 -8.4090 -8.4090 -8.3167 -8.3167 -8.1373 -8.1373
-4.4023 -4.4023 -4.3322 -4.3322 -1.6843 -1.6843 -1.6294 -1.6294
-1.5885 -1.5885 -1.0556 -1.0556 -0.8860 -0.8860 -0.8172 -0.8172
-0.6251 -0.6251 -0.4641 -0.4641 0.3423 0.3423 0.3781 0.3781
8.2907 8.2907 9.4560 9.4560 10.0246 10.0246 11.4688 11.4688
11.6172 11.6172
k =-0.0867 0.0736 0.6560 ( 4414 PWs) bands (ev):
-24.8539 -24.8539 -24.7988 -24.7988 -20.9949 -20.9949 -20.9479 -20.9479
-19.5280 -19.5280 -19.5165 -19.5165 -8.8913 -8.8913 -8.7704 -8.7704
-8.6465 -8.6465 -8.4116 -8.4116 -8.3155 -8.3155 -8.1362 -8.1362
-4.4260 -4.4260 -4.3398 -4.3398 -1.6738 -1.6738 -1.6234 -1.6234
-1.5611 -1.5611 -1.0541 -1.0541 -0.8851 -0.8851 -0.8064 -0.8064
-0.6244 -0.6244 -0.4666 -0.4666 0.3235 0.3235 0.3702 0.3702
8.3052 8.3052 9.4721 9.4721 10.0298 10.0298 11.4627 11.4627
11.6129 11.6129
k =-0.0990 0.0841 0.6560 ( 4406 PWs) bands (ev):
-24.8518 -24.8518 -24.8020 -24.8020 -20.9916 -20.9916 -20.9404 -20.9404
-19.5344 -19.5344 -19.5219 -19.5219 -8.8929 -8.8929 -8.7644 -8.7644
-8.6403 -8.6403 -8.4161 -8.4161 -8.3124 -8.3124 -8.1349 -8.1349
-4.4527 -4.4527 -4.3484 -4.3484 -1.6618 -1.6618 -1.6192 -1.6192
-1.5278 -1.5278 -1.0525 -1.0525 -0.8841 -0.8841 -0.7943 -0.7943
-0.6236 -0.6236 -0.4696 -0.4696 0.3018 0.3018 0.3614 0.3614
8.3219 8.3219 9.4906 9.4906 10.0357 10.0357 11.4559 11.4559
11.6079 11.6079
k =-0.1114 0.0946 0.6560 ( 4410 PWs) bands (ev):
-24.8495 -24.8495 -24.8054 -24.8054 -20.9880 -20.9880 -20.9321 -20.9321
-19.5416 -19.5416 -19.5281 -19.5281 -8.8949 -8.8949 -8.7592 -8.7592
-8.6319 -8.6319 -8.4228 -8.4228 -8.3073 -8.3073 -8.1334 -8.1334
-4.4820 -4.4820 -4.3577 -4.3577 -1.6484 -1.6484 -1.6153 -1.6153
-1.4902 -1.4902 -1.0506 -1.0506 -0.8831 -0.8831 -0.7811 -0.7811
-0.6228 -0.6228 -0.4728 -0.4728 0.2776 0.2776 0.3516 0.3516
8.3406 8.3406 9.5116 9.5116 10.0424 10.0424 11.4486 11.4486
11.6023 11.6023
k =-0.1238 0.1051 0.6560 ( 4410 PWs) bands (ev):
-24.8469 -24.8469 -24.8092 -24.8092 -20.9839 -20.9839 -20.9229 -20.9229
-19.5494 -19.5494 -19.5349 -19.5349 -8.8971 -8.8971 -8.7552 -8.7552
-8.6209 -8.6209 -8.4315 -8.4315 -8.3002 -8.3002 -8.1317 -8.1317
-4.5136 -4.5136 -4.3679 -4.3679 -1.6337 -1.6337 -1.6114 -1.6114
-1.4489 -1.4489 -1.0485 -1.0485 -0.8821 -0.8821 -0.7668 -0.7668
-0.6218 -0.6218 -0.4764 -0.4764 0.2510 0.2510 0.3408 0.3408
8.3615 8.3615 9.5350 9.5350 10.0497 10.0497 11.4407 11.4407
11.5961 11.5961
k =-0.1362 0.1156 0.6560 ( 4414 PWs) bands (ev):
-24.8442 -24.8442 -24.8133 -24.8133 -20.9795 -20.9795 -20.9129 -20.9129
-19.5580 -19.5580 -19.5423 -19.5423 -8.8997 -8.8997 -8.7524 -8.7524
-8.6075 -8.6075 -8.4419 -8.4419 -8.2913 -8.2913 -8.1297 -8.1297
-4.5473 -4.5473 -4.3787 -4.3787 -1.6184 -1.6184 -1.6067 -1.6067
-1.4045 -1.4045 -1.0462 -1.0462 -0.8811 -0.8811 -0.7518 -0.7518
-0.6208 -0.6208 -0.4803 -0.4803 0.2222 0.2222 0.3290 0.3290
8.3844 8.3844 9.5608 9.5608 10.0576 10.0576 11.4326 11.4326
11.5892 11.5892
k =-0.1485 0.1262 0.6560 ( 4410 PWs) bands (ev):
-24.8412 -24.8412 -24.8177 -24.8177 -20.9747 -20.9747 -20.9022 -20.9022
-19.5670 -19.5670 -19.5503 -19.5503 -8.9025 -8.9025 -8.7510 -8.7510
-8.5915 -8.5915 -8.4538 -8.4538 -8.2809 -8.2809 -8.1273 -8.1273
-4.5826 -4.5826 -4.3901 -4.3901 -1.6071 -1.6071 -1.5966 -1.5966
-1.3574 -1.3574 -1.0437 -1.0437 -0.8802 -0.8802 -0.7360 -0.7360
-0.6198 -0.6198 -0.4844 -0.4844 0.1915 0.1915 0.3163 0.3163
8.4094 8.4094 9.5890 9.5890 10.0661 10.0661 11.4242 11.4242
11.5818 11.5818
k =-0.1609 0.1367 0.6560 ( 4418 PWs) bands (ev):
-24.8381 -24.8381 -24.8223 -24.8223 -20.9697 -20.9697 -20.8908 -20.8908
-19.5767 -19.5767 -19.5588 -19.5588 -8.9055 -8.9055 -8.7508 -8.7508
-8.5736 -8.5736 -8.4667 -8.4667 -8.2691 -8.2691 -8.1247 -8.1247
-4.6193 -4.6193 -4.4020 -4.4020 -1.6018 -1.6018 -1.5791 -1.5791
-1.3079 -1.3079 -1.0410 -1.0410 -0.8795 -0.8795 -0.7197 -0.7197
-0.6186 -0.6186 -0.4888 -0.4888 0.1591 0.1591 0.3026 0.3026
8.4363 8.4363 9.6195 9.6195 10.0751 10.0751 11.4156 11.4156
11.5737 11.5737
k =-0.1733 0.1472 0.6560 ( 4414 PWs) bands (ev):
-24.8348 -24.8348 -24.8271 -24.8271 -20.9643 -20.9643 -20.8788 -20.8788
-19.5867 -19.5867 -19.5679 -19.5679 -8.9088 -8.9088 -8.7516 -8.7516
-8.5542 -8.5542 -8.4801 -8.4801 -8.2563 -8.2563 -8.1216 -8.1216
-4.6572 -4.6572 -4.4144 -4.4144 -1.5975 -1.5975 -1.5593 -1.5593
-1.2566 -1.2566 -1.0381 -1.0381 -0.8789 -0.8789 -0.7029 -0.7029
-0.6174 -0.6174 -0.4934 -0.4934 0.1252 0.1252 0.2880 0.2880
8.4651 8.4651 9.6523 9.6523 10.0845 10.0845 11.4071 11.4071
11.5651 11.5651
k =-0.1857 0.1577 0.6560 ( 4408 PWs) bands (ev):
-24.8321 -24.8321 -24.8313 -24.8313 -20.9587 -20.9587 -20.8663 -20.8663
-19.5972 -19.5972 -19.5774 -19.5774 -8.9124 -8.9124 -8.7533 -8.7533
-8.5355 -8.5355 -8.4920 -8.4920 -8.2425 -8.2425 -8.1181 -8.1181
-4.6959 -4.6959 -4.4271 -4.4271 -1.5933 -1.5933 -1.5382 -1.5382
-1.2036 -1.2036 -1.0350 -1.0350 -0.8787 -0.8787 -0.6858 -0.6858
-0.6161 -0.6161 -0.4981 -0.4981 0.0902 0.0902 0.2725 0.2725
8.4958 8.4958 9.6873 9.6873 10.0944 10.0944 11.3987 11.3987
11.5560 11.5560
k =-0.1981 0.1682 0.6560 ( 4412 PWs) bands (ev):
-24.8372 -24.8372 -24.8277 -24.8277 -20.9528 -20.9528 -20.8532 -20.8532
-19.6081 -19.6081 -19.5875 -19.5875 -8.9161 -8.9161 -8.7557 -8.7557
-8.5269 -8.5269 -8.4932 -8.4932 -8.2280 -8.2280 -8.1141 -8.1141
-4.7351 -4.7351 -4.4402 -4.4402 -1.5892 -1.5892 -1.5161 -1.5161
-1.1496 -1.1496 -1.0318 -1.0318 -0.8787 -0.8787 -0.6686 -0.6686
-0.6148 -0.6148 -0.5031 -0.5031 0.0542 0.0542 0.2562 0.2562
8.5282 8.5282 9.7244 9.7244 10.1046 10.1046 11.3905 11.3905
11.5465 11.5465
k =-0.2104 0.1787 0.6560 ( 4420 PWs) bands (ev):
-24.8424 -24.8424 -24.8241 -24.8241 -20.9468 -20.9468 -20.8397 -20.8397
-19.6192 -19.6192 -19.5979 -19.5979 -8.9201 -8.9201 -8.7586 -8.7586
-8.5364 -8.5364 -8.4759 -8.4759 -8.2129 -8.2129 -8.1094 -8.1094
-4.7747 -4.7747 -4.4534 -4.4534 -1.5850 -1.5850 -1.4929 -1.4929
-1.0948 -1.0948 -1.0283 -1.0283 -0.8790 -0.8790 -0.6513 -0.6513
-0.6135 -0.6135 -0.5081 -0.5081 0.0176 0.0176 0.2391 0.2391
8.5623 8.5623 9.7637 9.7637 10.1150 10.1150 11.3826 11.3826
11.5365 11.5365
k =-0.2228 0.1892 0.6560 ( 4420 PWs) bands (ev):
-24.8478 -24.8478 -24.8203 -24.8203 -20.9406 -20.9406 -20.8259 -20.8259
-19.6305 -19.6305 -19.6087 -19.6087 -8.9242 -8.9242 -8.7619 -8.7619
-8.5513 -8.5513 -8.4527 -8.4527 -8.1975 -8.1975 -8.1039 -8.1039
-4.8144 -4.8144 -4.4668 -4.4668 -1.5809 -1.5809 -1.4689 -1.4689
-1.0404 -1.0404 -1.0240 -1.0240 -0.8798 -0.8798 -0.6339 -0.6339
-0.6121 -0.6121 -0.5133 -0.5133 -0.0193 -0.0193 0.2213 0.2213
8.5981 8.5981 9.8048 9.8048 10.1256 10.1256 11.3752 11.3752
11.5262 11.5262
k =-0.2352 0.1997 0.6560 ( 4426 PWs) bands (ev):
-24.8531 -24.8531 -24.8165 -24.8165 -20.9342 -20.9342 -20.8117 -20.8117
-19.6420 -19.6420 -19.6198 -19.6198 -8.9285 -8.9285 -8.7655 -8.7655
-8.5675 -8.5675 -8.4282 -8.4282 -8.1820 -8.1820 -8.0975 -8.0975
-4.8539 -4.8539 -4.4803 -4.4803 -1.5768 -1.5768 -1.4441 -1.4441
-1.0219 -1.0219 -0.9840 -0.9840 -0.8807 -0.8807 -0.6170 -0.6170
-0.6102 -0.6102 -0.5185 -0.5185 -0.0563 -0.0563 0.2027 0.2027
8.6353 8.6353 9.8479 9.8479 10.1363 10.1363 11.3682 11.3682
11.5156 11.5156
k =-0.2476 0.2103 0.6560 ( 4420 PWs) bands (ev):
-24.8585 -24.8585 -24.8126 -24.8126 -20.9277 -20.9277 -20.7973 -20.7973
-19.6536 -19.6536 -19.6311 -19.6311 -8.9329 -8.9329 -8.7694 -8.7694
-8.5840 -8.5840 -8.4033 -8.4033 -8.1667 -8.1667 -8.0899 -8.0899
-4.8930 -4.8930 -4.4937 -4.4937 -1.5728 -1.5728 -1.4186 -1.4186
-1.0179 -1.0179 -0.9313 -0.9313 -0.8808 -0.8808 -0.6099 -0.6099
-0.5983 -0.5983 -0.5238 -0.5238 -0.0930 -0.0930 0.1836 0.1836
8.6739 8.6739 9.8926 9.8926 10.1470 10.1470 11.3619 11.3619
11.5048 11.5048
k =-0.2600 0.2208 0.6560 ( 4426 PWs) bands (ev):
-24.8639 -24.8639 -24.8087 -24.8087 -20.9212 -20.9212 -20.7828 -20.7828
-19.6651 -19.6651 -19.6427 -19.6427 -8.9375 -8.9375 -8.7734 -8.7734
-8.6006 -8.6006 -8.3786 -8.3786 -8.1517 -8.1517 -8.0809 -8.0809
-4.9315 -4.9315 -4.5071 -4.5071 -1.5689 -1.5689 -1.3927 -1.3927
-1.0141 -1.0141 -0.8960 -0.8960 -0.8650 -0.8650 -0.6083 -0.6083
-0.5808 -0.5808 -0.5290 -0.5290 -0.1292 -0.1292 0.1638 0.1638
8.7137 8.7137 9.9389 9.9389 10.1577 10.1577 11.3563 11.3563
11.4938 11.4938
k =-0.2723 0.2313 0.6560 ( 4426 PWs) bands (ev):
-24.8692 -24.8692 -24.8048 -24.8048 -20.9146 -20.9146 -20.7683 -20.7683
-19.6766 -19.6766 -19.6544 -19.6544 -8.9422 -8.9422 -8.7775 -8.7775
-8.6171 -8.6171 -8.3546 -8.3546 -8.1373 -8.1373 -8.0702 -8.0702
-4.9693 -4.9693 -4.5203 -4.5203 -1.5650 -1.5650 -1.3662 -1.3662
-1.0102 -1.0102 -0.8941 -0.8941 -0.8181 -0.8181 -0.6069 -0.6069
-0.5627 -0.5627 -0.5342 -0.5342 -0.1644 -0.1644 0.1436 0.1436
8.7547 8.7547 9.9866 9.9866 10.1683 10.1683 11.3514 11.3514
11.4828 11.4828
k =-0.2847 0.2418 0.6560 ( 4422 PWs) bands (ev):
-24.8744 -24.8744 -24.8010 -24.8010 -20.9080 -20.9080 -20.7537 -20.7537
-19.6879 -19.6879 -19.6662 -19.6662 -8.9470 -8.9470 -8.7817 -8.7817
-8.6331 -8.6331 -8.3316 -8.3316 -8.1235 -8.1235 -8.0578 -8.0578
-5.0061 -5.0061 -4.5333 -4.5333 -1.5613 -1.5613 -1.3396 -1.3396
-1.0063 -1.0063 -0.8976 -0.8976 -0.7688 -0.7688 -0.6055 -0.6055
-0.5438 -0.5438 -0.5394 -0.5394 -0.1985 -0.1985 0.1231 0.1231
8.7966 8.7966 10.0354 10.0354 10.1786 10.1786 11.3472 11.3472
11.4718 11.4718
k =-0.2971 0.2523 0.6560 ( 4418 PWs) bands (ev):
-24.8795 -24.8795 -24.7972 -24.7972 -20.9015 -20.9015 -20.7392 -20.7392
-19.6990 -19.6990 -19.6780 -19.6780 -8.9518 -8.9518 -8.7860 -8.7860
-8.6488 -8.6488 -8.3100 -8.3100 -8.1101 -8.1101 -8.0439 -8.0439
-5.0418 -5.0418 -4.5459 -4.5459 -1.5578 -1.5578 -1.3127 -1.3127
-1.0024 -1.0024 -0.9026 -0.9026 -0.7220 -0.7220 -0.6042 -0.6042
-0.5444 -0.5444 -0.5234 -0.5234 -0.2311 -0.2311 0.1022 0.1022
8.8392 8.8392 10.0851 10.0851 10.1887 10.1887 11.3438 11.3438
11.4608 11.4608
k =-0.3095 0.2628 0.6560 ( 4422 PWs) bands (ev):
-24.8845 -24.8845 -24.7935 -24.7935 -20.8951 -20.8951 -20.7250 -20.7250
-19.7099 -19.7099 -19.6898 -19.6898 -8.9567 -8.9567 -8.7902 -8.7902
-8.6638 -8.6638 -8.2902 -8.2902 -8.0971 -8.0971 -8.0286 -8.0286
-5.0762 -5.0762 -4.5583 -4.5583 -1.5543 -1.5543 -1.2860 -1.2860
-0.9986 -0.9986 -0.9087 -0.9087 -0.6793 -0.6793 -0.6029 -0.6029
-0.5494 -0.5494 -0.5011 -0.5011 -0.2620 -0.2620 0.0811 0.0811
8.8823 8.8823 10.1354 10.1354 10.1984 10.1984 11.3413 11.3413
11.4500 11.4500
k =-0.3219 0.2733 0.6560 ( 4426 PWs) bands (ev):
-24.8893 -24.8893 -24.7898 -24.7898 -20.8888 -20.8888 -20.7110 -20.7110
-19.7205 -19.7205 -19.7014 -19.7014 -8.9616 -8.9616 -8.7944 -8.7944
-8.6781 -8.6781 -8.2722 -8.2722 -8.0841 -8.0841 -8.0124 -8.0124
-5.1091 -5.1091 -4.5703 -4.5703 -1.5511 -1.5511 -1.2595 -1.2595
-0.9948 -0.9948 -0.9155 -0.9155 -0.6419 -0.6419 -0.6017 -0.6017
-0.5541 -0.5541 -0.4759 -0.4759 -0.2910 -0.2910 0.0599 0.0599
8.9257 8.9257 10.1860 10.1860 10.2076 10.2076 11.3394 11.3394
11.4395 11.4395
k =-0.3342 0.2839 0.6560 ( 4424 PWs) bands (ev):
-24.8939 -24.8939 -24.7863 -24.7863 -20.8827 -20.8827 -20.6973 -20.6973
-19.7306 -19.7306 -19.7129 -19.7129 -8.9665 -8.9665 -8.7985 -8.7985
-8.6917 -8.6917 -8.2564 -8.2564 -8.0709 -8.0709 -7.9956 -7.9956
-5.1404 -5.1404 -4.5818 -4.5818 -1.5481 -1.5481 -1.2335 -1.2335
-0.9912 -0.9912 -0.9230 -0.9230 -0.6105 -0.6105 -0.6004 -0.6004
-0.5587 -0.5587 -0.4475 -0.4475 -0.3178 -0.3178 0.0389 0.0389
8.9692 8.9692 10.2164 10.2164 10.2365 10.2365 11.3384 11.3384
11.4292 11.4292
k =-0.3466 0.2944 0.6560 ( 4420 PWs) bands (ev):
-24.8983 -24.8983 -24.7830 -24.7830 -20.8769 -20.8769 -20.6841 -20.6841
-19.7403 -19.7403 -19.7240 -19.7240 -8.9714 -8.9714 -8.8025 -8.8025
-8.7044 -8.7044 -8.2426 -8.2426 -8.0577 -8.0577 -7.9785 -7.9785
-5.1701 -5.1701 -4.5928 -4.5928 -1.5452 -1.5452 -1.2083 -1.2083
-0.9877 -0.9877 -0.9307 -0.9307 -0.5993 -0.5993 -0.5851 -0.5851
-0.5630 -0.5630 -0.4165 -0.4165 -0.3422 -0.3422 0.0180 0.0180
9.0123 9.0123 10.2247 10.2247 10.2866 10.2866 11.3380 11.3380
11.4194 11.4194
k =-0.3466 0.2944 0.6560 ( 4420 PWs) bands (ev):
-24.8983 -24.8983 -24.7830 -24.7830 -20.8769 -20.8769 -20.6841 -20.6841
-19.7403 -19.7403 -19.7240 -19.7240 -8.9714 -8.9714 -8.8025 -8.8025
-8.7044 -8.7044 -8.2426 -8.2426 -8.0577 -8.0577 -7.9785 -7.9785
-5.1701 -5.1701 -4.5928 -4.5928 -1.5452 -1.5452 -1.2083 -1.2083
-0.9877 -0.9877 -0.9307 -0.9307 -0.5993 -0.5993 -0.5851 -0.5851
-0.5630 -0.5630 -0.4165 -0.4165 -0.3422 -0.3422 0.0180 0.0180
9.0123 9.0123 10.2247 10.2247 10.2866 10.2866 11.3380 11.3380
11.4194 11.4194
k =-0.3551 0.3016 0.6448 ( 4413 PWs) bands (ev):
-24.9011 -24.9011 -24.7809 -24.7809 -20.8730 -20.8730 -20.6755 -20.6755
-19.7465 -19.7465 -19.7314 -19.7314 -8.9745 -8.9745 -8.8050 -8.8050
-8.7123 -8.7123 -8.2346 -8.2346 -8.0488 -8.0488 -7.9671 -7.9671
-5.1890 -5.1890 -4.6000 -4.6000 -1.5433 -1.5433 -1.1911 -1.1911
-0.9856 -0.9856 -0.9367 -0.9367 -0.5985 -0.5985 -0.5705 -0.5705
-0.5658 -0.5658 -0.3951 -0.3951 -0.3560 -0.3560 0.0031 0.0031
9.0394 9.0394 10.2301 10.2301 10.3225 10.3225 11.3318 11.3318
11.4194 11.4194
k =-0.3637 0.3088 0.6336 ( 4413 PWs) bands (ev):
-24.9036 -24.9036 -24.7790 -24.7790 -20.8694 -20.8694 -20.6676 -20.6676
-19.7521 -19.7521 -19.7383 -19.7383 -8.9773 -8.9773 -8.8073 -8.8073
-8.7192 -8.7192 -8.2279 -8.2279 -8.0405 -8.0405 -7.9565 -7.9565
-5.2060 -5.2060 -4.6069 -4.6069 -1.5416 -1.5416 -1.1736 -1.1736
-0.9837 -0.9837 -0.9439 -0.9439 -0.5977 -0.5977 -0.5689 -0.5689
-0.5578 -0.5578 -0.3850 -0.3850 -0.3557 -0.3557 -0.0134 -0.0134
9.0620 9.0620 10.2352 10.2352 10.3611 10.3611 11.3177 11.3177
11.4279 11.4279
k =-0.3722 0.3161 0.6224 ( 4408 PWs) bands (ev):
-24.9058 -24.9058 -24.7774 -24.7774 -20.8661 -20.8661 -20.6605 -20.6605
-19.7569 -19.7569 -19.7446 -19.7446 -8.9798 -8.9798 -8.8093 -8.8093
-8.7250 -8.7250 -8.2223 -8.2223 -8.0330 -8.0330 -7.9470 -7.9470
-5.2210 -5.2210 -4.6132 -4.6132 -1.5400 -1.5400 -1.1560 -1.1560
-0.9824 -0.9824 -0.9518 -0.9518 -0.5968 -0.5968 -0.5716 -0.5716
-0.5471 -0.5471 -0.3938 -0.3938 -0.3339 -0.3339 -0.0313 -0.0313
9.0803 9.0803 10.2398 10.2398 10.4010 10.4010 11.3017 11.3017
11.4392 11.4392
k =-0.3807 0.3233 0.6113 ( 4410 PWs) bands (ev):
-24.9076 -24.9076 -24.7760 -24.7760 -20.8632 -20.8632 -20.6543 -20.6543
-19.7611 -19.7611 -19.7504 -19.7504 -8.9819 -8.9819 -8.8110 -8.8110
-8.7299 -8.7299 -8.2179 -8.2179 -8.0265 -8.0265 -7.9387 -7.9387
-5.2339 -5.2339 -4.6188 -4.6188 -1.5386 -1.5386 -1.1386 -1.1386
-0.9822 -0.9822 -0.9599 -0.9599 -0.5958 -0.5958 -0.5743 -0.5743
-0.5382 -0.5382 -0.4052 -0.4052 -0.3074 -0.3074 -0.0506 -0.0506
9.0948 9.0948 10.2439 10.2439 10.4403 10.4403 11.2865 11.2865
11.4503 11.4503
k =-0.3892 0.3306 0.6001 ( 4413 PWs) bands (ev):
-24.9092 -24.9092 -24.7749 -24.7749 -20.8607 -20.8607 -20.6492 -20.6492
-19.7643 -19.7643 -19.7554 -19.7554 -8.9837 -8.9837 -8.8124 -8.8124
-8.7339 -8.7339 -8.2144 -8.2144 -8.0211 -8.0211 -7.9317 -7.9317
-5.2445 -5.2445 -4.6235 -4.6235 -1.5374 -1.5374 -1.1217 -1.1217
-0.9842 -0.9842 -0.9667 -0.9667 -0.5948 -0.5948 -0.5768 -0.5768
-0.5309 -0.5309 -0.4156 -0.4156 -0.2798 -0.2798 -0.0712 -0.0712
9.1061 9.1061 10.2474 10.2474 10.4771 10.4771 11.2734 11.2734
11.4600 11.4600
k =-0.3977 0.3378 0.5889 ( 4417 PWs) bands (ev):
-24.9104 -24.9104 -24.7740 -24.7740 -20.8587 -20.8587 -20.6451 -20.6451
-19.7668 -19.7668 -19.7595 -19.7595 -8.9851 -8.9851 -8.8135 -8.8135
-8.7369 -8.7369 -8.2117 -8.2117 -8.0167 -8.0167 -7.9261 -7.9261
-5.2529 -5.2529 -4.6274 -4.6274 -1.5365 -1.5365 -1.1059 -1.1059
-0.9900 -0.9900 -0.9702 -0.9702 -0.5937 -0.5937 -0.5790 -0.5790
-0.5250 -0.5250 -0.4243 -0.4243 -0.2521 -0.2521 -0.0930 -0.0930
9.1144 9.1144 10.2503 10.2503 10.5091 10.5091 11.2628 11.2628
11.4680 11.4680
k =-0.4063 0.3450 0.5777 ( 4414 PWs) bands (ev):
-24.9112 -24.9112 -24.7733 -24.7733 -20.8573 -20.8573 -20.6421 -20.6421
-19.7684 -19.7684 -19.7627 -19.7627 -8.9861 -8.9861 -8.8143 -8.8143
-8.7390 -8.7390 -8.2099 -8.2099 -8.0136 -8.0136 -7.9221 -7.9221
-5.2590 -5.2590 -4.6302 -4.6302 -1.5358 -1.5358 -1.0921 -1.0921
-0.9981 -0.9981 -0.9712 -0.9712 -0.5926 -0.5926 -0.5810 -0.5810
-0.5207 -0.5207 -0.4309 -0.4309 -0.2251 -0.2251 -0.1156 -0.1156
9.1201 9.1201 10.2523 10.2523 10.5341 10.5341 11.2551 11.2551
11.4738 11.4738
k =-0.4148 0.3523 0.5665 ( 4415 PWs) bands (ev):
-24.9117 -24.9117 -24.7730 -24.7730 -20.8564 -20.8564 -20.6403 -20.6403
-19.7692 -19.7692 -19.7648 -19.7648 -8.9867 -8.9867 -8.8148 -8.8148
-8.7403 -8.7403 -8.2088 -8.2088 -8.0117 -8.0117 -7.9196 -7.9196
-5.2626 -5.2626 -4.6319 -4.6319 -1.5354 -1.5354 -1.0818 -1.0818
-1.0052 -1.0052 -0.9715 -0.9715 -0.5916 -0.5916 -0.5824 -0.5824
-0.5179 -0.5179 -0.4350 -0.4350 -0.2001 -0.2001 -0.1378 -0.1378
9.1234 9.1234 10.2536 10.2536 10.5501 10.5501 11.2504 11.2504
11.4774 11.4774
k =-0.4233 0.3595 0.5554 ( 4426 PWs) bands (ev):
-24.9119 -24.9119 -24.7728 -24.7728 -20.8561 -20.8561 -20.6397 -20.6397
-19.7695 -19.7695 -19.7655 -19.7655 -8.9869 -8.9869 -8.8149 -8.8149
-8.7408 -8.7408 -8.2085 -8.2085 -8.0110 -8.0110 -7.9188 -7.9188
-5.2639 -5.2639 -4.6325 -4.6325 -1.5352 -1.5352 -1.0779 -1.0779
-1.0083 -1.0083 -0.9715 -0.9715 -0.5912 -0.5912 -0.5830 -0.5830
-0.5170 -0.5170 -0.4365 -0.4365 -0.1857 -0.1857 -0.1514 -0.1514
9.1245 9.1245 10.2540 10.2540 10.5556 10.5556 11.2488 11.2488
11.4786 11.4786
k =-0.4233 0.3595 0.5554 ( 4426 PWs) bands (ev):
-24.9119 -24.9119 -24.7728 -24.7728 -20.8561 -20.8561 -20.6397 -20.6397
-19.7695 -19.7695 -19.7655 -19.7655 -8.9869 -8.9869 -8.8149 -8.8149
-8.7408 -8.7408 -8.2085 -8.2085 -8.0110 -8.0110 -7.9188 -7.9188
-5.2639 -5.2639 -4.6325 -4.6325 -1.5352 -1.5352 -1.0779 -1.0779
-1.0083 -1.0083 -0.9715 -0.9715 -0.5912 -0.5912 -0.5830 -0.5830
-0.5170 -0.5170 -0.4365 -0.4365 -0.1857 -0.1857 -0.1514 -0.1514
9.1245 9.1245 10.2540 10.2540 10.5556 10.5556 11.2488 11.2488
11.4786 11.4786
k =-0.4143 0.3519 0.5435 ( 4424 PWs) bands (ev):
-24.9083 -24.9083 -24.7758 -24.7758 -20.8599 -20.8599 -20.6502 -20.6502
-19.7620 -19.7620 -19.7575 -19.7575 -8.9820 -8.9820 -8.8109 -8.8109
-8.7307 -8.7307 -8.2161 -8.2161 -8.0238 -8.0238 -7.9353 -7.9353
-5.2420 -5.2420 -4.6264 -4.6264 -1.5367 -1.5367 -1.0745 -1.0745
-1.0221 -1.0221 -0.9748 -0.9748 -0.5914 -0.5914 -0.5813 -0.5813
-0.5229 -0.5229 -0.4286 -0.4286 -0.1895 -0.1895 -0.1571 -0.1571
9.0686 9.0686 10.2499 10.2499 10.5497 10.5497 11.2249 11.2249
11.5081 11.5081
k =-0.4053 0.3442 0.5317 ( 4424 PWs) bands (ev):
-24.9044 -24.9044 -24.7790 -24.7790 -20.8638 -20.8638 -20.6612 -20.6612
-19.7540 -19.7540 -19.7491 -19.7491 -8.9768 -8.9768 -8.8063 -8.8063
-8.7193 -8.7193 -8.2254 -8.2254 -8.0372 -8.0372 -7.9528 -7.9528
-5.2183 -5.2183 -4.6205 -4.6205 -1.5382 -1.5382 -1.0713 -1.0713
-1.0361 -1.0361 -0.9781 -0.9781 -0.5917 -0.5917 -0.5796 -0.5796
-0.5290 -0.5290 -0.4215 -0.4215 -0.1933 -0.1933 -0.1629 -0.1629
9.0075 9.0075 10.2457 10.2457 10.5481 10.5481 11.1991 11.1991
11.5402 11.5402
k =-0.3963 0.3366 0.5199 ( 4418 PWs) bands (ev):
-24.9001 -24.9001 -24.7826 -24.7826 -20.8677 -20.8677 -20.6726 -20.6726
-19.7458 -19.7458 -19.7405 -19.7405 -8.9712 -8.9712 -8.8012 -8.8012
-8.7065 -8.7065 -8.2365 -8.2365 -8.0507 -8.0507 -7.9710 -7.9710
-5.1930 -5.1930 -4.6150 -4.6150 -1.5397 -1.5397 -1.0684 -1.0684
-1.0500 -1.0500 -0.9815 -0.9815 -0.5922 -0.5922 -0.5779 -0.5779
-0.5349 -0.5349 -0.4152 -0.4152 -0.1970 -0.1970 -0.1687 -0.1687
8.9419 8.9419 10.2415 10.2415 10.5509 10.5509 11.1717 11.1717
11.5410 11.5410
k =-0.3873 0.3289 0.5081 ( 4414 PWs) bands (ev):
-24.8956 -24.8956 -24.7864 -24.7864 -20.8714 -20.8714 -20.6845 -20.6845
-19.7374 -19.7374 -19.7319 -19.7319 -8.9653 -8.9653 -8.7955 -8.7955
-8.6926 -8.6926 -8.2496 -8.2496 -8.0644 -8.0644 -7.9898 -7.9898
-5.1663 -5.1663 -4.6100 -4.6100 -1.5410 -1.5410 -1.0664 -1.0664
-1.0634 -1.0634 -0.9848 -0.9848 -0.5930 -0.5930 -0.5764 -0.5764
-0.5405 -0.5405 -0.4102 -0.4102 -0.2004 -0.2004 -0.1743 -0.1743
8.8723 8.8723 10.2374 10.2374 10.5579 10.5579 11.1430 11.1430
11.5368 11.5368
k =-0.3783 0.3213 0.4963 ( 4422 PWs) bands (ev):
-24.8907 -24.8907 -24.7906 -24.7906 -20.8750 -20.8750 -20.6965 -20.6965
-19.7289 -19.7289 -19.7233 -19.7233 -8.9592 -8.9592 -8.7892 -8.7892
-8.6773 -8.6773 -8.2649 -8.2649 -8.0779 -8.0779 -8.0087 -8.0087
-5.1385 -5.1385 -4.6059 -4.6059 -1.5422 -1.5422 -1.0770 -1.0770
-1.0643 -1.0643 -0.9883 -0.9883 -0.5939 -0.5939 -0.5749 -0.5749
-0.5454 -0.5454 -0.4066 -0.4066 -0.2036 -0.2036 -0.1796 -0.1796
8.7994 8.7994 10.2334 10.2334 10.5690 10.5690 11.1131 11.1131
11.5330 11.5330
k =-0.3693 0.3136 0.4845 ( 4412 PWs) bands (ev):
-24.8855 -24.8855 -24.7950 -24.7950 -20.8782 -20.8782 -20.7086 -20.7086
-19.7204 -19.7204 -19.7148 -19.7148 -8.9528 -8.9528 -8.7822 -8.7822
-8.6609 -8.6609 -8.2823 -8.2823 -8.0915 -8.0915 -8.0275 -8.0275
-5.1096 -5.1096 -4.6027 -4.6027 -1.5432 -1.5432 -1.0894 -1.0894
-1.0634 -1.0634 -0.9917 -0.9917 -0.5951 -0.5951 -0.5738 -0.5738
-0.5494 -0.5494 -0.4046 -0.4046 -0.2064 -0.2064 -0.1844 -0.1844
8.7239 8.7239 10.2296 10.2296 10.5838 10.5838 11.0823 11.0823
11.5294 11.5294
k =-0.3603 0.3060 0.4727 ( 4412 PWs) bands (ev):
-24.8801 -24.8801 -24.7997 -24.7997 -20.8811 -20.8811 -20.7208 -20.7208
-19.7120 -19.7120 -19.7065 -19.7065 -8.9463 -8.9463 -8.7744 -8.7744
-8.6433 -8.6433 -8.3018 -8.3018 -8.1054 -8.1054 -8.0455 -8.0455
-5.0800 -5.0800 -4.6007 -4.6007 -1.5440 -1.5440 -1.1010 -1.1010
-1.0635 -1.0635 -0.9951 -0.9951 -0.5966 -0.5966 -0.5728 -0.5728
-0.5522 -0.5522 -0.4042 -0.4042 -0.2088 -0.2088 -0.1888 -0.1888
8.6462 8.6462 10.2260 10.2260 10.6021 10.6021 11.0506 11.0506
11.5263 11.5263
k =-0.3513 0.2983 0.4608 ( 4404 PWs) bands (ev):
-24.8745 -24.8745 -24.8047 -24.8047 -20.8836 -20.8836 -20.7328 -20.7328
-19.7038 -19.7038 -19.6986 -19.6986 -8.9397 -8.9397 -8.7657 -8.7657
-8.6246 -8.6246 -8.3231 -8.3231 -8.1203 -8.1203 -8.0621 -8.0621
-5.0498 -5.0498 -4.6001 -4.6001 -1.5445 -1.5445 -1.1115 -1.1115
-1.0645 -1.0645 -0.9983 -0.9983 -0.5983 -0.5983 -0.5722 -0.5722
-0.5539 -0.5539 -0.4056 -0.4056 -0.2108 -0.2108 -0.1925 -0.1925
8.5669 8.5669 10.2227 10.2227 10.6234 10.6234 11.0184 11.0184
11.5237 11.5237
k =-0.3422 0.2907 0.4490 ( 4408 PWs) bands (ev):
-24.8686 -24.8686 -24.8099 -24.8099 -20.8856 -20.8856 -20.7447 -20.7447
-19.6960 -19.6960 -19.6910 -19.6910 -8.9331 -8.9331 -8.7562 -8.7562
-8.6049 -8.6049 -8.3459 -8.3459 -8.1370 -8.1370 -8.0766 -8.0766
-5.0193 -5.0193 -4.6011 -4.6011 -1.5447 -1.5447 -1.1210 -1.1210
-1.0665 -1.0665 -1.0015 -1.0015 -0.6003 -0.6003 -0.5718 -0.5718
-0.5542 -0.5542 -0.4086 -0.4086 -0.2124 -0.2124 -0.1956 -0.1956
8.4864 8.4864 10.2197 10.2197 10.6474 10.6474 10.9857 10.9857
11.5216 11.5216
k =-0.3332 0.2830 0.4372 ( 4414 PWs) bands (ev):
-24.8625 -24.8625 -24.8153 -24.8153 -20.8870 -20.8870 -20.7562 -20.7562
-19.6885 -19.6885 -19.6840 -19.6840 -8.9264 -8.9264 -8.7458 -8.7458
-8.5843 -8.5843 -8.3698 -8.3698 -8.1557 -8.1557 -8.0886 -8.0886
-4.9887 -4.9887 -4.6037 -4.6037 -1.5445 -1.5445 -1.1293 -1.1293
-1.0695 -1.0695 -1.0045 -1.0045 -0.6025 -0.6025 -0.5715 -0.5715
-0.5533 -0.5533 -0.4134 -0.4134 -0.2137 -0.2137 -0.1981 -0.1981
8.4052 8.4052 10.2170 10.2170 10.6739 10.6739 10.9527 10.9527
11.5201 11.5201
k =-0.3242 0.2754 0.4254 ( 4422 PWs) bands (ev):
-24.8563 -24.8563 -24.8210 -24.8210 -20.8878 -20.8878 -20.7675 -20.7675
-19.6815 -19.6815 -19.6775 -19.6775 -8.9199 -8.9199 -8.7344 -8.7344
-8.5630 -8.5630 -8.3944 -8.3944 -8.1763 -8.1763 -8.0984 -8.0984
-4.9583 -4.9583 -4.6082 -4.6082 -1.5439 -1.5439 -1.1362 -1.1362
-1.0733 -1.0733 -1.0074 -1.0074 -0.6050 -0.6050 -0.5713 -0.5713
-0.5512 -0.5512 -0.4196 -0.4196 -0.2147 -0.2147 -0.1999 -0.1999
8.3236 8.3236 10.2146 10.2146 10.7024 10.7024 10.9196 10.9196
11.5192 11.5192
k =-0.3152 0.2677 0.4136 ( 4418 PWs) bands (ev):
-24.8499 -24.8499 -24.8269 -24.8269 -20.8880 -20.8880 -20.7783 -20.7783
-19.6750 -19.6750 -19.6716 -19.6716 -8.9134 -8.9134 -8.7221 -8.7221
-8.5411 -8.5411 -8.4190 -8.4190 -8.1983 -8.1983 -8.1064 -8.1064
-4.9282 -4.9282 -4.6146 -4.6146 -1.5429 -1.5429 -1.1418 -1.1418
-1.0778 -1.0778 -1.0100 -1.0100 -0.6078 -0.6078 -0.5714 -0.5714
-0.5478 -0.5478 -0.4272 -0.4272 -0.2156 -0.2156 -0.2011 -0.2011
8.2419 8.2419 10.2125 10.2125 10.7326 10.7326 10.8865 10.8865
11.5191 11.5191
k =-0.3062 0.2601 0.4018 ( 4420 PWs) bands (ev):
-24.8433 -24.8433 -24.8330 -24.8330 -20.8874 -20.8874 -20.7886 -20.7886
-19.6691 -19.6691 -19.6664 -19.6664 -8.9071 -8.9071 -8.7089 -8.7089
-8.5195 -8.5195 -8.4429 -8.4429 -8.2214 -8.2214 -8.1131 -8.1131
-4.8987 -4.8987 -4.6229 -4.6229 -1.5413 -1.5413 -1.1460 -1.1460
-1.0829 -1.0829 -1.0123 -1.0123 -0.6110 -0.6110 -0.5719 -0.5719
-0.5430 -0.5430 -0.4359 -0.4359 -0.2164 -0.2164 -0.2018 -0.2018
8.1605 8.1605 10.2107 10.2107 10.7643 10.7643 10.8535 10.8535
11.5197 11.5197
k =-0.2972 0.2524 0.3899 ( 4420 PWs) bands (ev):
-24.8392 -24.8392 -24.8367 -24.8367 -20.8862 -20.8862 -20.7984 -20.7984
-19.6639 -19.6639 -19.6619 -19.6619 -8.9010 -8.9010 -8.6951 -8.6951
-8.5018 -8.5018 -8.4618 -8.4618 -8.2451 -8.2451 -8.1188 -8.1188
-4.8701 -4.8701 -4.6334 -4.6334 -1.5392 -1.5392 -1.1487 -1.1487
-1.0883 -1.0883 -1.0145 -1.0145 -0.6144 -0.6144 -0.5729 -0.5729
-0.5369 -0.5369 -0.4455 -0.4455 -0.2170 -0.2170 -0.2019 -0.2019
8.0795 8.0795 10.2092 10.2092 10.7972 10.7972 10.8207 10.8207
11.5210 11.5210
k =-0.2882 0.2448 0.3781 ( 4420 PWs) bands (ev):
-24.8456 -24.8456 -24.8300 -24.8300 -20.8842 -20.8842 -20.8076 -20.8076
-19.6594 -19.6594 -19.6582 -19.6582 -8.8952 -8.8952 -8.6810 -8.6810
-8.5045 -8.5045 -8.4587 -8.4587 -8.2691 -8.2691 -8.1238 -8.1238
-4.8424 -4.8424 -4.6459 -4.6459 -1.5366 -1.5366 -1.1501 -1.1501
-1.0936 -1.0936 -1.0163 -1.0163 -0.6183 -0.6183 -0.5745 -0.5745
-0.5296 -0.5296 -0.4559 -0.4559 -0.2177 -0.2177 -0.2017 -0.2017
7.9991 7.9991 10.2080 10.2080 10.7882 10.7882 10.8309 10.8309
11.5231 11.5231
k =-0.2792 0.2371 0.3663 ( 4416 PWs) bands (ev):
-24.8521 -24.8521 -24.8232 -24.8232 -20.8814 -20.8814 -20.8161 -20.8161
-19.6557 -19.6557 -19.6551 -19.6551 -8.8896 -8.8896 -8.6675 -8.6675
-8.5223 -8.5223 -8.4383 -8.4383 -8.2931 -8.2931 -8.1281 -8.1281
-4.8159 -4.8159 -4.6606 -4.6606 -1.5334 -1.5334 -1.1500 -1.1500
-1.0989 -1.0989 -1.0178 -1.0178 -0.6225 -0.6225 -0.5767 -0.5767
-0.5213 -0.5213 -0.4668 -0.4668 -0.2184 -0.2184 -0.2011 -0.2011
7.9196 7.9196 10.2071 10.2071 10.7562 10.7562 10.8652 10.8652
11.5261 11.5261
k =-0.2702 0.2295 0.3545 ( 4412 PWs) bands (ev):
-24.8588 -24.8588 -24.8164 -24.8164 -20.8779 -20.8779 -20.8240 -20.8240
-19.6532 -19.6532 -19.6525 -19.6525 -8.8844 -8.8844 -8.6561 -8.6561
-8.5396 -8.5396 -8.4148 -8.4148 -8.3165 -8.3165 -8.1320 -8.1320
-4.7908 -4.7908 -4.6772 -4.6772 -1.5296 -1.5296 -1.1485 -1.1485
-1.1037 -1.1037 -1.0189 -1.0189 -0.6271 -0.6271 -0.5795 -0.5795
-0.5121 -0.5121 -0.4780 -0.4780 -0.2190 -0.2190 -0.2003 -0.2003
7.8410 7.8410 10.2065 10.2065 10.7246 10.7246 10.8998 10.8998
11.5297 11.5297
k =-0.2612 0.2218 0.3427 ( 4408 PWs) bands (ev):
-24.8655 -24.8655 -24.8096 -24.8096 -20.8735 -20.8735 -20.8311 -20.8311
-19.6518 -19.6518 -19.6503 -19.6503 -8.8795 -8.8795 -8.6497 -8.6497
-8.5513 -8.5513 -8.3918 -8.3918 -8.3381 -8.3381 -8.1354 -8.1354
-4.7672 -4.7672 -4.6960 -4.6960 -1.5252 -1.5252 -1.1458 -1.1458
-1.1079 -1.1079 -1.0198 -1.0198 -0.6320 -0.6320 -0.5829 -0.5829
-0.5022 -0.5022 -0.4894 -0.4894 -0.2196 -0.2196 -0.1993 -0.1993
7.7636 7.7636 10.2061 10.2061 10.6937 10.6937 10.9344 10.9344
11.5342 11.5342
k =-0.2522 0.2142 0.3309 ( 4412 PWs) bands (ev):
-24.8724 -24.8724 -24.8028 -24.8028 -20.8684 -20.8684 -20.8376 -20.8376
-19.6512 -19.6512 -19.6490 -19.6490 -8.8750 -8.8750 -8.6518 -8.6518
-8.5538 -8.5538 -8.3787 -8.3787 -8.3483 -8.3483 -8.1384 -8.1384
-4.7453 -4.7453 -4.7167 -4.7167 -1.5201 -1.5201 -1.1420 -1.1420
-1.1113 -1.1113 -1.0202 -1.0202 -0.6373 -0.6373 -0.5870 -0.5870
-0.5007 -0.5007 -0.4918 -0.4918 -0.2202 -0.2202 -0.1983 -0.1983
7.6875 7.6875 10.2059 10.2059 10.6633 10.6633 10.9688 10.9688
11.5392 11.5392
k =-0.2432 0.2065 0.3190 ( 4416 PWs) bands (ev):
-24.8792 -24.8792 -24.7961 -24.7961 -20.8625 -20.8625 -20.8433 -20.8433
-19.6515 -19.6515 -19.6485 -19.6485 -8.8710 -8.8710 -8.6621 -8.6621
-8.5479 -8.5479 -8.3907 -8.3907 -8.3314 -8.3314 -8.1410 -8.1410
-4.7392 -4.7392 -4.7252 -4.7252 -1.5145 -1.5145 -1.1371 -1.1371
-1.1137 -1.1137 -1.0203 -1.0203 -0.6429 -0.6429 -0.5917 -0.5917
-0.5117 -0.5117 -0.4810 -0.4810 -0.2207 -0.2207 -0.1971 -0.1971
7.6127 7.6127 10.2059 10.2059 10.6337 10.6337 11.0026 11.0026
11.5450 11.5450
k =-0.2342 0.1989 0.3072 ( 4412 PWs) bands (ev):
-24.8861 -24.8861 -24.7894 -24.7894 -20.8559 -20.8559 -20.8482 -20.8482
-19.6527 -19.6527 -19.6488 -19.6488 -8.8674 -8.8674 -8.6770 -8.6770
-8.5386 -8.5386 -8.4064 -8.4064 -8.3072 -8.3072 -8.1431 -8.1431
-4.7634 -4.7634 -4.7070 -4.7070 -1.5081 -1.5081 -1.1314 -1.1314
-1.1151 -1.1151 -1.0200 -1.0200 -0.6489 -0.6489 -0.5971 -0.5971
-0.5222 -0.5222 -0.4701 -0.4701 -0.2212 -0.2212 -0.1960 -0.1960
7.5394 7.5394 10.2060 10.2060 10.6048 10.6048 11.0358 11.0358
11.5513 11.5513
k =-0.2252 0.1912 0.2954 ( 4406 PWs) bands (ev):
-24.8930 -24.8930 -24.7827 -24.7827 -20.8523 -20.8523 -20.8485 -20.8485
-19.6546 -19.6546 -19.6499 -19.6499 -8.8644 -8.8644 -8.6936 -8.6936
-8.5316 -8.5316 -8.4169 -8.4169 -8.2821 -8.2821 -8.1446 -8.1446
-4.7893 -4.7893 -4.6908 -4.6908 -1.5010 -1.5010 -1.1252 -1.1252
-1.1152 -1.1152 -1.0193 -1.0193 -0.6552 -0.6552 -0.6031 -0.6031
-0.5320 -0.5320 -0.4593 -0.4593 -0.2214 -0.2214 -0.1948 -0.1948
7.4677 7.4677 10.2063 10.2063 10.5767 10.5767 11.0679 11.0679
11.5580 11.5580
k =-0.2162 0.1836 0.2836 ( 4402 PWs) bands (ev):
-24.8999 -24.8999 -24.7762 -24.7762 -20.8557 -20.8557 -20.8405 -20.8405
-19.6573 -19.6573 -19.6519 -19.6519 -8.8622 -8.8622 -8.7103 -8.7103
-8.5320 -8.5320 -8.4176 -8.4176 -8.2570 -8.2570 -8.1454 -8.1454
-4.8166 -4.8166 -4.6766 -4.6766 -1.4934 -1.4934 -1.1185 -1.1185
-1.1141 -1.1141 -1.0182 -1.0182 -0.6618 -0.6618 -0.6098 -0.6098
-0.5408 -0.5408 -0.4485 -0.4485 -0.2215 -0.2215 -0.1938 -0.1938
7.3977 7.3977 10.2067 10.2067 10.5494 10.5494 11.0988 11.0988
11.5650 11.5650
k =-0.2071 0.1759 0.2718 ( 4402 PWs) bands (ev):
-24.9067 -24.9067 -24.7699 -24.7699 -20.8583 -20.8583 -20.8317 -20.8317
-19.6607 -19.6607 -19.6547 -19.6547 -8.8610 -8.8610 -8.7260 -8.7260
-8.5411 -8.5411 -8.4079 -8.4079 -8.2328 -8.2328 -8.1450 -8.1450
-4.8451 -4.8451 -4.6645 -4.6645 -1.4851 -1.4851 -1.1121 -1.1121
-1.1113 -1.1113 -1.0167 -1.0167 -0.6687 -0.6687 -0.6171 -0.6171
-0.5485 -0.5485 -0.4382 -0.4382 -0.2214 -0.2214 -0.1928 -0.1928
7.3295 7.3295 10.2072 10.2072 10.5230 10.5230 11.1284 11.1284
11.5722 11.5722
k =-0.1981 0.1683 0.2600 ( 4396 PWs) bands (ev):
-24.9135 -24.9135 -24.7636 -24.7636 -20.8602 -20.8602 -20.8224 -20.8224
-19.6649 -19.6649 -19.6583 -19.6583 -8.8609 -8.8609 -8.7403 -8.7403
-8.5562 -8.5562 -8.3910 -8.3910 -8.2103 -8.2103 -8.1426 -8.1426
-4.8747 -4.8747 -4.6544 -4.6544 -1.4761 -1.4761 -1.1079 -1.1079
-1.1051 -1.1051 -1.0149 -1.0149 -0.6759 -0.6759 -0.6250 -0.6250
-0.5548 -0.5548 -0.4283 -0.4283 -0.2209 -0.2209 -0.1918 -0.1918
7.2631 7.2631 10.2077 10.2077 10.4975 10.4975 11.1563 11.1563
11.5795 11.5795
k =-0.1891 0.1606 0.2481 ( 4408 PWs) bands (ev):
-24.9202 -24.9202 -24.7575 -24.7575 -20.8614 -20.8614 -20.8125 -20.8125
-19.6697 -19.6697 -19.6626 -19.6626 -8.8622 -8.8622 -8.7527 -8.7527
-8.5742 -8.5742 -8.3701 -8.3701 -8.1912 -8.1912 -8.1364 -8.1364
-4.9052 -4.9052 -4.6464 -4.6464 -1.4665 -1.4665 -1.1028 -1.1028
-1.0990 -1.0990 -1.0128 -1.0128 -0.6833 -0.6833 -0.6336 -0.6336
-0.5596 -0.5596 -0.4191 -0.4191 -0.2202 -0.2202 -0.1908 -0.1908
7.1987 7.1987 10.2082 10.2082 10.4729 10.4729 11.1824 11.1824
11.5867 11.5867
k =-0.1801 0.1530 0.2363 ( 4404 PWs) bands (ev):
-24.9267 -24.9267 -24.7516 -24.7516 -20.8618 -20.8618 -20.8020 -20.8020
-19.6752 -19.6752 -19.6676 -19.6676 -8.8652 -8.8652 -8.7628 -8.7628
-8.5934 -8.5934 -8.3474 -8.3474 -8.1777 -8.1777 -8.1242 -8.1242
-4.9363 -4.9363 -4.6404 -4.6404 -1.4564 -1.4564 -1.0964 -1.0964
-1.0935 -1.0935 -1.0104 -1.0104 -0.6909 -0.6909 -0.6427 -0.6427
-0.5626 -0.5626 -0.4107 -0.4107 -0.2192 -0.2192 -0.1897 -0.1897
7.1364 7.1364 10.2087 10.2087 10.4494 10.4494 11.2067 11.2067
11.5936 11.5936
k =-0.1711 0.1453 0.2245 ( 4408 PWs) bands (ev):
-24.9331 -24.9331 -24.7459 -24.7459 -20.8617 -20.8617 -20.7911 -20.7911
-19.6812 -19.6812 -19.6733 -19.6733 -8.8699 -8.8699 -8.7705 -8.7705
-8.6129 -8.6129 -8.3242 -8.3242 -8.1692 -8.1692 -8.1064 -8.1064
-4.9678 -4.9678 -4.6363 -4.6363 -1.4457 -1.4457 -1.0894 -1.0894
-1.0881 -1.0881 -1.0076 -1.0076 -0.6987 -0.6987 -0.6524 -0.6524
-0.5639 -0.5639 -0.4034 -0.4034 -0.2178 -0.2178 -0.1884 -0.1884
7.0762 7.0762 10.2093 10.2093 10.4268 10.4268 11.2290 11.2290
11.6002 11.6002
k =-0.1621 0.1377 0.2127 ( 4408 PWs) bands (ev):
-24.9394 -24.9394 -24.7405 -24.7405 -20.8608 -20.8608 -20.7799 -20.7799
-19.6877 -19.6877 -19.6796 -19.6796 -8.8762 -8.8762 -8.7758 -8.7758
-8.6322 -8.6322 -8.3015 -8.3015 -8.1630 -8.1630 -8.0854 -8.0854
-4.9995 -4.9995 -4.6340 -4.6340 -1.4345 -1.4345 -1.0856 -1.0856
-1.0794 -1.0794 -1.0047 -1.0047 -0.7067 -0.7067 -0.6627 -0.6627
-0.5632 -0.5632 -0.3972 -0.3972 -0.2161 -0.2161 -0.1869 -0.1869
7.0182 7.0182 10.2098 10.2098 10.4052 10.4052 11.2493 11.2493
11.6062 11.6062
k =-0.1531 0.1300 0.2009 ( 4400 PWs) bands (ev):
-24.9455 -24.9455 -24.7352 -24.7352 -20.8595 -20.8595 -20.7683 -20.7683
-19.6946 -19.6946 -19.6864 -19.6864 -8.8837 -8.8837 -8.7793 -8.7793
-8.6508 -8.6508 -8.2804 -8.2804 -8.1566 -8.1566 -8.0632 -8.0632
-5.0312 -5.0312 -4.6334 -4.6334 -1.4228 -1.4228 -1.0832 -1.0832
-1.0693 -1.0693 -1.0014 -1.0014 -0.7149 -0.7149 -0.6734 -0.6734
-0.5607 -0.5607 -0.3924 -0.3924 -0.2140 -0.2140 -0.1850 -0.1850
6.9625 6.9625 10.2102 10.2102 10.3847 10.3847 11.2675 11.2675
11.6116 11.6116
k =-0.1441 0.1224 0.1891 ( 4412 PWs) bands (ev):
-24.9513 -24.9513 -24.7302 -24.7302 -20.8576 -20.8576 -20.7565 -20.7565
-19.7019 -19.7019 -19.6937 -19.6937 -8.8921 -8.8921 -8.7812 -8.7812
-8.6688 -8.6688 -8.2619 -8.2619 -8.1484 -8.1484 -8.0407 -8.0407
-5.0627 -5.0627 -4.6344 -4.6344 -1.4106 -1.4106 -1.0821 -1.0821
-1.0581 -1.0581 -0.9979 -0.9979 -0.7232 -0.7232 -0.6845 -0.6845
-0.5566 -0.5566 -0.3891 -0.3891 -0.2116 -0.2116 -0.1825 -0.1825
6.9093 6.9093 10.2106 10.2106 10.3652 10.3652 11.2836 11.2836
11.6162 11.6162
k =-0.1351 0.1147 0.1772 ( 4404 PWs) bands (ev):
-24.9569 -24.9569 -24.7254 -24.7254 -20.8552 -20.8552 -20.7445 -20.7445
-19.7095 -19.7095 -19.7014 -19.7014 -8.9008 -8.9008 -8.7821 -8.7821
-8.6858 -8.6858 -8.2468 -8.2468 -8.1375 -8.1375 -8.0183 -8.0183
-5.0936 -5.0936 -4.6367 -4.6367 -1.3982 -1.3982 -1.0823 -1.0823
-1.0459 -1.0459 -0.9941 -0.9941 -0.7316 -0.7316 -0.6960 -0.6960
-0.5509 -0.5509 -0.3874 -0.3874 -0.2089 -0.2089 -0.1795 -0.1795
6.8586 6.8586 10.2109 10.2109 10.3468 10.3468 11.2978 11.2978
11.6201 11.6201
k =-0.1261 0.1071 0.1654 ( 4404 PWs) bands (ev):
-24.9623 -24.9623 -24.7209 -24.7209 -20.8524 -20.8524 -20.7325 -20.7325
-19.7172 -19.7172 -19.7093 -19.7093 -8.9097 -8.9097 -8.7821 -8.7821
-8.7018 -8.7018 -8.2357 -8.2357 -8.1236 -8.1236 -7.9964 -7.9964
-5.1238 -5.1238 -4.6403 -4.6403 -1.3854 -1.3854 -1.0836 -1.0836
-1.0328 -1.0328 -0.9900 -0.9900 -0.7400 -0.7400 -0.7079 -0.7079
-0.5440 -0.5440 -0.3874 -0.3874 -0.2058 -0.2058 -0.1759 -0.1759
6.8105 6.8105 10.2112 10.2112 10.3295 10.3295 11.3100 11.3100
11.6231 11.6231
k =-0.1171 0.0994 0.1536 ( 4400 PWs) bands (ev):
-24.9673 -24.9673 -24.7167 -24.7167 -20.8494 -20.8494 -20.7206 -20.7206
-19.7250 -19.7250 -19.7175 -19.7175 -8.9184 -8.9184 -8.7817 -8.7817
-8.7167 -8.7167 -8.2280 -8.2280 -8.1071 -8.1071 -7.9750 -7.9750
-5.1531 -5.1531 -4.6449 -4.6449 -1.3724 -1.3724 -1.0859 -1.0859
-1.0191 -1.0191 -0.9856 -0.9856 -0.7486 -0.7486 -0.7199 -0.7199
-0.5361 -0.5361 -0.3889 -0.3889 -0.2024 -0.2024 -0.1717 -0.1717
6.7651 6.7651 10.2113 10.2113 10.3133 10.3133 11.3204 11.3204
11.6253 11.6253
k =-0.1081 0.0918 0.1418 ( 4396 PWs) bands (ev):
-24.9721 -24.9721 -24.7127 -24.7127 -20.8461 -20.8461 -20.7088 -20.7088
-19.7327 -19.7327 -19.7257 -19.7257 -8.9269 -8.9269 -8.7810 -8.7810
-8.7304 -8.7304 -8.2229 -8.2229 -8.0892 -8.0892 -7.9544 -7.9544
-5.1813 -5.1813 -4.6503 -4.6503 -1.3594 -1.3594 -1.0890 -1.0890
-1.0049 -1.0049 -0.9808 -0.9808 -0.7571 -0.7571 -0.7321 -0.7321
-0.5277 -0.5277 -0.3920 -0.3920 -0.1986 -0.1986 -0.1670 -0.1670
6.7225 6.7225 10.2115 10.2115 10.2983 10.2983 11.3291 11.3291
11.6267 11.6267
k =-0.0991 0.0841 0.1300 ( 4404 PWs) bands (ev):
-24.9766 -24.9766 -24.7091 -24.7091 -20.8426 -20.8426 -20.6974 -20.6974
-19.7404 -19.7404 -19.7339 -19.7339 -8.9350 -8.9350 -8.7802 -8.7802
-8.7429 -8.7429 -8.2197 -8.2197 -8.0709 -8.0709 -7.9346 -7.9346
-5.2080 -5.2080 -4.6564 -4.6564 -1.3464 -1.3464 -1.0928 -1.0928
-0.9903 -0.9903 -0.9758 -0.9758 -0.7656 -0.7656 -0.7443 -0.7443
-0.5190 -0.5190 -0.3965 -0.3965 -0.1946 -0.1946 -0.1620 -0.1620
6.6829 6.6829 10.2115 10.2115 10.2844 10.2844 11.3362 11.3362
11.6273 11.6273
k =-0.0901 0.0765 0.1182 ( 4404 PWs) bands (ev):
-24.9807 -24.9807 -24.7057 -24.7057 -20.8390 -20.8390 -20.6863 -20.6863
-19.7479 -19.7479 -19.7420 -19.7420 -8.9425 -8.9425 -8.7794 -8.7794
-8.7541 -8.7541 -8.2176 -8.2176 -8.0527 -8.0527 -7.9158 -7.9158
-5.2332 -5.2332 -4.6628 -4.6628 -1.3335 -1.3335 -1.0971 -1.0971
-0.9759 -0.9759 -0.9701 -0.9701 -0.7741 -0.7741 -0.7564 -0.7564
-0.5103 -0.5103 -0.4022 -0.4022 -0.1904 -0.1904 -0.1566 -0.1566
6.6463 6.6463 10.2115 10.2115 10.2717 10.2717 11.3420 11.3420
11.6273 11.6273
k =-0.0811 0.0688 0.1063 ( 4404 PWs) bands (ev):
-24.9845 -24.9845 -24.7027 -24.7027 -20.8355 -20.8355 -20.6757 -20.6757
-19.7550 -19.7550 -19.7498 -19.7498 -8.9496 -8.9496 -8.7788 -8.7788
-8.7638 -8.7638 -8.2163 -8.2163 -8.0355 -8.0355 -7.8981 -7.8981
-5.2566 -5.2566 -4.6695 -4.6695 -1.3209 -1.3209 -1.1015 -1.1015
-0.9659 -0.9659 -0.9600 -0.9600 -0.7823 -0.7823 -0.7683 -0.7683
-0.5019 -0.5019 -0.4088 -0.4088 -0.1862 -0.1862 -0.1512 -0.1512
6.6128 6.6128 10.2114 10.2114 10.2601 10.2601 11.3465 11.3465
11.6267 11.6267
k =-0.0721 0.0612 0.0945 ( 4400 PWs) bands (ev):
-24.9880 -24.9880 -24.6999 -24.6999 -20.8320 -20.8320 -20.6659 -20.6659
-19.7617 -19.7617 -19.7572 -19.7572 -8.9561 -8.9561 -8.7794 -8.7794
-8.7712 -8.7712 -8.2156 -8.2156 -8.0194 -8.0194 -7.8816 -7.8816
-5.2780 -5.2780 -4.6761 -4.6761 -1.3087 -1.3087 -1.1060 -1.1060
-0.9600 -0.9600 -0.9459 -0.9459 -0.7904 -0.7904 -0.7796 -0.7796
-0.4941 -0.4941 -0.4162 -0.4162 -0.1819 -0.1819 -0.1457 -0.1457
6.5826 6.5826 10.2113 10.2113 10.2497 10.2497 11.3500 11.3500
11.6257 11.6257
k =-0.0630 0.0535 0.0827 ( 4400 PWs) bands (ev):
-24.9910 -24.9910 -24.6975 -24.6975 -20.8287 -20.8287 -20.6568 -20.6568
-19.7679 -19.7679 -19.7642 -19.7642 -8.9619 -8.9619 -8.7836 -8.7836
-8.7738 -8.7738 -8.2151 -8.2151 -8.0049 -8.0049 -7.8666 -7.8666
-5.2974 -5.2974 -4.6825 -4.6825 -1.2972 -1.2972 -1.1104 -1.1104
-0.9544 -0.9544 -0.9322 -0.9322 -0.7982 -0.7982 -0.7903 -0.7903
-0.4869 -0.4869 -0.4239 -0.4239 -0.1778 -0.1778 -0.1404 -0.1404
6.5557 6.5557 10.2111 10.2111 10.2406 10.2406 11.3527 11.3527
11.6244 11.6244
k =-0.0540 0.0459 0.0709 ( 4398 PWs) bands (ev):
-24.9937 -24.9937 -24.6954 -24.6954 -20.8257 -20.8257 -20.6486 -20.6486
-19.7736 -19.7736 -19.7704 -19.7704 -8.9670 -8.9670 -8.7893 -8.7893
-8.7738 -8.7738 -8.2149 -8.2149 -7.9921 -7.9921 -7.8531 -7.8531
-5.3145 -5.3145 -4.6885 -4.6885 -1.2866 -1.2866 -1.1145 -1.1145
-0.9488 -0.9488 -0.9195 -0.9195 -0.8055 -0.8055 -0.8002 -0.8002
-0.4805 -0.4805 -0.4317 -0.4317 -0.1739 -0.1739 -0.1355 -0.1355
6.5322 6.5322 10.2110 10.2110 10.2326 10.2326 11.3546 11.3546
11.6229 11.6229
k =-0.0450 0.0382 0.0591 ( 4398 PWs) bands (ev):
-24.9960 -24.9960 -24.6936 -24.6936 -20.8230 -20.8230 -20.6414 -20.6414
-19.7785 -19.7785 -19.7760 -19.7760 -8.9715 -8.9715 -8.7946 -8.7946
-8.7733 -8.7733 -8.2148 -8.2148 -7.9811 -7.9811 -7.8414 -7.8414
-5.3292 -5.3292 -4.6939 -4.6939 -1.2770 -1.2770 -1.1182 -1.1182
-0.9435 -0.9435 -0.9081 -0.9081 -0.8125 -0.8125 -0.8087 -0.8087
-0.4751 -0.4751 -0.4391 -0.4391 -0.1704 -0.1704 -0.1310 -0.1310
6.5121 6.5121 10.2108 10.2108 10.2258 10.2258 11.3559 11.3559
11.6214 11.6214
k =-0.0360 0.0306 0.0473 ( 4390 PWs) bands (ev):
-24.9979 -24.9979 -24.6921 -24.6921 -20.8207 -20.8207 -20.6353 -20.6353
-19.7828 -19.7828 -19.7806 -19.7806 -8.9752 -8.9752 -8.7989 -8.7989
-8.7728 -8.7728 -8.2147 -8.2147 -7.9720 -7.9720 -7.8315 -7.8315
-5.3414 -5.3414 -4.6986 -4.6986 -1.2687 -1.2687 -1.1214 -1.1214
-0.9385 -0.9385 -0.8984 -0.8984 -0.8189 -0.8189 -0.8156 -0.8156
-0.4707 -0.4707 -0.4458 -0.4458 -0.1674 -0.1674 -0.1271 -0.1271
6.4956 6.4956 10.2106 10.2106 10.2203 10.2203 11.3569 11.3569
11.6200 11.6200
k =-0.0270 0.0229 0.0354 ( 4387 PWs) bands (ev):
-24.9993 -24.9993 -24.6910 -24.6910 -20.8188 -20.8188 -20.6305 -20.6305
-19.7862 -19.7862 -19.7842 -19.7842 -8.9781 -8.9781 -8.8023 -8.8023
-8.7724 -8.7724 -8.2148 -8.2148 -7.9649 -7.9649 -7.8237 -7.8237
-5.3510 -5.3510 -4.7023 -4.7023 -1.2619 -1.2619 -1.1239 -1.1239
-0.9342 -0.9342 -0.8909 -0.8909 -0.8246 -0.8246 -0.8206 -0.8206
-0.4676 -0.4676 -0.4512 -0.4512 -0.1650 -0.1650 -0.1239 -0.1239
6.4827 6.4827 10.2105 10.2105 10.2161 10.2161 11.3575 11.3575
11.6187 11.6187
k =-0.0180 0.0153 0.0236 ( 4397 PWs) bands (ev):
-25.0004 -25.0004 -24.6901 -24.6901 -20.8175 -20.8175 -20.6271 -20.6271
-19.7887 -19.7887 -19.7869 -19.7869 -8.9802 -8.9802 -8.8047 -8.8047
-8.7721 -8.7721 -8.2148 -8.2148 -7.9598 -7.9598 -7.8180 -7.8180
-5.3579 -5.3579 -4.7051 -4.7051 -1.2569 -1.2569 -1.1258 -1.1258
-0.9308 -0.9308 -0.8856 -0.8856 -0.8290 -0.8290 -0.8239 -0.8239
-0.4659 -0.4659 -0.4548 -0.4548 -0.1632 -0.1632 -0.1216 -0.1216
6.4735 6.4735 10.2103 10.2103 10.2131 10.2131 11.3578 11.3578
11.6178 11.6178
k =-0.0090 0.0076 0.0118 ( 4395 PWs) bands (ev):
-25.0010 -25.0010 -24.6897 -24.6897 -20.8166 -20.8166 -20.6249 -20.6249
-19.7902 -19.7902 -19.7884 -19.7884 -8.9814 -8.9814 -8.8061 -8.8061
-8.7719 -8.7719 -8.2148 -8.2148 -7.9567 -7.9567 -7.8146 -7.8146
-5.3620 -5.3620 -4.7068 -4.7068 -1.2539 -1.2539 -1.1270 -1.1270
-0.9287 -0.9287 -0.8825 -0.8825 -0.8317 -0.8317 -0.8258 -0.8258
-0.4655 -0.4655 -0.4564 -0.4564 -0.1621 -0.1621 -0.1201 -0.1201
6.4679 6.4679 10.2099 10.2099 10.2115 10.2115 11.3580 11.3580
11.6172 11.6172
k = 0.0000 0.0000 0.0000 ( 4391 PWs) bands (ev):
-25.0013 -25.0013 -24.6895 -24.6895 -20.8163 -20.8163 -20.6242 -20.6242
-19.7908 -19.7908 -19.7889 -19.7889 -8.9819 -8.9819 -8.8065 -8.8065
-8.7718 -8.7718 -8.2148 -8.2148 -7.9557 -7.9557 -7.8134 -7.8134
-5.3634 -5.3634 -4.7073 -4.7073 -1.2528 -1.2528 -1.1274 -1.1274
-0.9279 -0.9279 -0.8815 -0.8815 -0.8327 -0.8327 -0.8264 -0.8264
-0.4656 -0.4656 -0.4568 -0.4568 -0.1617 -0.1617 -0.1196 -0.1196
6.4661 6.4661 10.2097 10.2097 10.2111 10.2111 11.3580 11.3580
11.6170 11.6170
k = 0.0000 0.0000 0.0000 ( 4391 PWs) bands (ev):
-25.0013 -25.0013 -24.6895 -24.6895 -20.8163 -20.8163 -20.6242 -20.6242
-19.7908 -19.7908 -19.7889 -19.7889 -8.9819 -8.9819 -8.8065 -8.8065
-8.7718 -8.7718 -8.2148 -8.2148 -7.9557 -7.9557 -7.8134 -7.8134
-5.3634 -5.3634 -4.7073 -4.7073 -1.2528 -1.2528 -1.1274 -1.1274
-0.9279 -0.9279 -0.8815 -0.8815 -0.8327 -0.8327 -0.8264 -0.8264
-0.4656 -0.4656 -0.4568 -0.4568 -0.1617 -0.1617 -0.1196 -0.1196
6.4661 6.4661 10.2097 10.2097 10.2111 10.2111 11.3580 11.3580
11.6170 11.6170
k = 0.0106 0.0125-0.0000 ( 4383 PWs) bands (ev):
-25.0012 -25.0012 -24.6896 -24.6896 -20.8163 -20.8163 -20.6242 -20.6242
-19.7908 -19.7908 -19.7890 -19.7890 -8.9818 -8.9818 -8.8065 -8.8065
-8.7712 -8.7712 -8.2156 -8.2156 -7.9558 -7.9558 -7.8135 -7.8135
-5.3634 -5.3634 -4.7073 -4.7073 -1.2525 -1.2525 -1.1273 -1.1273
-0.9287 -0.9287 -0.8815 -0.8815 -0.8325 -0.8325 -0.8262 -0.8262
-0.4656 -0.4656 -0.4568 -0.4568 -0.1617 -0.1617 -0.1196 -0.1196
6.4692 6.4692 10.2105 10.2105 10.2120 10.2120 11.3598 11.3598
11.6169 11.6169
k = 0.0213 0.0251-0.0000 ( 4391 PWs) bands (ev):
-25.0009 -25.0009 -24.6898 -24.6898 -20.8164 -20.8164 -20.6241 -20.6241
-19.7908 -19.7908 -19.7890 -19.7890 -8.9816 -8.9816 -8.8064 -8.8064
-8.7693 -8.7693 -8.2179 -8.2179 -7.9560 -7.9560 -7.8136 -7.8136
-5.3634 -5.3634 -4.7071 -4.7071 -1.2515 -1.2515 -1.1272 -1.1272
-0.9310 -0.9310 -0.8816 -0.8816 -0.8318 -0.8318 -0.8256 -0.8256
-0.4656 -0.4656 -0.4568 -0.4568 -0.1617 -0.1617 -0.1196 -0.1196
6.4786 6.4786 10.2130 10.2130 10.2145 10.2145 11.3651 11.3651
11.6166 11.6166
k = 0.0319 0.0376-0.0000 ( 4391 PWs) bands (ev):
-25.0005 -25.0005 -24.6902 -24.6902 -20.8165 -20.8165 -20.6239 -20.6239
-19.7909 -19.7909 -19.7891 -19.7891 -8.9813 -8.9813 -8.8062 -8.8062
-8.7663 -8.7663 -8.2218 -8.2218 -7.9564 -7.9564 -7.8138 -7.8138
-5.3634 -5.3634 -4.7069 -4.7069 -1.2498 -1.2498 -1.1270 -1.1270
-0.9349 -0.9349 -0.8817 -0.8817 -0.8306 -0.8306 -0.8247 -0.8247
-0.4656 -0.4656 -0.4568 -0.4568 -0.1616 -0.1616 -0.1195 -0.1195
6.4941 6.4941 10.2172 10.2172 10.2187 10.2187 11.3740 11.3740
11.6159 11.6159
k = 0.0426 0.0501-0.0000 ( 4387 PWs) bands (ev):
-24.9999 -24.9999 -24.6908 -24.6908 -20.8167 -20.8167 -20.6237 -20.6237
-19.7910 -19.7910 -19.7892 -19.7892 -8.9808 -8.9808 -8.8060 -8.8060
-8.7620 -8.7620 -8.2271 -8.2271 -7.9569 -7.9569 -7.8141 -7.8141
-5.3634 -5.3634 -4.7066 -4.7066 -1.2475 -1.2475 -1.1268 -1.1268
-0.9403 -0.9403 -0.8819 -0.8819 -0.8290 -0.8290 -0.8233 -0.8233
-0.4657 -0.4657 -0.4567 -0.4567 -0.1614 -0.1614 -0.1194 -0.1194
6.5159 6.5159 10.2231 10.2231 10.2246 10.2246 11.3863 11.3863
11.6149 11.6149
k = 0.0532 0.0626-0.0000 ( 4375 PWs) bands (ev):
-24.9992 -24.9992 -24.6915 -24.6915 -20.8169 -20.8169 -20.6233 -20.6233
-19.7911 -19.7911 -19.7893 -19.7893 -8.9802 -8.9802 -8.8056 -8.8056
-8.7565 -8.7565 -8.2338 -8.2338 -7.9575 -7.9575 -7.8144 -7.8144
-5.3634 -5.3634 -4.7062 -4.7062 -1.2445 -1.2445 -1.1265 -1.1265
-0.9472 -0.9472 -0.8821 -0.8821 -0.8269 -0.8269 -0.8216 -0.8216
-0.4657 -0.4657 -0.4567 -0.4567 -0.1612 -0.1612 -0.1193 -0.1193
6.5438 6.5438 10.2306 10.2306 10.2322 10.2322 11.4021 11.4021
11.6133 11.6133
k = 0.0638 0.0752-0.0000 ( 4375 PWs) bands (ev):
-24.9983 -24.9983 -24.6923 -24.6923 -20.8171 -20.8171 -20.6230 -20.6230
-19.7913 -19.7913 -19.7895 -19.7895 -8.9796 -8.9796 -8.8053 -8.8053
-8.7498 -8.7498 -8.2421 -8.2421 -7.9583 -7.9583 -7.8149 -7.8149
-5.3634 -5.3634 -4.7056 -4.7056 -1.2410 -1.2410 -1.1261 -1.1261
-0.9555 -0.9555 -0.8824 -0.8824 -0.8244 -0.8244 -0.8194 -0.8194
-0.4657 -0.4657 -0.4567 -0.4567 -0.1610 -0.1610 -0.1191 -0.1191
6.5776 6.5776 10.2398 10.2398 10.2415 10.2415 11.4213 11.4213
11.6110 11.6110
k = 0.0745 0.0877-0.0000 ( 4375 PWs) bands (ev):
-24.9973 -24.9973 -24.6934 -24.6934 -20.8174 -20.8174 -20.6225 -20.6225
-19.7915 -19.7915 -19.7897 -19.7897 -8.9789 -8.9789 -8.8048 -8.8048
-8.7419 -8.7419 -8.2518 -8.2518 -7.9591 -7.9591 -7.8154 -7.8154
-5.3634 -5.3634 -4.7051 -4.7051 -1.2368 -1.2368 -1.1257 -1.1257
-0.9651 -0.9651 -0.8828 -0.8828 -0.8215 -0.8215 -0.8168 -0.8168
-0.4658 -0.4658 -0.4567 -0.4567 -0.1608 -0.1608 -0.1189 -0.1189
6.6174 6.6174 10.2506 10.2506 10.2524 10.2524 11.4438 11.4438
11.6077 11.6077
k = 0.0851 0.1002-0.0000 ( 4375 PWs) bands (ev):
-24.9961 -24.9961 -24.6945 -24.6945 -20.8178 -20.8178 -20.6220 -20.6220
-19.7917 -19.7917 -19.7899 -19.7899 -8.9781 -8.9781 -8.8043 -8.8043
-8.7328 -8.7328 -8.2628 -8.2628 -7.9600 -7.9600 -7.8160 -7.8160
-5.3633 -5.3633 -4.7044 -4.7044 -1.2320 -1.2320 -1.1252 -1.1252
-0.9761 -0.9761 -0.8833 -0.8833 -0.8181 -0.8181 -0.8138 -0.8138
-0.4658 -0.4658 -0.4566 -0.4566 -0.1605 -0.1605 -0.1187 -0.1187
6.6629 6.6629 10.2631 10.2631 10.2649 10.2649 11.4695 11.4695
11.6033 11.6033
k = 0.0957 0.1127-0.0000 ( 4371 PWs) bands (ev):
-24.9948 -24.9948 -24.6958 -24.6958 -20.8181 -20.8181 -20.6214 -20.6214
-19.7920 -19.7920 -19.7901 -19.7901 -8.9773 -8.9773 -8.8038 -8.8038
-8.7226 -8.7226 -8.2752 -8.2752 -7.9610 -7.9610 -7.8166 -7.8166
-5.3633 -5.3633 -4.7036 -4.7036 -1.2267 -1.2267 -1.1246 -1.1246
-0.9883 -0.9883 -0.8839 -0.8839 -0.8143 -0.8143 -0.8104 -0.8104
-0.4659 -0.4659 -0.4566 -0.4566 -0.1602 -0.1602 -0.1185 -0.1185
6.7141 6.7141 10.2772 10.2772 10.2791 10.2791 11.4983 11.4983
11.5973 11.5973
k = 0.1064 0.1253-0.0000 ( 4371 PWs) bands (ev):
-24.9933 -24.9933 -24.6972 -24.6972 -20.8185 -20.8185 -20.6208 -20.6208
-19.7922 -19.7922 -19.7904 -19.7904 -8.9764 -8.9764 -8.8032 -8.8032
-8.7113 -8.7113 -8.2888 -8.2888 -7.9620 -7.9620 -7.8173 -7.8173
-5.3633 -5.3633 -4.7028 -4.7028 -1.2208 -1.2208 -1.1240 -1.1240
-1.0017 -1.0017 -0.8846 -0.8846 -0.8101 -0.8101 -0.8066 -0.8066
-0.4660 -0.4660 -0.4566 -0.4566 -0.1599 -0.1599 -0.1183 -0.1183
6.7707 6.7707 10.2929 10.2929 10.2949 10.2949 11.5300 11.5300
11.5895 11.5895
k = 0.1170 0.1378-0.0000 ( 4387 PWs) bands (ev):
-24.9917 -24.9917 -24.6988 -24.6988 -20.8190 -20.8190 -20.6201 -20.6201
-19.7925 -19.7925 -19.7907 -19.7907 -8.9755 -8.9755 -8.8025 -8.8025
-8.6990 -8.6990 -8.3036 -8.3036 -7.9631 -7.9631 -7.8181 -7.8181
-5.3632 -5.3632 -4.7019 -4.7019 -1.2144 -1.2144 -1.1233 -1.1233
-1.0162 -1.0162 -0.8855 -0.8855 -0.8056 -0.8056 -0.8024 -0.8024
-0.4661 -0.4661 -0.4566 -0.4566 -0.1596 -0.1596 -0.1180 -0.1180
6.8327 6.8327 10.3101 10.3101 10.3123 10.3123 11.5645 11.5645
11.5795 11.5795
k = 0.1277 0.1503-0.0000 ( 4395 PWs) bands (ev):
-24.9900 -24.9900 -24.7005 -24.7005 -20.8195 -20.8195 -20.6194 -20.6194
-19.7929 -19.7929 -19.7910 -19.7910 -8.9746 -8.9746 -8.8018 -8.8018
-8.6857 -8.6857 -8.3195 -8.3195 -7.9642 -7.9642 -7.8189 -7.8189
-5.3632 -5.3632 -4.7009 -4.7009 -1.2076 -1.2076 -1.1226 -1.1226
-1.0316 -1.0316 -0.8864 -0.8864 -0.8006 -0.8006 -0.7978 -0.7978
-0.4663 -0.4663 -0.4567 -0.4567 -0.1592 -0.1592 -0.1178 -0.1178
6.8998 6.8998 10.3290 10.3290 10.3313 10.3313 11.5670 11.5670
11.6016 11.6016
k = 0.1383 0.1628-0.0000 ( 4411 PWs) bands (ev):
-24.9882 -24.9882 -24.7023 -24.7023 -20.8200 -20.8200 -20.6186 -20.6186
-19.7932 -19.7932 -19.7914 -19.7914 -8.9738 -8.9738 -8.8011 -8.8011
-8.6714 -8.6714 -8.3365 -8.3365 -7.9652 -7.9652 -7.8198 -7.8198
-5.3632 -5.3632 -4.6999 -4.6999 -1.2003 -1.2003 -1.1218 -1.1218
-1.0479 -1.0479 -0.8875 -0.8875 -0.7954 -0.7954 -0.7929 -0.7929
-0.4664 -0.4664 -0.4567 -0.4567 -0.1589 -0.1589 -0.1176 -0.1176
6.9718 6.9718 10.3493 10.3493 10.3518 10.3518 11.5519 11.5519
11.6410 11.6410
k = 0.1489 0.1754-0.0000 ( 4411 PWs) bands (ev):
-24.9862 -24.9862 -24.7042 -24.7042 -20.8206 -20.8206 -20.6177 -20.6177
-19.7936 -19.7936 -19.7918 -19.7918 -8.9729 -8.9729 -8.8003 -8.8003
-8.6563 -8.6563 -8.3543 -8.3543 -7.9662 -7.9662 -7.8207 -7.8207
-5.3631 -5.3631 -4.6988 -4.6988 -1.1925 -1.1925 -1.1210 -1.1210
-1.0651 -1.0651 -0.8886 -0.8886 -0.7898 -0.7898 -0.7876 -0.7876
-0.4666 -0.4666 -0.4568 -0.4568 -0.1585 -0.1585 -0.1173 -0.1173
7.0486 7.0486 10.3712 10.3712 10.3738 10.3738 11.5338 11.5338
11.6828 11.6828
k = 0.1596 0.1879-0.0000 ( 4419 PWs) bands (ev):
-24.9842 -24.9842 -24.7061 -24.7061 -20.8212 -20.8212 -20.6168 -20.6168
-19.7940 -19.7940 -19.7921 -19.7921 -8.9721 -8.9721 -8.7996 -8.7996
-8.6404 -8.6404 -8.3729 -8.3729 -7.9673 -7.9673 -7.8217 -7.8217
-5.3631 -5.3631 -4.6976 -4.6976 -1.1844 -1.1844 -1.1202 -1.1202
-1.0829 -1.0829 -0.8898 -0.8898 -0.7839 -0.7839 -0.7820 -0.7820
-0.4668 -0.4668 -0.4569 -0.4569 -0.1582 -0.1582 -0.1171 -0.1171
7.1299 7.1299 10.3945 10.3945 10.3974 10.3974 11.5126 11.5126
11.7263 11.7263
k = 0.1702 0.2004-0.0000 ( 4399 PWs) bands (ev):
-24.9821 -24.9821 -24.7082 -24.7082 -20.8218 -20.8218 -20.6159 -20.6159
-19.7943 -19.7943 -19.7925 -19.7925 -8.9713 -8.9713 -8.7987 -8.7987
-8.6237 -8.6237 -8.3921 -8.3921 -7.9682 -7.9682 -7.8226 -7.8226
-5.3629 -5.3629 -4.6964 -4.6964 -1.1759 -1.1759 -1.1193 -1.1193
-1.1013 -1.1013 -0.8912 -0.8912 -0.7777 -0.7777 -0.7760 -0.7760
-0.4670 -0.4670 -0.4570 -0.4570 -0.1579 -0.1579 -0.1168 -0.1168
7.2155 7.2155 10.4194 10.4194 10.4224 10.4224 11.4884 11.4884
11.7715 11.7715
k = 0.1809 0.2129-0.0000 ( 4399 PWs) bands (ev):
-24.9799 -24.9799 -24.7103 -24.7103 -20.8224 -20.8224 -20.6149 -20.6149
-19.7948 -19.7948 -19.7929 -19.7929 -8.9706 -8.9706 -8.7978 -8.7978
-8.6066 -8.6066 -8.4119 -8.4119 -7.9691 -7.9691 -7.8236 -7.8236
-5.3628 -5.3628 -4.6951 -4.6951 -1.1671 -1.1671 -1.1203 -1.1203
-1.1183 -1.1183 -0.8926 -0.8926 -0.7712 -0.7712 -0.7698 -0.7698
-0.4673 -0.4673 -0.4571 -0.4571 -0.1576 -0.1576 -0.1166 -0.1166
7.3052 7.3052 10.4455 10.4455 10.4487 10.4487 11.4613 11.4613
11.8026 11.8026
k = 0.1915 0.2255-0.0000 ( 4395 PWs) bands (ev):
-24.9776 -24.9776 -24.7125 -24.7125 -20.8230 -20.8230 -20.6140 -20.6140
-19.7952 -19.7952 -19.7934 -19.7934 -8.9699 -8.9699 -8.7969 -8.7969
-8.5890 -8.5890 -8.4319 -8.4319 -7.9700 -7.9700 -7.8246 -7.8246
-5.3627 -5.3627 -4.6938 -4.6938 -1.1581 -1.1581 -1.1396 -1.1396
-1.1174 -1.1174 -0.8940 -0.8940 -0.7645 -0.7645 -0.7633 -0.7633
-0.4676 -0.4676 -0.4573 -0.4573 -0.1573 -0.1573 -0.1164 -0.1164
7.3988 7.3988 10.4730 10.4730 10.4764 10.4764 11.4313 11.4313
11.6677 11.6677
k = 0.2021 0.2380-0.0000 ( 4403 PWs) bands (ev):
-24.9752 -24.9752 -24.7148 -24.7148 -20.8237 -20.8237 -20.6129 -20.6129
-19.7956 -19.7956 -19.7938 -19.7938 -8.9693 -8.9693 -8.7960 -8.7960
-8.5715 -8.5715 -8.4518 -8.4518 -7.9708 -7.9708 -7.8257 -7.8257
-5.3626 -5.3626 -4.6925 -4.6925 -1.1593 -1.1593 -1.1488 -1.1488
-1.1164 -1.1164 -0.8956 -0.8956 -0.7576 -0.7576 -0.7566 -0.7566
-0.4680 -0.4680 -0.4576 -0.4576 -0.1570 -0.1570 -0.1163 -0.1163
7.4959 7.4959 10.5019 10.5019 10.5054 10.5054 11.3990 11.3990
11.5338 11.5338
k = 0.2128 0.2505-0.0000 ( 4387 PWs) bands (ev):
-24.9729 -24.9729 -24.7171 -24.7171 -20.8243 -20.8243 -20.6119 -20.6119
-19.7960 -19.7960 -19.7942 -19.7942 -8.9688 -8.9688 -8.7950 -8.7950
-8.5549 -8.5549 -8.4707 -8.4707 -7.9715 -7.9715 -7.8267 -7.8267
-5.3624 -5.3624 -4.6911 -4.6911 -1.1792 -1.1792 -1.1394 -1.1394
-1.1154 -1.1154 -0.8972 -0.8972 -0.7505 -0.7505 -0.7496 -0.7496
-0.4683 -0.4683 -0.4579 -0.4579 -0.1568 -0.1568 -0.1161 -0.1161
7.5965 7.5965 10.5319 10.5319 10.5357 10.5357 11.3646 11.3646
11.4012 11.4012
k = 0.2234 0.2631-0.0000 ( 4399 PWs) bands (ev):
-24.9704 -24.9704 -24.7194 -24.7194 -20.8250 -20.8250 -20.6108 -20.6108
-19.7965 -19.7965 -19.7947 -19.7947 -8.9684 -8.9684 -8.7941 -8.7941
-8.5420 -8.5420 -8.4857 -8.4857 -7.9722 -7.9722 -7.8277 -7.8277
-5.3622 -5.3622 -4.6897 -4.6897 -1.1992 -1.1992 -1.1298 -1.1298
-1.1143 -1.1143 -0.8988 -0.8988 -0.7432 -0.7432 -0.7425 -0.7425
-0.4688 -0.4688 -0.4582 -0.4582 -0.1567 -0.1567 -0.1161 -0.1161
7.7001 7.7001 10.5631 10.5631 10.5671 10.5671 11.2704 11.2704
11.3284 11.3284
k = 0.2340 0.2756-0.0000 ( 4407 PWs) bands (ev):
-24.9680 -24.9680 -24.7218 -24.7218 -20.8257 -20.8257 -20.6098 -20.6098
-19.7970 -19.7970 -19.7951 -19.7951 -8.9681 -8.9681 -8.7932 -8.7932
-8.5408 -8.5408 -8.4888 -8.4888 -7.9727 -7.9727 -7.8287 -7.8287
-5.3621 -5.3621 -4.6883 -4.6883 -1.2192 -1.2192 -1.1202 -1.1202
-1.1133 -1.1133 -0.9005 -0.9005 -0.7358 -0.7358 -0.7352 -0.7352
-0.4693 -0.4693 -0.4586 -0.4586 -0.1566 -0.1566 -0.1160 -0.1160
7.8066 7.8066 10.5954 10.5954 10.5996 10.5996 11.1417 11.1417
11.2910 11.2910
k = 0.2447 0.2881-0.0000 ( 4398 PWs) bands (ev):
-24.9655 -24.9655 -24.7242 -24.7242 -20.8264 -20.8264 -20.6087 -20.6087
-19.7974 -19.7974 -19.7956 -19.7956 -8.9679 -8.9679 -8.7922 -8.7922
-8.5535 -8.5535 -8.4777 -8.4777 -7.9732 -7.9732 -7.8297 -7.8297
-5.3619 -5.3619 -4.6869 -4.6869 -1.2392 -1.2392 -1.1126 -1.1126
-1.1101 -1.1101 -0.9022 -0.9022 -0.7282 -0.7282 -0.7277 -0.7277
-0.4698 -0.4698 -0.4591 -0.4591 -0.1565 -0.1565 -0.1160 -0.1160
7.9157 7.9157 10.6287 10.6287 10.6332 10.6332 11.0156 11.0156
11.2526 11.2526
k = 0.2553 0.3006-0.0000 ( 4406 PWs) bands (ev):
-24.9630 -24.9630 -24.7266 -24.7266 -20.8271 -20.8271 -20.6076 -20.6076
-19.7979 -19.7979 -19.7961 -19.7961 -8.9678 -8.9678 -8.7913 -8.7913
-8.5718 -8.5718 -8.4609 -8.4609 -7.9735 -7.9735 -7.8308 -7.8308
-5.3617 -5.3617 -4.6855 -4.6855 -1.2591 -1.2591 -1.1113 -1.1113
-1.1006 -1.1006 -0.9039 -0.9039 -0.7206 -0.7206 -0.7202 -0.7202
-0.4704 -0.4704 -0.4596 -0.4596 -0.1566 -0.1566 -0.1161 -0.1161
8.0272 8.0272 10.6630 10.6630 10.6676 10.6676 10.8924 10.8924
11.2137 11.2137
k = 0.2660 0.3132-0.0000 ( 4398 PWs) bands (ev):
-24.9605 -24.9605 -24.7290 -24.7290 -20.8278 -20.8278 -20.6065 -20.6065
-19.7983 -19.7983 -19.7965 -19.7965 -8.9679 -8.9679 -8.7903 -8.7903
-8.5916 -8.5916 -8.4423 -8.4423 -7.9738 -7.9738 -7.8318 -7.8318
-5.3615 -5.3615 -4.6840 -4.6840 -1.2787 -1.2787 -1.1103 -1.1103
-1.0910 -1.0910 -0.9057 -0.9057 -0.7129 -0.7129 -0.7125 -0.7125
-0.4711 -0.4711 -0.4602 -0.4602 -0.1566 -0.1566 -0.1162 -0.1162
8.1408 8.1408 10.6979 10.6979 10.7029 10.7029 10.7724 10.7724
11.1747 11.1747
k = 0.2766 0.3257-0.0000 ( 4398 PWs) bands (ev):
-24.9580 -24.9580 -24.7313 -24.7313 -20.8285 -20.8285 -20.6055 -20.6055
-19.7988 -19.7988 -19.7970 -19.7970 -8.9682 -8.9682 -8.7894 -8.7894
-8.6118 -8.6118 -8.4231 -8.4231 -7.9738 -7.9738 -7.8327 -7.8327
-5.3613 -5.3613 -4.6826 -4.6826 -1.2980 -1.2980 -1.1092 -1.1092
-1.0814 -1.0814 -0.9074 -0.9074 -0.7052 -0.7052 -0.7048 -0.7048
-0.4718 -0.4718 -0.4608 -0.4608 -0.1568 -0.1568 -0.1163 -0.1163
8.2561 8.2561 10.6552 10.6552 10.7342 10.7342 10.7390 10.7390
11.1357 11.1357
k = 0.2872 0.3382-0.0000 ( 4390 PWs) bands (ev):
-24.9556 -24.9556 -24.7336 -24.7336 -20.8291 -20.8291 -20.6044 -20.6044
-19.7992 -19.7992 -19.7974 -19.7974 -8.9686 -8.9686 -8.7885 -8.7885
-8.6317 -8.6317 -8.4039 -8.4039 -7.9738 -7.9738 -7.8337 -7.8337
-5.3610 -5.3610 -4.6812 -4.6812 -1.3169 -1.3169 -1.1082 -1.1082
-1.0719 -1.0719 -0.9091 -0.9091 -0.6974 -0.6974 -0.6971 -0.6971
-0.4726 -0.4726 -0.4616 -0.4616 -0.1570 -0.1570 -0.1165 -0.1165
8.3730 8.3730 10.5423 10.5423 10.7705 10.7705 10.7756 10.7756
11.0972 11.0972
k = 0.2979 0.3507-0.0000 ( 4394 PWs) bands (ev):
-24.9532 -24.9532 -24.7359 -24.7359 -20.8298 -20.8298 -20.6034 -20.6034
-19.7997 -19.7997 -19.7979 -19.7979 -8.9693 -8.9693 -8.7876 -8.7876
-8.6512 -8.6512 -8.3848 -8.3848 -7.9736 -7.9736 -7.8346 -7.8346
-5.3608 -5.3608 -4.6799 -4.6799 -1.3353 -1.3353 -1.1072 -1.1072
-1.0625 -1.0625 -0.9109 -0.9109 -0.6897 -0.6897 -0.6894 -0.6894
-0.4734 -0.4734 -0.4624 -0.4624 -0.1572 -0.1572 -0.1167 -0.1167
8.4911 8.4911 10.4332 10.4332 10.8074 10.8074 10.8128 10.8128
11.0594 11.0594
k = 0.3085 0.3633-0.0000 ( 4394 PWs) bands (ev):
-24.9508 -24.9508 -24.7382 -24.7382 -20.8305 -20.8305 -20.6024 -20.6024
-19.8001 -19.8001 -19.7983 -19.7983 -8.9702 -8.9702 -8.7868 -8.7868
-8.6702 -8.6702 -8.3660 -8.3660 -7.9733 -7.9733 -7.8355 -7.8355
-5.3605 -5.3605 -4.6785 -4.6785 -1.3532 -1.3532 -1.1062 -1.1062
-1.0534 -1.0534 -0.9125 -0.9125 -0.6820 -0.6820 -0.6817 -0.6817
-0.4743 -0.4743 -0.4633 -0.4633 -0.1576 -0.1576 -0.1170 -0.1170
8.6102 8.6102 10.3284 10.3284 10.8447 10.8447 10.8502 10.8502
11.0224 11.0224
k = 0.3191 0.3758-0.0000 ( 4394 PWs) bands (ev):
-24.9485 -24.9485 -24.7404 -24.7404 -20.8311 -20.8311 -20.6014 -20.6014
-19.8005 -19.8005 -19.7987 -19.7987 -8.9714 -8.9714 -8.7859 -8.7859
-8.6884 -8.6884 -8.3476 -8.3476 -7.9728 -7.9728 -7.8363 -7.8363
-5.3603 -5.3603 -4.6772 -4.6772 -1.3706 -1.3706 -1.1053 -1.1053
-1.0445 -1.0445 -0.9142 -0.9142 -0.6743 -0.6743 -0.6740 -0.6740
-0.4753 -0.4753 -0.4642 -0.4642 -0.1579 -0.1579 -0.1174 -0.1174
8.7298 8.7298 10.2279 10.2279 10.8822 10.8822 10.8879 10.8879
10.9866 10.9866
k = 0.3298 0.3883-0.0000 ( 4398 PWs) bands (ev):
-24.9463 -24.9463 -24.7425 -24.7425 -20.8317 -20.8317 -20.6004 -20.6004
-19.8010 -19.8010 -19.7991 -19.7991 -8.9728 -8.9728 -8.7851 -8.7851
-8.7057 -8.7057 -8.3299 -8.3299 -7.9721 -7.9721 -7.8372 -7.8372
-5.3601 -5.3601 -4.6760 -4.6760 -1.3873 -1.3873 -1.1044 -1.1044
-1.0359 -1.0359 -0.9158 -0.9158 -0.6668 -0.6668 -0.6665 -0.6665
-0.4763 -0.4763 -0.4653 -0.4653 -0.1584 -0.1584 -0.1178 -0.1178
8.8498 8.8498 10.1321 10.1321 10.9198 10.9198 10.9256 10.9256
10.9521 10.9521
k = 0.3404 0.4008-0.0000 ( 4390 PWs) bands (ev):
-24.9441 -24.9441 -24.7445 -24.7445 -20.8323 -20.8323 -20.5995 -20.5995
-19.8014 -19.8014 -19.7995 -19.7995 -8.9744 -8.9744 -8.7844 -8.7844
-8.7221 -8.7221 -8.3129 -8.3129 -7.9713 -7.9713 -7.8379 -7.8379
-5.3598 -5.3598 -4.6747 -4.6747 -1.4032 -1.4032 -1.1035 -1.1035
-1.0277 -1.0277 -0.9174 -0.9174 -0.6594 -0.6594 -0.6591 -0.6591
-0.4774 -0.4774 -0.4664 -0.4664 -0.1589 -0.1589 -0.1182 -0.1182
8.9697 8.9697 10.0410 10.0410 10.9190 10.9190 10.9573 10.9573
10.9633 10.9633
k = 0.3511 0.4134-0.0000 ( 4390 PWs) bands (ev):
-24.9420 -24.9420 -24.7465 -24.7465 -20.8329 -20.8329 -20.5986 -20.5986
-19.8017 -19.8017 -19.7999 -19.7999 -8.9764 -8.9764 -8.7836 -8.7836
-8.7374 -8.7374 -8.2967 -8.2967 -7.9703 -7.9703 -7.8386 -7.8386
-5.3596 -5.3596 -4.6736 -4.6736 -1.4184 -1.4184 -1.1026 -1.1026
-1.0197 -1.0197 -0.9188 -0.9188 -0.6522 -0.6522 -0.6519 -0.6519
-0.4785 -0.4785 -0.4675 -0.4675 -0.1594 -0.1594 -0.1186 -0.1186
9.0892 9.0892 9.9550 9.9550 10.8876 10.8876 10.9944 10.9944
11.0006 11.0006
k = 0.3617 0.4259-0.0000 ( 4374 PWs) bands (ev):
-24.9400 -24.9400 -24.7483 -24.7483 -20.8334 -20.8334 -20.5977 -20.5977
-19.8021 -19.8021 -19.8003 -19.8003 -8.9786 -8.9786 -8.7829 -8.7829
-8.7515 -8.7515 -8.2813 -8.2813 -7.9691 -7.9691 -7.8393 -7.8393
-5.3593 -5.3593 -4.6724 -4.6724 -1.4328 -1.4328 -1.1018 -1.1018
-1.0122 -1.0122 -0.9203 -0.9203 -0.6452 -0.6452 -0.6448 -0.6448
-0.4797 -0.4797 -0.4687 -0.4687 -0.1600 -0.1600 -0.1191 -0.1191
9.2078 9.2078 9.8741 9.8741 10.8578 10.8578 11.0312 11.0312
11.0374 11.0374
k = 0.3723 0.4384-0.0000 ( 4382 PWs) bands (ev):
-24.9382 -24.9382 -24.7501 -24.7501 -20.8339 -20.8339 -20.5969 -20.5969
-19.8024 -19.8024 -19.8006 -19.8006 -8.9811 -8.9811 -8.7823 -8.7823
-8.7645 -8.7645 -8.2670 -8.2670 -7.9678 -7.9678 -7.8399 -7.8399
-5.3591 -5.3591 -4.6714 -4.6714 -1.4463 -1.4463 -1.1010 -1.1010
-1.0051 -1.0051 -0.9216 -0.9216 -0.6384 -0.6384 -0.6380 -0.6380
-0.4810 -0.4810 -0.4700 -0.4700 -0.1606 -0.1606 -0.1196 -0.1196
9.3251 9.3251 9.7986 9.7986 10.8299 10.8299 11.0673 11.0673
11.0735 11.0735
k = 0.3830 0.4509-0.0000 ( 4382 PWs) bands (ev):
-24.9364 -24.9364 -24.7517 -24.7517 -20.8344 -20.8344 -20.5962 -20.5962
-19.8028 -19.8028 -19.8009 -19.8009 -8.9838 -8.9838 -8.7817 -8.7817
-8.7762 -8.7762 -8.2537 -8.2537 -7.9663 -7.9663 -7.8405 -7.8405
-5.3588 -5.3588 -4.6704 -4.6704 -1.4589 -1.4589 -1.1003 -1.1003
-0.9985 -0.9985 -0.9229 -0.9229 -0.6319 -0.6319 -0.6315 -0.6315
-0.4823 -0.4823 -0.4714 -0.4714 -0.1612 -0.1612 -0.1201 -0.1201
9.4406 9.4406 9.7285 9.7285 10.8039 10.8039 11.1025 11.1025
11.1087 11.1087
k = 0.3936 0.4635-0.0000 ( 4406 PWs) bands (ev):
-24.9348 -24.9348 -24.7533 -24.7533 -20.8349 -20.8349 -20.5955 -20.5955
-19.8031 -19.8031 -19.8012 -19.8012 -8.9868 -8.9868 -8.7868 -8.7868
-8.7811 -8.7811 -8.2415 -8.2415 -7.9648 -7.9648 -7.8411 -7.8411
-5.3586 -5.3586 -4.6695 -4.6695 -1.4706 -1.4706 -1.0996 -1.0996
-0.9923 -0.9923 -0.9241 -0.9241 -0.6257 -0.6257 -0.6253 -0.6253
-0.4836 -0.4836 -0.4727 -0.4727 -0.1618 -0.1618 -0.1206 -0.1206
9.5536 9.5536 9.6640 9.6640 10.7799 10.7799 11.1367 11.1367
11.1428 11.1428
k = 0.4043 0.4760-0.0000 ( 4398 PWs) bands (ev):
-24.9333 -24.9333 -24.7547 -24.7547 -20.8353 -20.8353 -20.5949 -20.5949
-19.8033 -19.8033 -19.8015 -19.8015 -8.9898 -8.9898 -8.7960 -8.7960
-8.7806 -8.7806 -8.2304 -8.2304 -7.9632 -7.9632 -7.8416 -7.8416
-5.3584 -5.3584 -4.6686 -4.6686 -1.4812 -1.4812 -1.0990 -1.0990
-0.9867 -0.9867 -0.9252 -0.9252 -0.6198 -0.6198 -0.6195 -0.6195
-0.4850 -0.4850 -0.4741 -0.4741 -0.1624 -0.1624 -0.1211 -0.1211
9.6053 9.6053 9.6633 9.6633 10.7580 10.7580 11.1697 11.1697
11.1756 11.1756
k = 0.4149 0.4885-0.0000 ( 4390 PWs) bands (ev):
-24.9320 -24.9320 -24.7559 -24.7559 -20.8357 -20.8357 -20.5943 -20.5943
-19.8036 -19.8036 -19.8017 -19.8017 -8.9928 -8.9928 -8.8041 -8.8041
-8.7802 -8.7802 -8.2205 -8.2205 -7.9615 -7.9615 -7.8420 -7.8420
-5.3582 -5.3582 -4.6678 -4.6678 -1.4908 -1.4908 -1.0985 -1.0985
-0.9815 -0.9815 -0.9262 -0.9262 -0.6143 -0.6143 -0.6140 -0.6140
-0.4863 -0.4863 -0.4755 -0.4755 -0.1630 -0.1630 -0.1215 -0.1215
9.5525 9.5525 9.7690 9.7690 10.7382 10.7382 11.2011 11.2011
11.2069 11.2069
k = 0.4255 0.5011-0.0000 ( 4386 PWs) bands (ev):
-24.9307 -24.9307 -24.7571 -24.7571 -20.8360 -20.8360 -20.5938 -20.5938
-19.8038 -19.8038 -19.8020 -19.8020 -8.9959 -8.9959 -8.8110 -8.8110
-8.7798 -8.7798 -8.2117 -8.2117 -7.9599 -7.9599 -7.8424 -7.8424
-5.3580 -5.3580 -4.6672 -4.6672 -1.4993 -1.4993 -1.0980 -1.0980
-0.9770 -0.9770 -0.9271 -0.9271 -0.6093 -0.6093 -0.6090 -0.6090
-0.4876 -0.4876 -0.4768 -0.4768 -0.1635 -0.1635 -0.1220 -0.1220
9.5056 9.5056 9.8695 9.8695 10.7207 10.7207 11.2308 11.2308
11.2363 11.2363
k = 0.4362 0.5136-0.0000 ( 4386 PWs) bands (ev):
-24.9297 -24.9297 -24.7581 -24.7581 -20.8363 -20.8363 -20.5933 -20.5933
-19.8040 -19.8040 -19.8022 -19.8022 -8.9987 -8.9987 -8.8169 -8.8169
-8.7794 -8.7794 -8.2042 -8.2042 -7.9583 -7.9583 -7.8427 -7.8427
-5.3579 -5.3579 -4.6666 -4.6666 -1.5068 -1.5068 -1.0975 -1.0975
-0.9730 -0.9730 -0.9279 -0.9279 -0.6049 -0.6049 -0.6045 -0.6045
-0.4889 -0.4889 -0.4781 -0.4781 -0.1640 -0.1640 -0.1224 -0.1224
9.4648 9.4648 9.9635 9.9635 10.7053 10.7053 11.2584 11.2584
11.2636 11.2636
k = 0.4468 0.5261-0.0000 ( 4394 PWs) bands (ev):
-24.9288 -24.9288 -24.7589 -24.7589 -20.8365 -20.8365 -20.5929 -20.5929
-19.8042 -19.8042 -19.8023 -19.8023 -9.0014 -9.0014 -8.8217 -8.8217
-8.7791 -8.7791 -8.1978 -8.1978 -7.9569 -7.9569 -7.8430 -7.8430
-5.3578 -5.3578 -4.6660 -4.6660 -1.5131 -1.5131 -1.0972 -1.0972
-0.9696 -0.9696 -0.9285 -0.9285 -0.6009 -0.6009 -0.6005 -0.6005
-0.4900 -0.4900 -0.4793 -0.4793 -0.1645 -0.1645 -0.1227 -0.1227
9.4302 9.4302 10.0492 10.0492 10.6923 10.6923 11.2837 11.2837
11.2884 11.2884
k = 0.4574 0.5386-0.0000 ( 4394 PWs) bands (ev):
-24.9280 -24.9280 -24.7596 -24.7596 -20.8367 -20.8367 -20.5926 -20.5926
-19.8043 -19.8043 -19.8025 -19.8025 -9.0037 -9.0037 -8.8255 -8.8255
-8.7789 -8.7789 -8.1926 -8.1926 -7.9556 -7.9556 -7.8432 -7.8432
-5.3577 -5.3577 -4.6656 -4.6656 -1.5184 -1.5184 -1.0968 -1.0968
-0.9668 -0.9668 -0.9291 -0.9291 -0.5976 -0.5976 -0.5972 -0.5972
-0.4911 -0.4911 -0.4803 -0.4803 -0.1648 -0.1648 -0.1230 -0.1230
9.4017 9.4017 10.1246 10.1246 10.6816 10.6816 11.3061 11.3061
11.3103 11.3103
k = 0.4681 0.5512-0.0000 ( 4390 PWs) bands (ev):
-24.9274 -24.9274 -24.7602 -24.7602 -20.8369 -20.8369 -20.5924 -20.5924
-19.8044 -19.8044 -19.8026 -19.8026 -9.0055 -9.0055 -8.8284 -8.8284
-8.7787 -8.7787 -8.1886 -8.1886 -7.9546 -7.9546 -7.8434 -7.8434
-5.3576 -5.3576 -4.6653 -4.6653 -1.5224 -1.5224 -1.0966 -1.0966
-0.9645 -0.9645 -0.9295 -0.9295 -0.5950 -0.5950 -0.5945 -0.5945
-0.4919 -0.4919 -0.4812 -0.4812 -0.1651 -0.1651 -0.1233 -0.1233
9.3795 9.3795 10.1874 10.1874 10.6733 10.6733 11.3250 11.3250
11.3287 11.3287
k = 0.4787 0.5637-0.0000 ( 4382 PWs) bands (ev):
-24.9270 -24.9270 -24.7605 -24.7605 -20.8370 -20.8370 -20.5922 -20.5922
-19.8045 -19.8045 -19.8026 -19.8026 -9.0069 -9.0069 -8.8304 -8.8304
-8.7785 -8.7785 -8.1858 -8.1858 -7.9538 -7.9538 -7.8435 -7.8435
-5.3575 -5.3575 -4.6650 -4.6650 -1.5254 -1.5254 -1.0964 -1.0964
-0.9630 -0.9630 -0.9298 -0.9298 -0.5931 -0.5931 -0.5926 -0.5926
-0.4926 -0.4926 -0.4818 -0.4818 -0.1654 -0.1654 -0.1234 -0.1234
9.3637 9.3637 10.2349 10.2349 10.6673 10.6673 11.3397 11.3397
11.3428 11.3428
k = 0.4894 0.5762-0.0000 ( 4394 PWs) bands (ev):
-24.9268 -24.9268 -24.7608 -24.7608 -20.8371 -20.8371 -20.5921 -20.5921
-19.8045 -19.8045 -19.8027 -19.8027 -9.0078 -9.0078 -8.8316 -8.8316
-8.7784 -8.7784 -8.1841 -8.1841 -7.9533 -7.9533 -7.8436 -7.8436
-5.3575 -5.3575 -4.6649 -4.6649 -1.5271 -1.5271 -1.0963 -1.0963
-0.9621 -0.9621 -0.9300 -0.9300 -0.5919 -0.5919 -0.5914 -0.5914
-0.4930 -0.4930 -0.4822 -0.4822 -0.1655 -0.1655 -0.1236 -0.1236
9.3541 9.3541 10.2646 10.2646 10.6637 10.6637 11.3491 11.3491
11.3518 11.3518
k = 0.5000 0.5887-0.0000 ( 4406 PWs) bands (ev):
-24.9267 -24.9267 -24.7609 -24.7609 -20.8371 -20.8371 -20.5920 -20.5920
-19.8045 -19.8045 -19.8027 -19.8027 -9.0081 -9.0081 -8.8320 -8.8320
-8.7784 -8.7784 -8.1836 -8.1836 -7.9532 -7.9532 -7.8437 -7.8437
-5.3575 -5.3575 -4.6648 -4.6648 -1.5277 -1.5277 -1.0963 -1.0963
-0.9618 -0.9618 -0.9301 -0.9301 -0.5915 -0.5915 -0.5910 -0.5910
-0.4931 -0.4931 -0.4823 -0.4823 -0.1656 -0.1656 -0.1236 -0.1236
9.3509 9.3509 10.2748 10.2748 10.6625 10.6625 11.3523 11.3523
11.3549 11.3549
k = 0.5000 0.5887-0.0000 ( 4406 PWs) bands (ev):
-24.9267 -24.9267 -24.7609 -24.7609 -20.8371 -20.8371 -20.5920 -20.5920
-19.8045 -19.8045 -19.8027 -19.8027 -9.0081 -9.0081 -8.8320 -8.8320
-8.7784 -8.7784 -8.1836 -8.1836 -7.9532 -7.9532 -7.8437 -7.8437
-5.3575 -5.3575 -4.6648 -4.6648 -1.5277 -1.5277 -1.0963 -1.0963
-0.9618 -0.9618 -0.9301 -0.9301 -0.5915 -0.5915 -0.5910 -0.5910
-0.4931 -0.4931 -0.4823 -0.4823 -0.1656 -0.1656 -0.1236 -0.1236
9.3509 9.3509 10.2748 10.2748 10.6625 10.6625 11.3523 11.3523
11.3549 11.3549
k = 0.4915 0.5960 0.0112 ( 4396 PWs) bands (ev):
-24.9265 -24.9265 -24.7610 -24.7610 -20.8374 -20.8374 -20.5927 -20.5927
-19.8040 -19.8040 -19.8022 -19.8022 -9.0078 -9.0078 -8.8318 -8.8318
-8.7780 -8.7780 -8.1838 -8.1838 -7.9540 -7.9540 -7.8447 -7.8447
-5.3562 -5.3562 -4.6643 -4.6643 -1.5278 -1.5278 -1.0960 -1.0960
-0.9620 -0.9620 -0.9312 -0.9312 -0.5915 -0.5915 -0.5910 -0.5910
-0.4929 -0.4929 -0.4820 -0.4820 -0.1658 -0.1658 -0.1240 -0.1240
9.3482 9.3482 10.2745 10.2745 10.6598 10.6598 11.3517 11.3517
11.3557 11.3557
k = 0.4830 0.6032 0.0224 ( 4388 PWs) bands (ev):
-24.9259 -24.9259 -24.7615 -24.7615 -20.8382 -20.8382 -20.5946 -20.5946
-19.8025 -19.8025 -19.8007 -19.8007 -9.0069 -9.0069 -8.8311 -8.8311
-8.7767 -8.7767 -8.1846 -8.1846 -7.9562 -7.9562 -7.8477 -7.8477
-5.3526 -5.3526 -4.6629 -4.6629 -1.5281 -1.5281 -1.0952 -1.0952
-0.9627 -0.9627 -0.9344 -0.9344 -0.5913 -0.5913 -0.5907 -0.5907
-0.4929 -0.4929 -0.4806 -0.4806 -0.1667 -0.1667 -0.1252 -0.1252
9.3401 9.3401 10.2736 10.2736 10.6519 10.6519 11.3479 11.3479
11.3602 11.3602
k = 0.4744 0.6104 0.0335 ( 4388 PWs) bands (ev):
-24.9250 -24.9250 -24.7622 -24.7622 -20.8395 -20.8395 -20.5978 -20.5978
-19.8001 -19.8001 -19.7982 -19.7982 -9.0056 -9.0056 -8.8300 -8.8300
-8.7745 -8.7745 -8.1859 -8.1859 -7.9600 -7.9600 -7.8528 -7.8528
-5.3466 -5.3466 -4.6606 -4.6606 -1.5287 -1.5287 -1.0938 -1.0938
-0.9640 -0.9640 -0.9396 -0.9396 -0.5912 -0.5912 -0.5902 -0.5902
-0.4937 -0.4937 -0.4776 -0.4776 -0.1682 -0.1682 -0.1271 -0.1271
9.3264 9.3264 10.2721 10.2721 10.6398 10.6398 11.3412 11.3412
11.3681 11.3681
k = 0.4659 0.6177 0.0447 ( 4392 PWs) bands (ev):
-24.9237 -24.9237 -24.7632 -24.7632 -20.8413 -20.8413 -20.6023 -20.6023
-19.7968 -19.7968 -19.7948 -19.7948 -9.0037 -9.0037 -8.8284 -8.8284
-8.7715 -8.7715 -8.1878 -8.1878 -7.9653 -7.9653 -7.8597 -7.8597
-5.3382 -5.3382 -4.6574 -4.6574 -1.5294 -1.5294 -1.0920 -1.0920
-0.9661 -0.9661 -0.9462 -0.9462 -0.5912 -0.5912 -0.5895 -0.5895
-0.4956 -0.4956 -0.4729 -0.4729 -0.1701 -0.1701 -0.1298 -0.1298
9.3070 9.3070 10.2701 10.2701 10.6248 10.6248 11.3317 11.3317
11.3792 11.3792
k = 0.4574 0.6249 0.0559 ( 4392 PWs) bands (ev):
-24.9220 -24.9220 -24.7646 -24.7646 -20.8436 -20.8436 -20.6078 -20.6078
-19.7927 -19.7927 -19.7904 -19.7904 -9.0012 -9.0012 -8.8265 -8.8265
-8.7674 -8.7674 -8.1903 -8.1903 -7.9720 -7.9720 -7.8685 -7.8685
-5.3276 -5.3276 -4.6534 -4.6534 -1.5303 -1.5303 -1.0898 -1.0898
-0.9694 -0.9694 -0.9536 -0.9536 -0.5911 -0.5911 -0.5885 -0.5885
-0.4985 -0.4985 -0.4667 -0.4667 -0.1726 -0.1726 -0.1331 -0.1331
9.2819 9.2819 10.2676 10.2676 10.6085 10.6085 11.3197 11.3197
11.3933 11.3933
k = 0.4489 0.6322 0.0671 ( 4394 PWs) bands (ev):
-24.9200 -24.9200 -24.7662 -24.7662 -20.8463 -20.8463 -20.6145 -20.6145
-19.7878 -19.7878 -19.7852 -19.7852 -8.9983 -8.9983 -8.8242 -8.8242
-8.7624 -8.7624 -8.1935 -8.1935 -7.9800 -7.9800 -7.8789 -7.8789
-5.3147 -5.3147 -4.6488 -4.6488 -1.5314 -1.5314 -1.0871 -1.0871
-0.9753 -0.9753 -0.9600 -0.9600 -0.5911 -0.5911 -0.5873 -0.5873
-0.5023 -0.5023 -0.4597 -0.4597 -0.1754 -0.1754 -0.1370 -0.1370
9.2511 9.2511 10.2646 10.2646 10.5923 10.5923 11.3053 11.3053
11.4104 11.4104
k = 0.4403 0.6394 0.0783 ( 4398 PWs) bands (ev):
-24.9177 -24.9177 -24.7681 -24.7681 -20.8493 -20.8493 -20.6221 -20.6221
-19.7823 -19.7823 -19.7792 -19.7792 -8.9949 -8.9949 -8.8214 -8.8214
-8.7563 -8.7563 -8.1975 -8.1975 -7.9893 -7.9893 -7.8909 -7.8909
-5.2997 -5.2997 -4.6437 -4.6437 -1.5326 -1.5326 -1.0842 -1.0842
-0.9845 -0.9845 -0.9647 -0.9647 -0.5910 -0.5910 -0.5860 -0.5860
-0.5066 -0.5066 -0.4521 -0.4521 -0.1786 -0.1786 -0.1414 -0.1414
9.2145 9.2145 10.2614 10.2614 10.5774 10.5774 11.2886 11.2886
11.4304 11.4304
k = 0.4318 0.6466 0.0894 ( 4414 PWs) bands (ev):
-24.9149 -24.9149 -24.7703 -24.7703 -20.8526 -20.8526 -20.6305 -20.6305
-19.7762 -19.7762 -19.7726 -19.7726 -8.9911 -8.9911 -8.8184 -8.8184
-8.7491 -8.7491 -8.2025 -8.2025 -7.9997 -7.9997 -7.9042 -7.9042
-5.2827 -5.2827 -4.6382 -4.6382 -1.5339 -1.5339 -1.0811 -1.0811
-0.9958 -0.9958 -0.9683 -0.9683 -0.5911 -0.5911 -0.5846 -0.5846
-0.5116 -0.5116 -0.4442 -0.4442 -0.1821 -0.1821 -0.1462 -0.1462
9.1722 9.1722 10.2578 10.2578 10.5649 10.5649 11.2697 11.2697
11.4532 11.4532
k = 0.4233 0.6539 0.1006 ( 4426 PWs) bands (ev):
-24.9119 -24.9119 -24.7728 -24.7728 -20.8561 -20.8561 -20.6397 -20.6397
-19.7695 -19.7695 -19.7655 -19.7655 -8.9869 -8.9869 -8.8149 -8.8149
-8.7408 -8.7408 -8.2085 -8.2085 -8.0110 -8.0110 -7.9188 -7.9188
-5.2639 -5.2639 -4.6325 -4.6325 -1.5352 -1.5352 -1.0779 -1.0779
-1.0083 -1.0083 -0.9715 -0.9715 -0.5912 -0.5912 -0.5830 -0.5830
-0.5170 -0.5170 -0.4365 -0.4365 -0.1857 -0.1857 -0.1514 -0.1514
9.1245 9.1245 10.2540 10.2540 10.5556 10.5556 11.2488 11.2488
11.4786 11.4786
k = 0.4233 0.6539 0.1006 ( 4426 PWs) bands (ev):
-24.9119 -24.9119 -24.7728 -24.7728 -20.8561 -20.8561 -20.6397 -20.6397
-19.7695 -19.7695 -19.7655 -19.7655 -8.9869 -8.9869 -8.8149 -8.8149
-8.7408 -8.7408 -8.2085 -8.2085 -8.0110 -8.0110 -7.9188 -7.9188
-5.2639 -5.2639 -4.6325 -4.6325 -1.5352 -1.5352 -1.0779 -1.0779
-1.0083 -1.0083 -0.9715 -0.9715 -0.5912 -0.5912 -0.5830 -0.5830
-0.5170 -0.5170 -0.4365 -0.4365 -0.1857 -0.1857 -0.1514 -0.1514
9.1245 9.1245 10.2540 10.2540 10.5556 10.5556 11.2488 11.2488
11.4786 11.4786
k = 0.4097 0.6491 0.1080 ( 4423 PWs) bands (ev):
-24.9098 -24.9098 -24.7746 -24.7746 -20.8584 -20.8584 -20.6461 -20.6461
-19.7649 -19.7649 -19.7605 -19.7605 -8.9837 -8.9837 -8.8123 -8.8123
-8.7347 -8.7347 -8.2133 -8.2133 -8.0191 -8.0191 -7.9289 -7.9289
-5.2505 -5.2505 -4.6288 -4.6288 -1.5358 -1.5358 -1.0758 -1.0758
-1.0168 -1.0168 -0.9737 -0.9737 -0.5914 -0.5914 -0.5822 -0.5822
-0.5206 -0.5206 -0.4315 -0.4315 -0.1880 -0.1880 -0.1549 -0.1549
9.0920 9.0920 10.2468 10.2468 10.5520 10.5520 11.2347 11.2347
11.4911 11.4911
k = 0.3960 0.6444 0.1153 ( 4416 PWs) bands (ev):
-24.9076 -24.9076 -24.7764 -24.7764 -20.8608 -20.8608 -20.6528 -20.6528
-19.7601 -19.7601 -19.7554 -19.7554 -8.9800 -8.9800 -8.8090 -8.8090
-8.7281 -8.7281 -8.2192 -8.2192 -8.0277 -8.0277 -7.9394 -7.9394
-5.2364 -5.2364 -4.6251 -4.6251 -1.5358 -1.5358 -1.0737 -1.0737
-1.0255 -1.0255 -0.9763 -0.9763 -0.5920 -0.5920 -0.5818 -0.5818
-0.5240 -0.5240 -0.4267 -0.4267 -0.1903 -0.1903 -0.1584 -0.1584
9.0608 9.0608 10.2309 10.2309 10.5513 10.5513 11.2211 11.2211
11.4924 11.4924
k = 0.3823 0.6396 0.1226 ( 4416 PWs) bands (ev):
-24.9054 -24.9054 -24.7782 -24.7782 -20.8631 -20.8631 -20.6598 -20.6598
-19.7551 -19.7551 -19.7502 -19.7502 -8.9756 -8.9756 -8.8053 -8.8053
-8.7210 -8.7210 -8.2260 -8.2260 -8.0370 -8.0370 -7.9503 -7.9503
-5.2217 -5.2217 -4.6215 -4.6215 -1.5350 -1.5350 -1.0718 -1.0718
-1.0342 -1.0342 -0.9793 -0.9793 -0.5927 -0.5927 -0.5819 -0.5819
-0.5274 -0.5274 -0.4222 -0.4222 -0.1926 -0.1926 -0.1619 -0.1619
9.0307 9.0307 10.2074 10.2074 10.5537 10.5537 11.2083 11.2083
11.4858 11.4858
k = 0.3687 0.6349 0.1300 ( 4416 PWs) bands (ev):
-24.9031 -24.9031 -24.7800 -24.7800 -20.8654 -20.8654 -20.6670 -20.6670
-19.7500 -19.7500 -19.7449 -19.7449 -8.9707 -8.9707 -8.8011 -8.8011
-8.7134 -8.7134 -8.2339 -8.2339 -8.0469 -8.0469 -7.9615 -7.9615
-5.2064 -5.2064 -4.6182 -4.6182 -1.5336 -1.5336 -1.0701 -1.0701
-1.0429 -1.0429 -0.9827 -0.9827 -0.5938 -0.5938 -0.5824 -0.5824
-0.5305 -0.5305 -0.4180 -0.4180 -0.1947 -0.1947 -0.1654 -0.1654
9.0019 9.0019 10.1773 10.1773 10.5591 10.5591 11.1964 11.1964
11.4753 11.4753
k = 0.3550 0.6301 0.1373 ( 4422 PWs) bands (ev):
-24.9009 -24.9009 -24.7819 -24.7819 -20.8677 -20.8677 -20.6743 -20.6743
-19.7448 -19.7448 -19.7395 -19.7395 -8.9653 -8.9653 -8.7964 -8.7964
-8.7054 -8.7054 -8.2427 -8.2427 -8.0574 -8.0574 -7.9730 -7.9730
-5.1904 -5.1904 -4.6151 -4.6151 -1.5316 -1.5316 -1.0685 -1.0685
-1.0516 -1.0516 -0.9866 -0.9866 -0.5950 -0.5950 -0.5834 -0.5834
-0.5334 -0.5334 -0.4143 -0.4143 -0.1968 -0.1968 -0.1688 -0.1688
8.9743 8.9743 10.1417 10.1417 10.5678 10.5678 11.1854 11.1854
11.4627 11.4627
k = 0.3414 0.6254 0.1446 ( 4422 PWs) bands (ev):
-24.8986 -24.8986 -24.7837 -24.7837 -20.8699 -20.8699 -20.6819 -20.6819
-19.7395 -19.7395 -19.7340 -19.7340 -8.9592 -8.9592 -8.7911 -8.7911
-8.6968 -8.6968 -8.2524 -8.2524 -8.0685 -8.0685 -7.9847 -7.9847
-5.1740 -5.1740 -4.6122 -4.6122 -1.5288 -1.5288 -1.0673 -1.0673
-1.0601 -1.0601 -0.9909 -0.9909 -0.5964 -0.5964 -0.5847 -0.5847
-0.5360 -0.5360 -0.4109 -0.4109 -0.1987 -0.1987 -0.1721 -0.1721
8.9481 8.9481 10.1016 10.1016 10.5797 10.5797 11.1754 11.1754
11.4488 11.4488
k = 0.3277 0.6206 0.1520 ( 4423 PWs) bands (ev):
-24.8963 -24.8963 -24.7856 -24.7856 -20.8719 -20.8719 -20.6895 -20.6895
-19.7342 -19.7342 -19.7286 -19.7286 -8.9526 -8.9526 -8.7854 -8.7854
-8.6878 -8.6878 -8.2629 -8.2629 -8.0801 -8.0801 -7.9968 -7.9968
-5.1570 -5.1570 -4.6097 -4.6097 -1.5255 -1.5255 -1.0694 -1.0694
-1.0655 -1.0655 -0.9957 -0.9957 -0.5979 -0.5979 -0.5864 -0.5864
-0.5383 -0.5383 -0.4081 -0.4081 -0.2005 -0.2005 -0.1752 -0.1752
8.9233 8.9233 10.0579 10.0579 10.5948 10.5948 11.1663 11.1663
11.4340 11.4340
k = 0.3141 0.6159 0.1593 ( 4411 PWs) bands (ev):
-24.8939 -24.8939 -24.7876 -24.7876 -20.8739 -20.8739 -20.6973 -20.6973
-19.7288 -19.7288 -19.7232 -19.7232 -8.9453 -8.9453 -8.7793 -8.7793
-8.6783 -8.6783 -8.2742 -8.2742 -8.0923 -8.0923 -8.0091 -8.0091
-5.1396 -5.1396 -4.6075 -4.6075 -1.5214 -1.5214 -1.0774 -1.0774
-1.0649 -1.0649 -1.0009 -1.0009 -0.5995 -0.5995 -0.5884 -0.5884
-0.5403 -0.5403 -0.4058 -0.4058 -0.2021 -0.2021 -0.1782 -0.1782
8.8999 8.8999 10.0113 10.0113 10.6131 10.6131 11.1582 11.1582
11.4186 11.4186
k = 0.3004 0.6111 0.1666 ( 4413 PWs) bands (ev):
-24.8915 -24.8915 -24.7895 -24.7895 -20.8757 -20.8757 -20.7051 -20.7051
-19.7235 -19.7235 -19.7178 -19.7178 -8.9376 -8.9376 -8.7726 -8.7726
-8.6684 -8.6684 -8.2863 -8.2863 -8.1050 -8.1050 -8.0216 -8.0216
-5.1219 -5.1219 -4.6058 -4.6058 -1.5167 -1.5167 -1.0855 -1.0855
-1.0645 -1.0645 -1.0065 -1.0065 -0.6013 -0.6013 -0.5907 -0.5907
-0.5420 -0.5420 -0.4040 -0.4040 -0.2036 -0.2036 -0.1811 -0.1811
8.8781 8.8781 9.9625 9.9625 10.6347 10.6347 11.1510 11.1510
11.4027 11.4027
k = 0.2868 0.6064 0.1740 ( 4411 PWs) bands (ev):
-24.8891 -24.8891 -24.7915 -24.7915 -20.8773 -20.8773 -20.7130 -20.7130
-19.7182 -19.7182 -19.7124 -19.7124 -8.9293 -8.9293 -8.7654 -8.7654
-8.6580 -8.6580 -8.2990 -8.2990 -8.1183 -8.1183 -8.0345 -8.0345
-5.1037 -5.1037 -4.6045 -4.6045 -1.5113 -1.5113 -1.0935 -1.0935
-1.0643 -1.0643 -1.0125 -1.0125 -0.6031 -0.6031 -0.5931 -0.5931
-0.5433 -0.5433 -0.4028 -0.4028 -0.2050 -0.2050 -0.1838 -0.1838
8.8581 8.8581 9.9119 9.9119 10.6593 10.6593 11.1448 11.1448
11.3865 11.3865
k = 0.2731 0.6016 0.1813 ( 4409 PWs) bands (ev):
-24.8867 -24.8867 -24.7935 -24.7935 -20.8788 -20.8788 -20.7209 -20.7209
-19.7129 -19.7129 -19.7072 -19.7072 -8.9205 -8.9205 -8.7578 -8.7578
-8.6472 -8.6472 -8.3123 -8.3123 -8.1319 -8.1319 -8.0476 -8.0476
-5.0853 -5.0853 -4.6037 -4.6037 -1.5053 -1.5053 -1.1013 -1.1013
-1.0644 -1.0644 -1.0188 -1.0188 -0.6051 -0.6051 -0.5956 -0.5956
-0.5443 -0.5443 -0.4023 -0.4023 -0.2062 -0.2062 -0.1862 -0.1862
8.8397 8.8397 9.8602 9.8602 10.6869 10.6869 11.1394 11.1394
11.3702 11.3702
k = 0.2594 0.5969 0.1886 ( 4411 PWs) bands (ev):
-24.8843 -24.8843 -24.7955 -24.7955 -20.8801 -20.8801 -20.7289 -20.7289
-19.7078 -19.7078 -19.7021 -19.7021 -8.9112 -8.9112 -8.7497 -8.7497
-8.6359 -8.6359 -8.3262 -8.3262 -8.1461 -8.1461 -8.0609 -8.0609
-5.0667 -5.0667 -4.6034 -4.6034 -1.4986 -1.4986 -1.1089 -1.1089
-1.0649 -1.0649 -1.0256 -1.0256 -0.6070 -0.6070 -0.5982 -0.5982
-0.5450 -0.5450 -0.4023 -0.4023 -0.2073 -0.2073 -0.1885 -0.1885
8.8233 8.8233 9.8076 9.8076 10.7172 10.7172 11.1350 11.1350
11.3538 11.3538
k = 0.2458 0.5921 0.1960 ( 4417 PWs) bands (ev):
-24.8819 -24.8819 -24.7976 -24.7976 -20.8811 -20.8811 -20.7368 -20.7368
-19.7027 -19.7027 -19.6971 -19.6971 -8.9014 -8.9014 -8.7411 -8.7411
-8.6243 -8.6243 -8.3405 -8.3405 -8.1606 -8.1606 -8.0746 -8.0746
-5.0478 -5.0478 -4.6038 -4.6038 -1.4913 -1.4913 -1.1163 -1.1163
-1.0658 -1.0658 -1.0326 -1.0326 -0.6090 -0.6090 -0.6009 -0.6009
-0.5453 -0.5453 -0.4030 -0.4030 -0.2082 -0.2082 -0.1906 -0.1906
8.8088 8.8088 9.7545 9.7545 10.7501 10.7501 11.1317 11.1317
11.3374 11.3374
k = 0.2321 0.5874 0.2033 ( 4423 PWs) bands (ev):
-24.8794 -24.8794 -24.7997 -24.7997 -20.8820 -20.8820 -20.7446 -20.7446
-19.6978 -19.6978 -19.6923 -19.6923 -8.8911 -8.8911 -8.7321 -8.7321
-8.6123 -8.6123 -8.3551 -8.3551 -8.1755 -8.1755 -8.0885 -8.0885
-5.0288 -5.0288 -4.6047 -4.6047 -1.4835 -1.4835 -1.1236 -1.1236
-1.0671 -1.0671 -1.0399 -1.0399 -0.6110 -0.6110 -0.6035 -0.6035
-0.5453 -0.5453 -0.4042 -0.4042 -0.2090 -0.2090 -0.1925 -0.1925
8.7963 8.7963 9.7013 9.7013 10.7853 10.7853 11.1295 11.1295
11.3211 11.3211
k = 0.2185 0.5827 0.2106 ( 4428 PWs) bands (ev):
-24.8770 -24.8770 -24.8018 -24.8018 -20.8826 -20.8826 -20.7524 -20.7524
-19.6930 -19.6930 -19.6877 -19.6877 -8.8805 -8.8805 -8.7226 -8.7226
-8.6000 -8.6000 -8.3700 -8.3700 -8.1907 -8.1907 -8.1026 -8.1026
-5.0098 -5.0098 -4.6064 -4.6064 -1.4750 -1.4750 -1.1307 -1.1307
-1.0687 -1.0687 -1.0474 -1.0474 -0.6129 -0.6129 -0.6060 -0.6060
-0.5448 -0.5448 -0.4060 -0.4060 -0.2096 -0.2096 -0.1943 -0.1943
8.7860 8.7860 9.6481 9.6481 10.8223 10.8223 11.1289 11.1289
11.3050 11.3050
k = 0.2048 0.5779 0.2180 ( 4434 PWs) bands (ev):
-24.8745 -24.8745 -24.8039 -24.8039 -20.8829 -20.8829 -20.7601 -20.7601
-19.6884 -19.6884 -19.6833 -19.6833 -8.8694 -8.8694 -8.7127 -8.7127
-8.5873 -8.5873 -8.3851 -8.3851 -8.2063 -8.2063 -8.1171 -8.1171
-4.9906 -4.9906 -4.6086 -4.6086 -1.4660 -1.4660 -1.1378 -1.1378
-1.0707 -1.0707 -1.0550 -1.0550 -0.6149 -0.6149 -0.6085 -0.6085
-0.5440 -0.5440 -0.4084 -0.4084 -0.2101 -0.2101 -0.1958 -0.1958
8.7779 8.7779 9.5953 9.5953 10.8604 10.8604 11.1301 11.1301
11.2891 11.2891
k = 0.1912 0.5732 0.2253 ( 4428 PWs) bands (ev):
-24.8721 -24.8721 -24.8060 -24.8060 -20.8830 -20.8830 -20.7676 -20.7676
-19.6839 -19.6839 -19.6791 -19.6791 -8.8579 -8.8579 -8.7024 -8.7024
-8.5744 -8.5744 -8.4002 -8.4002 -8.2221 -8.2221 -8.1317 -8.1317
-4.9715 -4.9715 -4.6116 -4.6116 -1.4565 -1.4565 -1.1448 -1.1448
-1.0729 -1.0729 -1.0626 -1.0626 -0.6167 -0.6167 -0.6109 -0.6109
-0.5427 -0.5427 -0.4112 -0.4112 -0.2105 -0.2105 -0.1972 -0.1972
8.7721 8.7721 9.5430 9.5430 10.8990 10.8990 11.1340 11.1340
11.2735 11.2735
k = 0.1775 0.5684 0.2326 ( 4416 PWs) bands (ev):
-24.8696 -24.8696 -24.8082 -24.8082 -20.8828 -20.8828 -20.7751 -20.7751
-19.6797 -19.6797 -19.6751 -19.6751 -8.8461 -8.8461 -8.6918 -8.6918
-8.5613 -8.5613 -8.4151 -8.4151 -8.2381 -8.2381 -8.1465 -8.1465
-4.9525 -4.9525 -4.6152 -4.6152 -1.4464 -1.4464 -1.1519 -1.1519
-1.0755 -1.0755 -1.0700 -1.0700 -0.6185 -0.6185 -0.6132 -0.6132
-0.5409 -0.5409 -0.4146 -0.4146 -0.2108 -0.2108 -0.1985 -0.1985
8.7686 8.7686 9.4914 9.4914 10.9364 10.9364 11.1417 11.1417
11.2583 11.2583
k = 0.1639 0.5637 0.2400 ( 4421 PWs) bands (ev):
-24.8671 -24.8671 -24.8103 -24.8103 -20.8824 -20.8824 -20.7824 -20.7824
-19.6757 -19.6757 -19.6714 -19.6714 -8.8339 -8.8339 -8.6810 -8.6810
-8.5481 -8.5481 -8.4297 -8.4297 -8.2544 -8.2544 -8.1616 -8.1616
-4.9335 -4.9335 -4.6197 -4.6197 -1.4358 -1.4358 -1.1592 -1.1592
-1.0788 -1.0788 -1.0769 -1.0769 -0.6203 -0.6203 -0.6154 -0.6154
-0.5388 -0.5388 -0.4184 -0.4184 -0.2110 -0.2110 -0.1996 -0.1996
8.7675 8.7675 9.4407 9.4407 10.9707 10.9707 11.1551 11.1551
11.2435 11.2435
k = 0.1502 0.5589 0.2473 ( 4417 PWs) bands (ev):
-24.8647 -24.8647 -24.8125 -24.8125 -20.8816 -20.8816 -20.7895 -20.7895
-19.6720 -19.6720 -19.6679 -19.6679 -8.8214 -8.8214 -8.6702 -8.6702
-8.5350 -8.5350 -8.4437 -8.4437 -8.2708 -8.2708 -8.1769 -8.1769
-4.9148 -4.9148 -4.6248 -4.6248 -1.4248 -1.4248 -1.1668 -1.1668
-1.0845 -1.0845 -1.0810 -1.0810 -0.6219 -0.6219 -0.6174 -0.6174
-0.5362 -0.5362 -0.4226 -0.4226 -0.2110 -0.2110 -0.2006 -0.2006
8.7689 8.7689 9.3910 9.3910 10.9997 10.9997 11.1761 11.1761
11.2291 11.2291
k = 0.1366 0.5542 0.2546 ( 4423 PWs) bands (ev):
-24.8622 -24.8622 -24.8147 -24.8147 -20.8806 -20.8806 -20.7964 -20.7964
-19.6685 -19.6685 -19.6647 -19.6647 -8.8086 -8.8086 -8.6595 -8.6595
-8.5224 -8.5224 -8.4563 -8.4563 -8.2872 -8.2872 -8.1924 -8.1924
-4.8962 -4.8962 -4.6308 -4.6308 -1.4134 -1.4134 -1.1749 -1.1749
-1.0908 -1.0908 -1.0843 -1.0843 -0.6234 -0.6234 -0.6194 -0.6194
-0.5331 -0.5331 -0.4271 -0.4271 -0.2110 -0.2110 -0.2016 -0.2016
8.7727 8.7727 9.3425 9.3425 11.0220 11.0220 11.2056 11.2056
11.2156 11.2156
k = 0.1229 0.5494 0.2620 ( 4418 PWs) bands (ev):
-24.8597 -24.8597 -24.8170 -24.8170 -20.8792 -20.8792 -20.8032 -20.8032
-19.6652 -19.6652 -19.6618 -19.6618 -8.7956 -8.7956 -8.6494 -8.6494
-8.5114 -8.5114 -8.4662 -8.4662 -8.3037 -8.3037 -8.2080 -8.2080
-4.8779 -4.8779 -4.6375 -4.6375 -1.4016 -1.4016 -1.1834 -1.1834
-1.0964 -1.0964 -1.0876 -1.0876 -0.6248 -0.6248 -0.6212 -0.6212
-0.5296 -0.5296 -0.4320 -0.4320 -0.2109 -0.2109 -0.2024 -0.2024
8.7790 8.7790 9.2954 9.2954 11.0380 11.0380 11.2016 11.2016
11.2442 11.2442
k = 0.1092 0.5447 0.2693 ( 4418 PWs) bands (ev):
-24.8573 -24.8573 -24.8192 -24.8192 -20.8775 -20.8775 -20.8097 -20.8097
-19.6623 -19.6623 -19.6592 -19.6592 -8.7823 -8.7823 -8.6404 -8.6404
-8.5051 -8.5051 -8.4699 -8.4699 -8.3201 -8.3201 -8.2237 -8.2237
-4.8599 -4.8599 -4.6450 -4.6450 -1.3895 -1.3895 -1.1926 -1.1926
-1.1013 -1.1013 -1.0909 -1.0909 -0.6261 -0.6261 -0.6229 -0.6229
-0.5257 -0.5257 -0.4372 -0.4372 -0.2108 -0.2108 -0.2032 -0.2032
8.7879 8.7879 9.2496 9.2496 11.0496 11.0496 11.1888 11.1888
11.2883 11.2883
k = 0.0956 0.5399 0.2767 ( 4419 PWs) bands (ev):
-24.8548 -24.8548 -24.8215 -24.8215 -20.8756 -20.8756 -20.8160 -20.8160
-19.6597 -19.6597 -19.6569 -19.6569 -8.7688 -8.7688 -8.6332 -8.6332
-8.5055 -8.5055 -8.4648 -8.4648 -8.3361 -8.3361 -8.2395 -8.2395
-4.8422 -4.8422 -4.6532 -4.6532 -1.3770 -1.3770 -1.2024 -1.2024
-1.1054 -1.1054 -1.0942 -1.0942 -0.6272 -0.6272 -0.6244 -0.6244
-0.5215 -0.5215 -0.4426 -0.4426 -0.2106 -0.2106 -0.2039 -0.2039
8.7992 8.7992 9.2054 9.2054 11.0584 11.0584 11.1765 11.1765
11.3364 11.3364
k = 0.0819 0.5352 0.2840 ( 4419 PWs) bands (ev):
-24.8523 -24.8523 -24.8238 -24.8238 -20.8733 -20.8733 -20.8221 -20.8221
-19.6573 -19.6573 -19.6549 -19.6549 -8.7551 -8.7551 -8.6288 -8.6288
-8.5079 -8.5079 -8.4547 -8.4547 -8.3515 -8.3515 -8.2554 -8.2554
-4.8250 -4.8250 -4.6623 -4.6623 -1.3643 -1.3643 -1.2129 -1.2129
-1.1086 -1.1086 -1.0975 -1.0975 -0.6282 -0.6282 -0.6257 -0.6257
-0.5169 -0.5169 -0.4483 -0.4483 -0.2103 -0.2103 -0.2046 -0.2046
8.8131 8.8131 9.1629 9.1629 11.0657 11.0657 11.1647 11.1647
11.3871 11.3871
k = 0.0683 0.5304 0.2913 ( 4411 PWs) bands (ev):
-24.8499 -24.8499 -24.8261 -24.8261 -20.8707 -20.8707 -20.8279 -20.8279
-19.6553 -19.6553 -19.6533 -19.6533 -8.7413 -8.7413 -8.6283 -8.6283
-8.5081 -8.5081 -8.4438 -8.4438 -8.3654 -8.3654 -8.2713 -8.2713
-4.8082 -4.8082 -4.6721 -4.6721 -1.3514 -1.3514 -1.2240 -1.2240
-1.1110 -1.1110 -1.1005 -1.1005 -0.6290 -0.6290 -0.6269 -0.6269
-0.5120 -0.5120 -0.4540 -0.4540 -0.2100 -0.2100 -0.2052 -0.2052
8.8295 8.8295 9.1221 9.1221 11.0723 11.0723 11.1536 11.1536
11.4392 11.4392
k = 0.0546 0.5257 0.2987 ( 4411 PWs) bands (ev):
-24.8475 -24.8475 -24.8284 -24.8284 -20.8678 -20.8678 -20.8335 -20.8335
-19.6536 -19.6536 -19.6520 -19.6520 -8.7274 -8.7274 -8.6318 -8.6318
-8.5046 -8.5046 -8.4353 -8.4353 -8.3759 -8.3759 -8.2872 -8.2872
-4.7918 -4.7918 -4.6826 -4.6826 -1.3384 -1.3384 -1.2355 -1.2355
-1.1125 -1.1125 -1.1034 -1.1034 -0.6296 -0.6296 -0.6280 -0.6280
-0.5068 -0.5068 -0.4600 -0.4600 -0.2096 -0.2096 -0.2058 -0.2058
8.8483 8.8483 9.0832 9.0832 11.0787 11.0787 11.1430 11.1430
11.4917 11.4917
k = 0.0410 0.5209 0.3060 ( 4421 PWs) bands (ev):
-24.8450 -24.8450 -24.8307 -24.8307 -20.8646 -20.8646 -20.8388 -20.8388
-19.6522 -19.6522 -19.6510 -19.6510 -8.7135 -8.7135 -8.6388 -8.6388
-8.4975 -8.4975 -8.4333 -8.4333 -8.3792 -8.3792 -8.3030 -8.3030
-4.7760 -4.7760 -4.6939 -4.6939 -1.3252 -1.3252 -1.2476 -1.2476
-1.1134 -1.1134 -1.1061 -1.1061 -0.6301 -0.6301 -0.6288 -0.6288
-0.5014 -0.5014 -0.4660 -0.4660 -0.2093 -0.2093 -0.2064 -0.2064
8.8696 8.8696 9.0462 9.0462 11.0851 11.0851 11.1331 11.1331
11.5441 11.5441
k = 0.0273 0.5162 0.3133 ( 4423 PWs) bands (ev):
-24.8426 -24.8426 -24.8331 -24.8331 -20.8610 -20.8610 -20.8438 -20.8438
-19.6512 -19.6512 -19.6503 -19.6503 -8.6996 -8.6996 -8.6486 -8.6486
-8.4876 -8.4876 -8.4396 -8.4396 -8.3735 -8.3735 -8.3186 -8.3186
-4.7608 -4.7608 -4.7059 -4.7059 -1.3120 -1.3120 -1.2600 -1.2600
-1.1135 -1.1135 -1.1085 -1.1085 -0.6303 -0.6303 -0.6295 -0.6295
-0.4957 -0.4957 -0.4720 -0.4720 -0.2089 -0.2089 -0.2070 -0.2070
8.8934 8.8934 9.0113 9.0113 11.0919 11.0919 11.1237 11.1237
11.5955 11.5955
k = 0.0137 0.5114 0.3207 ( 4416 PWs) bands (ev):
-24.8402 -24.8402 -24.8355 -24.8355 -20.8572 -20.8572 -20.8486 -20.8486
-19.6505 -19.6505 -19.6500 -19.6500 -8.6860 -8.6860 -8.6601 -8.6601
-8.4759 -8.4759 -8.4507 -8.4507 -8.3622 -8.3622 -8.3339 -8.3339
-4.7461 -4.7461 -4.7186 -4.7186 -1.2988 -1.2988 -1.2728 -1.2728
-1.1130 -1.1130 -1.1104 -1.1104 -0.6304 -0.6304 -0.6299 -0.6299
-0.4899 -0.4899 -0.4780 -0.4780 -0.2084 -0.2084 -0.2075 -0.2075
8.9194 8.9194 8.9785 8.9785 11.0991 11.0991 11.1149 11.1149
11.6456 11.6456
k = 0.0000 0.5067 0.3280 ( 4414 PWs) bands (ev):
-24.8378 -24.8378 -24.8378 -24.8378 -20.8532 -20.8532 -20.8529 -20.8529
-19.6502 -19.6502 -19.6499 -19.6499 -8.6727 -8.6727 -8.6727 -8.6727
-8.4633 -8.4633 -8.4633 -8.4633 -8.3486 -8.3486 -8.3486 -8.3486
-4.7322 -4.7322 -4.7319 -4.7319 -1.2859 -1.2859 -1.2856 -1.2856
-1.1121 -1.1121 -1.1118 -1.1118 -0.6304 -0.6304 -0.6301 -0.6301
-0.4841 -0.4841 -0.4839 -0.4839 -0.2080 -0.2080 -0.2079 -0.2079
8.9478 8.9478 8.9478 8.9478 11.1067 11.1067 11.1067 11.1067
11.6935 11.6935
k = 0.0000 0.5067 0.3280 ( 4414 PWs) bands (ev):
-24.8378 -24.8378 -24.8378 -24.8378 -20.8532 -20.8532 -20.8529 -20.8529
-19.6502 -19.6502 -19.6499 -19.6499 -8.6727 -8.6727 -8.6727 -8.6727
-8.4633 -8.4633 -8.4633 -8.4633 -8.3486 -8.3486 -8.3486 -8.3486
-4.7322 -4.7322 -4.7319 -4.7319 -1.2859 -1.2859 -1.2856 -1.2856
-1.1121 -1.1121 -1.1118 -1.1118 -0.6304 -0.6304 -0.6301 -0.6301
-0.4841 -0.4841 -0.4839 -0.4839 -0.2080 -0.2080 -0.2079 -0.2079
8.9478 8.9478 8.9478 8.9478 11.1067 11.1067 11.1067 11.1067
11.6935 11.6935
k = 0.0089 0.4991 0.3397 ( 4416 PWs) bands (ev):
-24.8378 -24.8378 -24.8378 -24.8378 -20.8537 -20.8537 -20.8533 -20.8533
-19.6497 -19.6497 -19.6494 -19.6494 -8.6730 -8.6730 -8.6728 -8.6728
-8.4638 -8.4638 -8.4632 -8.4632 -8.3488 -8.3488 -8.3484 -8.3484
-4.7310 -4.7310 -4.7307 -4.7307 -1.2864 -1.2864 -1.2858 -1.2858
-1.1141 -1.1141 -1.1133 -1.1133 -0.6307 -0.6307 -0.6295 -0.6295
-0.4898 -0.4898 -0.4875 -0.4875 -0.2027 -0.2027 -0.2019 -0.2019
8.9489 8.9489 8.9489 8.9489 11.0997 11.0997 11.0998 11.0998
11.7000 11.7000
k = 0.0179 0.4915 0.3514 ( 4422 PWs) bands (ev):
-24.8377 -24.8377 -24.8377 -24.8377 -20.8551 -20.8551 -20.8548 -20.8548
-19.6482 -19.6482 -19.6479 -19.6479 -8.6739 -8.6739 -8.6735 -8.6735
-8.4646 -8.4646 -8.4635 -8.4635 -8.3489 -8.3489 -8.3482 -8.3482
-4.7274 -4.7274 -4.7271 -4.7271 -1.2877 -1.2877 -1.2867 -1.2867
-1.1197 -1.1197 -1.1182 -1.1182 -0.6310 -0.6310 -0.6285 -0.6285
-0.5035 -0.5035 -0.4992 -0.4992 -0.1872 -0.1872 -0.1858 -0.1858
8.9520 8.9520 8.9521 8.9521 11.0795 11.0795 11.0798 11.0798
11.7190 11.7190
k = 0.0268 0.4839 0.3631 ( 4420 PWs) bands (ev):
-24.8375 -24.8375 -24.8375 -24.8375 -20.8575 -20.8575 -20.8571 -20.8571
-19.6457 -19.6457 -19.6453 -19.6453 -8.6753 -8.6753 -8.6747 -8.6747
-8.4657 -8.4657 -8.4642 -8.4642 -8.3490 -8.3490 -8.3480 -8.3480
-4.7214 -4.7214 -4.7211 -4.7211 -1.2898 -1.2898 -1.2882 -1.2882
-1.1287 -1.1287 -1.1264 -1.1264 -0.6313 -0.6313 -0.6274 -0.6274
-0.5226 -0.5226 -0.5163 -0.5163 -0.1640 -0.1640 -0.1623 -0.1623
8.9573 8.9573 8.9574 8.9574 11.0485 11.0485 11.0490 11.0490
11.7480 11.7480
k = 0.0357 0.4764 0.3748 ( 4412 PWs) bands (ev):
-24.8372 -24.8372 -24.8372 -24.8372 -20.8607 -20.8607 -20.8604 -20.8604
-19.6422 -19.6422 -19.6418 -19.6418 -8.6772 -8.6772 -8.6765 -8.6765
-8.4672 -8.4672 -8.4652 -8.4652 -8.3491 -8.3491 -8.3478 -8.3478
-4.7131 -4.7131 -4.7128 -4.7128 -1.2928 -1.2928 -1.2906 -1.2906
-1.1409 -1.1409 -1.1378 -1.1378 -0.6322 -0.6322 -0.6265 -0.6265
-0.5443 -0.5443 -0.5357 -0.5357 -0.1357 -0.1357 -0.1338 -0.1338
8.9647 8.9647 8.9648 8.9648 11.0093 11.0093 11.0098 11.0098
11.7846 11.7846
k = 0.0446 0.4688 0.3866 ( 4412 PWs) bands (ev):
-24.8368 -24.8368 -24.8368 -24.8368 -20.8647 -20.8647 -20.8644 -20.8644
-19.6378 -19.6378 -19.6375 -19.6375 -8.6797 -8.6797 -8.6787 -8.6787
-8.4689 -8.4689 -8.4665 -8.4665 -8.3491 -8.3491 -8.3475 -8.3475
-4.7026 -4.7026 -4.7023 -4.7023 -1.2966 -1.2966 -1.2937 -1.2937
-1.1563 -1.1563 -1.1522 -1.1522 -0.6347 -0.6347 -0.6267 -0.6267
-0.5657 -0.5657 -0.5547 -0.5547 -0.1042 -0.1042 -0.1023 -0.1023
8.9742 8.9742 8.9744 8.9744 10.9641 10.9641 10.9647 10.9647
11.8263 11.8263
k = 0.0536 0.4612 0.3983 ( 4412 PWs) bands (ev):
-24.8364 -24.8364 -24.8364 -24.8364 -20.8696 -20.8696 -20.8693 -20.8693
-19.6326 -19.6326 -19.6323 -19.6323 -8.6826 -8.6826 -8.6815 -8.6815
-8.4709 -8.4709 -8.4681 -8.4681 -8.3490 -8.3490 -8.3472 -8.3472
-4.6900 -4.6900 -4.6897 -4.6897 -1.3015 -1.3015 -1.2977 -1.2977
-1.1744 -1.1744 -1.1692 -1.1692 -0.6403 -0.6403 -0.6305 -0.6305
-0.5833 -0.5833 -0.5704 -0.5704 -0.0709 -0.0709 -0.0691 -0.0691
8.9857 8.9857 8.9860 8.9860 10.9146 10.9146 10.9152 10.9152
11.8715 11.8715
k = 0.0625 0.4536 0.4100 ( 4410 PWs) bands (ev):
-24.8359 -24.8359 -24.8359 -24.8359 -20.8751 -20.8751 -20.8748 -20.8748
-19.6267 -19.6267 -19.6263 -19.6263 -8.6860 -8.6860 -8.6848 -8.6848
-8.4731 -8.4731 -8.4699 -8.4699 -8.3488 -8.3488 -8.3469 -8.3469
-4.6754 -4.6754 -4.6752 -4.6752 -1.3077 -1.3077 -1.3028 -1.3028
-1.1948 -1.1948 -1.1883 -1.1883 -0.6505 -0.6505 -0.6415 -0.6415
-0.5928 -0.5928 -0.5805 -0.5805 -0.0368 -0.0368 -0.0350 -0.0350
8.9994 8.9994 8.9996 8.9996 10.8621 10.8621 10.8628 10.8628
11.9187 11.9187
k = 0.0714 0.4460 0.4217 ( 4412 PWs) bands (ev):
-24.8354 -24.8354 -24.8354 -24.8354 -20.8812 -20.8812 -20.8809 -20.8809
-19.6201 -19.6201 -19.6198 -19.6198 -8.6900 -8.6900 -8.6887 -8.6887
-8.4754 -8.4754 -8.4720 -8.4720 -8.3485 -8.3485 -8.3464 -8.3464
-4.6591 -4.6591 -4.6588 -4.6588 -1.3156 -1.3156 -1.3094 -1.3094
-1.2166 -1.2166 -1.2087 -1.2087 -0.6652 -0.6652 -0.6587 -0.6587
-0.5948 -0.5948 -0.5850 -0.5850 -0.0023 -0.0023 -0.0007 -0.0007
9.0150 9.0150 9.0153 9.0153 10.8076 10.8076 10.8082 10.8082
11.9669 11.9669
k = 0.0804 0.4384 0.4334 ( 4410 PWs) bands (ev):
-24.8348 -24.8348 -24.8348 -24.8348 -20.8878 -20.8878 -20.8875 -20.8875
-19.6130 -19.6130 -19.6126 -19.6126 -8.6944 -8.6944 -8.6930 -8.6930
-8.4778 -8.4778 -8.4742 -8.4742 -8.3481 -8.3481 -8.3459 -8.3459
-4.6411 -4.6411 -4.6409 -4.6409 -1.3260 -1.3260 -1.3184 -1.3184
-1.2387 -1.2387 -1.2292 -1.2292 -0.6822 -0.6822 -0.6781 -0.6781
-0.5932 -0.5932 -0.5857 -0.5857 0.0319 0.0319 0.0335 0.0335
9.0326 9.0326 9.0329 9.0329 10.7516 10.7516 10.7522 10.7522
12.0155 12.0157
k = 0.0893 0.4309 0.4451 ( 4402 PWs) bands (ev):
-24.8342 -24.8342 -24.8342 -24.8342 -20.8948 -20.8948 -20.8945 -20.8945
-19.6054 -19.6054 -19.6050 -19.6050 -8.6992 -8.6992 -8.6977 -8.6977
-8.4802 -8.4802 -8.4765 -8.4765 -8.3475 -8.3475 -8.3453 -8.3453
-4.6218 -4.6218 -4.6215 -4.6215 -1.3398 -1.3398 -1.3311 -1.3311
-1.2592 -1.2592 -1.2485 -1.2485 -0.7000 -0.7000 -0.6976 -0.6976
-0.5899 -0.5899 -0.5842 -0.5842 0.0656 0.0656 0.0670 0.0670
9.0523 9.0523 9.0526 9.0526 10.6946 10.6946 10.6953 10.6953
12.0638 12.0641
k = 0.0982 0.4233 0.4568 ( 4396 PWs) bands (ev):
-24.8335 -24.8335 -24.8335 -24.8335 -20.9021 -20.9021 -20.9018 -20.9018
-19.5975 -19.5975 -19.5971 -19.5971 -8.7044 -8.7044 -8.7029 -8.7029
-8.4826 -8.4826 -8.4788 -8.4788 -8.3469 -8.3469 -8.3446 -8.3446
-4.6012 -4.6012 -4.6009 -4.6009 -1.3578 -1.3578 -1.3491 -1.3491
-1.2761 -1.2761 -1.2653 -1.2653 -0.7176 -0.7176 -0.7163 -0.7163
-0.5860 -0.5860 -0.5814 -0.5814 0.0983 0.0983 0.0997 0.0997
9.0738 9.0738 9.0741 9.0741 10.6371 10.6371 10.6377 10.6377
12.1113 12.1115
k = 0.1071 0.4157 0.4686 ( 4402 PWs) bands (ev):
-24.8328 -24.8328 -24.8328 -24.8328 -20.9097 -20.9097 -20.9094 -20.9094
-19.5893 -19.5893 -19.5890 -19.5890 -8.7099 -8.7099 -8.7085 -8.7085
-8.4849 -8.4849 -8.4811 -8.4811 -8.3461 -8.3461 -8.3439 -8.3439
-4.5797 -4.5797 -4.5794 -4.5794 -1.3802 -1.3802 -1.3724 -1.3724
-1.2888 -1.2888 -1.2789 -1.2789 -0.7345 -0.7345 -0.7340 -0.7340
-0.5816 -0.5816 -0.5779 -0.5779 0.1301 0.1301 0.1313 0.1313
9.0972 9.0972 9.0976 9.0976 10.5792 10.5792 10.5798 10.5798
12.1579 12.1581
k = 0.1161 0.4081 0.4803 ( 4400 PWs) bands (ev):
-24.8321 -24.8321 -24.8321 -24.8321 -20.9173 -20.9173 -20.9170 -20.9170
-19.5811 -19.5811 -19.5807 -19.5807 -8.7158 -8.7158 -8.7143 -8.7143
-8.4871 -8.4871 -8.4834 -8.4834 -8.3453 -8.3453 -8.3431 -8.3431
-4.5574 -4.5574 -4.5572 -4.5572 -1.4061 -1.4061 -1.3996 -1.3996
-1.2983 -1.2983 -1.2897 -1.2897 -0.7507 -0.7507 -0.7504 -0.7504
-0.5770 -0.5770 -0.5740 -0.5740 0.1605 0.1605 0.1617 0.1617
9.1225 9.1225 9.1229 9.1229 10.5212 10.5212 10.5218 10.5218
12.2027 12.2029
k = 0.1250 0.4005 0.4920 ( 4408 PWs) bands (ev):
-24.8313 -24.8313 -24.8313 -24.8313 -20.9250 -20.9250 -20.9246 -20.9246
-19.5728 -19.5728 -19.5725 -19.5725 -8.7218 -8.7218 -8.7204 -8.7204
-8.4892 -8.4892 -8.4856 -8.4856 -8.3444 -8.3444 -8.3422 -8.3422
-4.5348 -4.5348 -4.5345 -4.5345 -1.4342 -1.4342 -1.4290 -1.4290
-1.3059 -1.3059 -1.2986 -1.2986 -0.7662 -0.7662 -0.7656 -0.7656
-0.5724 -0.5724 -0.5698 -0.5698 0.1896 0.1896 0.1906 0.1906
9.1496 9.1496 9.1499 9.1499 10.4632 10.4632 10.4638 10.4638
12.2459 12.2464
k = 0.1339 0.3929 0.5037 ( 4398 PWs) bands (ev):
-24.8306 -24.8306 -24.8306 -24.8306 -20.9325 -20.9325 -20.9322 -20.9322
-19.5646 -19.5646 -19.5643 -19.5643 -8.7279 -8.7279 -8.7265 -8.7265
-8.4912 -8.4912 -8.4877 -8.4877 -8.3434 -8.3434 -8.3413 -8.3413
-4.5119 -4.5119 -4.5116 -4.5116 -1.4635 -1.4635 -1.4593 -1.4593
-1.3122 -1.3122 -1.3060 -1.3060 -0.7806 -0.7806 -0.7798 -0.7798
-0.5677 -0.5677 -0.5656 -0.5656 0.2171 0.2171 0.2181 0.2181
9.1784 9.1784 9.1788 9.1788 10.4055 10.4055 10.4060 10.4060
12.2871 12.2875
k = 0.1429 0.3854 0.5154 ( 4402 PWs) bands (ev):
-24.8299 -24.8299 -24.8299 -24.8299 -20.9399 -20.9399 -20.9396 -20.9396
-19.5566 -19.5566 -19.5562 -19.5562 -8.7341 -8.7341 -8.7328 -8.7328
-8.4930 -8.4930 -8.4897 -8.4897 -8.3423 -8.3423 -8.3404 -8.3404
-4.4892 -4.4892 -4.4889 -4.4889 -1.4931 -1.4931 -1.4897 -1.4897
-1.3178 -1.3178 -1.3125 -1.3125 -0.7940 -0.7940 -0.7930 -0.7930
-0.5632 -0.5632 -0.5614 -0.5614 0.2429 0.2429 0.2438 0.2438
9.2090 9.2090 9.2093 9.2093 10.3481 10.3481 10.3486 10.3486
12.3263 12.3268
k = 0.1518 0.3778 0.5271 ( 4400 PWs) bands (ev):
-24.8292 -24.8292 -24.8292 -24.8292 -20.9470 -20.9470 -20.9467 -20.9467
-19.5489 -19.5489 -19.5485 -19.5485 -8.7401 -8.7401 -8.7389 -8.7389
-8.4946 -8.4946 -8.4915 -8.4915 -8.3413 -8.3413 -8.3394 -8.3394
-4.4668 -4.4668 -4.4665 -4.4665 -1.5222 -1.5222 -1.5195 -1.5195
-1.3228 -1.3228 -1.3182 -1.3182 -0.8063 -0.8063 -0.8052 -0.8052
-0.5588 -0.5588 -0.5573 -0.5573 0.2670 0.2670 0.2678 0.2678
9.2412 9.2412 9.2415 9.2415 10.2911 10.2911 10.2915 10.2915
12.3631 12.3634
k = 0.1607 0.3702 0.5388 ( 4400 PWs) bands (ev):
-24.8285 -24.8285 -24.8285 -24.8285 -20.9538 -20.9538 -20.9535 -20.9535
-19.5415 -19.5415 -19.5412 -19.5412 -8.7461 -8.7461 -8.7450 -8.7450
-8.4960 -8.4960 -8.4931 -8.4931 -8.3402 -8.3402 -8.3385 -8.3385
-4.4451 -4.4451 -4.4449 -4.4449 -1.5505 -1.5505 -1.5483 -1.5483
-1.3273 -1.3273 -1.3233 -1.3233 -0.8176 -0.8176 -0.8165 -0.8165
-0.5547 -0.5547 -0.5533 -0.5533 0.2892 0.2892 0.2899 0.2899
9.2749 9.2749 9.2752 9.2752 10.2346 10.2346 10.2351 10.2351
12.3974 12.3981
k = 0.1696 0.3626 0.5506 ( 4402 PWs) bands (ev):
-24.8279 -24.8279 -24.8279 -24.8279 -20.9601 -20.9601 -20.9598 -20.9598
-19.5346 -19.5346 -19.5343 -19.5343 -8.7518 -8.7518 -8.7507 -8.7507
-8.4972 -8.4972 -8.4946 -8.4946 -8.3392 -8.3392 -8.3376 -8.3376
-4.4244 -4.4244 -4.4242 -4.4242 -1.5774 -1.5774 -1.5756 -1.5756
-1.3314 -1.3314 -1.3280 -1.3280 -0.8279 -0.8279 -0.8268 -0.8268
-0.5508 -0.5508 -0.5496 -0.5496 0.3095 0.3095 0.3102 0.3102
9.3102 9.3102 9.3105 9.3105 10.1788 10.1788 10.1792 10.1792
12.4293 12.4300
k = 0.1786 0.3550 0.5623 ( 4404 PWs) bands (ev):
-24.8273 -24.8273 -24.8273 -24.8273 -20.9660 -20.9660 -20.9657 -20.9657
-19.5282 -19.5282 -19.5279 -19.5279 -8.7571 -8.7571 -8.7562 -8.7562
-8.4983 -8.4983 -8.4960 -8.4960 -8.3382 -8.3382 -8.3368 -8.3368
-4.4049 -4.4049 -4.4047 -4.4047 -1.6025 -1.6025 -1.6010 -1.6010
-1.3351 -1.3351 -1.3321 -1.3321 -0.8371 -0.8371 -0.8361 -0.8361
-0.5472 -0.5472 -0.5462 -0.5462 0.3278 0.3278 0.3284 0.3284
9.3468 9.3468 9.3471 9.3471 10.1237 10.1237 10.1241 10.1241
12.4588 12.4592
k = 0.1875 0.3474 0.5740 ( 4398 PWs) bands (ev):
-24.8267 -24.8267 -24.8267 -24.8267 -20.9713 -20.9713 -20.9710 -20.9710
-19.5224 -19.5224 -19.5221 -19.5221 -8.7621 -8.7621 -8.7612 -8.7612
-8.4992 -8.4992 -8.4971 -8.4971 -8.3372 -8.3372 -8.3360 -8.3360
-4.3870 -4.3870 -4.3867 -4.3867 -1.6255 -1.6255 -1.6243 -1.6243
-1.3383 -1.3383 -1.3358 -1.3358 -0.8454 -0.8454 -0.8444 -0.8444
-0.5439 -0.5439 -0.5431 -0.5431 0.3441 0.3441 0.3446 0.3446
9.3848 9.3848 9.3851 9.3851 10.0695 10.0695 10.0698 10.0698
12.4856 12.4866
k = 0.1964 0.3399 0.5857 ( 4404 PWs) bands (ev):
-24.8262 -24.8262 -24.8262 -24.8262 -20.9761 -20.9761 -20.9757 -20.9757
-19.5173 -19.5173 -19.5169 -19.5169 -8.7665 -8.7665 -8.7658 -8.7658
-8.5000 -8.5000 -8.4982 -8.4982 -8.3364 -8.3364 -8.3353 -8.3353
-4.3708 -4.3708 -4.3706 -4.3706 -1.6461 -1.6461 -1.6451 -1.6451
-1.3412 -1.3412 -1.3391 -1.3391 -0.8525 -0.8525 -0.8516 -0.8516
-0.5410 -0.5410 -0.5403 -0.5403 0.3583 0.3583 0.3588 0.3588
9.4240 9.4240 9.4242 9.4242 10.0162 10.0162 10.0165 10.0165
12.5102 12.5106
k = 0.2054 0.3323 0.5974 ( 4410 PWs) bands (ev):
-24.8258 -24.8258 -24.8258 -24.8258 -20.9801 -20.9801 -20.9798 -20.9798
-19.5128 -19.5128 -19.5125 -19.5125 -8.7704 -8.7704 -8.7698 -8.7698
-8.5006 -8.5006 -8.4991 -8.4991 -8.3356 -8.3356 -8.3347 -8.3347
-4.3567 -4.3567 -4.3564 -4.3564 -1.6640 -1.6640 -1.6632 -1.6632
-1.3436 -1.3436 -1.3418 -1.3418 -0.8586 -0.8586 -0.8578 -0.8578
-0.5385 -0.5385 -0.5379 -0.5379 0.3703 0.3703 0.3708 0.3708
9.4641 9.4641 9.4643 9.4643 9.9642 9.9642 9.9644 9.9644
12.5324 12.5332
k = 0.2143 0.3247 0.6091 ( 4406 PWs) bands (ev):
-24.8254 -24.8254 -24.8254 -24.8254 -20.9835 -20.9835 -20.9832 -20.9832
-19.5091 -19.5091 -19.5088 -19.5088 -8.7736 -8.7736 -8.7731 -8.7731
-8.5010 -8.5010 -8.4998 -8.4998 -8.3349 -8.3349 -8.3342 -8.3342
-4.3448 -4.3448 -4.3445 -4.3445 -1.6789 -1.6789 -1.6783 -1.6783
-1.3455 -1.3455 -1.3442 -1.3442 -0.8636 -0.8636 -0.8629 -0.8629
-0.5365 -0.5365 -0.5359 -0.5359 0.3803 0.3803 0.3807 0.3807
9.5049 9.5049 9.5051 9.5051 9.9137 9.9137 9.9139 9.9139
12.5528 12.5541
k = 0.2232 0.3171 0.6208 ( 4398 PWs) bands (ev):
-24.8252 -24.8252 -24.8251 -24.8251 -20.9862 -20.9862 -20.9859 -20.9859
-19.5062 -19.5062 -19.5059 -19.5059 -8.7761 -8.7761 -8.7758 -8.7758
-8.5013 -8.5013 -8.5004 -8.5004 -8.3344 -8.3344 -8.3338 -8.3338
-4.3353 -4.3353 -4.3351 -4.3351 -1.6907 -1.6907 -1.6903 -1.6903
-1.3470 -1.3470 -1.3460 -1.3460 -0.8675 -0.8675 -0.8670 -0.8670
-0.5348 -0.5348 -0.5344 -0.5344 0.3880 0.3880 0.3884 0.3884
9.5457 9.5457 9.5458 9.5458 9.8654 9.8654 9.8655 9.8655
12.5709 12.5721
k = 0.2321 0.3095 0.6326 ( 4402 PWs) bands (ev):
-24.8250 -24.8250 -24.8249 -24.8249 -20.9881 -20.9881 -20.9878 -20.9878
-19.5041 -19.5041 -19.5038 -19.5038 -8.7780 -8.7780 -8.7777 -8.7777
-8.5015 -8.5015 -8.5009 -8.5009 -8.3339 -8.3339 -8.3336 -8.3336
-4.3285 -4.3285 -4.3282 -4.3282 -1.6993 -1.6993 -1.6990 -1.6990
-1.3481 -1.3481 -1.3474 -1.3474 -0.8703 -0.8703 -0.8699 -0.8699
-0.5336 -0.5336 -0.5333 -0.5333 0.3936 0.3936 0.3939 0.3939
9.5848 9.5848 9.5849 9.5849 9.8208 9.8208 9.8209 9.8209
12.5866 12.5869
k = 0.2411 0.3020 0.6443 ( 4404 PWs) bands (ev):
-24.8248 -24.8248 -24.8248 -24.8248 -20.9893 -20.9893 -20.9890 -20.9890
-19.5028 -19.5028 -19.5025 -19.5025 -8.7791 -8.7791 -8.7790 -8.7790
-8.5015 -8.5015 -8.5012 -8.5012 -8.3336 -8.3336 -8.3335 -8.3335
-4.3243 -4.3243 -4.3240 -4.3240 -1.7045 -1.7045 -1.7042 -1.7042
-1.3487 -1.3487 -1.3482 -1.3482 -0.8719 -0.8719 -0.8716 -0.8716
-0.5329 -0.5329 -0.5326 -0.5326 0.3969 0.3969 0.3972 0.3972
9.6180 9.6180 9.6181 9.6181 9.7844 9.7844 9.7845 9.7845
12.6004 12.6017
k = 0.2500 0.2944 0.6560 ( 4404 PWs) bands (ev):
-24.8248 -24.8248 -24.8248 -24.8248 -20.9897 -20.9897 -20.9894 -20.9894
-19.5024 -19.5024 -19.5021 -19.5021 -8.7794 -8.7794 -8.7794 -8.7794
-8.5014 -8.5014 -8.5014 -8.5014 -8.3335 -8.3335 -8.3335 -8.3335
-4.3229 -4.3229 -4.3226 -4.3226 -1.7062 -1.7062 -1.7060 -1.7060
-1.3488 -1.3488 -1.3485 -1.3485 -0.8725 -0.8725 -0.8722 -0.8722
-0.5327 -0.5327 -0.5324 -0.5324 0.3980 0.3980 0.3983 0.3983
9.6330 9.6330 9.6330 9.6330 9.7684 9.7684 9.7685 9.7685
12.6084 12.6084
k = 0.2500 0.2944 0.6560 ( 4404 PWs) bands (ev):
-24.8248 -24.8248 -24.8248 -24.8248 -20.9897 -20.9897 -20.9894 -20.9894
-19.5024 -19.5024 -19.5021 -19.5021 -8.7794 -8.7794 -8.7794 -8.7794
-8.5014 -8.5014 -8.5014 -8.5014 -8.3335 -8.3335 -8.3335 -8.3335
-4.3229 -4.3229 -4.3226 -4.3226 -1.7062 -1.7062 -1.7060 -1.7060
-1.3488 -1.3488 -1.3485 -1.3485 -0.8725 -0.8725 -0.8722 -0.8722
-0.5327 -0.5327 -0.5324 -0.5324 0.3980 0.3980 0.3983 0.3983
9.6330 9.6330 9.6330 9.6330 9.7684 9.7684 9.7685 9.7685
12.6084 12.6085
k = 0.2569 0.3025 0.6434 ( 4404 PWs) bands (ev):
-24.8263 -24.8263 -24.8233 -24.8233 -20.9901 -20.9901 -20.9885 -20.9885
-19.5029 -19.5029 -19.5021 -19.5021 -8.7797 -8.7797 -8.7788 -8.7788
-8.5119 -8.5119 -8.4910 -8.4910 -8.3341 -8.3341 -8.3326 -8.3326
-4.3245 -4.3245 -4.3226 -4.3226 -1.7060 -1.7060 -1.7041 -1.7041
-1.3610 -1.3610 -1.3361 -1.3361 -0.8733 -0.8733 -0.8708 -0.8708
-0.5361 -0.5361 -0.5292 -0.5292 0.3970 0.3970 0.3981 0.3981
9.5675 9.5675 9.6754 9.6754 9.7552 9.7552 9.8064 9.8064
12.5696 12.5696
k = 0.2639 0.3107 0.6307 ( 4401 PWs) bands (ev):
-24.8276 -24.8276 -24.8222 -24.8222 -20.9904 -20.9904 -20.9868 -20.9868
-19.5039 -19.5039 -19.5026 -19.5026 -8.7805 -8.7805 -8.7772 -8.7772
-8.5225 -8.5225 -8.4806 -8.4806 -8.3352 -8.3352 -8.3308 -8.3308
-4.3287 -4.3287 -4.3233 -4.3233 -1.7050 -1.7050 -1.6990 -1.6990
-1.3729 -1.3729 -1.3232 -1.3232 -0.8739 -0.8739 -0.8681 -0.8681
-0.5401 -0.5401 -0.5261 -0.5261 0.3941 0.3941 0.3970 0.3970
9.5040 9.5040 9.6813 9.6813 9.7429 9.7429 9.8817 9.8817
12.5178 12.5178
k = 0.2708 0.3189 0.6181 ( 4400 PWs) bands (ev):
-24.8287 -24.8287 -24.8212 -24.8212 -20.9904 -20.9904 -20.9845 -20.9845
-19.5054 -19.5054 -19.5035 -19.5035 -8.7817 -8.7817 -8.7746 -8.7746
-8.5330 -8.5330 -8.4703 -8.4703 -8.3367 -8.3367 -8.3280 -8.3280
-4.3352 -4.3352 -4.3248 -4.3248 -1.7030 -1.7030 -1.6908 -1.6908
-1.3846 -1.3846 -1.3101 -1.3101 -0.8745 -0.8745 -0.8642 -0.8642
-0.5443 -0.5443 -0.5233 -0.5233 0.3895 0.3895 0.3953 0.3953
9.4425 9.4425 9.6769 9.6769 9.7317 9.7317 9.9677 9.9677
12.4667 12.4667
k = 0.2778 0.3271 0.6055 ( 4401 PWs) bands (ev):
-24.8297 -24.8297 -24.8206 -24.8206 -20.9902 -20.9902 -20.9816 -20.9816
-19.5075 -19.5075 -19.5049 -19.5049 -8.7834 -8.7834 -8.7710 -8.7710
-8.5433 -8.5433 -8.4603 -8.4603 -8.3387 -8.3387 -8.3241 -8.3241
-4.3442 -4.3442 -4.3270 -4.3270 -1.7000 -1.7000 -1.6797 -1.6797
-1.3959 -1.3959 -1.2967 -1.2967 -0.8750 -0.8750 -0.8591 -0.8591
-0.5487 -0.5487 -0.5208 -0.5208 0.3830 0.3830 0.3928 0.3928
9.3833 9.3833 9.6713 9.6713 9.7216 9.7216 10.0552 10.0552
12.4164 12.4164
k = 0.2847 0.3353 0.5928 ( 4405 PWs) bands (ev):
-24.8305 -24.8305 -24.8203 -24.8203 -20.9897 -20.9897 -20.9781 -20.9781
-19.5101 -19.5101 -19.5067 -19.5067 -8.7856 -8.7856 -8.7665 -8.7665
-8.5534 -8.5534 -8.4508 -8.4508 -8.3410 -8.3410 -8.3192 -8.3192
-4.3554 -4.3554 -4.3299 -4.3299 -1.6960 -1.6960 -1.6656 -1.6656
-1.4069 -1.4069 -1.2832 -1.2832 -0.8754 -0.8754 -0.8529 -0.8529
-0.5531 -0.5531 -0.5187 -0.5187 0.3747 0.3747 0.3896 0.3896
9.3264 9.3264 9.6667 9.6667 9.7128 9.7128 10.1417 10.1417
12.3669 12.3669
k = 0.2917 0.3434 0.5802 ( 4407 PWs) bands (ev):
-24.8310 -24.8310 -24.8202 -24.8202 -20.9889 -20.9889 -20.9740 -20.9740
-19.5132 -19.5132 -19.5090 -19.5090 -8.7883 -8.7883 -8.7612 -8.7612
-8.5631 -8.5631 -8.4420 -8.4420 -8.3434 -8.3434 -8.3134 -8.3134
-4.3688 -4.3688 -4.3335 -4.3335 -1.6910 -1.6910 -1.6488 -1.6488
-1.4174 -1.4174 -1.2696 -1.2696 -0.8757 -0.8757 -0.8457 -0.8457
-0.5577 -0.5577 -0.5168 -0.5168 0.3645 0.3645 0.3857 0.3857
9.2719 9.2719 9.6638 9.6638 9.7054 9.7054 10.2262 10.2262
12.3184 12.3184
k = 0.2986 0.3516 0.5676 ( 4407 PWs) bands (ev):
-24.8314 -24.8314 -24.8204 -24.8204 -20.9879 -20.9879 -20.9692 -20.9692
-19.5169 -19.5169 -19.5117 -19.5117 -8.7914 -8.7914 -8.7551 -8.7551
-8.5722 -8.5722 -8.4343 -8.4343 -8.3457 -8.3457 -8.3066 -8.3066
-4.3843 -4.3843 -4.3377 -4.3377 -1.6850 -1.6850 -1.6294 -1.6294
-1.4274 -1.4274 -1.2558 -1.2558 -0.8759 -0.8759 -0.8374 -0.8374
-0.5622 -0.5622 -0.5153 -0.5153 0.3527 0.3527 0.3812 0.3812
9.2201 9.2201 9.6627 9.6627 9.6995 9.6995 10.3083 10.3083
12.2707 12.2707
k = 0.3056 0.3598 0.5549 ( 4411 PWs) bands (ev):
-24.8317 -24.8317 -24.8208 -24.8208 -20.9865 -20.9865 -20.9639 -20.9639
-19.5210 -19.5210 -19.5148 -19.5148 -8.7951 -8.7951 -8.7484 -8.7484
-8.5806 -8.5806 -8.4280 -8.4280 -8.3473 -8.3473 -8.2989 -8.2989
-4.4019 -4.4019 -4.3427 -4.3427 -1.6780 -1.6780 -1.6076 -1.6076
-1.4368 -1.4368 -1.2420 -1.2420 -0.8761 -0.8761 -0.8282 -0.8282
-0.5667 -0.5667 -0.5141 -0.5141 0.3391 0.3391 0.3760 0.3760
9.1709 9.1709 9.6636 9.6636 9.6953 9.6953 10.3877 10.3877
12.2238 12.2238
k = 0.3125 0.3680 0.5423 ( 4416 PWs) bands (ev):
-24.8317 -24.8317 -24.8215 -24.8215 -20.9850 -20.9850 -20.9581 -20.9581
-19.5256 -19.5256 -19.5184 -19.5184 -8.7992 -8.7992 -8.7414 -8.7414
-8.5879 -8.5879 -8.4238 -8.4238 -8.3476 -8.3476 -8.2904 -8.2904
-4.4212 -4.4212 -4.3482 -4.3482 -1.6701 -1.6701 -1.5837 -1.5837
-1.4453 -1.4453 -1.2282 -1.2282 -0.8761 -0.8761 -0.8182 -0.8182
-0.5712 -0.5712 -0.5132 -0.5132 0.3239 0.3239 0.3701 0.3701
9.1245 9.1245 9.6662 9.6662 9.6931 9.6931 10.4641 10.4641
12.1779 12.1779
k = 0.3194 0.3761 0.5297 ( 4416 PWs) bands (ev):
-24.8316 -24.8316 -24.8224 -24.8224 -20.9831 -20.9831 -20.9516 -20.9516
-19.5307 -19.5307 -19.5223 -19.5223 -8.8039 -8.8039 -8.7343 -8.7343
-8.5939 -8.5939 -8.4221 -8.4221 -8.3460 -8.3460 -8.2813 -8.2813
-4.4423 -4.4423 -4.3543 -4.3543 -1.6612 -1.6612 -1.5582 -1.5582
-1.4527 -1.4527 -1.2145 -1.2145 -0.8761 -0.8761 -0.8074 -0.8074
-0.5756 -0.5756 -0.5126 -0.5126 0.3071 0.3071 0.3636 0.3636
9.0810 9.0810 9.6702 9.6702 9.6933 9.6933 10.5373 10.5373
12.1329 12.1329
k = 0.3264 0.3843 0.5170 ( 4418 PWs) bands (ev):
-24.8312 -24.8312 -24.8236 -24.8236 -20.9811 -20.9811 -20.9447 -20.9447
-19.5363 -19.5363 -19.5267 -19.5267 -8.8090 -8.8090 -8.7276 -8.7276
-8.5982 -8.5982 -8.4232 -8.4232 -8.3423 -8.3423 -8.2715 -8.2715
-4.4650 -4.4650 -4.3609 -4.3609 -1.6514 -1.6514 -1.5326 -1.5326
-1.4575 -1.4575 -1.2009 -1.2009 -0.8761 -0.8761 -0.7960 -0.7960
-0.5799 -0.5799 -0.5122 -0.5122 0.2887 0.2887 0.3564 0.3564
9.0403 9.0403 9.6751 9.6751 9.6964 9.6964 10.6073 10.6073
12.0888 12.0888
k = 0.3333 0.3925 0.5044 ( 4414 PWs) bands (ev):
-24.8307 -24.8307 -24.8250 -24.8250 -20.9787 -20.9787 -20.9373 -20.9373
-19.5422 -19.5422 -19.5315 -19.5315 -8.8145 -8.8145 -8.7219 -8.7219
-8.6003 -8.6003 -8.4270 -8.4270 -8.3365 -8.3365 -8.2613 -8.2613
-4.4891 -4.4891 -4.3680 -4.3680 -1.6407 -1.6407 -1.5110 -1.5110
-1.4559 -1.4559 -1.1875 -1.1875 -0.8760 -0.8760 -0.7839 -0.7839
-0.5840 -0.5840 -0.5121 -0.5121 0.2690 0.2690 0.3486 0.3486
9.0026 9.0026 9.6804 9.6804 9.7031 9.7031 10.6738 10.6738
12.0457 12.0457
k = 0.3403 0.4007 0.4918 ( 4413 PWs) bands (ev):
-24.8301 -24.8301 -24.8267 -24.8267 -20.9761 -20.9761 -20.9294 -20.9294
-19.5486 -19.5486 -19.5367 -19.5367 -8.8205 -8.8205 -8.7175 -8.7175
-8.5996 -8.5996 -8.4328 -8.4328 -8.3290 -8.3290 -8.2506 -8.2506
-4.5145 -4.5145 -4.3755 -4.3755 -1.6291 -1.6291 -1.5012 -1.5012
-1.4401 -1.4401 -1.1742 -1.1742 -0.8759 -0.8759 -0.7713 -0.7713
-0.5878 -0.5878 -0.5123 -0.5123 0.2478 0.2478 0.3402 0.3402
8.9679 8.9679 9.6863 9.6863 9.7130 9.7130 10.7367 10.7367
12.0035 12.0035
k = 0.3472 0.4088 0.4791 ( 4414 PWs) bands (ev):
-24.8292 -24.8292 -24.8286 -24.8286 -20.9733 -20.9733 -20.9210 -20.9210
-19.5554 -19.5554 -19.5423 -19.5423 -8.8269 -8.8269 -8.7150 -8.7150
-8.5959 -8.5959 -8.4402 -8.4402 -8.3203 -8.3203 -8.2397 -8.2397
-4.5411 -4.5411 -4.3835 -4.3835 -1.6167 -1.6167 -1.5016 -1.5016
-1.4118 -1.4118 -1.1612 -1.1612 -0.8758 -0.8758 -0.7584 -0.7584
-0.5914 -0.5914 -0.5127 -0.5127 0.2255 0.2255 0.3311 0.3311
8.9363 8.9363 9.6932 9.6932 9.7258 9.7258 10.7962 10.7962
11.9624 11.9624
k = 0.3542 0.4170 0.4665 ( 4413 PWs) bands (ev):
-24.8306 -24.8306 -24.8282 -24.8282 -20.9703 -20.9703 -20.9122 -20.9122
-19.5625 -19.5625 -19.5482 -19.5482 -8.8336 -8.8336 -8.7144 -8.7144
-8.5892 -8.5892 -8.4488 -8.4488 -8.3106 -8.3106 -8.2285 -8.2285
-4.5686 -4.5686 -4.3919 -4.3919 -1.6034 -1.6034 -1.5056 -1.5056
-1.3780 -1.3780 -1.1484 -1.1484 -0.8757 -0.8757 -0.7451 -0.7451
-0.5947 -0.5947 -0.5134 -0.5134 0.2019 0.2019 0.3214 0.3214
8.9077 8.9077 9.7015 9.7015 9.7410 9.7410 10.8520 10.8520
11.9224 11.9224
k = 0.3611 0.4252 0.4539 ( 4412 PWs) bands (ev):
-24.8329 -24.8329 -24.8271 -24.8271 -20.9670 -20.9670 -20.9030 -20.9030
-19.5699 -19.5699 -19.5545 -19.5545 -8.8406 -8.8406 -8.7156 -8.7156
-8.5797 -8.5797 -8.4583 -8.4583 -8.3002 -8.3002 -8.2171 -8.2171
-4.5971 -4.5971 -4.4006 -4.4006 -1.5894 -1.5894 -1.5105 -1.5105
-1.3412 -1.3412 -1.1359 -1.1359 -0.8757 -0.8757 -0.7317 -0.7317
-0.5977 -0.5977 -0.5143 -0.5143 0.1773 0.1773 0.3112 0.3112
8.8823 8.8823 9.7115 9.7115 9.7583 9.7583 10.9043 10.9043
11.8835 11.8835
k = 0.3681 0.4334 0.4412 ( 4414 PWs) bands (ev):
-24.8353 -24.8353 -24.8258 -24.8258 -20.9635 -20.9635 -20.8935 -20.8935
-19.5776 -19.5776 -19.5611 -19.5611 -8.8479 -8.8479 -8.7181 -8.7181
-8.5681 -8.5681 -8.4683 -8.4683 -8.2892 -8.2892 -8.2056 -8.2056
-4.6263 -4.6263 -4.4096 -4.4096 -1.5747 -1.5747 -1.5156 -1.5156
-1.3027 -1.3027 -1.1237 -1.1237 -0.8757 -0.8757 -0.7180 -0.7180
-0.6003 -0.6003 -0.5154 -0.5154 0.1517 0.1517 0.3003 0.3003
8.8600 8.8600 9.7234 9.7234 9.7775 9.7775 10.9530 10.9530
11.8457 11.8457
k = 0.3750 0.4416 0.4286 ( 4418 PWs) bands (ev):
-24.8379 -24.8379 -24.8243 -24.8243 -20.9599 -20.9599 -20.8835 -20.8835
-19.5856 -19.5856 -19.5681 -19.5681 -8.8554 -8.8554 -8.7216 -8.7216
-8.5551 -8.5551 -8.4783 -8.4783 -8.2778 -8.2778 -8.1941 -8.1941
-4.6561 -4.6561 -4.4189 -4.4189 -1.5593 -1.5593 -1.5204 -1.5204
-1.2628 -1.2628 -1.1119 -1.1119 -0.8758 -0.8758 -0.7043 -0.7043
-0.6025 -0.6025 -0.5167 -0.5167 0.1253 0.1253 0.2889 0.2889
8.8409 8.8409 9.7372 9.7372 9.7984 9.7984 10.9983 10.9983
11.8092 11.8092
k = 0.3819 0.4497 0.4160 ( 4418 PWs) bands (ev):
-24.8407 -24.8407 -24.8227 -24.8227 -20.9560 -20.9560 -20.8733 -20.8733
-19.5939 -19.5939 -19.5754 -19.5754 -8.8630 -8.8630 -8.7258 -8.7258
-8.5421 -8.5421 -8.4873 -8.4873 -8.2659 -8.2659 -8.1826 -8.1826
-4.6863 -4.6863 -4.4283 -4.4283 -1.5436 -1.5436 -1.5245 -1.5245
-1.2218 -1.2218 -1.1004 -1.1004 -0.8761 -0.8761 -0.6906 -0.6906
-0.6042 -0.6042 -0.5182 -0.5182 0.0981 0.0981 0.2769 0.2769
8.8249 8.8249 9.7531 9.7531 9.8208 9.8208 11.0402 11.0402
11.7740 11.7740
k = 0.3889 0.4579 0.4034 ( 4427 PWs) bands (ev):
-24.8436 -24.8436 -24.8210 -24.8210 -20.9520 -20.9520 -20.8628 -20.8628
-19.6024 -19.6024 -19.5830 -19.5830 -8.8708 -8.8708 -8.7304 -8.7304
-8.5325 -8.5325 -8.4922 -8.4922 -8.2537 -8.2537 -8.1711 -8.1711
-4.7170 -4.7170 -4.4380 -4.4380 -1.5327 -1.5327 -1.5228 -1.5228
-1.1803 -1.1803 -1.0892 -1.0892 -0.8764 -0.8764 -0.6770 -0.6770
-0.6055 -0.6055 -0.5199 -0.5199 0.0704 0.0704 0.2645 0.2645
8.8121 8.8121 9.7709 9.7709 9.8446 9.8446 11.0787 11.0787
11.7401 11.7401
k = 0.3958 0.4661 0.3907 ( 4424 PWs) bands (ev):
-24.8466 -24.8466 -24.8192 -24.8192 -20.9478 -20.9478 -20.8521 -20.8521
-19.6111 -19.6111 -19.5908 -19.5908 -8.8785 -8.8785 -8.7352 -8.7352
-8.5322 -8.5322 -8.4872 -8.4872 -8.2411 -8.2411 -8.1597 -8.1597
-4.7478 -4.7478 -4.4479 -4.4479 -1.5347 -1.5347 -1.5073 -1.5073
-1.1387 -1.1387 -1.0778 -1.0778 -0.8770 -0.8770 -0.6637 -0.6637
-0.6062 -0.6062 -0.5218 -0.5218 0.0421 0.0421 0.2515 0.2515
8.8025 8.8025 9.7908 9.7908 9.8698 9.8698 11.1140 11.1140
11.7077 11.7077
k = 0.4028 0.4743 0.3781 ( 4420 PWs) bands (ev):
-24.8497 -24.8497 -24.8172 -24.8172 -20.9434 -20.9434 -20.8411 -20.8411
-19.6199 -19.6199 -19.5989 -19.5989 -8.8863 -8.8863 -8.7402 -8.7402
-8.5400 -8.5400 -8.4736 -8.4736 -8.2284 -8.2284 -8.1483 -8.1483
-4.7788 -4.7788 -4.4578 -4.4578 -1.5379 -1.5379 -1.4895 -1.4895
-1.0988 -1.0988 -1.0647 -1.0647 -0.8777 -0.8777 -0.6507 -0.6507
-0.6062 -0.6062 -0.5238 -0.5238 0.0136 0.0136 0.2380 0.2380
8.7961 8.7961 9.8126 9.8126 9.8960 9.8960 11.1463 11.1463
11.6767 11.6767
k = 0.4097 0.4824 0.3655 ( 4428 PWs) bands (ev):
-24.8530 -24.8530 -24.8151 -24.8151 -20.9390 -20.9390 -20.8299 -20.8299
-19.6288 -19.6288 -19.6072 -19.6072 -8.8940 -8.8940 -8.7453 -8.7453
-8.5509 -8.5509 -8.4565 -8.4565 -8.2155 -8.2155 -8.1369 -8.1369
-4.8098 -4.8098 -4.4679 -4.4679 -1.5409 -1.5409 -1.4710 -1.4710
-1.0701 -1.0701 -1.0409 -1.0409 -0.8786 -0.8786 -0.6386 -0.6386
-0.6051 -0.6051 -0.5260 -0.5260 -0.0151 -0.0151 0.2241 0.2241
8.7927 8.7927 9.8365 9.8365 9.9231 9.9231 11.1756 11.1756
11.6473 11.6473
k = 0.4167 0.4906 0.3528 ( 4432 PWs) bands (ev):
-24.8563 -24.8563 -24.8130 -24.8130 -20.9344 -20.9344 -20.8186 -20.8186
-19.6378 -19.6378 -19.6158 -19.6158 -8.9015 -8.9015 -8.7504 -8.7504
-8.5630 -8.5630 -8.4382 -8.4382 -8.2024 -8.2024 -8.1256 -8.1256
-4.8406 -4.8406 -4.4780 -4.4780 -1.5436 -1.5436 -1.4520 -1.4520
-1.0564 -1.0564 -1.0026 -1.0026 -0.8796 -0.8796 -0.6280 -0.6280
-0.6022 -0.6022 -0.5283 -0.5283 -0.0439 -0.0439 0.2098 0.2098
8.7925 8.7925 9.8623 9.8623 9.9509 9.9509 11.2021 11.2021
11.6195 11.6195
k = 0.4236 0.4988 0.3402 ( 4430 PWs) bands (ev):
-24.8597 -24.8597 -24.8107 -24.8107 -20.9297 -20.9297 -20.8072 -20.8072
-19.6469 -19.6469 -19.6245 -19.6245 -8.9089 -8.9089 -8.7554 -8.7554
-8.5756 -8.5756 -8.4192 -8.4192 -8.1893 -8.1893 -8.1142 -8.1142
-4.8713 -4.8713 -4.4881 -4.4881 -1.5459 -1.5459 -1.4325 -1.4325
-1.0468 -1.0468 -0.9614 -0.9614 -0.8805 -0.8805 -0.6203 -0.6203
-0.5962 -0.5962 -0.5307 -0.5307 -0.0726 -0.0726 0.1951 0.1951
8.7953 8.7953 9.8899 9.8899 9.9793 9.9793 11.2259 11.2259
11.5933 11.5933
k = 0.4306 0.5070 0.3276 ( 4425 PWs) bands (ev):
-24.8632 -24.8632 -24.8084 -24.8084 -20.9249 -20.9249 -20.7956 -20.7956
-19.6559 -19.6559 -19.6333 -19.6333 -8.9161 -8.9161 -8.7604 -8.7604
-8.5883 -8.5883 -8.4000 -8.4000 -8.1763 -8.1763 -8.1029 -8.1029
-4.9016 -4.9016 -4.4983 -4.4983 -1.5478 -1.5478 -1.4126 -1.4126
-1.0384 -1.0384 -0.9217 -0.9217 -0.8800 -0.8800 -0.6158 -0.6158
-0.5867 -0.5867 -0.5333 -0.5333 -0.1011 -0.1011 0.1800 0.1800
8.8012 8.8012 9.9194 9.9194 10.0080 10.0080 11.2471 11.2471
11.5689 11.5689
k = 0.4375 0.5151 0.3149 ( 4431 PWs) bands (ev):
-24.8667 -24.8667 -24.8060 -24.8060 -20.9201 -20.9201 -20.7841 -20.7841
-19.6650 -19.6650 -19.6423 -19.6423 -8.9231 -8.9231 -8.7653 -8.7653
-8.6011 -8.6011 -8.3810 -8.3810 -8.1633 -8.1633 -8.0914 -8.0914
-4.9316 -4.9316 -4.5084 -4.5084 -1.5493 -1.5493 -1.3923 -1.3923
-1.0309 -1.0309 -0.8961 -0.8961 -0.8660 -0.8660 -0.6130 -0.6130
-0.5751 -0.5751 -0.5360 -0.5360 -0.1292 -0.1292 0.1645 0.1645
8.8100 8.8100 9.9505 9.9505 10.0367 10.0367 11.2659 11.2659
11.5462 11.5462
k = 0.4444 0.5233 0.3023 ( 4425 PWs) bands (ev):
-24.8703 -24.8703 -24.8035 -24.8035 -20.9152 -20.9152 -20.7725 -20.7725
-19.6740 -19.6740 -19.6514 -19.6514 -8.9298 -8.9298 -8.7701 -8.7701
-8.6138 -8.6138 -8.3622 -8.3622 -8.1504 -8.1504 -8.0798 -8.0798
-4.9610 -4.9610 -4.5184 -4.5184 -1.5504 -1.5504 -1.3719 -1.3719
-1.0240 -1.0240 -0.8936 -0.8936 -0.8303 -0.8303 -0.6109 -0.6109
-0.5624 -0.5624 -0.5387 -0.5387 -0.1567 -0.1567 0.1488 0.1488
8.8218 8.8218 9.9833 9.9833 10.0652 10.0652 11.2823 11.2823
11.5252 11.5252
k = 0.4514 0.5315 0.2897 ( 4427 PWs) bands (ev):
-24.8738 -24.8738 -24.8010 -24.8010 -20.9103 -20.9103 -20.7609 -20.7609
-19.6830 -19.6830 -19.6606 -19.6606 -8.9362 -8.9362 -8.7748 -8.7748
-8.6263 -8.6263 -8.3438 -8.3438 -8.1378 -8.1378 -8.0680 -8.0680
-4.9899 -4.9899 -4.5283 -4.5283 -1.5511 -1.5511 -1.3512 -1.3512
-1.0177 -1.0177 -0.8959 -0.8959 -0.7915 -0.7915 -0.6091 -0.6091
-0.5490 -0.5490 -0.5415 -0.5415 -0.1836 -0.1836 0.1328 0.1328
8.8365 8.8365 10.0175 10.0175 10.0930 10.0930 11.2964 11.2964
11.5061 11.5061
k = 0.4583 0.5397 0.2770 ( 4429 PWs) bands (ev):
-24.8774 -24.8774 -24.7985 -24.7985 -20.9054 -20.9054 -20.7494 -20.7494
-19.6918 -19.6918 -19.6698 -19.6698 -8.9423 -8.9423 -8.7794 -8.7794
-8.6386 -8.6386 -8.3262 -8.3262 -8.1254 -8.1254 -8.0559 -8.0559
-5.0182 -5.0182 -4.5381 -4.5381 -1.5514 -1.5514 -1.3303 -1.3303
-1.0119 -1.0119 -0.8993 -0.8993 -0.7536 -0.7536 -0.6074 -0.6074
-0.5446 -0.5446 -0.5347 -0.5347 -0.2096 -0.2096 0.1166 0.1166
8.8539 8.8539 10.0529 10.0529 10.1199 10.1199 11.3083 11.3083
11.4887 11.4887
k = 0.4653 0.5479 0.2644 ( 4427 PWs) bands (ev):
-24.8810 -24.8810 -24.7959 -24.7959 -20.9005 -20.9005 -20.7381 -20.7381
-19.7005 -19.7005 -19.6790 -19.6790 -8.9480 -8.9480 -8.7837 -8.7837
-8.6506 -8.6506 -8.3093 -8.3093 -8.1134 -8.1134 -8.0436 -8.0436
-5.0457 -5.0457 -4.5478 -4.5478 -1.5513 -1.5513 -1.3095 -1.3095
-1.0067 -1.0067 -0.9035 -0.9035 -0.7175 -0.7175 -0.6057 -0.6057
-0.5475 -0.5475 -0.5194 -0.5194 -0.2348 -0.2348 0.1003 0.1003
8.8741 8.8741 10.0894 10.0894 10.1454 10.1454 11.3181 11.3181
11.4731 11.4731
k = 0.4722 0.5560 0.2518 ( 4423 PWs) bands (ev):
-24.8846 -24.8846 -24.7933 -24.7933 -20.8956 -20.8956 -20.7268 -20.7268
-19.7090 -19.7090 -19.6881 -19.6881 -8.9534 -8.9534 -8.7879 -8.7879
-8.6623 -8.6623 -8.2935 -8.2935 -8.1016 -8.1016 -8.0310 -8.0310
-5.0724 -5.0724 -4.5572 -4.5572 -1.5508 -1.5508 -1.2887 -1.2887
-1.0019 -1.0019 -0.9082 -0.9082 -0.6841 -0.6841 -0.6041 -0.6041
-0.5506 -0.5506 -0.5027 -0.5027 -0.2589 -0.2589 0.0839 0.0839
8.8968 8.8968 10.1266 10.1266 10.1691 10.1691 11.3259 11.3259
11.4593 11.4593
k = 0.4792 0.5642 0.2391 ( 4420 PWs) bands (ev):
-24.8881 -24.8881 -24.7907 -24.7907 -20.8908 -20.8908 -20.7158 -20.7158
-19.7173 -19.7173 -19.6972 -19.6972 -8.9585 -8.9585 -8.7920 -8.7920
-8.6735 -8.6735 -8.2788 -8.2788 -8.0902 -8.0902 -8.0181 -8.0181
-5.0983 -5.0983 -4.5665 -4.5665 -1.5500 -1.5500 -1.2680 -1.2680
-0.9976 -0.9976 -0.9134 -0.9134 -0.6538 -0.6538 -0.6026 -0.6026
-0.5537 -0.5537 -0.4841 -0.4841 -0.2818 -0.2818 0.0674 0.0674
8.9222 8.9222 10.1636 10.1636 10.1912 10.1912 11.3316 11.3316
11.4472 11.4472
k = 0.4861 0.5724 0.2265 ( 4418 PWs) bands (ev):
-24.8916 -24.8916 -24.7881 -24.7881 -20.8860 -20.8860 -20.7049 -20.7049
-19.7253 -19.7253 -19.7062 -19.7062 -8.9631 -8.9631 -8.7957 -8.7957
-8.6843 -8.6843 -8.2653 -8.2653 -8.0790 -8.0790 -8.0050 -8.0050
-5.1233 -5.1233 -4.5755 -4.5755 -1.5488 -1.5488 -1.2476 -1.2476
-0.9938 -0.9938 -0.9191 -0.9191 -0.6271 -0.6271 -0.6012 -0.6012
-0.5569 -0.5569 -0.4636 -0.4636 -0.3035 -0.3035 0.0509 0.0509
8.9499 8.9499 10.1962 10.1962 10.2149 10.2149 11.3354 11.3354
11.4366 11.4366
k = 0.4931 0.5806 0.2139 ( 4414 PWs) bands (ev):
-24.8950 -24.8950 -24.7856 -24.7856 -20.8814 -20.8814 -20.6943 -20.6943
-19.7331 -19.7331 -19.7150 -19.7150 -8.9674 -8.9674 -8.7992 -8.7992
-8.6946 -8.6946 -8.2533 -8.2533 -8.0682 -8.0682 -7.9918 -7.9918
-5.1472 -5.1472 -4.5843 -4.5843 -1.5472 -1.5472 -1.2275 -1.2275
-0.9905 -0.9905 -0.9250 -0.9250 -0.6042 -0.6042 -0.5999 -0.5999
-0.5601 -0.5601 -0.4409 -0.4409 -0.3238 -0.3238 0.0345 0.0345
8.9800 8.9800 10.2151 10.2151 10.2486 10.2486 11.3375 11.3375
11.4274 11.4274
k = 0.5000 0.5887 0.2012 ( 4420 PWs) bands (ev):
-24.8983 -24.8983 -24.7830 -24.7830 -20.8769 -20.8769 -20.6841 -20.6841
-19.7406 -19.7406 -19.7237 -19.7237 -8.9714 -8.9714 -8.8025 -8.8025
-8.7044 -8.7044 -8.2427 -8.2427 -8.0577 -8.0577 -7.9785 -7.9785
-5.1701 -5.1701 -4.5928 -4.5928 -1.5452 -1.5452 -1.2080 -1.2080
-0.9877 -0.9877 -0.9311 -0.9311 -0.5990 -0.5990 -0.5848 -0.5848
-0.5634 -0.5634 -0.4167 -0.4167 -0.3425 -0.3425 0.0183 0.0183
9.0123 9.0123 10.2247 10.2247 10.2866 10.2866 11.3380 11.3380
11.4194 11.4194
k = 0.5000 0.5887 0.2012 ( 4420 PWs) bands (ev):
-24.8983 -24.8983 -24.7830 -24.7830 -20.8769 -20.8769 -20.6841 -20.6841
-19.7406 -19.7406 -19.7237 -19.7237 -8.9714 -8.9714 -8.8025 -8.8025
-8.7044 -8.7044 -8.2427 -8.2427 -8.0577 -8.0577 -7.9785 -7.9785
-5.1701 -5.1701 -4.5928 -4.5928 -1.5452 -1.5452 -1.2080 -1.2080
-0.9877 -0.9877 -0.9311 -0.9311 -0.5990 -0.5990 -0.5848 -0.5848
-0.5634 -0.5634 -0.4167 -0.4167 -0.3425 -0.3425 0.0183 0.0183
9.0123 9.0123 10.2247 10.2247 10.2866 10.2866 11.3380 11.3380
11.4194 11.4194
k = 0.5000 0.5887 0.1858 ( 4416 PWs) bands (ev):
-24.9023 -24.9023 -24.7800 -24.7800 -20.8715 -20.8715 -20.6720 -20.6720
-19.7493 -19.7493 -19.7339 -19.7339 -8.9759 -8.9759 -8.8062 -8.8062
-8.7156 -8.7156 -8.2314 -8.2314 -8.0450 -8.0450 -7.9622 -7.9622
-5.1967 -5.1967 -4.6027 -4.6027 -1.5427 -1.5427 -1.1851 -1.1851
-0.9846 -0.9846 -0.9384 -0.9384 -0.5979 -0.5979 -0.5674 -0.5674
-0.5652 -0.5652 -0.3878 -0.3878 -0.3614 -0.3614 -0.0012 -0.0012
9.0529 9.0529 10.2321 10.2321 10.3334 10.3334 11.3383 11.3383
11.4104 11.4104
k = 0.5000 0.5887 0.1703 ( 4420 PWs) bands (ev):
-24.9060 -24.9060 -24.7771 -24.7771 -20.8664 -20.8664 -20.6604 -20.6604
-19.7576 -19.7576 -19.7438 -19.7438 -8.9803 -8.9803 -8.8097 -8.8097
-8.7260 -8.7260 -8.2219 -8.2219 -8.0324 -8.0324 -7.9461 -7.9461
-5.2215 -5.2215 -4.6120 -4.6120 -1.5403 -1.5403 -1.1636 -1.1636
-0.9819 -0.9819 -0.9452 -0.9452 -0.5969 -0.5969 -0.5710 -0.5710
-0.5496 -0.5496 -0.3876 -0.3876 -0.3491 -0.3491 -0.0201 -0.0201
9.0925 9.0925 10.2389 10.2389 10.3789 10.3789 11.3391 11.3391
11.4020 11.4020
k = 0.5000 0.5887 0.1548 ( 4412 PWs) bands (ev):
-24.9094 -24.9094 -24.7744 -24.7744 -20.8617 -20.8617 -20.6495 -20.6495
-19.7653 -19.7653 -19.7532 -19.7532 -8.9845 -8.9845 -8.8131 -8.8131
-8.7353 -8.7353 -8.2138 -8.2138 -8.0202 -8.0202 -7.9306 -7.9306
-5.2444 -5.2444 -4.6207 -4.6207 -1.5381 -1.5381 -1.1442 -1.1442
-0.9795 -0.9795 -0.9508 -0.9508 -0.5960 -0.5960 -0.5744 -0.5744
-0.5368 -0.5368 -0.4039 -0.4039 -0.3190 -0.3190 -0.0384 -0.0384
9.1308 9.1308 10.2451 10.2451 10.4226 10.4226 11.3402 11.3402
11.3941 11.3941
k = 0.5000 0.5887 0.1393 ( 4406 PWs) bands (ev):
-24.9126 -24.9126 -24.7720 -24.7720 -20.8572 -20.8572 -20.6393 -20.6393
-19.7723 -19.7723 -19.7619 -19.7619 -8.9885 -8.9885 -8.8163 -8.8163
-8.7438 -8.7438 -8.2071 -8.2071 -8.0086 -8.0086 -7.9157 -7.9157
-5.2653 -5.2653 -4.6288 -4.6288 -1.5362 -1.5362 -1.1274 -1.1274
-0.9775 -0.9775 -0.9546 -0.9546 -0.5952 -0.5952 -0.5776 -0.5776
-0.5262 -0.5262 -0.4194 -0.4194 -0.2893 -0.2893 -0.0557 -0.0557
9.1675 9.1675 10.2508 10.2508 10.4641 10.4641 11.3417 11.3417
11.3867 11.3867
k = 0.5000 0.5887 0.1238 ( 4410 PWs) bands (ev):
-24.9155 -24.9155 -24.7697 -24.7697 -20.8532 -20.8532 -20.6299 -20.6299
-19.7788 -19.7788 -19.7701 -19.7701 -8.9923 -8.9923 -8.8193 -8.8193
-8.7513 -8.7513 -8.2015 -8.2015 -7.9977 -7.9977 -7.9018 -7.9018
-5.2843 -5.2843 -4.6361 -4.6361 -1.5344 -1.5344 -1.1139 -1.1139
-0.9756 -0.9756 -0.9562 -0.9562 -0.5944 -0.5944 -0.5804 -0.5804
-0.5175 -0.5175 -0.4333 -0.4333 -0.2615 -0.2615 -0.0719 -0.0719
9.2021 9.2021 10.2558 10.2558 10.5028 10.5028 11.3434 11.3434
11.3800 11.3800
k = 0.5000 0.5887 0.1084 ( 4410 PWs) bands (ev):
-24.9181 -24.9181 -24.7677 -24.7677 -20.8495 -20.8495 -20.6214 -20.6214
-19.7845 -19.7845 -19.7775 -19.7775 -8.9958 -8.9958 -8.8221 -8.8221
-8.7578 -8.7578 -8.1968 -8.1968 -7.9877 -7.9877 -7.8890 -7.8890
-5.3012 -5.3012 -4.6427 -4.6427 -1.5328 -1.5328 -1.1041 -1.1041
-0.9735 -0.9735 -0.9556 -0.9556 -0.5937 -0.5937 -0.5830 -0.5830
-0.5102 -0.5102 -0.4455 -0.4455 -0.2364 -0.2364 -0.0866 -0.0866
9.2342 9.2342 10.2603 10.2603 10.5383 10.5383 11.3452 11.3452
11.3740 11.3740
k = 0.5000 0.5887 0.0929 ( 4410 PWs) bands (ev):
-24.9203 -24.9203 -24.7659 -24.7659 -20.8463 -20.8463 -20.6139 -20.6139
-19.7896 -19.7896 -19.7840 -19.7840 -8.9989 -8.9989 -8.8246 -8.8246
-8.7634 -8.7634 -8.1931 -8.1931 -7.9789 -7.9789 -7.8775 -7.8775
-5.3160 -5.3160 -4.6485 -4.6485 -1.5315 -1.5315 -1.0980 -1.0980
-0.9709 -0.9709 -0.9532 -0.9532 -0.5930 -0.5930 -0.5852 -0.5852
-0.5043 -0.5043 -0.4561 -0.4561 -0.2144 -0.2144 -0.0995 -0.0995
9.2633 9.2633 10.2642 10.2642 10.5700 10.5700 11.3470 11.3470
11.3687 11.3687
k = 0.5000 0.5887 0.0774 ( 4394 PWs) bands (ev):
-24.9222 -24.9222 -24.7644 -24.7644 -20.8436 -20.8436 -20.6073 -20.6073
-19.7940 -19.7940 -19.7897 -19.7897 -9.0016 -9.0016 -8.8268 -8.8268
-8.7681 -8.7681 -8.1900 -8.1900 -7.9712 -7.9712 -7.8675 -7.8675
-5.3286 -5.3286 -4.6534 -4.6534 -1.5303 -1.5303 -1.0950 -1.0950
-0.9681 -0.9681 -0.9491 -0.9491 -0.5925 -0.5925 -0.5871 -0.5871
-0.4996 -0.4996 -0.4651 -0.4651 -0.1960 -0.1960 -0.1102 -0.1102
9.2889 9.2889 10.2674 10.2674 10.5976 10.5976 11.3488 11.3488
11.3642 11.3642
k = 0.5000 0.5887 0.0619 ( 4394 PWs) bands (ev):
-24.9238 -24.9238 -24.7631 -24.7631 -20.8413 -20.8413 -20.6019 -20.6019
-19.7976 -19.7976 -19.7944 -19.7944 -9.0039 -9.0039 -8.8286 -8.8286
-8.7718 -8.7718 -8.1876 -8.1876 -7.9648 -7.9648 -7.8591 -7.8591
-5.3389 -5.3389 -4.6574 -4.6574 -1.5294 -1.5294 -1.0942 -1.0942
-0.9657 -0.9657 -0.9440 -0.9440 -0.5920 -0.5920 -0.5887 -0.5887
-0.4961 -0.4961 -0.4722 -0.4722 -0.1819 -0.1819 -0.1181 -0.1181
9.3106 9.3106 10.2701 10.2701 10.6206 10.6206 11.3503 11.3503
11.3605 11.3605
k = 0.5000 0.5887 0.0464 ( 4390 PWs) bands (ev):
-24.9251 -24.9251 -24.7621 -24.7621 -20.8395 -20.8395 -20.5976 -20.5976
-19.8005 -19.8005 -19.7981 -19.7981 -9.0057 -9.0057 -8.8301 -8.8301
-8.7747 -8.7747 -8.1858 -8.1858 -7.9597 -7.9597 -7.8524 -7.8524
-5.3470 -5.3470 -4.6607 -4.6607 -1.5286 -1.5286 -1.0945 -1.0945
-0.9639 -0.9639 -0.9387 -0.9387 -0.5916 -0.5916 -0.5899 -0.5899
-0.4938 -0.4938 -0.4775 -0.4775 -0.1725 -0.1725 -0.1227 -0.1227
9.3279 9.3279 10.2721 10.2721 10.6388 10.6388 11.3515 11.3515
11.3577 11.3577
k = 0.5000 0.5887 0.0310 ( 4390 PWs) bands (ev):
-24.9260 -24.9260 -24.7614 -24.7614 -20.8381 -20.8381 -20.5945 -20.5945
-19.8027 -19.8027 -19.8007 -19.8007 -9.0070 -9.0070 -8.8311 -8.8311
-8.7768 -8.7768 -8.1845 -8.1845 -7.9561 -7.9561 -7.8476 -7.8476
-5.3528 -5.3528 -4.6630 -4.6630 -1.5281 -1.5281 -1.0953 -1.0953
-0.9627 -0.9627 -0.9341 -0.9341 -0.5914 -0.5914 -0.5907 -0.5907
-0.4929 -0.4929 -0.4807 -0.4807 -0.1676 -0.1676 -0.1242 -0.1242
9.3406 9.3406 10.2736 10.2736 10.6519 10.6519 11.3522 11.3522
11.3558 11.3558
k = 0.5000 0.5887 0.0155 ( 4396 PWs) bands (ev):
-24.9265 -24.9265 -24.7610 -24.7610 -20.8374 -20.8374 -20.5927 -20.5927
-19.8041 -19.8041 -19.8022 -19.8022 -9.0078 -9.0078 -8.8318 -8.8318
-8.7780 -8.7780 -8.1838 -8.1838 -7.9539 -7.9539 -7.8446 -7.8446
-5.3563 -5.3563 -4.6644 -4.6644 -1.5278 -1.5278 -1.0960 -1.0960
-0.9620 -0.9620 -0.9311 -0.9311 -0.5914 -0.5914 -0.5910 -0.5910
-0.4929 -0.4929 -0.4820 -0.4820 -0.1659 -0.1659 -0.1239 -0.1239
9.3483 9.3483 10.2745 10.2745 10.6599 10.6599 11.3524 11.3524
11.3550 11.3550
k = 0.5000 0.5887-0.0000 ( 4406 PWs) bands (ev):
-24.9267 -24.9267 -24.7609 -24.7609 -20.8371 -20.8371 -20.5920 -20.5920
-19.8045 -19.8045 -19.8027 -19.8027 -9.0081 -9.0081 -8.8320 -8.8320
-8.7784 -8.7784 -8.1836 -8.1836 -7.9532 -7.9532 -7.8437 -7.8437
-5.3575 -5.3575 -4.6648 -4.6648 -1.5277 -1.5277 -1.0963 -1.0963
-0.9618 -0.9618 -0.9301 -0.9301 -0.5915 -0.5915 -0.5910 -0.5910
-0.4931 -0.4931 -0.4823 -0.4823 -0.1656 -0.1656 -0.1236 -0.1236
9.3509 9.3509 10.2748 10.2748 10.6625 10.6625 11.3523 11.3523
11.3549 11.3549
k = 0.0000 0.0000 0.6560 ( 4410 PWs) bands (ev):
-24.8609 -24.8609 -24.7882 -24.7882 -21.0059 -21.0059 -20.9730 -20.9730
-19.5062 -19.5062 -19.4983 -19.4983 -8.8869 -8.8869 -8.7982 -8.7982
-8.6586 -8.6586 -8.4099 -8.4099 -8.3117 -8.3117 -8.1400 -8.1400
-4.3346 -4.3346 -4.3084 -4.3084 -1.7139 -1.7139 -1.6906 -1.6906
-1.6236 -1.6236 -1.0596 -1.0596 -0.8888 -0.8888 -0.8488 -0.8488
-0.6270 -0.6270 -0.4567 -0.4567 0.3895 0.3895 0.4070 0.4070
8.2504 8.2504 9.4114 9.4114 10.0098 10.0098 11.4868 11.4868
11.6291 11.6291
k = 0.0104 0.0123 0.6560 ( 4414 PWs) bands (ev):
-24.8608 -24.8608 -24.7883 -24.7883 -21.0059 -21.0059 -20.9730 -20.9730
-19.5062 -19.5062 -19.4983 -19.4983 -8.8864 -8.8864 -8.7982 -8.7982
-8.6585 -8.6585 -8.4099 -8.4099 -8.3118 -8.3118 -8.1407 -8.1407
-4.3345 -4.3345 -4.3084 -4.3084 -1.7139 -1.7139 -1.6906 -1.6906
-1.6230 -1.6230 -1.0603 -1.0603 -0.8888 -0.8888 -0.8489 -0.8489
-0.6267 -0.6267 -0.4569 -0.4569 0.3895 0.3895 0.4069 0.4069
8.2531 8.2531 9.4122 9.4122 10.0095 10.0095 11.4812 11.4812
11.6309 11.6309
k = 0.0208 0.0245 0.6560 ( 4422 PWs) bands (ev):
-24.8606 -24.8606 -24.7886 -24.7886 -21.0058 -21.0058 -20.9731 -20.9731
-19.5062 -19.5062 -19.4983 -19.4983 -8.8849 -8.8849 -8.7980 -8.7980
-8.6583 -8.6583 -8.4098 -8.4098 -8.3120 -8.3120 -8.1428 -8.1428
-4.3345 -4.3345 -4.3085 -4.3085 -1.7139 -1.7139 -1.6906 -1.6906
-1.6214 -1.6214 -1.0622 -1.0622 -0.8887 -0.8887 -0.8491 -0.8491
-0.6260 -0.6260 -0.4573 -0.4573 0.3896 0.3896 0.4069 0.4069
8.2613 8.2613 9.4147 9.4147 10.0085 10.0085 11.4644 11.4644
11.6363 11.6363
k = 0.0312 0.0368 0.6560 ( 4422 PWs) bands (ev):
-24.8602 -24.8602 -24.7889 -24.7889 -21.0056 -21.0056 -20.9733 -20.9733
-19.5061 -19.5061 -19.4983 -19.4983 -8.8824 -8.8824 -8.7977 -8.7977
-8.6580 -8.6580 -8.4097 -8.4097 -8.3123 -8.3123 -8.1462 -8.1462
-4.3344 -4.3344 -4.3087 -4.3087 -1.7139 -1.7139 -1.6907 -1.6907
-1.6187 -1.6187 -1.0653 -1.0653 -0.8885 -0.8885 -0.8495 -0.8495
-0.6249 -0.6249 -0.4581 -0.4581 0.3897 0.3897 0.4068 0.4068
8.2750 8.2750 9.4188 9.4188 10.0068 10.0068 11.4370 11.4370
11.6454 11.6454
k = 0.0417 0.0491 0.6560 ( 4424 PWs) bands (ev):
-24.8596 -24.8596 -24.7895 -24.7895 -21.0054 -21.0054 -20.9736 -20.9736
-19.5061 -19.5061 -19.4984 -19.4984 -8.8790 -8.8790 -8.7972 -8.7972
-8.6574 -8.6574 -8.4094 -8.4094 -8.3129 -8.3129 -8.1510 -8.1510
-4.3342 -4.3342 -4.3089 -4.3089 -1.7138 -1.7138 -1.6909 -1.6909
-1.6148 -1.6148 -1.0697 -1.0697 -0.8883 -0.8883 -0.8499 -0.8499
-0.6233 -0.6233 -0.4591 -0.4591 0.3898 0.3898 0.4066 0.4066
8.2940 8.2940 9.4246 9.4246 10.0045 10.0045 11.3996 11.3996
11.6581 11.6581
k = 0.0521 0.0613 0.6560 ( 4416 PWs) bands (ev):
-24.8590 -24.8590 -24.7902 -24.7902 -21.0051 -21.0051 -20.9739 -20.9739
-19.5060 -19.5060 -19.4985 -19.4985 -8.8747 -8.8747 -8.7967 -8.7967
-8.6566 -8.6566 -8.4091 -8.4091 -8.3135 -8.3135 -8.1571 -8.1571
-4.3340 -4.3340 -4.3092 -4.3092 -1.7137 -1.7137 -1.6911 -1.6911
-1.6099 -1.6099 -1.0753 -1.0753 -0.8880 -0.8880 -0.8505 -0.8505
-0.6213 -0.6213 -0.4604 -0.4604 0.3900 0.3900 0.4065 0.4065
8.3184 8.3184 9.4319 9.4319 10.0014 10.0014 11.3530 11.3530
11.6745 11.6745
k = 0.0625 0.0736 0.6560 ( 4418 PWs) bands (ev):
-24.8581 -24.8581 -24.7910 -24.7910 -21.0047 -21.0047 -20.9743 -20.9743
-19.5059 -19.5059 -19.4986 -19.4986 -8.8696 -8.8696 -8.7960 -8.7960
-8.6556 -8.6556 -8.4088 -8.4088 -8.3143 -8.3143 -8.1644 -8.1644
-4.3338 -4.3338 -4.3096 -4.3096 -1.7136 -1.7136 -1.6913 -1.6913
-1.6039 -1.6039 -1.0820 -1.0820 -0.8877 -0.8877 -0.8512 -0.8512
-0.6188 -0.6188 -0.4620 -0.4620 0.3901 0.3901 0.4063 0.4063
8.3481 8.3481 9.4408 9.4408 9.9976 9.9976 11.2980 11.2980
11.6944 11.6944
k = 0.0729 0.0859 0.6560 ( 4424 PWs) bands (ev):
-24.8572 -24.8572 -24.7920 -24.7920 -21.0042 -21.0042 -20.9747 -20.9747
-19.5058 -19.5058 -19.4987 -19.4987 -8.8638 -8.8638 -8.7952 -8.7952
-8.6543 -8.6543 -8.4085 -8.4085 -8.3151 -8.3151 -8.1730 -8.1730
-4.3335 -4.3335 -4.3100 -4.3100 -1.7135 -1.7135 -1.6917 -1.6917
-1.5967 -1.5967 -1.0900 -1.0900 -0.8873 -0.8873 -0.8520 -0.8520
-0.6160 -0.6160 -0.4639 -0.4639 0.3904 0.3904 0.4060 0.4060
8.3830 8.3830 9.4512 9.4512 9.9930 9.9930 11.2355 11.2355
11.7179 11.7179
k = 0.0833 0.0981 0.6560 ( 4422 PWs) bands (ev):
-24.8561 -24.8561 -24.7932 -24.7932 -21.0037 -21.0037 -20.9752 -20.9752
-19.5057 -19.5057 -19.4988 -19.4988 -8.8572 -8.8572 -8.7944 -8.7944
-8.6525 -8.6525 -8.4083 -8.4083 -8.3161 -8.3161 -8.1827 -8.1827
-4.3332 -4.3332 -4.3105 -4.3105 -1.7134 -1.7134 -1.6922 -1.6922
-1.5885 -1.5885 -1.0991 -1.0991 -0.8868 -0.8868 -0.8529 -0.8529
-0.6128 -0.6128 -0.4661 -0.4661 0.3906 0.3906 0.4058 0.4058
8.4230 8.4230 9.4629 9.4629 9.9876 9.9876 11.1662 11.1662
11.7449 11.7449
k = 0.0938 0.1104 0.6560 ( 4422 PWs) bands (ev):
-24.8548 -24.8548 -24.7944 -24.7944 -21.0032 -21.0032 -20.9758 -20.9758
-19.5055 -19.5055 -19.4990 -19.4990 -8.8502 -8.8502 -8.7934 -8.7934
-8.6503 -8.6503 -8.4081 -8.4081 -8.3173 -8.3173 -8.1934 -8.1934
-4.3328 -4.3328 -4.3110 -4.3110 -1.7132 -1.7132 -1.6928 -1.6928
-1.5793 -1.5793 -1.1092 -1.1092 -0.8863 -0.8863 -0.8538 -0.8538
-0.6092 -0.6092 -0.4685 -0.4685 0.3909 0.3909 0.4055 0.4055
8.4681 8.4681 9.4761 9.4761 9.9812 9.9812 11.0909 11.0909
11.7755 11.7755
k = 0.1042 0.1227 0.6560 ( 4416 PWs) bands (ev):
-24.8535 -24.8535 -24.7958 -24.7958 -21.0026 -21.0026 -20.9764 -20.9764
-19.5054 -19.5054 -19.4991 -19.4991 -8.8428 -8.8428 -8.7924 -8.7924
-8.6475 -8.6475 -8.4080 -8.4080 -8.3185 -8.3185 -8.2050 -8.2050
-4.3324 -4.3324 -4.3116 -4.3116 -1.7130 -1.7130 -1.6934 -1.6934
-1.5690 -1.5690 -1.1203 -1.1203 -0.8857 -0.8857 -0.8549 -0.8549
-0.6053 -0.6053 -0.4712 -0.4712 0.3913 0.3913 0.4051 0.4051
8.5180 8.5180 9.4905 9.4905 9.9740 9.9740 11.0104 11.0104
11.8096 11.8096
k = 0.1146 0.1349 0.6560 ( 4408 PWs) bands (ev):
-24.8520 -24.8520 -24.7973 -24.7973 -21.0019 -21.0019 -20.9771 -20.9771
-19.5052 -19.5052 -19.4993 -19.4993 -8.8352 -8.8352 -8.7912 -8.7912
-8.6439 -8.6439 -8.4080 -8.4080 -8.3198 -8.3198 -8.2173 -8.2173
-4.3319 -4.3319 -4.3122 -4.3122 -1.7128 -1.7128 -1.6941 -1.6941
-1.5578 -1.5578 -1.1325 -1.1325 -0.8850 -0.8850 -0.8559 -0.8559
-0.6012 -0.6012 -0.4742 -0.4742 0.3916 0.3916 0.4048 0.4048
8.5727 8.5727 9.5062 9.5062 9.9658 9.9658 10.9252 10.9252
11.8471 11.8471
k = 0.1250 0.1472 0.6560 ( 4416 PWs) bands (ev):
-24.8503 -24.8503 -24.7990 -24.7990 -21.0011 -21.0011 -20.9778 -20.9778
-19.5050 -19.5050 -19.4995 -19.4995 -8.8275 -8.8275 -8.7901 -8.7901
-8.6396 -8.6396 -8.4084 -8.4084 -8.3211 -8.3211 -8.2303 -8.2303
-4.3314 -4.3314 -4.3129 -4.3129 -1.7126 -1.7126 -1.6949 -1.6949
-1.5456 -1.5456 -1.1455 -1.1455 -0.8843 -0.8843 -0.8571 -0.8571
-0.5967 -0.5967 -0.4774 -0.4774 0.3920 0.3920 0.4044 0.4044
8.6320 8.6320 9.5229 9.5229 9.9566 9.9566 10.8360 10.8360
11.8880 11.8880
k = 0.1354 0.1594 0.6560 ( 4422 PWs) bands (ev):
-24.8486 -24.8486 -24.8007 -24.8007 -21.0004 -21.0004 -20.9786 -20.9786
-19.5048 -19.5048 -19.4997 -19.4997 -8.8201 -8.8201 -8.7889 -8.7889
-8.6342 -8.6342 -8.4092 -8.4092 -8.3226 -8.3226 -8.2437 -8.2437
-4.3309 -4.3309 -4.3136 -4.3136 -1.7123 -1.7123 -1.6958 -1.6958
-1.5325 -1.5325 -1.1595 -1.1595 -0.8836 -0.8836 -0.8584 -0.8584
-0.5920 -0.5920 -0.4809 -0.4809 0.3924 0.3924 0.4039 0.4039
8.6958 8.6958 9.5407 9.5407 9.9464 9.9464 10.7433 10.7433
11.9323 11.9323
k = 0.1458 0.1717 0.6560 ( 4422 PWs) bands (ev):
-24.8468 -24.8468 -24.8026 -24.8026 -20.9996 -20.9996 -20.9795 -20.9795
-19.5046 -19.5046 -19.4999 -19.4999 -8.8129 -8.8129 -8.7876 -8.7876
-8.6278 -8.6278 -8.4105 -8.4105 -8.3241 -8.3241 -8.2572 -8.2572
-4.3303 -4.3303 -4.3143 -4.3143 -1.7120 -1.7120 -1.6967 -1.6967
-1.5186 -1.5186 -1.1742 -1.1742 -0.8828 -0.8828 -0.8596 -0.8596
-0.5871 -0.5871 -0.4846 -0.4846 0.3929 0.3929 0.4035 0.4035
8.7638 8.7638 9.5593 9.5593 9.9351 9.9351 10.6478 10.6478
11.9799 11.9799
k = 0.1562 0.1840 0.6560 ( 4424 PWs) bands (ev):
-24.8449 -24.8449 -24.8045 -24.8045 -20.9987 -20.9987 -20.9803 -20.9803
-19.5044 -19.5044 -19.5001 -19.5001 -8.8063 -8.8063 -8.7864 -8.7864
-8.6201 -8.6201 -8.4126 -8.4126 -8.3256 -8.3256 -8.2706 -8.2706
-4.3297 -4.3297 -4.3151 -4.3151 -1.7116 -1.7116 -1.6976 -1.6976
-1.5040 -1.5040 -1.1896 -1.1896 -0.8819 -0.8819 -0.8609 -0.8609
-0.5821 -0.5821 -0.4886 -0.4886 0.3933 0.3933 0.4030 0.4030
8.8359 8.8359 9.5788 9.5788 9.9228 9.9228 10.5498 10.5498
12.0308 12.0308
k = 0.1667 0.1962 0.6560 ( 4412 PWs) bands (ev):
-24.8429 -24.8429 -24.8066 -24.8066 -20.9978 -20.9978 -20.9812 -20.9812
-19.5041 -19.5041 -19.5003 -19.5003 -8.8003 -8.8003 -8.7851 -8.7851
-8.6111 -8.6111 -8.4158 -8.4158 -8.3270 -8.3270 -8.2835 -8.2835
-4.3290 -4.3290 -4.3159 -4.3159 -1.7112 -1.7112 -1.6986 -1.6986
-1.4886 -1.4886 -1.2057 -1.2057 -0.8810 -0.8810 -0.8622 -0.8622
-0.5768 -0.5768 -0.4927 -0.4927 0.3938 0.3938 0.4025 0.4025
8.9120 8.9120 9.5989 9.5989 9.9094 9.9094 10.4500 10.4500
12.0849 12.0849
k = 0.1771 0.2085 0.6560 ( 4416 PWs) bands (ev):
-24.8408 -24.8408 -24.8087 -24.8087 -20.9968 -20.9968 -20.9822 -20.9822
-19.5039 -19.5039 -19.5006 -19.5006 -8.7952 -8.7952 -8.7839 -8.7839
-8.6008 -8.6008 -8.4204 -8.4204 -8.3285 -8.3285 -8.2954 -8.2954
-4.3283 -4.3283 -4.3167 -4.3167 -1.7108 -1.7108 -1.6995 -1.6995
-1.4727 -1.4727 -1.2223 -1.2223 -0.8800 -0.8800 -0.8635 -0.8635
-0.5715 -0.5715 -0.4971 -0.4971 0.3943 0.3943 0.4020 0.4020
8.9917 8.9917 9.6195 9.6195 9.8949 9.8949 10.3487 10.3487
12.1421 12.1421
k = 0.1875 0.2208 0.6560 ( 4410 PWs) bands (ev):
-24.8386 -24.8386 -24.8109 -24.8109 -20.9958 -20.9958 -20.9832 -20.9832
-19.5037 -19.5037 -19.5008 -19.5008 -8.7908 -8.7908 -8.7828 -8.7828
-8.5892 -8.5892 -8.4268 -8.4268 -8.3299 -8.3299 -8.3059 -8.3059
-4.3276 -4.3276 -4.3176 -4.3176 -1.7103 -1.7103 -1.7005 -1.7005
-1.4561 -1.4561 -1.2395 -1.2395 -0.8790 -0.8790 -0.8648 -0.8648
-0.5660 -0.5660 -0.5017 -0.5017 0.3948 0.3948 0.4015 0.4015
9.0749 9.0749 9.6406 9.6406 9.8795 9.8795 10.2463 10.2463
12.2024 12.2024
k = 0.1979 0.2330 0.6560 ( 4410 PWs) bands (ev):
-24.8364 -24.8364 -24.8131 -24.8131 -20.9948 -20.9948 -20.9842 -20.9842
-19.5034 -19.5034 -19.5011 -19.5011 -8.7872 -8.7872 -8.7818 -8.7818
-8.5764 -8.5764 -8.4351 -8.4351 -8.3312 -8.3312 -8.3146 -8.3146
-4.3269 -4.3269 -4.3184 -4.3184 -1.7097 -1.7097 -1.7015 -1.7015
-1.4390 -1.4390 -1.2571 -1.2571 -0.8780 -0.8780 -0.8661 -0.8661
-0.5605 -0.5605 -0.5064 -0.5064 0.3954 0.3954 0.4010 0.4010
9.1614 9.1614 9.6619 9.6619 9.8630 9.8630 10.1434 10.1434
12.2657 12.2657
k = 0.2083 0.2453 0.6560 ( 4406 PWs) bands (ev):
-24.8342 -24.8342 -24.8154 -24.8154 -20.9938 -20.9938 -20.9852 -20.9852
-19.5031 -19.5031 -19.5013 -19.5013 -8.7844 -8.7844 -8.7808 -8.7808
-8.5626 -8.5626 -8.4454 -8.4454 -8.3323 -8.3323 -8.3215 -8.3215
-4.3261 -4.3261 -4.3193 -4.3193 -1.7091 -1.7091 -1.7024 -1.7024
-1.4215 -1.4215 -1.2751 -1.2751 -0.8769 -0.8769 -0.8674 -0.8674
-0.5549 -0.5549 -0.5113 -0.5113 0.3959 0.3959 0.4004 0.4004
9.2508 9.2508 9.6834 9.6834 9.8456 9.8456 10.0403 10.0403
12.3318 12.3318
k = 0.2188 0.2576 0.6560 ( 4402 PWs) bands (ev):
-24.8319 -24.8319 -24.8177 -24.8177 -20.9928 -20.9928 -20.9862 -20.9862
-19.5029 -19.5029 -19.5016 -19.5016 -8.7823 -8.7823 -8.7801 -8.7801
-8.5480 -8.5480 -8.4576 -8.4576 -8.3332 -8.3332 -8.3266 -8.3266
-4.3253 -4.3253 -4.3201 -4.3201 -1.7085 -1.7085 -1.7034 -1.7034
-1.4036 -1.4036 -1.2933 -1.2933 -0.8758 -0.8758 -0.8687 -0.8687
-0.5493 -0.5493 -0.5164 -0.5164 0.3965 0.3965 0.3999 0.3999
9.3429 9.3429 9.7050 9.7050 9.8273 9.8273 9.9374 9.9374
12.4007 12.4007
k = 0.2292 0.2698 0.6560 ( 4392 PWs) bands (ev):
-24.8295 -24.8295 -24.8200 -24.8200 -20.9917 -20.9917 -20.9873 -20.9873
-19.5026 -19.5026 -19.5019 -19.5019 -8.7808 -8.7808 -8.7796 -8.7796
-8.5327 -8.5327 -8.4713 -8.4713 -8.3337 -8.3337 -8.3301 -8.3301
-4.3245 -4.3245 -4.3210 -4.3210 -1.7078 -1.7078 -1.7043 -1.7043
-1.3855 -1.3855 -1.3117 -1.3117 -0.8746 -0.8746 -0.8700 -0.8700
-0.5437 -0.5437 -0.5216 -0.5216 0.3970 0.3970 0.3993 0.3993
9.4376 9.4376 9.7264 9.7264 9.8078 9.8078 9.8354 9.8354
12.4723 12.4723
k = 0.2396 0.2821 0.6560 ( 4404 PWs) bands (ev):
-24.8272 -24.8272 -24.8224 -24.8224 -20.9906 -20.9906 -20.9884 -20.9884
-19.5023 -19.5023 -19.5021 -19.5021 -8.7799 -8.7799 -8.7793 -8.7793
-8.5171 -8.5171 -8.4860 -8.4860 -8.3339 -8.3339 -8.3323 -8.3323
-4.3237 -4.3237 -4.3219 -4.3219 -1.7070 -1.7070 -1.7052 -1.7052
-1.3671 -1.3671 -1.3302 -1.3302 -0.8734 -0.8734 -0.8712 -0.8712
-0.5382 -0.5382 -0.5269 -0.5269 0.3976 0.3976 0.3988 0.3988
9.5343 9.5343 9.7330 9.7330 9.7476 9.7476 9.7889 9.7889
12.5464 12.5464
k = 0.2500 0.2944 0.6560 ( 4404 PWs) bands (ev):
-24.8248 -24.8248 -24.8248 -24.8248 -20.9897 -20.9897 -20.9894 -20.9894
-19.5024 -19.5024 -19.5021 -19.5021 -8.7794 -8.7794 -8.7794 -8.7794
-8.5014 -8.5014 -8.5014 -8.5014 -8.3335 -8.3335 -8.3335 -8.3335
-4.3229 -4.3229 -4.3226 -4.3226 -1.7062 -1.7062 -1.7060 -1.7060
-1.3488 -1.3488 -1.3485 -1.3485 -0.8725 -0.8725 -0.8722 -0.8722
-0.5327 -0.5327 -0.5324 -0.5324 0.3980 0.3980 0.3983 0.3983
9.6330 9.6330 9.6330 9.6330 9.7684 9.7684 9.7685 9.7685
12.6084 12.6084
Writing output data file KHF2.save
init_run : 0.24s CPU 0.39s WALL ( 1 calls)
electrons : 210.46s CPU 213.49s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.02s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 210.45s CPU 213.48s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.04s CPU 0.06s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.06s CPU 0.06s WALL ( 323 calls)
cegterg : 195.34s CPU 197.56s WALL ( 593 calls)
Called by sum_band:
Called by *egterg:
h_psi : 109.28s CPU 111.30s WALL ( 9401 calls)
s_psi : 10.34s CPU 10.47s WALL ( 9401 calls)
g_psi : 0.27s CPU 0.28s WALL ( 8485 calls)
cdiaghg : 67.08s CPU 67.71s WALL ( 8808 calls)
cegterg:over : 7.32s CPU 7.39s WALL ( 8485 calls)
cegterg:upda : 6.77s CPU 6.65s WALL ( 8485 calls)
cegterg:last : 3.14s CPU 3.18s WALL ( 1239 calls)
cdiaghg:chol : 4.02s CPU 3.78s WALL ( 8808 calls)
cdiaghg:inve : 2.54s CPU 2.60s WALL ( 8808 calls)
cdiaghg:para : 4.00s CPU 4.06s WALL ( 17616 calls)
Called by h_psi:
h_psi:vloc : 97.61s CPU 99.41s WALL ( 9401 calls)
h_psi:vnl : 11.40s CPU 11.60s WALL ( 9401 calls)
add_vuspsi : 5.40s CPU 5.58s WALL ( 9401 calls)
General routines
calbec : 5.98s CPU 5.99s WALL ( 9401 calls)
fft : 0.00s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 91.69s CPU 93.25s WALL ( 883716 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.23s CPU 0.26s WALL ( 646 calls)
Parallel routines
fft_scatter : 30.38s CPU 30.91s WALL ( 883739 calls)
PWSCF : 3m48.16s CPU 4m13.47s WALL
This run was terminated on: 18: 3:49 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=