Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:28
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:
./Si.save/
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 26 26 7 676 676 107
Max 27 27 8 681 681 112
Sum 959 959 287 24437 24437 3955
bravais-lattice index = 14
lattice parameter (alat) = 8.8328 a.u.
unit-cell volume = 620.1844 (a.u.)^3
number of atoms/cell = 8
number of atomic types = 1
number of electrons = 32.00
number of Kohn-Sham states= 40
kinetic-energy cutoff = 44.0000 Ry
charge density cutoff = 176.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 8.832845 celldm(2)= 1.000000 celldm(3)= 1.021792
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.473567
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.473567 0.880758 0.000000 )
a(3) = ( 0.000000 0.000000 1.021792 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.537682 -0.000000 )
b(2) = ( 0.000000 1.135386 -0.000000 )
b(3) = ( 0.000000 0.000000 0.978673 )
PseudoPot. # 1 for Si read from file:
/users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: b835890840a210e39275f4497a2439d5
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1141 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Si 4.00 28.08550 Si( 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 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.2632164 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.4403788 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.5108961 )
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 )
( 0 0 -1 ) ( 0.5000000 )
cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.2632164 )
( 0.0000000 1.0000000 -0.0000000 ) ( 0.4403788 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.5108961 )
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= 404 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 2) = ( 0.0075403 0.0126154 -0.0000000), wk = 0.0024752
k( 3) = ( 0.0150806 0.0252308 -0.0000000), wk = 0.0024752
k( 4) = ( 0.0226208 0.0378462 -0.0000000), wk = 0.0024752
k( 5) = ( 0.0301611 0.0504616 -0.0000000), wk = 0.0024752
k( 6) = ( 0.0377014 0.0630770 -0.0000000), wk = 0.0024752
k( 7) = ( 0.0452417 0.0756924 -0.0000000), wk = 0.0024752
k( 8) = ( 0.0527820 0.0883078 -0.0000000), wk = 0.0024752
k( 9) = ( 0.0603223 0.1009232 -0.0000000), wk = 0.0024752
k( 10) = ( 0.0678625 0.1135386 -0.0000000), wk = 0.0024752
k( 11) = ( 0.0754028 0.1261540 -0.0000000), wk = 0.0024752
k( 12) = ( 0.0829431 0.1387694 -0.0000000), wk = 0.0024752
k( 13) = ( 0.0904834 0.1513848 -0.0000000), wk = 0.0024752
k( 14) = ( 0.0980237 0.1640002 -0.0000000), wk = 0.0024752
k( 15) = ( 0.1055639 0.1766156 -0.0000000), wk = 0.0024752
k( 16) = ( 0.1131042 0.1892310 -0.0000000), wk = 0.0024752
k( 17) = ( 0.1206445 0.2018464 -0.0000000), wk = 0.0024752
k( 18) = ( 0.1281848 0.2144618 -0.0000000), wk = 0.0024752
k( 19) = ( 0.1357251 0.2270772 -0.0000000), wk = 0.0024752
k( 20) = ( 0.1432653 0.2396926 -0.0000000), wk = 0.0024752
k( 21) = ( 0.1508056 0.2523080 -0.0000000), wk = 0.0024752
k( 22) = ( 0.1583459 0.2649234 -0.0000000), wk = 0.0024752
k( 23) = ( 0.1658862 0.2775388 -0.0000000), wk = 0.0024752
k( 24) = ( 0.1734265 0.2901542 -0.0000000), wk = 0.0024752
k( 25) = ( 0.1809668 0.3027696 -0.0000000), wk = 0.0024752
k( 26) = ( 0.1885070 0.3153850 -0.0000000), wk = 0.0024752
k( 27) = ( 0.1960473 0.3280004 -0.0000000), wk = 0.0024752
k( 28) = ( 0.2035876 0.3406158 -0.0000000), wk = 0.0024752
k( 29) = ( 0.2111279 0.3532312 -0.0000000), wk = 0.0024752
k( 30) = ( 0.2186682 0.3658466 -0.0000000), wk = 0.0024752
k( 31) = ( 0.2262084 0.3784620 -0.0000000), wk = 0.0024752
k( 32) = ( 0.2337487 0.3910774 -0.0000000), wk = 0.0024752
k( 33) = ( 0.2412890 0.4036928 -0.0000000), wk = 0.0024752
k( 34) = ( 0.2488293 0.4163082 -0.0000000), wk = 0.0024752
k( 35) = ( 0.2563696 0.4289236 -0.0000000), wk = 0.0024752
k( 36) = ( 0.2639098 0.4415390 -0.0000000), wk = 0.0024752
k( 37) = ( 0.2714501 0.4541544 -0.0000000), wk = 0.0024752
k( 38) = ( 0.2789904 0.4667698 -0.0000000), wk = 0.0024752
k( 39) = ( 0.2865307 0.4793852 -0.0000000), wk = 0.0024752
k( 40) = ( 0.2940710 0.4920006 -0.0000000), wk = 0.0024752
k( 41) = ( 0.3016112 0.5046160 -0.0000000), wk = 0.0024752
k( 42) = ( 0.3091515 0.5172314 -0.0000000), wk = 0.0024752
k( 43) = ( 0.3166918 0.5298468 -0.0000000), wk = 0.0024752
k( 44) = ( 0.3242321 0.5424622 -0.0000000), wk = 0.0024752
k( 45) = ( 0.3317724 0.5550776 -0.0000000), wk = 0.0024752
k( 46) = ( 0.3393126 0.5676930 -0.0000000), wk = 0.0024752
k( 47) = ( 0.3393126 0.5676930 -0.0000000), wk = 0.0024752
k( 48) = ( 0.3245599 0.5676930 -0.0000000), wk = 0.0024752
k( 49) = ( 0.3098072 0.5676930 -0.0000000), wk = 0.0024752
k( 50) = ( 0.2950545 0.5676930 -0.0000000), wk = 0.0024752
k( 51) = ( 0.2803018 0.5676930 -0.0000000), wk = 0.0024752
k( 52) = ( 0.2655490 0.5676930 -0.0000000), wk = 0.0024752
k( 53) = ( 0.2507963 0.5676930 -0.0000000), wk = 0.0024752
k( 54) = ( 0.2360436 0.5676930 -0.0000000), wk = 0.0024752
k( 55) = ( 0.2212909 0.5676930 -0.0000000), wk = 0.0024752
k( 56) = ( 0.2065381 0.5676930 -0.0000000), wk = 0.0024752
k( 57) = ( 0.1917854 0.5676930 -0.0000000), wk = 0.0024752
k( 58) = ( 0.1770327 0.5676930 -0.0000000), wk = 0.0024752
k( 59) = ( 0.1622800 0.5676930 -0.0000000), wk = 0.0024752
k( 60) = ( 0.1475272 0.5676930 -0.0000000), wk = 0.0024752
k( 61) = ( 0.1327745 0.5676930 -0.0000000), wk = 0.0024752
k( 62) = ( 0.1180218 0.5676930 -0.0000000), wk = 0.0024752
k( 63) = ( 0.1032691 0.5676930 -0.0000000), wk = 0.0024752
k( 64) = ( 0.0885163 0.5676930 -0.0000000), wk = 0.0024752
k( 65) = ( 0.0737636 0.5676930 -0.0000000), wk = 0.0024752
k( 66) = ( 0.0590109 0.5676930 -0.0000000), wk = 0.0024752
k( 67) = ( 0.0442582 0.5676930 -0.0000000), wk = 0.0024752
k( 68) = ( 0.0295054 0.5676930 -0.0000000), wk = 0.0024752
k( 69) = ( 0.0147527 0.5676930 -0.0000000), wk = 0.0024752
k( 70) = ( 0.0000000 0.5676930 -0.0000000), wk = 0.0024752
k( 71) = ( 0.0000000 0.5676930 -0.0000000), wk = 0.0024752
k( 72) = ( 0.0000000 0.5676930 0.0148284), wk = 0.0024752
k( 73) = ( 0.0000000 0.5676930 0.0296567), wk = 0.0024752
k( 74) = ( 0.0000000 0.5676930 0.0444851), wk = 0.0024752
k( 75) = ( 0.0000000 0.5676930 0.0593135), wk = 0.0024752
k( 76) = ( 0.0000000 0.5676930 0.0741419), wk = 0.0024752
k( 77) = ( 0.0000000 0.5676930 0.0889702), wk = 0.0024752
k( 78) = ( 0.0000000 0.5676930 0.1037986), wk = 0.0024752
k( 79) = ( 0.0000000 0.5676930 0.1186270), wk = 0.0024752
k( 80) = ( 0.0000000 0.5676930 0.1334554), wk = 0.0024752
k( 81) = ( 0.0000000 0.5676930 0.1482837), wk = 0.0024752
k( 82) = ( 0.0000000 0.5676930 0.1631121), wk = 0.0024752
k( 83) = ( 0.0000000 0.5676930 0.1779405), wk = 0.0024752
k( 84) = ( 0.0000000 0.5676930 0.1927689), wk = 0.0024752
k( 85) = ( 0.0000000 0.5676930 0.2075972), wk = 0.0024752
k( 86) = ( 0.0000000 0.5676930 0.2224256), wk = 0.0024752
k( 87) = ( 0.0000000 0.5676930 0.2372540), wk = 0.0024752
k( 88) = ( 0.0000000 0.5676930 0.2520824), wk = 0.0024752
k( 89) = ( 0.0000000 0.5676930 0.2669107), wk = 0.0024752
k( 90) = ( 0.0000000 0.5676930 0.2817391), wk = 0.0024752
k( 91) = ( 0.0000000 0.5676930 0.2965675), wk = 0.0024752
k( 92) = ( 0.0000000 0.5676930 0.3113958), wk = 0.0024752
k( 93) = ( 0.0000000 0.5676930 0.3262242), wk = 0.0024752
k( 94) = ( 0.0000000 0.5676930 0.3410526), wk = 0.0024752
k( 95) = ( 0.0000000 0.5676930 0.3558810), wk = 0.0024752
k( 96) = ( 0.0000000 0.5676930 0.3707093), wk = 0.0024752
k( 97) = ( 0.0000000 0.5676930 0.3855377), wk = 0.0024752
k( 98) = ( 0.0000000 0.5676930 0.4003661), wk = 0.0024752
k( 99) = ( 0.0000000 0.5676930 0.4151945), wk = 0.0024752
k( 100) = ( 0.0000000 0.5676930 0.4300228), wk = 0.0024752
k( 101) = ( 0.0000000 0.5676930 0.4448512), wk = 0.0024752
k( 102) = ( 0.0000000 0.5676930 0.4596796), wk = 0.0024752
k( 103) = ( 0.0000000 0.5676930 0.4745079), wk = 0.0024752
k( 104) = ( 0.0000000 0.5676930 0.4893363), wk = 0.0024752
k( 105) = ( 0.0000000 0.5676930 0.4893363), wk = 0.0024752
k( 106) = ( 0.0147527 0.5676930 0.4893363), wk = 0.0024752
k( 107) = ( 0.0295054 0.5676930 0.4893363), wk = 0.0024752
k( 108) = ( 0.0442582 0.5676930 0.4893363), wk = 0.0024752
k( 109) = ( 0.0590109 0.5676930 0.4893363), wk = 0.0024752
k( 110) = ( 0.0737636 0.5676930 0.4893363), wk = 0.0024752
k( 111) = ( 0.0885163 0.5676930 0.4893363), wk = 0.0024752
k( 112) = ( 0.1032691 0.5676930 0.4893363), wk = 0.0024752
k( 113) = ( 0.1180218 0.5676930 0.4893363), wk = 0.0024752
k( 114) = ( 0.1327745 0.5676930 0.4893363), wk = 0.0024752
k( 115) = ( 0.1475272 0.5676930 0.4893363), wk = 0.0024752
k( 116) = ( 0.1622800 0.5676930 0.4893363), wk = 0.0024752
k( 117) = ( 0.1770327 0.5676930 0.4893363), wk = 0.0024752
k( 118) = ( 0.1917854 0.5676930 0.4893363), wk = 0.0024752
k( 119) = ( 0.2065381 0.5676930 0.4893363), wk = 0.0024752
k( 120) = ( 0.2212909 0.5676930 0.4893363), wk = 0.0024752
k( 121) = ( 0.2360436 0.5676930 0.4893363), wk = 0.0024752
k( 122) = ( 0.2507963 0.5676930 0.4893363), wk = 0.0024752
k( 123) = ( 0.2655490 0.5676930 0.4893363), wk = 0.0024752
k( 124) = ( 0.2803018 0.5676930 0.4893363), wk = 0.0024752
k( 125) = ( 0.2950545 0.5676930 0.4893363), wk = 0.0024752
k( 126) = ( 0.3098072 0.5676930 0.4893363), wk = 0.0024752
k( 127) = ( 0.3245599 0.5676930 0.4893363), wk = 0.0024752
k( 128) = ( 0.3393126 0.5676930 0.4893363), wk = 0.0024752
k( 129) = ( 0.3393126 0.5676930 0.4893363), wk = 0.0024752
k( 130) = ( 0.3317724 0.5550776 0.4893363), wk = 0.0024752
k( 131) = ( 0.3242321 0.5424622 0.4893363), wk = 0.0024752
k( 132) = ( 0.3166918 0.5298468 0.4893363), wk = 0.0024752
k( 133) = ( 0.3091515 0.5172314 0.4893363), wk = 0.0024752
k( 134) = ( 0.3016112 0.5046160 0.4893363), wk = 0.0024752
k( 135) = ( 0.2940710 0.4920006 0.4893363), wk = 0.0024752
k( 136) = ( 0.2865307 0.4793852 0.4893363), wk = 0.0024752
k( 137) = ( 0.2789904 0.4667698 0.4893363), wk = 0.0024752
k( 138) = ( 0.2714501 0.4541544 0.4893363), wk = 0.0024752
k( 139) = ( 0.2639098 0.4415390 0.4893363), wk = 0.0024752
k( 140) = ( 0.2563696 0.4289236 0.4893363), wk = 0.0024752
k( 141) = ( 0.2488293 0.4163082 0.4893363), wk = 0.0024752
k( 142) = ( 0.2412890 0.4036928 0.4893363), wk = 0.0024752
k( 143) = ( 0.2337487 0.3910774 0.4893363), wk = 0.0024752
k( 144) = ( 0.2262084 0.3784620 0.4893363), wk = 0.0024752
k( 145) = ( 0.2186682 0.3658466 0.4893363), wk = 0.0024752
k( 146) = ( 0.2111279 0.3532312 0.4893363), wk = 0.0024752
k( 147) = ( 0.2035876 0.3406158 0.4893363), wk = 0.0024752
k( 148) = ( 0.1960473 0.3280004 0.4893363), wk = 0.0024752
k( 149) = ( 0.1885070 0.3153850 0.4893363), wk = 0.0024752
k( 150) = ( 0.1809668 0.3027696 0.4893363), wk = 0.0024752
k( 151) = ( 0.1734265 0.2901542 0.4893363), wk = 0.0024752
k( 152) = ( 0.1658862 0.2775388 0.4893363), wk = 0.0024752
k( 153) = ( 0.1583459 0.2649234 0.4893363), wk = 0.0024752
k( 154) = ( 0.1508056 0.2523080 0.4893363), wk = 0.0024752
k( 155) = ( 0.1432653 0.2396926 0.4893363), wk = 0.0024752
k( 156) = ( 0.1357251 0.2270772 0.4893363), wk = 0.0024752
k( 157) = ( 0.1281848 0.2144618 0.4893363), wk = 0.0024752
k( 158) = ( 0.1206445 0.2018464 0.4893363), wk = 0.0024752
k( 159) = ( 0.1131042 0.1892310 0.4893363), wk = 0.0024752
k( 160) = ( 0.1055639 0.1766156 0.4893363), wk = 0.0024752
k( 161) = ( 0.0980237 0.1640002 0.4893363), wk = 0.0024752
k( 162) = ( 0.0904834 0.1513848 0.4893363), wk = 0.0024752
k( 163) = ( 0.0829431 0.1387694 0.4893363), wk = 0.0024752
k( 164) = ( 0.0754028 0.1261540 0.4893363), wk = 0.0024752
k( 165) = ( 0.0678625 0.1135386 0.4893363), wk = 0.0024752
k( 166) = ( 0.0603223 0.1009232 0.4893363), wk = 0.0024752
k( 167) = ( 0.0527820 0.0883078 0.4893363), wk = 0.0024752
k( 168) = ( 0.0452417 0.0756924 0.4893363), wk = 0.0024752
k( 169) = ( 0.0377014 0.0630770 0.4893363), wk = 0.0024752
k( 170) = ( 0.0301611 0.0504616 0.4893363), wk = 0.0024752
k( 171) = ( 0.0226208 0.0378462 0.4893363), wk = 0.0024752
k( 172) = ( 0.0150806 0.0252308 0.4893363), wk = 0.0024752
k( 173) = ( 0.0075403 0.0126154 0.4893363), wk = 0.0024752
k( 174) = ( 0.0000000 0.0000000 0.4893363), wk = 0.0024752
k( 175) = ( 0.0000000 0.0000000 0.4893363), wk = 0.0024752
k( 176) = ( 0.0000000 0.0000000 0.4745079), wk = 0.0024752
k( 177) = ( 0.0000000 0.0000000 0.4596796), wk = 0.0024752
k( 178) = ( 0.0000000 0.0000000 0.4448512), wk = 0.0024752
k( 179) = ( 0.0000000 0.0000000 0.4300228), wk = 0.0024752
k( 180) = ( 0.0000000 0.0000000 0.4151945), wk = 0.0024752
k( 181) = ( 0.0000000 0.0000000 0.4003661), wk = 0.0024752
k( 182) = ( 0.0000000 0.0000000 0.3855377), wk = 0.0024752
k( 183) = ( 0.0000000 0.0000000 0.3707093), wk = 0.0024752
k( 184) = ( 0.0000000 0.0000000 0.3558810), wk = 0.0024752
k( 185) = ( 0.0000000 0.0000000 0.3410526), wk = 0.0024752
k( 186) = ( 0.0000000 0.0000000 0.3262242), wk = 0.0024752
k( 187) = ( 0.0000000 0.0000000 0.3113958), wk = 0.0024752
k( 188) = ( 0.0000000 0.0000000 0.2965675), wk = 0.0024752
k( 189) = ( 0.0000000 0.0000000 0.2817391), wk = 0.0024752
k( 190) = ( 0.0000000 0.0000000 0.2669107), wk = 0.0024752
k( 191) = ( 0.0000000 0.0000000 0.2520824), wk = 0.0024752
k( 192) = ( 0.0000000 0.0000000 0.2372540), wk = 0.0024752
k( 193) = ( 0.0000000 0.0000000 0.2224256), wk = 0.0024752
k( 194) = ( 0.0000000 0.0000000 0.2075972), wk = 0.0024752
k( 195) = ( 0.0000000 0.0000000 0.1927689), wk = 0.0024752
k( 196) = ( 0.0000000 0.0000000 0.1779405), wk = 0.0024752
k( 197) = ( 0.0000000 0.0000000 0.1631121), wk = 0.0024752
k( 198) = ( 0.0000000 0.0000000 0.1482837), wk = 0.0024752
k( 199) = ( 0.0000000 0.0000000 0.1334554), wk = 0.0024752
k( 200) = ( 0.0000000 0.0000000 0.1186270), wk = 0.0024752
k( 201) = ( 0.0000000 0.0000000 0.1037986), wk = 0.0024752
k( 202) = ( 0.0000000 0.0000000 0.0889702), wk = 0.0024752
k( 203) = ( 0.0000000 0.0000000 0.0741419), wk = 0.0024752
k( 204) = ( 0.0000000 0.0000000 0.0593135), wk = 0.0024752
k( 205) = ( 0.0000000 0.0000000 0.0444851), wk = 0.0024752
k( 206) = ( 0.0000000 0.0000000 0.0296567), wk = 0.0024752
k( 207) = ( 0.0000000 0.0000000 0.0148284), wk = 0.0024752
k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 210) = ( -0.0125000 0.0074713 0.0000000), wk = 0.0024752
k( 211) = ( -0.0250000 0.0149426 0.0000000), wk = 0.0024752
k( 212) = ( -0.0375000 0.0224139 0.0000000), wk = 0.0024752
k( 213) = ( -0.0500000 0.0298852 0.0000000), wk = 0.0024752
k( 214) = ( -0.0625000 0.0373565 0.0000000), wk = 0.0024752
k( 215) = ( -0.0750000 0.0448278 0.0000000), wk = 0.0024752
k( 216) = ( -0.0875000 0.0522991 0.0000000), wk = 0.0024752
k( 217) = ( -0.1000000 0.0597704 0.0000000), wk = 0.0024752
k( 218) = ( -0.1125000 0.0672417 0.0000000), wk = 0.0024752
k( 219) = ( -0.1250000 0.0747131 0.0000000), wk = 0.0024752
k( 220) = ( -0.1375000 0.0821844 0.0000000), wk = 0.0024752
k( 221) = ( -0.1500000 0.0896557 0.0000000), wk = 0.0024752
k( 222) = ( -0.1625000 0.0971270 0.0000000), wk = 0.0024752
k( 223) = ( -0.1750000 0.1045983 0.0000000), wk = 0.0024752
k( 224) = ( -0.1875000 0.1120696 0.0000000), wk = 0.0024752
k( 225) = ( -0.2000000 0.1195409 0.0000000), wk = 0.0024752
k( 226) = ( -0.2125000 0.1270122 0.0000000), wk = 0.0024752
k( 227) = ( -0.2250000 0.1344835 0.0000000), wk = 0.0024752
k( 228) = ( -0.2375000 0.1419548 0.0000000), wk = 0.0024752
k( 229) = ( -0.2500000 0.1494261 0.0000000), wk = 0.0024752
k( 230) = ( -0.2625000 0.1568974 0.0000000), wk = 0.0024752
k( 231) = ( -0.2750000 0.1643687 0.0000000), wk = 0.0024752
k( 232) = ( -0.2875000 0.1718400 0.0000000), wk = 0.0024752
k( 233) = ( -0.3000000 0.1793113 0.0000000), wk = 0.0024752
k( 234) = ( -0.3125000 0.1867826 0.0000000), wk = 0.0024752
k( 235) = ( -0.3250000 0.1942539 0.0000000), wk = 0.0024752
k( 236) = ( -0.3375000 0.2017252 0.0000000), wk = 0.0024752
k( 237) = ( -0.3500000 0.2091966 0.0000000), wk = 0.0024752
k( 238) = ( -0.3625000 0.2166679 0.0000000), wk = 0.0024752
k( 239) = ( -0.3750000 0.2241392 0.0000000), wk = 0.0024752
k( 240) = ( -0.3875000 0.2316105 0.0000000), wk = 0.0024752
k( 241) = ( -0.4000000 0.2390818 0.0000000), wk = 0.0024752
k( 242) = ( -0.4125000 0.2465531 0.0000000), wk = 0.0024752
k( 243) = ( -0.4250000 0.2540244 0.0000000), wk = 0.0024752
k( 244) = ( -0.4375000 0.2614957 0.0000000), wk = 0.0024752
k( 245) = ( -0.4500000 0.2689670 0.0000000), wk = 0.0024752
k( 246) = ( -0.4625000 0.2764383 0.0000000), wk = 0.0024752
k( 247) = ( -0.4750000 0.2839096 0.0000000), wk = 0.0024752
k( 248) = ( -0.4875000 0.2913809 0.0000000), wk = 0.0024752
k( 249) = ( -0.5000000 0.2988522 0.0000000), wk = 0.0024752
k( 250) = ( -0.5000000 0.2988522 0.0000000), wk = 0.0024752
k( 251) = ( -0.4926960 0.3110723 -0.0000000), wk = 0.0024752
k( 252) = ( -0.4853921 0.3232923 -0.0000000), wk = 0.0024752
k( 253) = ( -0.4780881 0.3355123 -0.0000000), wk = 0.0024752
k( 254) = ( -0.4707841 0.3477324 -0.0000000), wk = 0.0024752
k( 255) = ( -0.4634801 0.3599524 -0.0000000), wk = 0.0024752
k( 256) = ( -0.4561762 0.3721724 -0.0000000), wk = 0.0024752
k( 257) = ( -0.4488722 0.3843925 -0.0000000), wk = 0.0024752
k( 258) = ( -0.4415682 0.3966125 -0.0000000), wk = 0.0024752
k( 259) = ( -0.4342643 0.4088325 -0.0000000), wk = 0.0024752
k( 260) = ( -0.4269603 0.4210526 -0.0000000), wk = 0.0024752
k( 261) = ( -0.4196563 0.4332726 -0.0000000), wk = 0.0024752
k( 262) = ( -0.4123523 0.4454927 -0.0000000), wk = 0.0024752
k( 263) = ( -0.4050484 0.4577127 -0.0000000), wk = 0.0024752
k( 264) = ( -0.3977444 0.4699327 -0.0000000), wk = 0.0024752
k( 265) = ( -0.3904404 0.4821528 -0.0000000), wk = 0.0024752
k( 266) = ( -0.3831365 0.4943728 -0.0000000), wk = 0.0024752
k( 267) = ( -0.3758325 0.5065929 -0.0000000), wk = 0.0024752
k( 268) = ( -0.3685285 0.5188129 -0.0000000), wk = 0.0024752
k( 269) = ( -0.3612246 0.5310329 -0.0000000), wk = 0.0024752
k( 270) = ( -0.3539206 0.5432530 -0.0000000), wk = 0.0024752
k( 271) = ( -0.3466166 0.5554730 -0.0000000), wk = 0.0024752
k( 272) = ( -0.3393126 0.5676930 -0.0000000), wk = 0.0024752
k( 273) = ( -0.3393126 0.5676930 -0.0000000), wk = 0.0024752
k( 274) = ( -0.3393126 0.5676930 0.0148284), wk = 0.0024752
k( 275) = ( -0.3393126 0.5676930 0.0296567), wk = 0.0024752
k( 276) = ( -0.3393126 0.5676930 0.0444851), wk = 0.0024752
k( 277) = ( -0.3393126 0.5676930 0.0593135), wk = 0.0024752
k( 278) = ( -0.3393126 0.5676930 0.0741419), wk = 0.0024752
k( 279) = ( -0.3393126 0.5676930 0.0889702), wk = 0.0024752
k( 280) = ( -0.3393126 0.5676930 0.1037986), wk = 0.0024752
k( 281) = ( -0.3393126 0.5676930 0.1186270), wk = 0.0024752
k( 282) = ( -0.3393126 0.5676930 0.1334554), wk = 0.0024752
k( 283) = ( -0.3393126 0.5676930 0.1482837), wk = 0.0024752
k( 284) = ( -0.3393126 0.5676930 0.1631121), wk = 0.0024752
k( 285) = ( -0.3393126 0.5676930 0.1779405), wk = 0.0024752
k( 286) = ( -0.3393126 0.5676930 0.1927689), wk = 0.0024752
k( 287) = ( -0.3393126 0.5676930 0.2075972), wk = 0.0024752
k( 288) = ( -0.3393126 0.5676930 0.2224256), wk = 0.0024752
k( 289) = ( -0.3393126 0.5676930 0.2372540), wk = 0.0024752
k( 290) = ( -0.3393126 0.5676930 0.2520824), wk = 0.0024752
k( 291) = ( -0.3393126 0.5676930 0.2669107), wk = 0.0024752
k( 292) = ( -0.3393126 0.5676930 0.2817391), wk = 0.0024752
k( 293) = ( -0.3393126 0.5676930 0.2965675), wk = 0.0024752
k( 294) = ( -0.3393126 0.5676930 0.3113958), wk = 0.0024752
k( 295) = ( -0.3393126 0.5676930 0.3262242), wk = 0.0024752
k( 296) = ( -0.3393126 0.5676930 0.3410526), wk = 0.0024752
k( 297) = ( -0.3393126 0.5676930 0.3558810), wk = 0.0024752
k( 298) = ( -0.3393126 0.5676930 0.3707093), wk = 0.0024752
k( 299) = ( -0.3393126 0.5676930 0.3855377), wk = 0.0024752
k( 300) = ( -0.3393126 0.5676930 0.4003661), wk = 0.0024752
k( 301) = ( -0.3393126 0.5676930 0.4151945), wk = 0.0024752
k( 302) = ( -0.3393126 0.5676930 0.4300228), wk = 0.0024752
k( 303) = ( -0.3393126 0.5676930 0.4448512), wk = 0.0024752
k( 304) = ( -0.3393126 0.5676930 0.4596796), wk = 0.0024752
k( 305) = ( -0.3393126 0.5676930 0.4745079), wk = 0.0024752
k( 306) = ( -0.3393126 0.5676930 0.4893363), wk = 0.0024752
k( 307) = ( -0.3393126 0.5676930 0.4893363), wk = 0.0024752
k( 308) = ( -0.3466166 0.5554730 0.4893363), wk = 0.0024752
k( 309) = ( -0.3539206 0.5432530 0.4893363), wk = 0.0024752
k( 310) = ( -0.3612246 0.5310329 0.4893363), wk = 0.0024752
k( 311) = ( -0.3685285 0.5188129 0.4893363), wk = 0.0024752
k( 312) = ( -0.3758325 0.5065929 0.4893363), wk = 0.0024752
k( 313) = ( -0.3831365 0.4943728 0.4893363), wk = 0.0024752
k( 314) = ( -0.3904404 0.4821528 0.4893363), wk = 0.0024752
k( 315) = ( -0.3977444 0.4699327 0.4893363), wk = 0.0024752
k( 316) = ( -0.4050484 0.4577127 0.4893363), wk = 0.0024752
k( 317) = ( -0.4123523 0.4454927 0.4893363), wk = 0.0024752
k( 318) = ( -0.4196563 0.4332726 0.4893363), wk = 0.0024752
k( 319) = ( -0.4269603 0.4210526 0.4893363), wk = 0.0024752
k( 320) = ( -0.4342643 0.4088325 0.4893363), wk = 0.0024752
k( 321) = ( -0.4415682 0.3966125 0.4893363), wk = 0.0024752
k( 322) = ( -0.4488722 0.3843925 0.4893363), wk = 0.0024752
k( 323) = ( -0.4561762 0.3721724 0.4893363), wk = 0.0024752
k( 324) = ( -0.4634801 0.3599524 0.4893363), wk = 0.0024752
k( 325) = ( -0.4707841 0.3477324 0.4893363), wk = 0.0024752
k( 326) = ( -0.4780881 0.3355123 0.4893363), wk = 0.0024752
k( 327) = ( -0.4853921 0.3232923 0.4893363), wk = 0.0024752
k( 328) = ( -0.4926960 0.3110723 0.4893363), wk = 0.0024752
k( 329) = ( -0.5000000 0.2988522 0.4893363), wk = 0.0024752
k( 330) = ( -0.5000000 0.2988522 0.4893363), wk = 0.0024752
k( 331) = ( -0.5000000 0.2988522 0.4745079), wk = 0.0024752
k( 332) = ( -0.5000000 0.2988522 0.4596796), wk = 0.0024752
k( 333) = ( -0.5000000 0.2988522 0.4448512), wk = 0.0024752
k( 334) = ( -0.5000000 0.2988522 0.4300228), wk = 0.0024752
k( 335) = ( -0.5000000 0.2988522 0.4151945), wk = 0.0024752
k( 336) = ( -0.5000000 0.2988522 0.4003661), wk = 0.0024752
k( 337) = ( -0.5000000 0.2988522 0.3855377), wk = 0.0024752
k( 338) = ( -0.5000000 0.2988522 0.3707093), wk = 0.0024752
k( 339) = ( -0.5000000 0.2988522 0.3558810), wk = 0.0024752
k( 340) = ( -0.5000000 0.2988522 0.3410526), wk = 0.0024752
k( 341) = ( -0.5000000 0.2988522 0.3262242), wk = 0.0024752
k( 342) = ( -0.5000000 0.2988522 0.3113958), wk = 0.0024752
k( 343) = ( -0.5000000 0.2988522 0.2965675), wk = 0.0024752
k( 344) = ( -0.5000000 0.2988522 0.2817391), wk = 0.0024752
k( 345) = ( -0.5000000 0.2988522 0.2669107), wk = 0.0024752
k( 346) = ( -0.5000000 0.2988522 0.2520824), wk = 0.0024752
k( 347) = ( -0.5000000 0.2988522 0.2372540), wk = 0.0024752
k( 348) = ( -0.5000000 0.2988522 0.2224256), wk = 0.0024752
k( 349) = ( -0.5000000 0.2988522 0.2075972), wk = 0.0024752
k( 350) = ( -0.5000000 0.2988522 0.1927689), wk = 0.0024752
k( 351) = ( -0.5000000 0.2988522 0.1779405), wk = 0.0024752
k( 352) = ( -0.5000000 0.2988522 0.1631121), wk = 0.0024752
k( 353) = ( -0.5000000 0.2988522 0.1482837), wk = 0.0024752
k( 354) = ( -0.5000000 0.2988522 0.1334554), wk = 0.0024752
k( 355) = ( -0.5000000 0.2988522 0.1186270), wk = 0.0024752
k( 356) = ( -0.5000000 0.2988522 0.1037986), wk = 0.0024752
k( 357) = ( -0.5000000 0.2988522 0.0889702), wk = 0.0024752
k( 358) = ( -0.5000000 0.2988522 0.0741419), wk = 0.0024752
k( 359) = ( -0.5000000 0.2988522 0.0593135), wk = 0.0024752
k( 360) = ( -0.5000000 0.2988522 0.0444851), wk = 0.0024752
k( 361) = ( -0.5000000 0.2988522 0.0296567), wk = 0.0024752
k( 362) = ( -0.5000000 0.2988522 0.0148284), wk = 0.0024752
k( 363) = ( -0.5000000 0.2988522 0.0000000), wk = 0.0024752
k( 364) = ( 0.0000000 0.0000000 0.4893363), wk = 0.0024752
k( 365) = ( -0.0125000 0.0074713 0.4893363), wk = 0.0024752
k( 366) = ( -0.0250000 0.0149426 0.4893363), wk = 0.0024752
k( 367) = ( -0.0375000 0.0224139 0.4893363), wk = 0.0024752
k( 368) = ( -0.0500000 0.0298852 0.4893363), wk = 0.0024752
k( 369) = ( -0.0625000 0.0373565 0.4893363), wk = 0.0024752
k( 370) = ( -0.0750000 0.0448278 0.4893363), wk = 0.0024752
k( 371) = ( -0.0875000 0.0522991 0.4893363), wk = 0.0024752
k( 372) = ( -0.1000000 0.0597704 0.4893363), wk = 0.0024752
k( 373) = ( -0.1125000 0.0672417 0.4893363), wk = 0.0024752
k( 374) = ( -0.1250000 0.0747131 0.4893363), wk = 0.0024752
k( 375) = ( -0.1375000 0.0821844 0.4893363), wk = 0.0024752
k( 376) = ( -0.1500000 0.0896557 0.4893363), wk = 0.0024752
k( 377) = ( -0.1625000 0.0971270 0.4893363), wk = 0.0024752
k( 378) = ( -0.1750000 0.1045983 0.4893363), wk = 0.0024752
k( 379) = ( -0.1875000 0.1120696 0.4893363), wk = 0.0024752
k( 380) = ( -0.2000000 0.1195409 0.4893363), wk = 0.0024752
k( 381) = ( -0.2125000 0.1270122 0.4893363), wk = 0.0024752
k( 382) = ( -0.2250000 0.1344835 0.4893363), wk = 0.0024752
k( 383) = ( -0.2375000 0.1419548 0.4893363), wk = 0.0024752
k( 384) = ( -0.2500000 0.1494261 0.4893363), wk = 0.0024752
k( 385) = ( -0.2625000 0.1568974 0.4893363), wk = 0.0024752
k( 386) = ( -0.2750000 0.1643687 0.4893363), wk = 0.0024752
k( 387) = ( -0.2875000 0.1718400 0.4893363), wk = 0.0024752
k( 388) = ( -0.3000000 0.1793113 0.4893363), wk = 0.0024752
k( 389) = ( -0.3125000 0.1867826 0.4893363), wk = 0.0024752
k( 390) = ( -0.3250000 0.1942539 0.4893363), wk = 0.0024752
k( 391) = ( -0.3375000 0.2017252 0.4893363), wk = 0.0024752
k( 392) = ( -0.3500000 0.2091966 0.4893363), wk = 0.0024752
k( 393) = ( -0.3625000 0.2166679 0.4893363), wk = 0.0024752
k( 394) = ( -0.3750000 0.2241392 0.4893363), wk = 0.0024752
k( 395) = ( -0.3875000 0.2316105 0.4893363), wk = 0.0024752
k( 396) = ( -0.4000000 0.2390818 0.4893363), wk = 0.0024752
k( 397) = ( -0.4125000 0.2465531 0.4893363), wk = 0.0024752
k( 398) = ( -0.4250000 0.2540244 0.4893363), wk = 0.0024752
k( 399) = ( -0.4375000 0.2614957 0.4893363), wk = 0.0024752
k( 400) = ( -0.4500000 0.2689670 0.4893363), wk = 0.0024752
k( 401) = ( -0.4625000 0.2764383 0.4893363), wk = 0.0024752
k( 402) = ( -0.4750000 0.2839096 0.4893363), wk = 0.0024752
k( 403) = ( -0.4875000 0.2913809 0.4893363), wk = 0.0024752
k( 404) = ( -0.5000000 0.2988522 0.4893363), wk = 0.0024752
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 2) = ( 0.0075403 0.0075403 -0.0000000), wk = 0.0024752
k( 3) = ( 0.0150806 0.0150806 -0.0000000), wk = 0.0024752
k( 4) = ( 0.0226208 0.0226208 -0.0000000), wk = 0.0024752
k( 5) = ( 0.0301611 0.0301611 -0.0000000), wk = 0.0024752
k( 6) = ( 0.0377014 0.0377014 0.0000000), wk = 0.0024752
k( 7) = ( 0.0452417 0.0452417 0.0000000), wk = 0.0024752
k( 8) = ( 0.0527820 0.0527820 -0.0000000), wk = 0.0024752
k( 9) = ( 0.0603223 0.0603222 -0.0000000), wk = 0.0024752
k( 10) = ( 0.0678625 0.0678625 0.0000000), wk = 0.0024752
k( 11) = ( 0.0754028 0.0754028 0.0000000), wk = 0.0024752
k( 12) = ( 0.0829431 0.0829431 0.0000000), wk = 0.0024752
k( 13) = ( 0.0904834 0.0904834 0.0000000), wk = 0.0024752
k( 14) = ( 0.0980237 0.0980237 -0.0000000), wk = 0.0024752
k( 15) = ( 0.1055639 0.1055639 -0.0000000), wk = 0.0024752
k( 16) = ( 0.1131042 0.1131042 -0.0000000), wk = 0.0024752
k( 17) = ( 0.1206445 0.1206445 -0.0000000), wk = 0.0024752
k( 18) = ( 0.1281848 0.1281848 -0.0000000), wk = 0.0024752
k( 19) = ( 0.1357251 0.1357251 0.0000000), wk = 0.0024752
k( 20) = ( 0.1432653 0.1432653 -0.0000000), wk = 0.0024752
k( 21) = ( 0.1508056 0.1508056 0.0000000), wk = 0.0024752
k( 22) = ( 0.1583459 0.1583459 0.0000000), wk = 0.0024752
k( 23) = ( 0.1658862 0.1658862 0.0000000), wk = 0.0024752
k( 24) = ( 0.1734265 0.1734265 -0.0000000), wk = 0.0024752
k( 25) = ( 0.1809668 0.1809668 -0.0000000), wk = 0.0024752
k( 26) = ( 0.1885070 0.1885070 -0.0000000), wk = 0.0024752
k( 27) = ( 0.1960473 0.1960473 0.0000000), wk = 0.0024752
k( 28) = ( 0.2035876 0.2035876 -0.0000000), wk = 0.0024752
k( 29) = ( 0.2111279 0.2111279 -0.0000000), wk = 0.0024752
k( 30) = ( 0.2186682 0.2186682 0.0000000), wk = 0.0024752
k( 31) = ( 0.2262084 0.2262084 -0.0000000), wk = 0.0024752
k( 32) = ( 0.2337487 0.2337487 -0.0000000), wk = 0.0024752
k( 33) = ( 0.2412890 0.2412890 -0.0000000), wk = 0.0024752
k( 34) = ( 0.2488293 0.2488293 0.0000000), wk = 0.0024752
k( 35) = ( 0.2563696 0.2563696 -0.0000000), wk = 0.0024752
k( 36) = ( 0.2639098 0.2639098 -0.0000000), wk = 0.0024752
k( 37) = ( 0.2714501 0.2714501 0.0000000), wk = 0.0024752
k( 38) = ( 0.2789904 0.2789904 0.0000000), wk = 0.0024752
k( 39) = ( 0.2865307 0.2865307 -0.0000000), wk = 0.0024752
k( 40) = ( 0.2940710 0.2940710 -0.0000000), wk = 0.0024752
k( 41) = ( 0.3016112 0.3016112 0.0000000), wk = 0.0024752
k( 42) = ( 0.3091515 0.3091515 -0.0000000), wk = 0.0024752
k( 43) = ( 0.3166918 0.3166918 -0.0000000), wk = 0.0024752
k( 44) = ( 0.3242321 0.3242321 0.0000000), wk = 0.0024752
k( 45) = ( 0.3317724 0.3317724 -0.0000000), wk = 0.0024752
k( 46) = ( 0.3393126 0.3393126 0.0000000), wk = 0.0024752
k( 47) = ( 0.3393126 0.3393126 0.0000000), wk = 0.0024752
k( 48) = ( 0.3245599 0.3462991 -0.0000000), wk = 0.0024752
k( 49) = ( 0.3098072 0.3532855 -0.0000000), wk = 0.0024752
k( 50) = ( 0.2950545 0.3602719 0.0000000), wk = 0.0024752
k( 51) = ( 0.2803018 0.3672583 -0.0000000), wk = 0.0024752
k( 52) = ( 0.2655490 0.3742447 -0.0000000), wk = 0.0024752
k( 53) = ( 0.2507963 0.3812311 -0.0000000), wk = 0.0024752
k( 54) = ( 0.2360436 0.3882175 -0.0000000), wk = 0.0024752
k( 55) = ( 0.2212909 0.3952039 -0.0000000), wk = 0.0024752
k( 56) = ( 0.2065381 0.4021903 -0.0000000), wk = 0.0024752
k( 57) = ( 0.1917854 0.4091767 0.0000000), wk = 0.0024752
k( 58) = ( 0.1770327 0.4161631 0.0000000), wk = 0.0024752
k( 59) = ( 0.1622800 0.4231495 0.0000000), wk = 0.0024752
k( 60) = ( 0.1475272 0.4301359 -0.0000000), wk = 0.0024752
k( 61) = ( 0.1327745 0.4371223 -0.0000000), wk = 0.0024752
k( 62) = ( 0.1180218 0.4441087 -0.0000000), wk = 0.0024752
k( 63) = ( 0.1032691 0.4510951 -0.0000000), wk = 0.0024752
k( 64) = ( 0.0885163 0.4580816 -0.0000000), wk = 0.0024752
k( 65) = ( 0.0737636 0.4650680 -0.0000000), wk = 0.0024752
k( 66) = ( 0.0590109 0.4720544 -0.0000000), wk = 0.0024752
k( 67) = ( 0.0442582 0.4790408 -0.0000000), wk = 0.0024752
k( 68) = ( 0.0295054 0.4860272 0.0000000), wk = 0.0024752
k( 69) = ( 0.0147527 0.4930136 0.0000000), wk = 0.0024752
k( 70) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752
k( 71) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024752
k( 72) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0024752
k( 73) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0024752
k( 74) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0024752
k( 75) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0024752
k( 76) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0024752
k( 77) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0024752
k( 78) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0024752
k( 79) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0024752
k( 80) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0024752
k( 81) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0024752
k( 82) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024752
k( 83) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0024752
k( 84) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0024752
k( 85) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0024752
k( 86) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0024752
k( 87) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0024752
k( 88) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0024752
k( 89) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0024752
k( 90) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0024752
k( 91) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0024752
k( 92) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0024752
k( 93) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024752
k( 94) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0024752
k( 95) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0024752
k( 96) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0024752
k( 97) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0024752
k( 98) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0024752
k( 99) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0024752
k( 100) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0024752
k( 101) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0024752
k( 102) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0024752
k( 103) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0024752
k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752
k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752
k( 106) = ( 0.0147527 0.4930136 0.5000000), wk = 0.0024752
k( 107) = ( 0.0295054 0.4860272 0.5000000), wk = 0.0024752
k( 108) = ( 0.0442582 0.4790408 0.5000000), wk = 0.0024752
k( 109) = ( 0.0590109 0.4720544 0.5000000), wk = 0.0024752
k( 110) = ( 0.0737636 0.4650680 0.5000000), wk = 0.0024752
k( 111) = ( 0.0885163 0.4580816 0.5000000), wk = 0.0024752
k( 112) = ( 0.1032691 0.4510951 0.5000000), wk = 0.0024752
k( 113) = ( 0.1180218 0.4441087 0.5000000), wk = 0.0024752
k( 114) = ( 0.1327745 0.4371223 0.5000000), wk = 0.0024752
k( 115) = ( 0.1475272 0.4301359 0.5000000), wk = 0.0024752
k( 116) = ( 0.1622800 0.4231495 0.5000000), wk = 0.0024752
k( 117) = ( 0.1770327 0.4161631 0.5000000), wk = 0.0024752
k( 118) = ( 0.1917854 0.4091767 0.5000000), wk = 0.0024752
k( 119) = ( 0.2065381 0.4021903 0.5000000), wk = 0.0024752
k( 120) = ( 0.2212909 0.3952039 0.5000000), wk = 0.0024752
k( 121) = ( 0.2360436 0.3882175 0.5000000), wk = 0.0024752
k( 122) = ( 0.2507963 0.3812311 0.5000000), wk = 0.0024752
k( 123) = ( 0.2655490 0.3742447 0.5000000), wk = 0.0024752
k( 124) = ( 0.2803018 0.3672583 0.5000000), wk = 0.0024752
k( 125) = ( 0.2950545 0.3602719 0.5000000), wk = 0.0024752
k( 126) = ( 0.3098072 0.3532855 0.5000000), wk = 0.0024752
k( 127) = ( 0.3245599 0.3462991 0.5000000), wk = 0.0024752
k( 128) = ( 0.3393126 0.3393126 0.5000000), wk = 0.0024752
k( 129) = ( 0.3393126 0.3393126 0.5000000), wk = 0.0024752
k( 130) = ( 0.3317724 0.3317724 0.5000000), wk = 0.0024752
k( 131) = ( 0.3242321 0.3242321 0.5000000), wk = 0.0024752
k( 132) = ( 0.3166918 0.3166918 0.5000000), wk = 0.0024752
k( 133) = ( 0.3091515 0.3091515 0.5000000), wk = 0.0024752
k( 134) = ( 0.3016112 0.3016112 0.5000000), wk = 0.0024752
k( 135) = ( 0.2940710 0.2940710 0.5000000), wk = 0.0024752
k( 136) = ( 0.2865307 0.2865307 0.5000000), wk = 0.0024752
k( 137) = ( 0.2789904 0.2789904 0.5000000), wk = 0.0024752
k( 138) = ( 0.2714501 0.2714501 0.5000000), wk = 0.0024752
k( 139) = ( 0.2639098 0.2639098 0.5000000), wk = 0.0024752
k( 140) = ( 0.2563696 0.2563696 0.5000000), wk = 0.0024752
k( 141) = ( 0.2488293 0.2488293 0.5000000), wk = 0.0024752
k( 142) = ( 0.2412890 0.2412890 0.5000000), wk = 0.0024752
k( 143) = ( 0.2337487 0.2337487 0.5000000), wk = 0.0024752
k( 144) = ( 0.2262084 0.2262084 0.5000000), wk = 0.0024752
k( 145) = ( 0.2186682 0.2186682 0.5000000), wk = 0.0024752
k( 146) = ( 0.2111279 0.2111279 0.5000000), wk = 0.0024752
k( 147) = ( 0.2035876 0.2035876 0.5000000), wk = 0.0024752
k( 148) = ( 0.1960473 0.1960473 0.5000000), wk = 0.0024752
k( 149) = ( 0.1885070 0.1885070 0.5000000), wk = 0.0024752
k( 150) = ( 0.1809668 0.1809668 0.5000000), wk = 0.0024752
k( 151) = ( 0.1734265 0.1734265 0.5000000), wk = 0.0024752
k( 152) = ( 0.1658862 0.1658862 0.5000000), wk = 0.0024752
k( 153) = ( 0.1583459 0.1583459 0.5000000), wk = 0.0024752
k( 154) = ( 0.1508056 0.1508056 0.5000000), wk = 0.0024752
k( 155) = ( 0.1432653 0.1432653 0.5000000), wk = 0.0024752
k( 156) = ( 0.1357251 0.1357251 0.5000000), wk = 0.0024752
k( 157) = ( 0.1281848 0.1281848 0.5000000), wk = 0.0024752
k( 158) = ( 0.1206445 0.1206445 0.5000000), wk = 0.0024752
k( 159) = ( 0.1131042 0.1131042 0.5000000), wk = 0.0024752
k( 160) = ( 0.1055639 0.1055639 0.5000000), wk = 0.0024752
k( 161) = ( 0.0980237 0.0980237 0.5000000), wk = 0.0024752
k( 162) = ( 0.0904834 0.0904834 0.5000000), wk = 0.0024752
k( 163) = ( 0.0829431 0.0829431 0.5000000), wk = 0.0024752
k( 164) = ( 0.0754028 0.0754028 0.5000000), wk = 0.0024752
k( 165) = ( 0.0678625 0.0678625 0.5000000), wk = 0.0024752
k( 166) = ( 0.0603223 0.0603222 0.5000000), wk = 0.0024752
k( 167) = ( 0.0527820 0.0527820 0.5000000), wk = 0.0024752
k( 168) = ( 0.0452417 0.0452417 0.5000000), wk = 0.0024752
k( 169) = ( 0.0377014 0.0377014 0.5000000), wk = 0.0024752
k( 170) = ( 0.0301611 0.0301611 0.5000000), wk = 0.0024752
k( 171) = ( 0.0226208 0.0226208 0.5000000), wk = 0.0024752
k( 172) = ( 0.0150806 0.0150806 0.5000000), wk = 0.0024752
k( 173) = ( 0.0075403 0.0075403 0.5000000), wk = 0.0024752
k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752
k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752
k( 176) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0024752
k( 177) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0024752
k( 178) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0024752
k( 179) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0024752
k( 180) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0024752
k( 181) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0024752
k( 182) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0024752
k( 183) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0024752
k( 184) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0024752
k( 185) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0024752
k( 186) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024752
k( 187) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0024752
k( 188) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0024752
k( 189) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0024752
k( 190) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0024752
k( 191) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0024752
k( 192) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0024752
k( 193) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0024752
k( 194) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0024752
k( 195) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0024752
k( 196) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0024752
k( 197) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024752
k( 198) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0024752
k( 199) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0024752
k( 200) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0024752
k( 201) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0024752
k( 202) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0024752
k( 203) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0024752
k( 204) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0024752
k( 205) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0024752
k( 206) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0024752
k( 207) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0024752
k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752
k( 210) = ( -0.0125000 0.0125000 -0.0000000), wk = 0.0024752
k( 211) = ( -0.0250000 0.0250000 -0.0000000), wk = 0.0024752
k( 212) = ( -0.0375000 0.0375000 -0.0000000), wk = 0.0024752
k( 213) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0024752
k( 214) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0024752
k( 215) = ( -0.0750000 0.0750000 -0.0000000), wk = 0.0024752
k( 216) = ( -0.0875000 0.0875000 0.0000000), wk = 0.0024752
k( 217) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0024752
k( 218) = ( -0.1125000 0.1125000 -0.0000000), wk = 0.0024752
k( 219) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0024752
k( 220) = ( -0.1375000 0.1375000 0.0000000), wk = 0.0024752
k( 221) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0024752
k( 222) = ( -0.1625000 0.1625000 -0.0000000), wk = 0.0024752
k( 223) = ( -0.1750000 0.1750000 0.0000000), wk = 0.0024752
k( 224) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0024752
k( 225) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0024752
k( 226) = ( -0.2125000 0.2125000 -0.0000000), wk = 0.0024752
k( 227) = ( -0.2250000 0.2250000 -0.0000000), wk = 0.0024752
k( 228) = ( -0.2375000 0.2375000 0.0000000), wk = 0.0024752
k( 229) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0024752
k( 230) = ( -0.2625000 0.2625000 -0.0000000), wk = 0.0024752
k( 231) = ( -0.2750000 0.2750000 0.0000000), wk = 0.0024752
k( 232) = ( -0.2875000 0.2875000 0.0000000), wk = 0.0024752
k( 233) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0024752
k( 234) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0024752
k( 235) = ( -0.3250000 0.3250000 -0.0000000), wk = 0.0024752
k( 236) = ( -0.3375000 0.3375000 -0.0000000), wk = 0.0024752
k( 237) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0024752
k( 238) = ( -0.3625000 0.3625000 -0.0000000), wk = 0.0024752
k( 239) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0024752
k( 240) = ( -0.3875000 0.3875000 -0.0000000), wk = 0.0024752
k( 241) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0024752
k( 242) = ( -0.4125000 0.4125000 0.0000000), wk = 0.0024752
k( 243) = ( -0.4250000 0.4250000 -0.0000000), wk = 0.0024752
k( 244) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0024752
k( 245) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0024752
k( 246) = ( -0.4625000 0.4625000 0.0000000), wk = 0.0024752
k( 247) = ( -0.4750000 0.4750000 0.0000000), wk = 0.0024752
k( 248) = ( -0.4875000 0.4875000 -0.0000000), wk = 0.0024752
k( 249) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024752
k( 250) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024752
k( 251) = ( -0.4926960 0.5073040 0.0000000), wk = 0.0024752
k( 252) = ( -0.4853921 0.5146079 -0.0000000), wk = 0.0024752
k( 253) = ( -0.4780881 0.5219119 0.0000000), wk = 0.0024752
k( 254) = ( -0.4707841 0.5292159 0.0000000), wk = 0.0024752
k( 255) = ( -0.4634801 0.5365199 -0.0000000), wk = 0.0024752
k( 256) = ( -0.4561762 0.5438238 -0.0000000), wk = 0.0024752
k( 257) = ( -0.4488722 0.5511278 0.0000000), wk = 0.0024752
k( 258) = ( -0.4415682 0.5584318 -0.0000000), wk = 0.0024752
k( 259) = ( -0.4342643 0.5657357 -0.0000000), wk = 0.0024752
k( 260) = ( -0.4269603 0.5730397 -0.0000000), wk = 0.0024752
k( 261) = ( -0.4196563 0.5803437 -0.0000000), wk = 0.0024752
k( 262) = ( -0.4123523 0.5876477 0.0000000), wk = 0.0024752
k( 263) = ( -0.4050484 0.5949516 0.0000000), wk = 0.0024752
k( 264) = ( -0.3977444 0.6022556 -0.0000000), wk = 0.0024752
k( 265) = ( -0.3904404 0.6095596 -0.0000000), wk = 0.0024752
k( 266) = ( -0.3831365 0.6168635 0.0000000), wk = 0.0024752
k( 267) = ( -0.3758325 0.6241675 -0.0000000), wk = 0.0024752
k( 268) = ( -0.3685285 0.6314715 -0.0000000), wk = 0.0024752
k( 269) = ( -0.3612246 0.6387754 -0.0000000), wk = 0.0024752
k( 270) = ( -0.3539206 0.6460794 0.0000000), wk = 0.0024752
k( 271) = ( -0.3466166 0.6533834 -0.0000000), wk = 0.0024752
k( 272) = ( -0.3393126 0.6606874 -0.0000000), wk = 0.0024752
k( 273) = ( -0.3393126 0.6606874 -0.0000000), wk = 0.0024752
k( 274) = ( -0.3393126 0.6606874 0.0151515), wk = 0.0024752
k( 275) = ( -0.3393126 0.6606874 0.0303030), wk = 0.0024752
k( 276) = ( -0.3393126 0.6606874 0.0454546), wk = 0.0024752
k( 277) = ( -0.3393126 0.6606874 0.0606061), wk = 0.0024752
k( 278) = ( -0.3393126 0.6606874 0.0757576), wk = 0.0024752
k( 279) = ( -0.3393126 0.6606874 0.0909091), wk = 0.0024752
k( 280) = ( -0.3393126 0.6606874 0.1060606), wk = 0.0024752
k( 281) = ( -0.3393126 0.6606874 0.1212121), wk = 0.0024752
k( 282) = ( -0.3393126 0.6606874 0.1363636), wk = 0.0024752
k( 283) = ( -0.3393126 0.6606874 0.1515151), wk = 0.0024752
k( 284) = ( -0.3393126 0.6606874 0.1666667), wk = 0.0024752
k( 285) = ( -0.3393126 0.6606874 0.1818182), wk = 0.0024752
k( 286) = ( -0.3393126 0.6606874 0.1969697), wk = 0.0024752
k( 287) = ( -0.3393126 0.6606874 0.2121212), wk = 0.0024752
k( 288) = ( -0.3393126 0.6606874 0.2272727), wk = 0.0024752
k( 289) = ( -0.3393126 0.6606874 0.2424242), wk = 0.0024752
k( 290) = ( -0.3393126 0.6606874 0.2575758), wk = 0.0024752
k( 291) = ( -0.3393126 0.6606874 0.2727273), wk = 0.0024752
k( 292) = ( -0.3393126 0.6606874 0.2878788), wk = 0.0024752
k( 293) = ( -0.3393126 0.6606874 0.3030303), wk = 0.0024752
k( 294) = ( -0.3393126 0.6606874 0.3181818), wk = 0.0024752
k( 295) = ( -0.3393126 0.6606874 0.3333333), wk = 0.0024752
k( 296) = ( -0.3393126 0.6606874 0.3484849), wk = 0.0024752
k( 297) = ( -0.3393126 0.6606874 0.3636364), wk = 0.0024752
k( 298) = ( -0.3393126 0.6606874 0.3787879), wk = 0.0024752
k( 299) = ( -0.3393126 0.6606874 0.3939394), wk = 0.0024752
k( 300) = ( -0.3393126 0.6606874 0.4090909), wk = 0.0024752
k( 301) = ( -0.3393126 0.6606874 0.4242424), wk = 0.0024752
k( 302) = ( -0.3393126 0.6606874 0.4393939), wk = 0.0024752
k( 303) = ( -0.3393126 0.6606874 0.4545455), wk = 0.0024752
k( 304) = ( -0.3393126 0.6606874 0.4696970), wk = 0.0024752
k( 305) = ( -0.3393126 0.6606874 0.4848485), wk = 0.0024752
k( 306) = ( -0.3393126 0.6606874 0.5000000), wk = 0.0024752
k( 307) = ( -0.3393126 0.6606874 0.5000000), wk = 0.0024752
k( 308) = ( -0.3466166 0.6533834 0.5000000), wk = 0.0024752
k( 309) = ( -0.3539206 0.6460794 0.5000000), wk = 0.0024752
k( 310) = ( -0.3612246 0.6387754 0.5000000), wk = 0.0024752
k( 311) = ( -0.3685285 0.6314715 0.5000000), wk = 0.0024752
k( 312) = ( -0.3758325 0.6241675 0.5000000), wk = 0.0024752
k( 313) = ( -0.3831365 0.6168635 0.5000000), wk = 0.0024752
k( 314) = ( -0.3904404 0.6095596 0.5000000), wk = 0.0024752
k( 315) = ( -0.3977444 0.6022556 0.5000000), wk = 0.0024752
k( 316) = ( -0.4050484 0.5949516 0.5000000), wk = 0.0024752
k( 317) = ( -0.4123523 0.5876477 0.5000000), wk = 0.0024752
k( 318) = ( -0.4196563 0.5803437 0.5000000), wk = 0.0024752
k( 319) = ( -0.4269603 0.5730397 0.5000000), wk = 0.0024752
k( 320) = ( -0.4342643 0.5657357 0.5000000), wk = 0.0024752
k( 321) = ( -0.4415682 0.5584318 0.5000000), wk = 0.0024752
k( 322) = ( -0.4488722 0.5511278 0.5000000), wk = 0.0024752
k( 323) = ( -0.4561762 0.5438238 0.5000000), wk = 0.0024752
k( 324) = ( -0.4634801 0.5365199 0.5000000), wk = 0.0024752
k( 325) = ( -0.4707841 0.5292159 0.5000000), wk = 0.0024752
k( 326) = ( -0.4780881 0.5219119 0.5000000), wk = 0.0024752
k( 327) = ( -0.4853921 0.5146079 0.5000000), wk = 0.0024752
k( 328) = ( -0.4926960 0.5073040 0.5000000), wk = 0.0024752
k( 329) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752
k( 330) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752
k( 331) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0024752
k( 332) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0024752
k( 333) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0024752
k( 334) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0024752
k( 335) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0024752
k( 336) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0024752
k( 337) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0024752
k( 338) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0024752
k( 339) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0024752
k( 340) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0024752
k( 341) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024752
k( 342) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0024752
k( 343) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0024752
k( 344) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0024752
k( 345) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0024752
k( 346) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0024752
k( 347) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0024752
k( 348) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0024752
k( 349) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0024752
k( 350) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0024752
k( 351) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0024752
k( 352) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024752
k( 353) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0024752
k( 354) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0024752
k( 355) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0024752
k( 356) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0024752
k( 357) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0024752
k( 358) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0024752
k( 359) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0024752
k( 360) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0024752
k( 361) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0024752
k( 362) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0024752
k( 363) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024752
k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752
k( 365) = ( -0.0125000 0.0125000 0.5000000), wk = 0.0024752
k( 366) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0024752
k( 367) = ( -0.0375000 0.0375000 0.5000000), wk = 0.0024752
k( 368) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0024752
k( 369) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0024752
k( 370) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0024752
k( 371) = ( -0.0875000 0.0875000 0.5000000), wk = 0.0024752
k( 372) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024752
k( 373) = ( -0.1125000 0.1125000 0.5000000), wk = 0.0024752
k( 374) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024752
k( 375) = ( -0.1375000 0.1375000 0.5000000), wk = 0.0024752
k( 376) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0024752
k( 377) = ( -0.1625000 0.1625000 0.5000000), wk = 0.0024752
k( 378) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0024752
k( 379) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0024752
k( 380) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024752
k( 381) = ( -0.2125000 0.2125000 0.5000000), wk = 0.0024752
k( 382) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0024752
k( 383) = ( -0.2375000 0.2375000 0.5000000), wk = 0.0024752
k( 384) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024752
k( 385) = ( -0.2625000 0.2625000 0.5000000), wk = 0.0024752
k( 386) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0024752
k( 387) = ( -0.2875000 0.2875000 0.5000000), wk = 0.0024752
k( 388) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024752
k( 389) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0024752
k( 390) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0024752
k( 391) = ( -0.3375000 0.3375000 0.5000000), wk = 0.0024752
k( 392) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0024752
k( 393) = ( -0.3625000 0.3625000 0.5000000), wk = 0.0024752
k( 394) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024752
k( 395) = ( -0.3875000 0.3875000 0.5000000), wk = 0.0024752
k( 396) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024752
k( 397) = ( -0.4125000 0.4125000 0.5000000), wk = 0.0024752
k( 398) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0024752
k( 399) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0024752
k( 400) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0024752
k( 401) = ( -0.4625000 0.4625000 0.5000000), wk = 0.0024752
k( 402) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0024752
k( 403) = ( -0.4875000 0.4875000 0.5000000), wk = 0.0024752
k( 404) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752
Dense grid: 24437 G-vectors FFT dimensions: ( 40, 40, 40)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.12 Mb ( 192, 40)
NL pseudopotentials 0.40 Mb ( 96, 272)
Each V/rho on FFT grid 0.05 Mb ( 3200)
Each G-vector array 0.01 Mb ( 681)
G-vector shells 0.00 Mb ( 354)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.47 Mb ( 192, 160)
Each subspace H/S matrix 0.02 Mb ( 40, 40)
Each <psi_i|beta_j> matrix 0.33 Mb ( 272, 2, 40)
The potential is recalculated from file :
./Si.save/charge-density.dat
Starting wfc are 64 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.5 secs
Computing kpt #: 2
total cpu time spent up to now is 1.8 secs
Computing kpt #: 3
total cpu time spent up to now is 2.1 secs
Computing kpt #: 4
total cpu time spent up to now is 2.4 secs
Computing kpt #: 5
total cpu time spent up to now is 2.7 secs
Computing kpt #: 6
total cpu time spent up to now is 3.0 secs
Computing kpt #: 7
total cpu time spent up to now is 3.3 secs
Computing kpt #: 8
total cpu time spent up to now is 3.6 secs
Computing kpt #: 9
total cpu time spent up to now is 3.9 secs
Computing kpt #: 10
total cpu time spent up to now is 4.2 secs
Computing kpt #: 11
total cpu time spent up to now is 4.5 secs
Computing kpt #: 12
total cpu time spent up to now is 4.8 secs
Computing kpt #: 13
total cpu time spent up to now is 5.1 secs
Computing kpt #: 14
total cpu time spent up to now is 5.4 secs
Computing kpt #: 15
total cpu time spent up to now is 5.7 secs
Computing kpt #: 16
total cpu time spent up to now is 6.1 secs
Computing kpt #: 17
total cpu time spent up to now is 6.4 secs
Computing kpt #: 18
total cpu time spent up to now is 6.7 secs
Computing kpt #: 19
total cpu time spent up to now is 7.0 secs
Computing kpt #: 20
total cpu time spent up to now is 7.3 secs
Computing kpt #: 21
total cpu time spent up to now is 7.7 secs
Computing kpt #: 22
total cpu time spent up to now is 8.1 secs
Computing kpt #: 23
total cpu time spent up to now is 8.5 secs
Computing kpt #: 24
total cpu time spent up to now is 8.8 secs
Computing kpt #: 25
total cpu time spent up to now is 9.2 secs
Computing kpt #: 26
total cpu time spent up to now is 9.7 secs
Computing kpt #: 27
total cpu time spent up to now is 10.1 secs
Computing kpt #: 28
total cpu time spent up to now is 10.5 secs
Computing kpt #: 29
total cpu time spent up to now is 11.0 secs
Computing kpt #: 30
total cpu time spent up to now is 11.4 secs
Computing kpt #: 31
total cpu time spent up to now is 11.9 secs
Computing kpt #: 32
total cpu time spent up to now is 12.6 secs
Computing kpt #: 33
total cpu time spent up to now is 13.0 secs
Computing kpt #: 34
total cpu time spent up to now is 14.0 secs
Computing kpt #: 35
total cpu time spent up to now is 14.5 secs
Computing kpt #: 36
total cpu time spent up to now is 14.9 secs
Computing kpt #: 37
total cpu time spent up to now is 15.3 secs
Computing kpt #: 38
total cpu time spent up to now is 15.7 secs
Computing kpt #: 39
total cpu time spent up to now is 16.0 secs
Computing kpt #: 40
total cpu time spent up to now is 16.4 secs
Computing kpt #: 41
total cpu time spent up to now is 16.7 secs
Computing kpt #: 42
total cpu time spent up to now is 17.1 secs
Computing kpt #: 43
total cpu time spent up to now is 17.4 secs
Computing kpt #: 44
total cpu time spent up to now is 17.8 secs
Computing kpt #: 45
total cpu time spent up to now is 18.2 secs
Computing kpt #: 46
total cpu time spent up to now is 18.7 secs
Computing kpt #: 47
total cpu time spent up to now is 19.2 secs
Computing kpt #: 48
total cpu time spent up to now is 19.8 secs
Computing kpt #: 49
total cpu time spent up to now is 20.4 secs
Computing kpt #: 50
total cpu time spent up to now is 20.9 secs
Computing kpt #: 51
total cpu time spent up to now is 21.4 secs
Computing kpt #: 52
total cpu time spent up to now is 21.9 secs
Computing kpt #: 53
total cpu time spent up to now is 22.4 secs
Computing kpt #: 54
total cpu time spent up to now is 22.9 secs
Computing kpt #: 55
total cpu time spent up to now is 23.4 secs
Computing kpt #: 56
total cpu time spent up to now is 23.9 secs
Computing kpt #: 57
total cpu time spent up to now is 24.3 secs
Computing kpt #: 58
total cpu time spent up to now is 24.7 secs
Computing kpt #: 59
total cpu time spent up to now is 25.1 secs
Computing kpt #: 60
total cpu time spent up to now is 25.5 secs
Computing kpt #: 61
total cpu time spent up to now is 26.0 secs
Computing kpt #: 62
total cpu time spent up to now is 26.4 secs
Computing kpt #: 63
total cpu time spent up to now is 26.8 secs
Computing kpt #: 64
total cpu time spent up to now is 27.1 secs
Computing kpt #: 65
total cpu time spent up to now is 27.5 secs
Computing kpt #: 66
total cpu time spent up to now is 27.9 secs
Computing kpt #: 67
total cpu time spent up to now is 28.2 secs
Computing kpt #: 68
total cpu time spent up to now is 28.6 secs
Computing kpt #: 69
total cpu time spent up to now is 29.0 secs
Computing kpt #: 70
total cpu time spent up to now is 29.4 secs
Computing kpt #: 71
total cpu time spent up to now is 29.8 secs
Computing kpt #: 72
total cpu time spent up to now is 30.3 secs
Computing kpt #: 73
total cpu time spent up to now is 30.7 secs
Computing kpt #: 74
total cpu time spent up to now is 31.1 secs
Computing kpt #: 75
total cpu time spent up to now is 31.4 secs
Computing kpt #: 76
total cpu time spent up to now is 31.8 secs
Computing kpt #: 77
total cpu time spent up to now is 32.2 secs
Computing kpt #: 78
total cpu time spent up to now is 32.6 secs
Computing kpt #: 79
total cpu time spent up to now is 33.0 secs
Computing kpt #: 80
total cpu time spent up to now is 33.3 secs
Computing kpt #: 81
total cpu time spent up to now is 33.7 secs
Computing kpt #: 82
total cpu time spent up to now is 34.1 secs
Computing kpt #: 83
total cpu time spent up to now is 34.6 secs
Computing kpt #: 84
total cpu time spent up to now is 34.9 secs
Computing kpt #: 85
total cpu time spent up to now is 35.3 secs
Computing kpt #: 86
total cpu time spent up to now is 35.8 secs
Computing kpt #: 87
total cpu time spent up to now is 36.1 secs
Computing kpt #: 88
total cpu time spent up to now is 36.5 secs
Computing kpt #: 89
total cpu time spent up to now is 36.9 secs
Computing kpt #: 90
total cpu time spent up to now is 37.3 secs
Computing kpt #: 91
total cpu time spent up to now is 37.8 secs
Computing kpt #: 92
total cpu time spent up to now is 38.2 secs
Computing kpt #: 93
total cpu time spent up to now is 38.6 secs
Computing kpt #: 94
total cpu time spent up to now is 39.0 secs
Computing kpt #: 95
total cpu time spent up to now is 39.4 secs
Computing kpt #: 96
total cpu time spent up to now is 39.9 secs
Computing kpt #: 97
total cpu time spent up to now is 40.4 secs
Computing kpt #: 98
total cpu time spent up to now is 40.8 secs
Computing kpt #: 99
total cpu time spent up to now is 41.3 secs
Computing kpt #: 100
total cpu time spent up to now is 41.7 secs
Computing kpt #: 101
total cpu time spent up to now is 42.0 secs
Computing kpt #: 102
total cpu time spent up to now is 42.4 secs
Computing kpt #: 103
total cpu time spent up to now is 42.7 secs
Computing kpt #: 104
total cpu time spent up to now is 43.0 secs
Computing kpt #: 105
total cpu time spent up to now is 43.4 secs
Computing kpt #: 106
total cpu time spent up to now is 43.7 secs
Computing kpt #: 107
total cpu time spent up to now is 44.1 secs
Computing kpt #: 108
total cpu time spent up to now is 44.4 secs
Computing kpt #: 109
total cpu time spent up to now is 44.8 secs
Computing kpt #: 110
total cpu time spent up to now is 45.2 secs
Computing kpt #: 111
total cpu time spent up to now is 45.6 secs
Computing kpt #: 112
total cpu time spent up to now is 46.1 secs
Computing kpt #: 113
total cpu time spent up to now is 46.6 secs
Computing kpt #: 114
total cpu time spent up to now is 47.1 secs
Computing kpt #: 115
total cpu time spent up to now is 47.6 secs
Computing kpt #: 116
total cpu time spent up to now is 48.1 secs
Computing kpt #: 117
total cpu time spent up to now is 48.6 secs
Computing kpt #: 118
total cpu time spent up to now is 49.1 secs
Computing kpt #: 119
total cpu time spent up to now is 49.6 secs
Computing kpt #: 120
total cpu time spent up to now is 50.2 secs
Computing kpt #: 121
total cpu time spent up to now is 50.7 secs
Computing kpt #: 122
total cpu time spent up to now is 51.1 secs
Computing kpt #: 123
total cpu time spent up to now is 51.6 secs
Computing kpt #: 124
total cpu time spent up to now is 52.1 secs
Computing kpt #: 125
total cpu time spent up to now is 52.6 secs
Computing kpt #: 126
total cpu time spent up to now is 53.1 secs
Computing kpt #: 127
total cpu time spent up to now is 53.7 secs
Computing kpt #: 128
total cpu time spent up to now is 54.3 secs
Computing kpt #: 129
total cpu time spent up to now is 54.9 secs
Computing kpt #: 130
total cpu time spent up to now is 55.5 secs
Computing kpt #: 131
total cpu time spent up to now is 56.0 secs
Computing kpt #: 132
total cpu time spent up to now is 56.5 secs
Computing kpt #: 133
total cpu time spent up to now is 56.9 secs
Computing kpt #: 134
total cpu time spent up to now is 57.4 secs
Computing kpt #: 135
total cpu time spent up to now is 57.8 secs
Computing kpt #: 136
total cpu time spent up to now is 58.2 secs
Computing kpt #: 137
total cpu time spent up to now is 58.6 secs
Computing kpt #: 138
total cpu time spent up to now is 58.9 secs
Computing kpt #: 139
total cpu time spent up to now is 59.2 secs
Computing kpt #: 140
total cpu time spent up to now is 59.6 secs
Computing kpt #: 141
total cpu time spent up to now is 59.9 secs
Computing kpt #: 142
total cpu time spent up to now is 60.3 secs
Computing kpt #: 143
total cpu time spent up to now is 60.7 secs
Computing kpt #: 144
total cpu time spent up to now is 61.1 secs
Computing kpt #: 145
total cpu time spent up to now is 61.6 secs
Computing kpt #: 146
total cpu time spent up to now is 62.1 secs
Computing kpt #: 147
total cpu time spent up to now is 62.6 secs
Computing kpt #: 148
total cpu time spent up to now is 63.1 secs
Computing kpt #: 149
total cpu time spent up to now is 63.5 secs
Computing kpt #: 150
total cpu time spent up to now is 64.0 secs
Computing kpt #: 151
total cpu time spent up to now is 64.4 secs
Computing kpt #: 152
total cpu time spent up to now is 64.8 secs
Computing kpt #: 153
total cpu time spent up to now is 65.2 secs
Computing kpt #: 154
total cpu time spent up to now is 65.6 secs
Computing kpt #: 155
total cpu time spent up to now is 66.0 secs
Computing kpt #: 156
total cpu time spent up to now is 66.4 secs
Computing kpt #: 157
total cpu time spent up to now is 66.7 secs
Computing kpt #: 158
total cpu time spent up to now is 67.1 secs
Computing kpt #: 159
total cpu time spent up to now is 67.4 secs
Computing kpt #: 160
total cpu time spent up to now is 67.8 secs
Computing kpt #: 161
total cpu time spent up to now is 68.1 secs
Computing kpt #: 162
total cpu time spent up to now is 68.5 secs
Computing kpt #: 163
total cpu time spent up to now is 68.8 secs
Computing kpt #: 164
total cpu time spent up to now is 69.2 secs
Computing kpt #: 165
total cpu time spent up to now is 69.5 secs
Computing kpt #: 166
total cpu time spent up to now is 69.9 secs
Computing kpt #: 167
total cpu time spent up to now is 70.3 secs
Computing kpt #: 168
total cpu time spent up to now is 70.6 secs
Computing kpt #: 169
total cpu time spent up to now is 71.0 secs
Computing kpt #: 170
total cpu time spent up to now is 71.3 secs
Computing kpt #: 171
total cpu time spent up to now is 71.8 secs
Computing kpt #: 172
total cpu time spent up to now is 72.2 secs
Computing kpt #: 173
total cpu time spent up to now is 72.6 secs
Computing kpt #: 174
total cpu time spent up to now is 73.1 secs
Computing kpt #: 175
total cpu time spent up to now is 73.5 secs
Computing kpt #: 176
total cpu time spent up to now is 73.9 secs
Computing kpt #: 177
total cpu time spent up to now is 74.4 secs
Computing kpt #: 178
total cpu time spent up to now is 74.9 secs
Computing kpt #: 179
total cpu time spent up to now is 75.3 secs
Computing kpt #: 180
total cpu time spent up to now is 75.8 secs
Computing kpt #: 181
total cpu time spent up to now is 76.2 secs
Computing kpt #: 182
total cpu time spent up to now is 76.6 secs
Computing kpt #: 183
total cpu time spent up to now is 77.0 secs
Computing kpt #: 184
total cpu time spent up to now is 77.4 secs
Computing kpt #: 185
total cpu time spent up to now is 77.8 secs
Computing kpt #: 186
total cpu time spent up to now is 78.2 secs
Computing kpt #: 187
total cpu time spent up to now is 78.5 secs
Computing kpt #: 188
total cpu time spent up to now is 78.9 secs
Computing kpt #: 189
total cpu time spent up to now is 79.2 secs
Computing kpt #: 190
total cpu time spent up to now is 79.6 secs
Computing kpt #: 191
total cpu time spent up to now is 80.0 secs
Computing kpt #: 192
total cpu time spent up to now is 80.3 secs
Computing kpt #: 193
total cpu time spent up to now is 80.6 secs
Computing kpt #: 194
total cpu time spent up to now is 80.9 secs
Computing kpt #: 195
total cpu time spent up to now is 81.3 secs
Computing kpt #: 196
total cpu time spent up to now is 81.6 secs
Computing kpt #: 197
total cpu time spent up to now is 82.0 secs
Computing kpt #: 198
total cpu time spent up to now is 82.5 secs
Computing kpt #: 199
total cpu time spent up to now is 82.9 secs
Computing kpt #: 200
total cpu time spent up to now is 83.4 secs
Computing kpt #: 201
total cpu time spent up to now is 83.7 secs
Computing kpt #: 202
total cpu time spent up to now is 84.0 secs
Computing kpt #: 203
total cpu time spent up to now is 84.3 secs
Computing kpt #: 204
total cpu time spent up to now is 84.6 secs
Computing kpt #: 205
total cpu time spent up to now is 84.9 secs
Computing kpt #: 206
total cpu time spent up to now is 85.2 secs
Computing kpt #: 207
total cpu time spent up to now is 85.5 secs
Computing kpt #: 208
total cpu time spent up to now is 85.8 secs
Computing kpt #: 209
total cpu time spent up to now is 86.1 secs
Computing kpt #: 210
total cpu time spent up to now is 86.4 secs
Computing kpt #: 211
total cpu time spent up to now is 86.7 secs
Computing kpt #: 212
total cpu time spent up to now is 87.1 secs
Computing kpt #: 213
total cpu time spent up to now is 87.4 secs
Computing kpt #: 214
total cpu time spent up to now is 87.8 secs
Computing kpt #: 215
total cpu time spent up to now is 88.1 secs
Computing kpt #: 216
total cpu time spent up to now is 88.5 secs
Computing kpt #: 217
total cpu time spent up to now is 88.8 secs
Computing kpt #: 218
total cpu time spent up to now is 89.2 secs
Computing kpt #: 219
total cpu time spent up to now is 89.5 secs
Computing kpt #: 220
total cpu time spent up to now is 89.9 secs
Computing kpt #: 221
total cpu time spent up to now is 90.3 secs
Computing kpt #: 222
total cpu time spent up to now is 90.6 secs
Computing kpt #: 223
total cpu time spent up to now is 91.0 secs
Computing kpt #: 224
total cpu time spent up to now is 91.4 secs
Computing kpt #: 225
total cpu time spent up to now is 91.7 secs
Computing kpt #: 226
total cpu time spent up to now is 92.0 secs
Computing kpt #: 227
total cpu time spent up to now is 92.4 secs
Computing kpt #: 228
total cpu time spent up to now is 92.7 secs
Computing kpt #: 229
total cpu time spent up to now is 93.0 secs
Computing kpt #: 230
total cpu time spent up to now is 93.4 secs
Computing kpt #: 231
total cpu time spent up to now is 93.7 secs
Computing kpt #: 232
total cpu time spent up to now is 94.1 secs
Computing kpt #: 233
total cpu time spent up to now is 94.4 secs
Computing kpt #: 234
total cpu time spent up to now is 94.7 secs
Computing kpt #: 235
total cpu time spent up to now is 95.1 secs
Computing kpt #: 236
total cpu time spent up to now is 95.4 secs
Computing kpt #: 237
total cpu time spent up to now is 95.7 secs
Computing kpt #: 238
total cpu time spent up to now is 96.0 secs
Computing kpt #: 239
total cpu time spent up to now is 96.3 secs
Computing kpt #: 240
total cpu time spent up to now is 96.6 secs
Computing kpt #: 241
total cpu time spent up to now is 96.9 secs
Computing kpt #: 242
total cpu time spent up to now is 97.2 secs
Computing kpt #: 243
total cpu time spent up to now is 97.5 secs
Computing kpt #: 244
total cpu time spent up to now is 97.9 secs
Computing kpt #: 245
total cpu time spent up to now is 98.2 secs
Computing kpt #: 246
total cpu time spent up to now is 98.6 secs
Computing kpt #: 247
total cpu time spent up to now is 98.9 secs
Computing kpt #: 248
total cpu time spent up to now is 99.3 secs
Computing kpt #: 249
total cpu time spent up to now is 99.6 secs
Computing kpt #: 250
total cpu time spent up to now is 100.0 secs
Computing kpt #: 251
total cpu time spent up to now is 100.3 secs
Computing kpt #: 252
total cpu time spent up to now is 100.7 secs
Computing kpt #: 253
total cpu time spent up to now is 101.0 secs
Computing kpt #: 254
total cpu time spent up to now is 101.4 secs
Computing kpt #: 255
total cpu time spent up to now is 101.8 secs
Computing kpt #: 256
total cpu time spent up to now is 102.2 secs
Computing kpt #: 257
total cpu time spent up to now is 102.6 secs
Computing kpt #: 258
total cpu time spent up to now is 102.9 secs
Computing kpt #: 259
total cpu time spent up to now is 103.4 secs
Computing kpt #: 260
total cpu time spent up to now is 103.8 secs
Computing kpt #: 261
total cpu time spent up to now is 104.2 secs
Computing kpt #: 262
total cpu time spent up to now is 104.6 secs
Computing kpt #: 263
total cpu time spent up to now is 105.0 secs
Computing kpt #: 264
total cpu time spent up to now is 105.4 secs
Computing kpt #: 265
total cpu time spent up to now is 105.8 secs
Computing kpt #: 266
total cpu time spent up to now is 106.2 secs
Computing kpt #: 267
total cpu time spent up to now is 106.6 secs
Computing kpt #: 268
total cpu time spent up to now is 107.0 secs
Computing kpt #: 269
total cpu time spent up to now is 107.4 secs
Computing kpt #: 270
total cpu time spent up to now is 107.8 secs
Computing kpt #: 271
total cpu time spent up to now is 108.2 secs
Computing kpt #: 272
total cpu time spent up to now is 108.8 secs
Computing kpt #: 273
total cpu time spent up to now is 109.3 secs
Computing kpt #: 274
total cpu time spent up to now is 109.8 secs
Computing kpt #: 275
total cpu time spent up to now is 110.4 secs
Computing kpt #: 276
total cpu time spent up to now is 110.9 secs
Computing kpt #: 277
total cpu time spent up to now is 111.5 secs
Computing kpt #: 278
total cpu time spent up to now is 112.2 secs
Computing kpt #: 279
total cpu time spent up to now is 112.8 secs
Computing kpt #: 280
total cpu time spent up to now is 113.5 secs
Computing kpt #: 281
total cpu time spent up to now is 114.1 secs
Computing kpt #: 282
total cpu time spent up to now is 114.7 secs
Computing kpt #: 283
total cpu time spent up to now is 115.3 secs
Computing kpt #: 284
total cpu time spent up to now is 115.8 secs
Computing kpt #: 285
total cpu time spent up to now is 116.4 secs
Computing kpt #: 286
total cpu time spent up to now is 117.0 secs
Computing kpt #: 287
total cpu time spent up to now is 117.6 secs
Computing kpt #: 288
total cpu time spent up to now is 118.1 secs
Computing kpt #: 289
total cpu time spent up to now is 118.9 secs
Computing kpt #: 290
total cpu time spent up to now is 119.7 secs
Computing kpt #: 291
total cpu time spent up to now is 120.4 secs
Computing kpt #: 292
total cpu time spent up to now is 121.0 secs
Computing kpt #: 293
total cpu time spent up to now is 121.5 secs
Computing kpt #: 294
total cpu time spent up to now is 121.9 secs
Computing kpt #: 295
total cpu time spent up to now is 122.4 secs
Computing kpt #: 296
total cpu time spent up to now is 122.8 secs
Computing kpt #: 297
total cpu time spent up to now is 123.3 secs
Computing kpt #: 298
total cpu time spent up to now is 123.8 secs
Computing kpt #: 299
total cpu time spent up to now is 124.3 secs
Computing kpt #: 300
total cpu time spent up to now is 124.8 secs
Computing kpt #: 301
total cpu time spent up to now is 125.3 secs
Computing kpt #: 302
total cpu time spent up to now is 125.8 secs
Computing kpt #: 303
total cpu time spent up to now is 126.4 secs
Computing kpt #: 304
total cpu time spent up to now is 127.0 secs
Computing kpt #: 305
total cpu time spent up to now is 127.6 secs
Computing kpt #: 306
total cpu time spent up to now is 128.3 secs
Computing kpt #: 307
total cpu time spent up to now is 128.9 secs
Computing kpt #: 308
total cpu time spent up to now is 129.4 secs
Computing kpt #: 309
total cpu time spent up to now is 130.0 secs
Computing kpt #: 310
total cpu time spent up to now is 130.5 secs
Computing kpt #: 311
total cpu time spent up to now is 131.0 secs
Computing kpt #: 312
total cpu time spent up to now is 131.5 secs
Computing kpt #: 313
total cpu time spent up to now is 131.9 secs
Computing kpt #: 314
total cpu time spent up to now is 132.4 secs
Computing kpt #: 315
total cpu time spent up to now is 132.9 secs
Computing kpt #: 316
total cpu time spent up to now is 133.4 secs
Computing kpt #: 317
total cpu time spent up to now is 133.8 secs
Computing kpt #: 318
total cpu time spent up to now is 134.3 secs
Computing kpt #: 319
total cpu time spent up to now is 134.7 secs
Computing kpt #: 320
total cpu time spent up to now is 135.0 secs
Computing kpt #: 321
total cpu time spent up to now is 135.4 secs
Computing kpt #: 322
total cpu time spent up to now is 135.7 secs
Computing kpt #: 323
total cpu time spent up to now is 136.1 secs
Computing kpt #: 324
total cpu time spent up to now is 136.4 secs
Computing kpt #: 325
total cpu time spent up to now is 136.8 secs
Computing kpt #: 326
total cpu time spent up to now is 137.1 secs
Computing kpt #: 327
total cpu time spent up to now is 137.4 secs
Computing kpt #: 328
total cpu time spent up to now is 137.8 secs
Computing kpt #: 329
total cpu time spent up to now is 138.1 secs
Computing kpt #: 330
total cpu time spent up to now is 138.4 secs
Computing kpt #: 331
total cpu time spent up to now is 138.8 secs
Computing kpt #: 332
total cpu time spent up to now is 139.1 secs
Computing kpt #: 333
total cpu time spent up to now is 139.4 secs
Computing kpt #: 334
total cpu time spent up to now is 139.8 secs
Computing kpt #: 335
total cpu time spent up to now is 140.1 secs
Computing kpt #: 336
total cpu time spent up to now is 140.5 secs
Computing kpt #: 337
total cpu time spent up to now is 140.9 secs
Computing kpt #: 338
total cpu time spent up to now is 141.4 secs
Computing kpt #: 339
total cpu time spent up to now is 142.0 secs
Computing kpt #: 340
total cpu time spent up to now is 142.4 secs
Computing kpt #: 341
total cpu time spent up to now is 142.8 secs
Computing kpt #: 342
total cpu time spent up to now is 143.2 secs
Computing kpt #: 343
total cpu time spent up to now is 143.6 secs
Computing kpt #: 344
total cpu time spent up to now is 144.0 secs
Computing kpt #: 345
total cpu time spent up to now is 144.4 secs
Computing kpt #: 346
total cpu time spent up to now is 144.8 secs
Computing kpt #: 347
total cpu time spent up to now is 145.2 secs
Computing kpt #: 348
total cpu time spent up to now is 145.6 secs
Computing kpt #: 349
total cpu time spent up to now is 146.0 secs
Computing kpt #: 350
total cpu time spent up to now is 146.4 secs
Computing kpt #: 351
total cpu time spent up to now is 146.8 secs
Computing kpt #: 352
total cpu time spent up to now is 147.2 secs
Computing kpt #: 353
total cpu time spent up to now is 147.6 secs
Computing kpt #: 354
total cpu time spent up to now is 148.0 secs
Computing kpt #: 355
total cpu time spent up to now is 148.5 secs
Computing kpt #: 356
total cpu time spent up to now is 148.9 secs
Computing kpt #: 357
total cpu time spent up to now is 149.3 secs
Computing kpt #: 358
total cpu time spent up to now is 149.7 secs
Computing kpt #: 359
total cpu time spent up to now is 150.1 secs
Computing kpt #: 360
total cpu time spent up to now is 150.4 secs
Computing kpt #: 361
total cpu time spent up to now is 150.8 secs
Computing kpt #: 362
total cpu time spent up to now is 151.1 secs
Computing kpt #: 363
total cpu time spent up to now is 151.5 secs
Computing kpt #: 364
total cpu time spent up to now is 151.9 secs
Computing kpt #: 365
total cpu time spent up to now is 152.3 secs
Computing kpt #: 366
total cpu time spent up to now is 152.9 secs
Computing kpt #: 367
total cpu time spent up to now is 153.4 secs
Computing kpt #: 368
total cpu time spent up to now is 153.9 secs
Computing kpt #: 369
total cpu time spent up to now is 154.4 secs
Computing kpt #: 370
total cpu time spent up to now is 154.9 secs
Computing kpt #: 371
total cpu time spent up to now is 155.4 secs
Computing kpt #: 372
total cpu time spent up to now is 155.9 secs
Computing kpt #: 373
total cpu time spent up to now is 156.4 secs
Computing kpt #: 374
total cpu time spent up to now is 156.8 secs
Computing kpt #: 375
total cpu time spent up to now is 157.3 secs
Computing kpt #: 376
total cpu time spent up to now is 157.8 secs
Computing kpt #: 377
total cpu time spent up to now is 158.2 secs
Computing kpt #: 378
total cpu time spent up to now is 158.7 secs
Computing kpt #: 379
total cpu time spent up to now is 159.3 secs
Computing kpt #: 380
total cpu time spent up to now is 159.8 secs
Computing kpt #: 381
total cpu time spent up to now is 160.3 secs
Computing kpt #: 382
total cpu time spent up to now is 160.7 secs
Computing kpt #: 383
total cpu time spent up to now is 161.2 secs
Computing kpt #: 384
total cpu time spent up to now is 161.6 secs
Computing kpt #: 385
total cpu time spent up to now is 162.0 secs
Computing kpt #: 386
total cpu time spent up to now is 162.4 secs
Computing kpt #: 387
total cpu time spent up to now is 162.7 secs
Computing kpt #: 388
total cpu time spent up to now is 163.1 secs
Computing kpt #: 389
total cpu time spent up to now is 163.4 secs
Computing kpt #: 390
total cpu time spent up to now is 163.8 secs
Computing kpt #: 391
total cpu time spent up to now is 164.2 secs
Computing kpt #: 392
total cpu time spent up to now is 164.5 secs
Computing kpt #: 393
total cpu time spent up to now is 165.0 secs
Computing kpt #: 394
total cpu time spent up to now is 165.3 secs
Computing kpt #: 395
total cpu time spent up to now is 165.8 secs
Computing kpt #: 396
total cpu time spent up to now is 166.3 secs
Computing kpt #: 397
total cpu time spent up to now is 166.8 secs
Computing kpt #: 398
total cpu time spent up to now is 167.2 secs
Computing kpt #: 399
total cpu time spent up to now is 167.6 secs
Computing kpt #: 400
total cpu time spent up to now is 168.0 secs
Computing kpt #: 401
total cpu time spent up to now is 168.3 secs
Computing kpt #: 402
total cpu time spent up to now is 168.7 secs
Computing kpt #: 403
total cpu time spent up to now is 169.0 secs
Computing kpt #: 404
total cpu time spent up to now is 169.3 secs
ethr = 3.13E-08, avg # of iterations = 23.1
total cpu time spent up to now is 169.3 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 3087 PWs) bands (ev):
-2.6210 -2.6210 3.4136 3.4136 3.8540 3.8540 5.2602 5.2602
5.8570 5.8570 5.8643 5.8643 5.9717 5.9717 6.0563 6.0563
6.4744 6.4744 10.8252 10.8252 10.9751 10.9751 10.9790 10.9790
11.1259 11.1259 11.2405 11.2405 11.5239 11.5239 11.7914 11.7914
12.3915 12.3915 12.8906 12.8906 13.1700 13.1700 13.4885 13.4885
k = 0.0075 0.0126-0.0000 ( 3087 PWs) bands (ev):
-2.6196 -2.6196 3.4150 3.4150 3.8554 3.8554 5.2109 5.2109
5.7569 5.7569 5.9094 5.9094 5.9730 5.9730 6.1655 6.1655
6.4758 6.4758 10.8144 10.8144 10.8754 10.8754 10.9619 10.9619
11.2122 11.2122 11.2309 11.2309 11.5290 11.5290 11.8122 11.8122
12.3888 12.3888 12.8936 12.8936 13.1870 13.1870 13.4982 13.4982
k = 0.0151 0.0252-0.0000 ( 3087 PWs) bands (ev):
-2.6153 -2.6153 3.4190 3.4190 3.8595 3.8595 5.0945 5.0945
5.5918 5.5918 5.9770 5.9770 6.0333 6.0333 6.3377 6.3377
6.4800 6.4800 10.7223 10.7223 10.7831 10.7831 10.9233 10.9233
11.1427 11.1427 11.3828 11.3828 11.5432 11.5432 11.8644 11.8644
12.3819 12.3819 12.9030 12.9030 13.2362 13.2362 13.5274 13.5274
k = 0.0226 0.0378-0.0000 ( 3075 PWs) bands (ev):
-2.6081 -2.6081 3.4257 3.4257 3.8663 3.8663 4.9503 4.9503
5.4218 5.4218 5.9838 5.9838 6.1900 6.1900 6.4869 6.4869
6.5194 6.5194 10.5656 10.5656 10.7321 10.7321 10.8637 10.8637
11.0453 11.0453 11.5385 11.5385 11.5644 11.5644 11.9316 11.9316
12.3736 12.3736 12.9191 12.9191 13.3133 13.3133 13.5755 13.5755
k = 0.0302 0.0505-0.0000 ( 3077 PWs) bands (ev):
-2.5981 -2.5981 3.4350 3.4350 3.8759 3.8759 4.7957 4.7957
5.2522 5.2522 5.9931 5.9931 6.3621 6.3621 6.4966 6.4966
6.7054 6.7054 10.4088 10.4088 10.6644 10.6644 10.7879 10.7879
10.9328 10.9328 11.5867 11.5867 11.6956 11.6956 12.0025 12.0025
12.3666 12.3666 12.9427 12.9427 13.4131 13.4131 13.6421 13.6421
k = 0.0377 0.0631-0.0000 ( 3073 PWs) bands (ev):
-2.5851 -2.5851 3.4469 3.4469 3.8883 3.8883 4.6374 4.6374
5.0842 5.0842 6.0052 6.0052 6.5091 6.5091 6.5428 6.5428
6.8942 6.8942 10.2529 10.2529 10.5824 10.5824 10.6999 10.6999
10.8115 10.8115 11.6126 11.6126 11.8475 11.8475 12.0719 12.0719
12.3629 12.3629 12.9750 12.9750 13.5311 13.5311 13.7262 13.7262
k = 0.0452 0.0757-0.0000 ( 3063 PWs) bands (ev):
-2.5694 -2.5694 3.4613 3.4613 3.9033 3.9033 4.4785 4.4785
4.9183 4.9183 6.0200 6.0200 6.5244 6.5244 6.7293 6.7293
7.0854 7.0854 10.0984 10.0984 10.4889 10.4889 10.6028 10.6028
10.6851 10.6851 11.6395 11.6395 11.9939 11.9939 12.1376 12.1376
12.3634 12.3634 13.0176 13.0176 13.6635 13.6635 13.8264 13.8264
k = 0.0528 0.0883-0.0000 ( 3071 PWs) bands (ev):
-2.5507 -2.5507 3.4780 3.4780 3.9211 3.9211 4.3205 4.3205
4.7547 4.7547 6.0374 6.0374 6.5424 6.5424 6.9200 6.9200
7.2785 7.2785 9.9456 9.9456 10.3864 10.3864 10.4993 10.4993
10.5557 10.5557 11.6673 11.6673 12.1319 12.1319 12.1987 12.1987
12.3684 12.3684 13.0726 13.0726 13.8076 13.8076 13.9412 13.9412
k = 0.0603 0.1009-0.0000 ( 3071 PWs) bands (ev):
-2.5292 -2.5292 3.4967 3.4967 3.9417 3.9417 4.1645 4.1645
4.5935 4.5935 6.0575 6.0575 6.5632 6.5632 7.1140 7.1140
7.4733 7.4733 9.7945 9.7945 10.2769 10.2769 10.3914 10.3914
10.4249 10.4249 11.6962 11.6962 12.2556 12.2556 12.2591 12.2591
12.3779 12.3779 13.1420 13.1420 13.9613 13.9613 14.0690 14.0690
k = 0.0679 0.1135-0.0000 ( 3079 PWs) bands (ev):
-2.5049 -2.5049 3.5166 3.5166 3.9650 3.9650 4.0118 4.0118
4.4348 4.4348 6.0803 6.0803 6.5867 6.5867 7.3109 7.3109
7.6692 7.6692 9.6455 9.6455 10.1623 10.1623 10.2807 10.2807
10.2939 10.2939 11.7262 11.7262 12.3091 12.3091 12.3723 12.3723
12.3922 12.3922 13.2277 13.2277 14.1229 14.1229 14.2080 14.2080
k = 0.0754 0.1262-0.0000 ( 3081 PWs) bands (ev):
-2.4776 -2.4776 3.5350 3.5350 3.8653 3.8653 3.9910 3.9910
4.2785 4.2785 6.1057 6.1057 6.6130 6.6130 7.5100 7.5100
7.8657 7.8657 9.4985 9.4985 10.0439 10.0439 10.1617 10.1617
10.1711 10.1711 11.7576 11.7576 12.3597 12.3597 12.4096 12.4096
12.4723 12.4723 13.3297 13.3297 14.2912 14.2912 14.3569 14.3569
k = 0.0829 0.1388-0.0000 ( 3077 PWs) bands (ev):
-2.4475 -2.4475 3.5406 3.5406 3.7365 3.7365 4.0197 4.0197
4.1248 4.1248 6.1339 6.1339 6.6421 6.6421 7.7107 7.7107
8.0618 8.0618 9.3537 9.3537 9.9229 9.9229 10.0327 10.0327
10.0606 10.0606 11.7906 11.7906 12.4078 12.4078 12.4320 12.4320
12.5580 12.5580 13.4464 13.4464 14.4653 14.4653 14.5142 14.5142
k = 0.0905 0.1514-0.0000 ( 3077 PWs) bands (ev):
-2.4146 -2.4146 3.4876 3.4876 3.6712 3.6712 3.9736 3.9736
4.0512 4.0512 6.1647 6.1647 6.6739 6.6739 7.9125 7.9125
8.2559 8.2559 9.2111 9.2111 9.8003 9.8003 9.9057 9.9057
9.9541 9.9541 11.8255 11.8255 12.4510 12.4510 12.4615 12.4615
12.6321 12.6321 13.5744 13.5744 14.6445 14.6445 14.6786 14.6786
k = 0.0980 0.1640-0.0000 ( 3077 PWs) bands (ev):
-2.3787 -2.3787 3.3682 3.3682 3.6775 3.6775 3.8250 3.8250
4.0854 4.0854 6.1982 6.1982 6.7085 6.7085 8.1140 8.1140
8.4449 8.4449 9.0707 9.0707 9.6767 9.6767 9.7824 9.7824
9.8548 9.8548 11.8622 11.8622 12.4834 12.4834 12.5048 12.5048
12.6970 12.6970 13.7090 13.7090 14.8281 14.8281 14.8492 14.8492
k = 0.1056 0.1766-0.0000 ( 3073 PWs) bands (ev):
-2.3401 -2.3401 3.2320 3.2320 3.6790 3.6790 3.7058 3.7058
4.1223 4.1223 6.2344 6.2344 6.7457 6.7457 8.3131 8.3131
8.6230 8.6230 8.9327 8.9327 9.5527 9.5527 9.6652 9.6652
9.7688 9.7688 11.9011 11.9011 12.5159 12.5159 12.5509 12.5509
12.7554 12.7554 13.8447 13.8447 15.0155 15.0155 15.0251 15.0251
k = 0.1131 0.1892-0.0000 ( 3073 PWs) bands (ev):
-2.2985 -2.2985 3.0932 3.0932 3.5357 3.5357 3.7419 3.7419
4.1619 4.1619 6.2732 6.2732 6.7857 6.7857 8.5051 8.5051
8.7784 8.7784 8.7973 8.7973 9.4290 9.4290 9.5588 9.5588
9.7082 9.7082 11.9421 11.9421 12.5512 12.5512 12.5977 12.5977
12.8089 12.8089 13.9752 13.9752 15.2053 15.2053 15.2066 15.2066
k = 0.1206 0.2018-0.0000 ( 3073 PWs) bands (ev):
-2.2542 -2.2542 2.9552 2.9552 3.3949 3.3949 3.7825 3.7825
4.2043 4.2043 6.3148 6.3148 6.8285 6.8285 8.6610 8.6610
8.6821 8.6821 8.8906 8.8906 9.3057 9.3057 9.4743 9.4743
9.6944 9.6944 11.9853 11.9853 12.5895 12.5895 12.6452 12.6452
12.8590 12.8590 14.0922 14.0922 15.3894 15.3894 15.4007 15.4007
k = 0.1282 0.2145-0.0000 ( 3069 PWs) bands (ev):
-2.2069 -2.2069 2.8188 2.8188 3.2568 3.2568 3.8267 3.8267
4.2493 4.2493 6.3589 6.3589 6.8739 6.8739 8.5326 8.5326
8.8094 8.8094 8.9365 8.9365 9.1834 9.1834 9.4381 9.4381
9.7500 9.7500 12.0309 12.0309 12.6307 12.6307 12.6937 12.6937
12.9063 12.9063 14.1849 14.1849 15.5764 15.5764 15.5976 15.5976
k = 0.1357 0.2271-0.0000 ( 3069 PWs) bands (ev):
-2.1568 -2.1568 2.6846 2.6846 3.1213 3.1213 3.8742 3.8742
4.2971 4.2971 6.4058 6.4058 6.9220 6.9220 8.4043 8.4043
8.8552 8.8552 8.9181 8.9181 9.0621 9.0621 9.4897 9.4897
9.8737 9.8737 12.0788 12.0788 12.6747 12.6747 12.7432 12.7432
12.9508 12.9508 14.2402 14.2402 15.7659 15.7659 15.7971 15.7971
k = 0.1433 0.2397-0.0000 ( 3073 PWs) bands (ev):
-2.1039 -2.1039 2.5527 2.5527 2.9885 2.9885 3.9246 3.9246
4.3476 4.3476 6.4553 6.4553 6.9728 6.9728 8.2785 8.2785
8.8190 8.8190 8.8581 8.8581 8.9423 8.9423 9.6277 9.6277
10.0426 10.0426 12.1290 12.1290 12.7216 12.7216 12.7940 12.7940
12.9921 12.9921 14.2453 14.2453 15.9570 15.9570 15.9987 15.9987
k = 0.1508 0.2523-0.0000 ( 3071 PWs) bands (ev):
-2.0481 -2.0481 2.4232 2.4232 2.8584 2.8584 3.9780 3.9780
4.4007 4.4007 6.5075 6.5075 7.0262 7.0262 8.1551 8.1551
8.7402 8.7402 8.7763 8.7763 8.8242 8.8242 9.8126 9.8126
10.2368 10.2368 12.1818 12.1818 12.7712 12.7712 12.8461 12.8461
13.0282 13.0282 14.1951 14.1951 16.1101 16.1101 16.1502 16.1502
k = 0.1583 0.2649-0.0000 ( 3073 PWs) bands (ev):
-1.9895 -1.9895 2.2962 2.2962 2.7309 2.7309 4.0343 4.0343
4.4566 4.4566 6.5624 6.5624 7.0822 7.0822 8.0344 8.0344
8.6442 8.6442 8.6831 8.6831 8.7084 8.7084 10.0190 10.0190
10.4457 10.4457 12.2369 12.2369 12.8235 12.8235 12.8997 12.8997
13.0557 13.0557 14.0980 14.0980 16.1639 16.1639 16.3422 16.3422
k = 0.1659 0.2775-0.0000 ( 3069 PWs) bands (ev):
-1.9281 -1.9281 2.1717 2.1717 2.6061 2.6061 4.0934 4.0934
4.5151 4.5151 6.6198 6.6198 7.1407 7.1407 7.9164 7.9164
8.5412 8.5412 8.5824 8.5824 8.5967 8.5967 10.2366 10.2366
10.6638 10.6638 12.2946 12.2946 12.8786 12.8786 12.9548 12.9548
13.0674 13.0674 13.9736 13.9736 16.2656 16.2656 16.5338 16.5338
k = 0.1734 0.2902-0.0000 ( 3061 PWs) bands (ev):
-1.8638 -1.8638 2.0499 2.0499 2.4840 2.4840 4.1553 4.1553
4.5764 4.5764 6.6800 6.6800 7.2016 7.2016 7.8012 7.8012
8.4355 8.4355 8.4746 8.4746 8.4919 8.4919 10.4609 10.4609
10.8884 10.8884 12.3547 12.3547 12.9361 12.9361 13.0113 13.0113
13.0502 13.0502 13.8485 13.8485 16.4022 16.4022 16.7233 16.7233
k = 0.1810 0.3028-0.0000 ( 3057 PWs) bands (ev):
-1.7967 -1.7967 1.9307 1.9307 2.3646 2.3646 4.2199 4.2199
4.6402 4.6402 6.7427 6.7427 7.2643 7.2643 7.6893 7.6893
8.3293 8.3293 8.3648 8.3648 8.3903 8.3903 10.6898 10.6898
11.1180 11.1180 12.4173 12.4173 12.9825 12.9825 12.9991 12.9991
13.0695 13.0695 13.7519 13.7519 16.5628 16.5628 16.9090 16.9090
k = 0.1885 0.3154-0.0000 ( 3057 PWs) bands (ev):
-1.7268 -1.7268 1.8141 1.8141 2.2479 2.2479 4.2873 4.2873
4.7068 4.7068 6.8081 6.8081 7.3274 7.3274 7.5823 7.5823
8.2237 8.2237 8.2563 8.2563 8.2897 8.2897 10.9220 10.9220
11.3516 11.3516 12.4824 12.4824 12.8610 12.8610 13.0598 13.0598
13.1291 13.1291 13.7024 13.7024 16.7397 16.7397 17.0885 17.0885
k = 0.1960 0.3280-0.0000 ( 3049 PWs) bands (ev):
-1.6540 -1.6540 1.7002 1.7002 2.1339 2.1339 4.3575 4.3575
4.7760 4.7760 6.8761 6.8761 7.3793 7.3793 7.4918 7.4918
8.1192 8.1192 8.1498 8.1498 8.1904 8.1904 11.1570 11.1570
11.5887 11.5887 12.5500 12.5500 12.6871 12.6871 13.1251 13.1251
13.1903 13.1903 13.6962 13.6962 16.9276 16.9276 17.2583 17.2583
k = 0.2036 0.3406-0.0000 ( 3049 PWs) bands (ev):
-1.5784 -1.5784 1.5890 1.5890 2.0227 2.0227 4.4304 4.4304
4.8478 4.8478 6.9466 6.9466 7.3417 7.3417 7.4958 7.4958
8.0162 8.0162 8.0454 8.0454 8.0923 8.0923 11.3940 11.3940
11.8288 11.8288 12.4803 12.4803 12.6203 12.6203 13.1930 13.1930
13.2528 13.2528 13.7188 13.7188 17.1226 17.1226 17.4133 17.4133
k = 0.2111 0.3532-0.0000 ( 3045 PWs) bands (ev):
-1.5000 -1.5000 1.4805 1.4805 1.9141 1.9141 4.5060 4.5060
4.9223 4.9223 7.0195 7.0195 7.2478 7.2478 7.5613 7.5613
7.9151 7.9151 7.9435 7.9435 7.9959 7.9959 11.6327 11.6327
12.0717 12.0717 12.2546 12.2546 12.6929 12.6929 13.2634 13.2634
13.3169 13.3169 13.7588 13.7588 17.3214 17.3214 17.5453 17.5453
k = 0.2187 0.3658-0.0000 ( 3054 PWs) bands (ev):
-1.4188 -1.4188 1.3746 1.3746 1.8083 1.8083 4.5843 4.5843
4.9993 4.9993 7.0948 7.0948 7.1500 7.1500 7.6359 7.6359
7.8160 7.8160 7.8441 7.8441 7.9013 7.9013 11.8723 11.8723
12.0177 12.0177 12.3172 12.3172 12.7680 12.7680 13.3361 13.3361
13.3823 13.3823 13.8096 13.8096 17.5207 17.5207 17.6389 17.6389
k = 0.2262 0.3785-0.0000 ( 3050 PWs) bands (ev):
-1.3348 -1.3348 1.2715 1.2715 1.7052 1.7052 4.6654 4.6654
5.0790 5.0790 7.0533 7.0533 7.1721 7.1721 7.7139 7.7139
7.7193 7.7193 7.7478 7.7478 7.8087 7.8087 11.7744 11.7744
12.1123 12.1123 12.5651 12.5651 12.8456 12.8456 13.4112 13.4112
13.4492 13.4492 13.8675 13.8675 17.6619 17.6619 17.7170 17.7170
k = 0.2337 0.3911-0.0000 ( 3054 PWs) bands (ev):
-1.2480 -1.2480 1.1711 1.1711 1.6049 1.6049 4.7491 4.7491
5.1612 5.1612 6.9588 6.9588 7.2506 7.2506 7.6242 7.6242
7.6551 7.6551 7.7178 7.7178 7.7964 7.7964 11.5274 11.5274
12.3516 12.3516 12.8153 12.8153 12.9258 12.9258 13.4885 13.4885
13.5178 13.5178 13.9304 13.9304 17.5788 17.5788 17.8960 17.8960
k = 0.2413 0.4037-0.0000 ( 3058 PWs) bands (ev):
-1.1583 -1.1583 1.0735 1.0735 1.5073 1.5073 4.8355 4.8355
5.2460 5.2460 6.8666 6.8666 7.3270 7.3270 7.5318 7.5318
7.5697 7.5697 7.6294 7.6294 7.8806 7.8806 11.2784 11.2784
12.5890 12.5890 13.0084 13.0084 13.0677 13.0677 13.5678 13.5678
13.5885 13.5885 13.9969 13.9969 17.4150 17.4150 17.7576 17.7576
k = 0.2488 0.4163-0.0000 ( 3050 PWs) bands (ev):
-1.0659 -1.0659 0.9785 0.9785 1.4124 1.4124 4.9246 4.9246
5.3333 5.3333 6.7770 6.7770 7.3805 7.3805 7.4419 7.4419
7.5121 7.5121 7.5432 7.5432 7.9673 7.9673 11.0287 11.0287
12.8219 12.8219 13.0935 13.0935 13.3221 13.3221 13.6490 13.6490
13.6627 13.6627 14.0661 14.0661 17.2215 17.2215 17.5080 17.5080
k = 0.2564 0.4289-0.0000 ( 3052 PWs) bands (ev):
-0.9707 -0.9707 0.8864 0.8864 1.3203 1.3203 5.0163 5.0163
5.4231 5.4231 6.6900 6.6900 7.3472 7.3472 7.3551 7.3551
7.4590 7.4590 7.5459 7.5459 8.0564 8.0564 10.7790 10.7790
13.0462 13.0462 13.1813 13.1813 13.5785 13.5785 13.7322 13.7322
13.7427 13.7427 14.1373 14.1373 17.0226 17.0226 17.2597 17.2597
k = 0.2639 0.4415-0.0000 ( 3052 PWs) bands (ev):
-0.8727 -0.8727 0.7970 0.7970 1.2310 1.2310 5.1106 5.1106
5.5153 5.5153 6.6057 6.6057 7.2681 7.2681 7.2747 7.2747
7.3773 7.3773 7.6266 7.6266 8.1476 8.1476 10.5301 10.5301
13.2516 13.2516 13.2740 13.2740 13.8185 13.8185 13.8280 13.8280
13.8412 13.8412 14.2098 14.2098 16.8283 16.8283 17.0145 17.0145
k = 0.2715 0.4542-0.0000 ( 3050 PWs) bands (ev):
-0.7720 -0.7720 0.7103 0.7103 1.1444 1.1444 5.2076 5.2076
5.6097 5.6097 6.5242 6.5242 7.1858 7.1858 7.1951 7.1951
7.2980 7.2980 7.7174 7.7174 8.2406 8.2406 10.2827 10.2827
13.3622 13.3622 13.4346 13.4346 13.9069 13.9069 13.9422 13.9422
14.0974 14.0974 14.2826 14.2826 16.6450 16.6450 16.7731 16.7731
k = 0.2790 0.4668-0.0000 ( 3052 PWs) bands (ev):
-0.6684 -0.6684 0.6264 0.6264 1.0606 1.0606 5.3072 5.3072
5.7063 5.7063 6.4458 6.4458 7.1058 7.1058 7.1162 7.1162
7.2210 7.2210 7.8130 7.8130 8.3350 8.3350 10.0375 10.0375
13.4572 13.4572 13.5693 13.5693 13.9960 13.9960 14.0847 14.0847
14.3546 14.3546 14.3594 14.3594 16.4780 16.4780 16.5366 16.5366
k = 0.2865 0.4794-0.0000 ( 3058 PWs) bands (ev):
-0.5621 -0.5621 0.5452 0.5452 0.9796 0.9796 5.4093 5.4093
5.8045 5.8045 6.3708 6.3708 7.0283 7.0283 7.0390 7.0390
7.1465 7.1465 7.9120 7.9120 8.4299 8.4299 9.7955 9.7955
13.5542 13.5542 13.6570 13.6570 14.0860 14.0860 14.2564 14.2564
14.4252 14.4252 14.6224 14.6224 16.3050 16.3050 16.3351 16.3351
k = 0.2941 0.4920-0.0000 ( 3052 PWs) bands (ev):
-0.4531 -0.4531 0.4669 0.4669 0.9014 0.9014 5.5140 5.5140
5.9034 5.9034 6.3002 6.3002 6.9535 6.9535 6.9641 6.9641
7.0744 7.0744 8.0140 8.0140 8.5231 8.5231 9.5591 9.5591
13.6526 13.6526 13.7051 13.7051 14.1767 14.1767 14.4422 14.4422
14.4911 14.4911 14.8872 14.8872 16.0827 16.0827 16.2221 16.2221
k = 0.3016 0.5046-0.0000 ( 3052 PWs) bands (ev):
-0.3412 -0.3412 0.3913 0.3913 0.8259 0.8259 5.6211 5.6211
5.9989 5.9989 6.2380 6.2380 6.8814 6.8814 6.8916 6.8916
7.0048 7.0048 8.1190 8.1190 8.6090 8.6090 9.3340 9.3340
13.7137 13.7137 13.7588 13.7588 14.2676 14.2676 14.5486 14.5486
14.6254 14.6254 15.1532 15.1532 15.8715 15.8715 16.1511 16.1511
k = 0.3092 0.5172-0.0000 ( 3044 PWs) bands (ev):
-0.2267 -0.2267 0.3185 0.3185 0.7532 0.7532 5.7307 5.7307
6.0676 6.0676 6.2077 6.2077 6.8121 6.8121 6.8215 6.8215
6.9376 6.9376 8.2266 8.2266 8.6676 8.6676 9.1404 9.1404
13.6969 13.6969 13.8610 13.8610 14.3580 14.3580 14.5911 14.5911
14.7926 14.7926 15.4204 15.4204 15.6781 15.6781 16.1327 16.1327
k = 0.3167 0.5298-0.0000 ( 3044 PWs) bands (ev):
-0.1094 -0.1094 0.2485 0.2485 0.6833 0.6833 5.8425 5.8425
6.0539 6.0539 6.2648 6.2648 6.7457 6.7457 6.7540 6.7540
6.8730 6.8730 8.3369 8.3369 8.6336 8.6336 9.0436 9.0436
13.6476 13.6476 13.9668 13.9668 14.4466 14.4466 14.6062 14.6062
14.9346 14.9346 15.5139 15.5139 15.6884 15.6884 16.1752 16.1752
k = 0.3242 0.5425-0.0000 ( 3040 PWs) bands (ev):
0.0107 0.0107 0.1813 0.1813 0.6162 0.6162 5.9563 5.9563
6.0022 6.0022 6.3648 6.3648 6.6824 6.6824 6.6891 6.6891
6.8109 6.8109 8.4473 8.4473 8.4778 8.4778 9.0754 9.0754
13.5684 13.5684 14.0749 14.0749 14.5320 14.5320 14.5767 14.5767
15.0497 15.0497 15.3954 15.3954 15.9570 15.9570 16.2788 16.2788
k = 0.3318 0.5551-0.0000 ( 3036 PWs) bands (ev):
0.1169 0.1169 0.1334 0.1334 0.5519 0.5519 5.9454 5.9454
6.0716 6.0716 6.4747 6.4747 6.6227 6.6227 6.6270 6.6270
6.7514 6.7514 8.2661 8.2661 8.5664 8.5664 9.1614 9.1614
13.4623 13.4623 14.1850 14.1850 14.4903 14.4903 14.6118 14.6118
15.1442 15.1442 15.3329 15.3329 16.2257 16.2257 16.4337 16.4337
k = 0.3393 0.5677-0.0000 ( 3036 PWs) bands (ev):
0.0553 0.0553 0.2589 0.2589 0.4904 0.4904 5.8891 5.8891
6.1869 6.1869 6.5658 6.5658 6.5697 6.5697 6.5892 6.5892
6.6944 6.6944 8.0445 8.0445 8.6846 8.6846 9.2650 9.2650
13.3337 13.3337 14.2959 14.2959 14.3553 14.3553 14.6822 14.6822
15.2271 15.2271 15.3172 15.3172 16.4930 16.4930 16.5473 16.5473
k = 0.3393 0.5677-0.0000 ( 3036 PWs) bands (ev):
0.0553 0.0553 0.2589 0.2589 0.4904 0.4904 5.8891 5.8891
6.1869 6.1869 6.5658 6.5658 6.5697 6.5697 6.5892 6.5892
6.6944 6.6944 8.0445 8.0445 8.6846 8.6846 9.2650 9.2650
13.3337 13.3337 14.2959 14.2959 14.3553 14.3553 14.6822 14.6822
15.2271 15.2271 15.3172 15.3172 16.4930 16.4930 16.5473 16.5473
k = 0.3246 0.5677-0.0000 ( 3038 PWs) bands (ev):
0.0672 0.0672 0.1950 0.1950 0.5432 0.5432 5.9065 5.9065
6.1283 6.1283 6.5291 6.5291 6.5496 6.5496 6.6120 6.6120
6.7724 6.7724 8.1577 8.1577 8.5761 8.5761 9.2620 9.2620
13.3964 13.3964 14.2252 14.2252 14.4054 14.4054 14.6461 14.6461
15.2001 15.2001 15.3349 15.3349 16.3214 16.3214 16.5555 16.5555
k = 0.3098 0.5677-0.0000 ( 3042 PWs) bands (ev):
0.0494 0.0494 0.1339 0.1339 0.6313 0.6313 5.9041 5.9041
6.0712 6.0712 6.4723 6.4723 6.4992 6.4992 6.6819 6.6819
6.8877 6.8877 8.2401 8.2401 8.4343 8.4343 9.3303 9.3303
13.4327 13.4327 14.1416 14.1416 14.3434 14.3434 14.6732 14.6732
15.1943 15.1943 15.3841 15.3841 16.1311 16.1311 16.5098 16.5098
k = 0.2951 0.5677-0.0000 ( 3042 PWs) bands (ev):
0.0160 0.0160 0.0756 0.0756 0.7406 0.7406 5.8875 5.8875
6.0161 6.0161 6.4181 6.4181 6.4459 6.4459 6.7713 6.7713
7.0117 7.0117 8.1344 8.1344 8.4564 8.4564 9.4300 9.4300
13.4236 13.4236 14.0741 14.0741 14.1944 14.1944 14.7580 14.7580
15.1954 15.1954 15.4517 15.4517 15.9472 15.9472 16.4657 16.4657
k = 0.2803 0.5677-0.0000 ( 3043 PWs) bands (ev):
-0.0242 -0.0242 0.0201 0.0201 0.8623 0.8623 5.8618 5.8618
5.9635 5.9635 6.3664 6.3664 6.3937 6.3937 6.8749 6.8749
7.1401 7.1401 7.9291 7.9291 8.5706 8.5706 9.5446 9.5446
13.3544 13.3544 14.0125 14.0125 14.0447 14.0447 14.8585 14.8585
15.1884 15.1884 15.5274 15.5274 15.7775 15.7775 16.4128 16.4128
k = 0.2655 0.5677-0.0000 ( 3047 PWs) bands (ev):
-0.0668 -0.0668 -0.0325 -0.0325 0.9920 0.9920 5.8311 5.8311
5.9133 5.9133 6.3173 6.3173 6.3436 6.3436 6.9886 6.9886
7.2718 7.2718 7.7099 7.7099 8.6975 8.6975 9.6677 9.6677
13.2320 13.2320 13.8190 13.8190 14.0449 14.0449 14.9628 14.9628
15.1602 15.1602 15.6049 15.6049 15.6276 15.6276 16.3430 16.3430
k = 0.2508 0.5677-0.0000 ( 3045 PWs) bands (ev):
-0.1096 -0.1096 -0.0823 -0.0823 1.1275 1.1275 5.7979 5.7979
5.8658 5.8658 6.2709 6.2709 6.2958 6.2958 7.1095 7.1095
7.4063 7.4063 7.4879 7.4879 8.8292 8.8292 9.7965 9.7965
13.0757 13.0757 13.6185 13.6185 14.0543 14.0543 15.0663 15.0663
15.1065 15.1065 15.4968 15.4968 15.6817 15.6817 16.2670 16.2670
k = 0.2360 0.5677-0.0000 ( 3047 PWs) bands (ev):
-0.1515 -0.1515 -0.1293 -0.1293 1.2676 1.2676 5.7638 5.7638
5.8208 5.8208 6.2271 6.2271 6.2505 6.2505 7.2240 7.2240
7.2774 7.2774 7.5437 7.5437 8.9642 8.9642 9.9298 9.9298
12.9007 12.9007 13.4151 13.4151 14.0496 14.0496 15.0360 15.0360
15.1667 15.1667 15.3789 15.3789 15.7561 15.7561 16.2045 16.2045
k = 0.2213 0.5677-0.0000 ( 3054 PWs) bands (ev):
-0.1918 -0.1918 -0.1735 -0.1735 1.4116 1.4116 5.7299 5.7299
5.7785 5.7785 6.1859 6.1859 6.2078 6.2078 7.0384 7.0384
7.3728 7.3728 7.6834 7.6834 9.1019 9.1019 10.0669 10.0669
12.7156 12.7156 13.2106 13.2106 14.0136 14.0136 14.9623 14.9623
15.2597 15.2597 15.2706 15.2706 15.8294 15.8294 16.1640 16.1640
k = 0.2065 0.5677-0.0000 ( 3054 PWs) bands (ev):
-0.2302 -0.2302 -0.2149 -0.2149 1.5592 1.5592 5.6968 5.6968
5.7388 5.7388 6.1474 6.1474 6.1678 6.1678 6.8179 6.8179
7.5086 7.5086 7.8254 7.8254 9.2421 9.2421 10.2072 10.2072
12.5250 12.5250 13.0065 13.0065 13.9381 13.9381 14.8782 14.8782
15.1887 15.1887 15.3422 15.3422 15.9050 15.9050 16.1439 16.1439
k = 0.1918 0.5677-0.0000 ( 3048 PWs) bands (ev):
-0.2662 -0.2662 -0.2534 -0.2534 1.7101 1.7101 5.6649 5.6649
5.7018 5.7018 6.1115 6.1115 6.1305 6.1305 6.5987 6.5987
7.6486 7.6486 7.9696 7.9696 9.3845 9.3845 10.3506 10.3506
12.3316 12.3316 12.8035 12.8035 13.8259 13.8259 14.7620 14.7620
15.1572 15.1572 15.4108 15.4108 15.9868 15.9868 16.1400 16.1400
k = 0.1770 0.5677-0.0000 ( 3048 PWs) bands (ev):
-0.3000 -0.3000 -0.2891 -0.2891 1.8642 1.8642 5.6345 5.6345
5.6675 5.6675 6.0781 6.0781 6.0958 6.0958 6.3815 6.3815
7.7920 7.7920 8.1159 8.1159 9.5288 9.5288 10.4968 10.4968
12.1373 12.1373 12.6025 12.6025 13.6864 13.6864 14.6141 14.6141
15.1707 15.1707 15.4639 15.4639 16.0779 16.0779 16.1494 16.1494
k = 0.1623 0.5677-0.0000 ( 3054 PWs) bands (ev):
-0.3312 -0.3312 -0.3219 -0.3219 2.0213 2.0213 5.6056 5.6056
5.6359 5.6359 6.0468 6.0468 6.0638 6.0638 6.1673 6.1673
7.9383 7.9383 8.2640 8.2640 9.6748 9.6748 10.6457 10.6457
11.9431 11.9431 12.4042 12.4042 13.5288 13.5288 14.4477 14.4477
15.2092 15.2092 15.5018 15.5018 16.1712 16.1712 16.1795 16.1795
k = 0.1475 0.5677-0.0000 ( 3050 PWs) bands (ev):
-0.3598 -0.3598 -0.3519 -0.3519 2.1814 2.1814 5.5774 5.5774
5.6070 5.6070 5.9522 5.9522 6.0227 6.0227 6.0345 6.0345
8.0873 8.0873 8.4137 8.4137 9.8220 9.8220 10.7971 10.7971
11.7500 11.7500 12.2093 12.2093 13.3601 13.3601 14.2719 14.2719
15.2578 15.2578 15.5271 15.5271 16.2064 16.2064 16.2904 16.2904
k = 0.1328 0.5677-0.0000 ( 3054 PWs) bands (ev):
-0.3858 -0.3858 -0.3791 -0.3791 2.3443 2.3443 5.5464 5.5464
5.5807 5.5807 5.7497 5.7497 5.9960 5.9960 6.0080 6.0080
8.2386 8.2386 8.5647 8.5647 9.9697 9.9697 10.9507 10.9507
11.5586 11.5586 12.0191 12.0191 13.1848 13.1848 14.0911 14.0911
15.3077 15.3077 15.5425 15.5425 16.2557 16.2557 16.4090 16.4090
k = 0.1180 0.5677-0.0000 ( 3050 PWs) bands (ev):
-0.4091 -0.4091 -0.4034 -0.4034 2.5100 2.5100 5.4780 5.4780
5.5572 5.5572 5.5878 5.5878 5.9733 5.9733 5.9841 5.9841
8.3919 8.3919 8.7165 8.7165 10.1169 10.1169 11.1060 11.1060
11.3699 11.3699 11.8355 11.8355 13.0058 13.0058 13.9079 13.9079
15.3537 15.3537 15.5509 15.5509 16.3201 16.3201 16.5333 16.5333
k = 0.1033 0.5677-0.0000 ( 3048 PWs) bands (ev):
-0.4297 -0.4297 -0.4250 -0.4250 2.6785 2.6785 5.3040 5.3040
5.5358 5.5358 5.5366 5.5366 5.9535 5.9535 5.9630 5.9630
8.5469 8.5469 8.8682 8.8682 10.2611 10.2611 11.1848 11.1848
11.2609 11.2609 11.6631 11.6631 12.8252 12.8252 13.7235 13.7235
15.3934 15.3934 15.5542 15.5542 16.3996 16.3996 16.6613 16.6613
k = 0.0885 0.5677-0.0000 ( 3044 PWs) bands (ev):
-0.4475 -0.4475 -0.4436 -0.4436 2.8498 2.8498 5.1052 5.1052
5.5139 5.5139 5.5182 5.5182 5.9365 5.9365 5.9446 5.9446
8.7029 8.7029 9.0187 9.0187 10.3980 10.3980 11.0045 11.0045
11.3924 11.3924 11.5301 11.5301 12.6443 12.6443 13.5390 13.5390
15.4261 15.4261 15.5540 15.5540 16.4931 16.4931 16.7913 16.7913
k = 0.0738 0.5677-0.0000 ( 3045 PWs) bands (ev):
-0.4626 -0.4626 -0.4595 -0.4595 3.0238 3.0238 4.9051 4.9051
5.4981 5.4981 5.5028 5.5028 5.9222 5.9222 5.9290 5.9290
8.8591 8.8591 9.1658 9.1658 10.5169 10.5169 10.8312 10.8312
11.3361 11.3361 11.6120 11.6120 12.4640 12.4640 13.3550 13.3550
15.4521 15.4521 15.5515 15.5515 16.5991 16.5991 16.9214 16.9214
k = 0.0590 0.5677-0.0000 ( 3045 PWs) bands (ev):
-0.4749 -0.4749 -0.4725 -0.4725 3.2004 3.2004 4.7063 4.7063
5.4859 5.4859 5.4901 5.4901 5.9106 5.9106 5.9160 5.9160
9.0142 9.0142 9.3055 9.3055 10.5944 10.5944 10.6687 10.6687
11.2546 11.2546 11.7710 11.7710 12.2853 12.2853 13.1720 13.1720
15.4726 15.4726 15.5474 15.5474 16.7153 16.7153 17.0496 17.0496
k = 0.0443 0.5677-0.0000 ( 3047 PWs) bands (ev):
-0.4845 -0.4845 -0.4827 -0.4827 3.3797 3.3797 4.5095 4.5095
5.4768 5.4768 5.4800 5.4800 5.9017 5.9017 5.9058 5.9058
9.1660 9.1660 9.4302 9.4302 10.5243 10.5243 10.5988 10.5988
11.2514 11.2514 11.9375 11.9375 12.1088 12.1088 12.9901 12.9901
15.4888 15.4888 15.5422 15.5422 16.8396 16.8396 17.1729 17.1729
k = 0.0295 0.5677-0.0000 ( 3041 PWs) bands (ev):
-0.4912 -0.4912 -0.4900 -0.4900 3.5617 3.5617 4.3150 4.3150
5.4705 5.4705 5.4727 5.4727 5.8956 5.8956 5.8983 5.8983
9.3099 9.3099 9.5245 9.5245 10.4129 10.4129 10.5348 10.5348
11.3301 11.3301 11.9357 11.9357 12.1073 12.1073 12.8098 12.8098
15.5017 15.5017 15.5361 15.5361 16.9696 16.9696 17.2860 17.2860
k = 0.0148 0.5677-0.0000 ( 3044 PWs) bands (ev):
-0.4951 -0.4951 -0.4945 -0.4945 3.7462 3.7462 4.1229 4.1229
5.4670 5.4670 5.4681 5.4681 5.8922 5.8922 5.8935 5.8935
9.4372 9.4372 9.5638 9.5638 10.3579 10.3579 10.4460 10.4460
11.4565 11.4565 11.7672 11.7672 12.2798 12.2798 12.6312 12.6312
15.5124 15.5124 15.5292 15.5292 17.1026 17.1026 17.3442 17.3442
k = 0.0000 0.5677-0.0000 ( 3048 PWs) bands (ev):
-0.4962 -0.4962 -0.4962 -0.4962 3.9333 3.9333 3.9333 3.9333
5.4662 5.4662 5.4662 5.4662 5.8915 5.8915 5.8915 5.8915
9.5304 9.5304 9.5304 9.5304 10.3748 10.3748 10.3748 10.3748
11.6059 11.6059 11.6059 11.6059 12.4545 12.4545 12.4545 12.4545
15.5214 15.5214 15.5214 15.5214 17.2344 17.2344 17.2344 17.2344
k = 0.0000 0.5677-0.0000 ( 3048 PWs) bands (ev):
-0.4962 -0.4962 -0.4962 -0.4962 3.9333 3.9333 3.9333 3.9333
5.4662 5.4662 5.4662 5.4662 5.8915 5.8915 5.8915 5.8915
9.5304 9.5304 9.5304 9.5304 10.3748 10.3748 10.3748 10.3748
11.6059 11.6059 11.6059 11.6059 12.4545 12.4545 12.4545 12.4545
15.5214 15.5214 15.5214 15.5214 17.2344 17.2344 17.2344 17.2344
k = 0.0000 0.5677 0.0148 ( 3048 PWs) bands (ev):
-0.4948 -0.4948 -0.4948 -0.4948 3.9347 3.9347 3.9347 3.9347
5.3998 5.3998 5.3998 5.3998 5.9603 5.9603 5.9603 5.9603
9.4969 9.4969 9.4972 9.4972 10.4094 10.4094 10.4097 10.4097
11.6080 11.6080 11.6081 11.6081 12.4556 12.4556 12.4557 12.4557
15.5210 15.5210 15.5212 15.5212 17.2082 17.2082 17.2090 17.2090
k = 0.0000 0.5677 0.0297 ( 3050 PWs) bands (ev):
-0.4905 -0.4905 -0.4905 -0.4905 3.9388 3.9388 3.9388 3.9388
5.2612 5.2612 5.2612 5.2612 6.1062 6.1062 6.1062 6.1062
9.4096 9.4096 9.4101 9.4101 10.5007 10.5007 10.5011 10.5011
11.6145 11.6145 11.6147 11.6147 12.4592 12.4592 12.4593 12.4593
15.5200 15.5200 15.5203 15.5203 17.1408 17.1408 17.1416 17.1416
k = 0.0000 0.5677 0.0445 ( 3044 PWs) bands (ev):
-0.4833 -0.4833 -0.4833 -0.4833 3.9457 3.9457 3.9458 3.9458
5.1024 5.1024 5.1024 5.1024 6.2770 6.2770 6.2771 6.2771
9.2906 9.2906 9.2912 9.2912 10.6260 10.6260 10.6265 10.6265
11.6259 11.6259 11.6262 11.6262 12.4652 12.4652 12.4653 12.4653
15.5182 15.5182 15.5187 15.5187 17.0487 17.0487 17.0491 17.0491
k = 0.0000 0.5677 0.0593 ( 3042 PWs) bands (ev):
-0.4732 -0.4732 -0.4732 -0.4732 3.9554 3.9554 3.9554 3.9554
4.9381 4.9381 4.9381 4.9381 6.4582 6.4582 6.4583 6.4583
9.1555 9.1555 9.1562 9.1562 10.7689 10.7689 10.7695 10.7695
11.6430 11.6430 11.6433 11.6433 12.4736 12.4736 12.4738 12.4738
15.5152 15.5152 15.5159 15.5159 16.9425 16.9425 16.9427 16.9427
k = 0.0000 0.5677 0.0741 ( 3052 PWs) bands (ev):
-0.4602 -0.4602 -0.4602 -0.4602 3.9677 3.9677 3.9677 3.9677
4.7728 4.7728 4.7729 4.7729 6.6450 6.6450 6.6452 6.6452
9.0123 9.0123 9.0131 9.0131 10.9197 10.9197 10.9202 10.9202
11.6674 11.6674 11.6678 11.6678 12.4844 12.4844 12.4846 12.4846
15.5106 15.5106 15.5116 15.5116 16.8286 16.8286 16.8295 16.8295
k = 0.0000 0.5677 0.0890 ( 3052 PWs) bands (ev):
-0.4443 -0.4443 -0.4443 -0.4443 3.9826 3.9826 3.9827 3.9827
4.6085 4.6085 4.6085 4.6085 6.8357 6.8357 6.8359 6.8359
8.8658 8.8658 8.8667 8.8667 11.0709 11.0709 11.0715 11.0715
11.7019 11.7019 11.7026 11.7026 12.4975 12.4975 12.4978 12.4978
15.5038 15.5038 15.5050 15.5050 16.7114 16.7114 16.7130 16.7130
k = 0.0000 0.5677 0.1038 ( 3052 PWs) bands (ev):
-0.4256 -0.4256 -0.4256 -0.4256 3.9999 3.9999 3.9999 3.9999
4.4460 4.4460 4.4460 4.4460 7.0290 7.0290 7.0293 7.0293
8.7183 8.7183 8.7193 8.7193 11.2150 11.2150 11.2155 11.2155
11.7519 11.7519 11.7527 11.7527 12.5131 12.5131 12.5134 12.5134
15.4939 15.4939 15.4953 15.4953 16.5939 16.5939 16.5961 16.5961
k = 0.0000 0.5677 0.1186 ( 3052 PWs) bands (ev):
-0.4039 -0.4039 -0.4039 -0.4039 4.0184 4.0184 4.0185 4.0185
4.2869 4.2869 4.2869 4.2869 7.2239 7.2239 7.2244 7.2244
8.5719 8.5719 8.5731 8.5731 11.3427 11.3427 11.3431 11.3431
11.8251 11.8251 11.8261 11.8261 12.5310 12.5310 12.5315 12.5315
15.4798 15.4798 15.4815 15.4815 16.4780 16.4780 16.4809 16.4809
k = 0.0000 0.5677 0.1335 ( 3046 PWs) bands (ev):
-0.3794 -0.3794 -0.3794 -0.3794 4.0306 4.0306 4.0307 4.0307
4.1391 4.1391 4.1392 4.1392 7.4188 7.4188 7.4196 7.4196
8.4287 8.4287 8.4303 8.4303 11.4456 11.4456 11.4460 11.4460
11.9286 11.9286 11.9298 11.9298 12.5514 12.5514 12.5520 12.5520
15.4602 15.4602 15.4623 15.4623 16.3655 16.3655 16.3691 16.3691
k = 0.0000 0.5677 0.1483 ( 3048 PWs) bands (ev):
-0.3520 -0.3520 -0.3520 -0.3520 3.9508 3.9508 3.9509 3.9509
4.0883 4.0883 4.0884 4.0884 7.6093 7.6093 7.6107 7.6107
8.2933 8.2933 8.2955 8.2955 11.5233 11.5233 11.5237 11.5237
12.0620 12.0620 12.0635 12.0635 12.5744 12.5744 12.5751 12.5751
15.4337 15.4337 15.4361 15.4361 16.2578 16.2578 16.2619 16.2619
k = 0.0000 0.5677 0.1631 ( 3048 PWs) bands (ev):
-0.3218 -0.3218 -0.3218 -0.3218 3.8036 3.8036 3.8037 3.8037
4.1102 4.1102 4.1102 4.1102 7.7779 7.7779 7.7806 7.7806
8.1830 8.1830 8.1865 8.1865 11.5828 11.5828 11.5833 11.5833
12.2173 12.2173 12.2190 12.2190 12.6003 12.6003 12.6014 12.6014
15.3990 15.3990 15.4017 15.4017 16.1556 16.1556 16.1604 16.1604
k = 0.0000 0.5677 0.1779 ( 3054 PWs) bands (ev):
-0.2886 -0.2886 -0.2886 -0.2886 3.6533 3.6533 3.6533 3.6533
4.1405 4.1405 4.1405 4.1405 7.8457 7.8457 7.8493 7.8493
8.1779 8.1779 8.1823 8.1823 11.6318 11.6318 11.6324 11.6324
12.3842 12.3842 12.3865 12.3865 12.6308 12.6308 12.6325 12.6325
15.3550 15.3550 15.3580 15.3580 16.0593 16.0593 16.0646 16.0646
k = 0.0000 0.5677 0.1928 ( 3052 PWs) bands (ev):
-0.2526 -0.2526 -0.2526 -0.2526 3.5043 3.5043 3.5044 3.5044
4.1747 4.1747 4.1747 4.1747 7.7692 7.7692 7.7712 7.7712
8.3236 8.3236 8.3266 8.3266 11.6755 11.6755 11.6761 11.6761
12.5473 12.5473 12.5509 12.5509 12.6751 12.6751 12.6782 12.6782
15.3015 15.3015 15.3048 15.3048 15.9684 15.9684 15.9739 15.9739
k = 0.0000 0.5677 0.2076 ( 3056 PWs) bands (ev):
-0.2137 -0.2137 -0.2137 -0.2137 3.3575 3.3575 3.3576 3.3576
4.2121 4.2121 4.2121 4.2121 7.6481 7.6481 7.6494 7.6494
8.5173 8.5173 8.5195 8.5195 11.7167 11.7167 11.7174 11.7174
12.6504 12.6504 12.6534 12.6534 12.7882 12.7882 12.7907 12.7907
15.2394 15.2394 15.2428 15.2428 15.8814 15.8814 15.8870 15.8870
k = 0.0000 0.5677 0.2224 ( 3054 PWs) bands (ev):
-0.1720 -0.1720 -0.1720 -0.1720 3.2131 3.2131 3.2132 3.2132
4.2524 4.2524 4.2524 4.2524 7.5179 7.5179 7.5188 7.5188
8.7238 8.7238 8.7256 8.7256 11.7571 11.7571 11.7579 11.7579
12.6973 12.6973 12.6988 12.6988 12.9628 12.9628 12.9638 12.9638
15.1706 15.1706 15.1741 15.1741 15.7966 15.7966 15.8022 15.8022
k = 0.0000 0.5677 0.2373 ( 3056 PWs) bands (ev):
-0.1274 -0.1274 -0.1273 -0.1273 3.0712 3.0712 3.0713 3.0713
4.2957 4.2957 4.2957 4.2957 7.3860 7.3860 7.3866 7.3866
8.9359 8.9359 8.9375 8.9375 11.7975 11.7975 11.7984 11.7984
12.7352 12.7352 12.7361 12.7361 13.1475 13.1475 13.1481 13.1481
15.0977 15.0977 15.1012 15.1012 15.7125 15.7125 15.7178 15.7178
k = 0.0000 0.5677 0.2521 ( 3064 PWs) bands (ev):
-0.0799 -0.0799 -0.0799 -0.0799 2.9319 2.9319 2.9319 2.9319
4.3418 4.3418 4.3418 4.3418 7.2546 7.2546 7.2551 7.2551
9.1513 9.1513 9.1528 9.1528 11.8385 11.8385 11.8395 11.8395
12.7720 12.7720 12.7727 12.7727 13.3324 13.3324 13.3329 13.3329
15.0241 15.0241 15.0276 15.0276 15.6280 15.6280 15.6330 15.6330
k = 0.0000 0.5677 0.2669 ( 3070 PWs) bands (ev):
-0.0295 -0.0295 -0.0295 -0.0295 2.7952 2.7952 2.7952 2.7952
4.3907 4.3907 4.3908 4.3908 7.1246 7.1246 7.1250 7.1250
9.3691 9.3691 9.3706 9.3706 11.8802 11.8802 11.8813 11.8813
12.8091 12.8091 12.8096 12.8096 13.5130 13.5130 13.5136 13.5136
14.9537 14.9537 14.9572 14.9572 15.5430 15.5430 15.5476 15.5476
k = 0.0000 0.5677 0.2817 ( 3062 PWs) bands (ev):
0.0237 0.0237 0.0237 0.0237 2.6611 2.6611 2.6612 2.6612
4.4425 4.4425 4.4425 4.4425 6.9965 6.9965 6.9968 6.9968
9.5887 9.5887 9.5903 9.5903 11.9229 11.9229 11.9241 11.9241
12.8467 12.8467 12.8471 12.8471 13.6840 13.6840 13.6850 13.6850
14.8917 14.8917 14.8955 14.8955 15.4581 15.4581 15.4622 15.4622
k = 0.0000 0.5677 0.2966 ( 3060 PWs) bands (ev):
0.0797 0.0797 0.0797 0.0797 2.5298 2.5298 2.5298 2.5298
4.4970 4.4970 4.4971 4.4971 6.8705 6.8705 6.8708 6.8708
9.8097 9.8097 9.8112 9.8112 11.9664 11.9664 11.9677 11.9677
12.8845 12.8845 12.8848 12.8848 13.8377 13.8377 13.8392 13.8392
14.8455 14.8455 14.8497 14.8497 15.3748 15.3748 15.3785 15.3785
k = 0.0000 0.5677 0.3114 ( 3062 PWs) bands (ev):
0.1386 0.1386 0.1386 0.1386 2.4011 2.4011 2.4011 2.4011
4.5544 4.5544 4.5544 4.5544 6.7467 6.7467 6.7470 6.7470
10.0315 10.0315 10.0332 10.0332 12.0107 12.0107 12.0121 12.0121
12.9220 12.9220 12.9224 12.9224 13.9619 13.9619 13.9641 13.9641
14.8249 14.8249 14.8295 14.8295 15.2960 15.2960 15.2991 15.2991
k = 0.0000 0.5677 0.3262 ( 3060 PWs) bands (ev):
0.2004 0.2004 0.2004 0.2004 2.2751 2.2751 2.2751 2.2751
4.6145 4.6145 4.6145 4.6145 6.6253 6.6253 6.6255 6.6255
10.2538 10.2538 10.2555 10.2555 12.0557 12.0557 12.0572 12.0572
12.9587 12.9587 12.9591 12.9591 14.0436 14.0436 14.0465 14.0465
14.8366 14.8366 14.8414 14.8414 15.2282 15.2282 15.2307 15.2307
k = 0.0000 0.5677 0.3411 ( 3066 PWs) bands (ev):
0.2649 0.2649 0.2649 0.2649 2.1518 2.1518 2.1518 2.1518
4.6774 4.6774 4.6774 4.6774 6.5063 6.5063 6.5065 6.5065
10.4758 10.4758 10.4776 10.4776 12.1012 12.1012 12.1029 12.1029
12.9935 12.9935 12.9939 12.9939 14.0782 14.0782 14.0815 14.0815
14.8670 14.8670 14.8711 14.8711 15.1888 15.1888 15.1900 15.1900
k = 0.0000 0.5677 0.3559 ( 3066 PWs) bands (ev):
0.3323 0.3323 0.3323 0.3323 2.0313 2.0313 2.0313 2.0313
4.7431 4.7431 4.7431 4.7431 6.3898 6.3898 6.3899 6.3899
10.6968 10.6968 10.6988 10.6988 12.1469 12.1469 12.1488 12.1488
13.0252 13.0252 13.0257 13.0257 14.0757 14.0757 14.0792 14.0792
14.8717 14.8717 14.8738 14.8738 15.2051 15.2051 15.2059 15.2059
k = 0.0000 0.5677 0.3707 ( 3062 PWs) bands (ev):
0.4025 0.4025 0.4026 0.4026 1.9135 1.9135 1.9135 1.9135
4.8115 4.8115 4.8115 4.8115 6.2758 6.2758 6.2759 6.2759
10.9158 10.9158 10.9180 10.9180 12.1928 12.1928 12.1948 12.1948
13.0520 13.0520 13.0527 13.0527 14.0520 14.0520 14.0555 14.0555
14.8311 14.8311 14.8319 14.8319 15.2577 15.2577 15.2592 15.2592
k = 0.0000 0.5677 0.3855 ( 3062 PWs) bands (ev):
0.4756 0.4756 0.4756 0.4756 1.7985 1.7985 1.7986 1.7986
4.8827 4.8827 4.8827 4.8827 6.1643 6.1643 6.1645 6.1645
11.1311 11.1311 11.1336 11.1336 12.2386 12.2386 12.2407 12.2407
13.0716 13.0716 13.0723 13.0723 14.0200 14.0200 14.0236 14.0236
14.7663 14.7663 14.7669 14.7669 15.2570 15.2570 15.2577 15.2577
k = 0.0000 0.5677 0.4004 ( 3054 PWs) bands (ev):
0.5513 0.5513 0.5514 0.5514 1.6864 1.6864 1.6864 1.6864
4.9566 4.9566 4.9567 4.9567 6.0555 6.0555 6.0556 6.0556
11.3406 11.3406 11.3435 11.3435 12.2845 12.2845 12.2868 12.2868
13.0808 13.0808 13.0817 13.0817 13.9886 13.9886 13.9923 13.9923
14.6910 14.6910 14.6919 14.6919 15.1603 15.1603 15.1603 15.1603
k = 0.0000 0.5677 0.4152 ( 3056 PWs) bands (ev):
0.6299 0.6299 0.6299 0.6299 1.5771 1.5771 1.5771 1.5771
5.0333 5.0333 5.0334 5.0334 5.9492 5.9492 5.9493 5.9493
11.5408 11.5408 11.5440 11.5440 12.3314 12.3314 12.3338 12.3338
13.0761 13.0761 13.0773 13.0773 13.9639 13.9639 13.9676 13.9676
14.6086 14.6086 14.6101 14.6101 15.0266 15.0266 15.0271 15.0271
k = 0.0000 0.5677 0.4300 ( 3054 PWs) bands (ev):
0.7110 0.7110 0.7111 0.7111 1.4707 1.4707 1.4707 1.4707
5.1127 5.1127 5.1128 5.1128 5.8456 5.8456 5.8457 5.8457
11.7258 11.7258 11.7295 11.7295 12.3813 12.3813 12.3837 12.3837
13.0538 13.0538 13.0554 13.0554 13.9499 13.9499 13.9538 13.9538
14.5189 14.5189 14.5212 14.5212 14.9008 14.9008 14.9018 14.9018
k = 0.0000 0.5677 0.4449 ( 3052 PWs) bands (ev):
0.7947 0.7947 0.7947 0.7947 1.3674 1.3674 1.3675 1.3675
5.1949 5.1949 5.1949 5.1949 5.7446 5.7446 5.7447 5.7447
11.8865 11.8865 11.8906 11.8906 12.4384 12.4384 12.4406 12.4406
13.0113 13.0113 13.0135 13.0135 13.9488 13.9488 13.9529 13.9529
14.4236 14.4236 14.4267 14.4267 14.8016 14.8016 14.8031 14.8031
k = 0.0000 0.5677 0.4597 ( 3046 PWs) bands (ev):
0.8804 0.8804 0.8804 0.8804 1.2678 1.2678 1.2678 1.2678
5.2797 5.2797 5.2798 5.2798 5.6463 5.6463 5.6463 5.6463
12.0101 12.0101 12.0144 12.0144 12.5083 12.5083 12.5095 12.5095
12.9492 12.9492 12.9524 12.9524 13.9600 13.9600 13.9644 13.9644
14.3318 14.3318 14.3356 14.3356 14.7339 14.7339 14.7355 14.7355
k = 0.0000 0.5677 0.4745 ( 3040 PWs) bands (ev):
0.9659 0.9659 0.9659 0.9659 1.1739 1.1739 1.1739 1.1739
5.3673 5.3673 5.3674 5.3674 5.5506 5.5506 5.5507 5.5507
12.0856 12.0856 12.0898 12.0898 12.5866 12.5866 12.5877 12.5877
12.8759 12.8759 12.8812 12.8812 13.9778 13.9778 13.9826 13.9826
14.2601 14.2601 14.2645 14.2645 14.6952 14.6952 14.6970 14.6970
k = 0.0000 0.5677 0.4893 ( 3044 PWs) bands (ev):
1.0247 1.0247 1.0247 1.0247 1.1122 1.1122 1.1123 1.1123
5.4563 5.4563 5.4564 5.4564 5.4589 5.4589 5.4590 5.4590
12.1104 12.1104 12.1144 12.1144 12.6312 12.6312 12.6347 12.6347
12.8318 12.8318 12.8394 12.8394 13.9875 13.9875 13.9928 13.9928
14.2312 14.2312 14.2360 14.2360 14.6827 14.6827 14.6845 14.6845
k = 0.0000 0.5677 0.4893 ( 3044 PWs) bands (ev):
1.0247 1.0247 1.0247 1.0247 1.1122 1.1122 1.1123 1.1123
5.4563 5.4563 5.4564 5.4564 5.4589 5.4589 5.4590 5.4590
12.1104 12.1104 12.1144 12.1144 12.6312 12.6312 12.6347 12.6347
12.8318 12.8318 12.8394 12.8394 13.9875 13.9875 13.9928 13.9928
14.2312 14.2312 14.2360 14.2360 14.6827 14.6827 14.6845 14.6845
k = 0.0148 0.5677 0.4893 ( 3052 PWs) bands (ev):
1.0261 1.0261 1.0261 1.0261 1.1136 1.1136 1.1137 1.1137
5.2725 5.2725 5.2725 5.2725 5.6453 5.6453 5.6454 5.6454
12.0940 12.0940 12.0974 12.0974 12.6079 12.6079 12.6110 12.6110
12.8627 12.8627 12.8700 12.8700 13.9343 13.9343 13.9388 13.9388
14.2830 14.2830 14.2885 14.2885 14.6986 14.6986 14.7004 14.7004
k = 0.0295 0.5677 0.4893 ( 3050 PWs) bands (ev):
1.0303 1.0303 1.0303 1.0303 1.1178 1.1178 1.1179 1.1179
5.0898 5.0898 5.0899 5.0899 5.8354 5.8354 5.8355 5.8355
12.0458 12.0458 12.0479 12.0479 12.5632 12.5632 12.5648 12.5648
12.9282 12.9282 12.9350 12.9350 13.8332 13.8332 13.8365 13.8365
14.3801 14.3801 14.3861 14.3861 14.7466 14.7466 14.7482 14.7482
k = 0.0443 0.5677 0.4893 ( 3052 PWs) bands (ev):
1.0372 1.0372 1.0372 1.0372 1.1249 1.1249 1.1249 1.1249
4.9098 4.9098 4.9098 4.9098 6.0280 6.0280 6.0281 6.0281
11.9702 11.9702 11.9706 11.9706 12.5179 12.5179 12.5181 12.5181
13.0006 13.0006 13.0067 13.0067 13.7275 13.7275 13.7296 13.7296
14.4814 14.4814 14.4873 14.4873 14.8258 14.8258 14.8268 14.8268
k = 0.0590 0.5677 0.4893 ( 3056 PWs) bands (ev):
1.0469 1.0469 1.0469 1.0469 1.1347 1.1347 1.1347 1.1347
4.7323 4.7323 4.7323 4.7323 6.2230 6.2230 6.2231 6.2231
11.8724 11.8724 11.8734 11.8734 12.4728 12.4728 12.4747 12.4747
13.0674 13.0674 13.0724 13.0724 13.6315 13.6315 13.6323 13.6323
14.5808 14.5808 14.5859 14.5859 14.9303 14.9303 14.9303 14.9303
k = 0.0738 0.5677 0.4893 ( 3060 PWs) bands (ev):
1.0594 1.0594 1.0594 1.0594 1.1473 1.1473 1.1474 1.1474
4.5574 4.5574 4.5574 4.5574 6.4203 6.4203 6.4205 6.4205
11.7597 11.7597 11.7620 11.7620 12.4258 12.4258 12.4292 12.4292
13.1197 13.1197 13.1234 13.1234 13.5547 13.5547 13.5554 13.5554
14.6810 14.6810 14.6850 14.6850 15.0489 15.0489 15.0500 15.0500
k = 0.0885 0.5677 0.4893 ( 3056 PWs) bands (ev):
1.0746 1.0746 1.0746 1.0746 1.1627 1.1627 1.1628 1.1628
4.3852 4.3852 4.3852 4.3852 6.6199 6.6199 6.6201 6.6201
11.6378 11.6378 11.6409 11.6409 12.3726 12.3726 12.3773 12.3773
13.1487 13.1487 13.1510 13.1510 13.5078 13.5078 13.5100 13.5100
14.7852 14.7852 14.7881 14.7881 15.1718 15.1718 15.1739 15.1739
k = 0.1033 0.5677 0.4893 ( 3056 PWs) bands (ev):
1.0925 1.0925 1.0926 1.0926 1.1810 1.1810 1.1810 1.1810
4.2156 4.2156 4.2156 4.2156 6.8219 6.8219 6.8221 6.8221
11.5099 11.5099 11.5137 11.5137 12.3097 12.3097 12.3153 12.3153
13.1508 13.1508 13.1521 13.1521 13.4972 13.4972 13.5003 13.5003
14.8933 14.8933 14.8952 14.8952 15.2874 15.2874 15.2903 15.2903
k = 0.1180 0.5677 0.4893 ( 3054 PWs) bands (ev):
1.1132 1.1132 1.1133 1.1133 1.2020 1.2020 1.2020 1.2020
4.0487 4.0487 4.0487 4.0487 7.0260 7.0260 7.0262 7.0262
11.3785 11.3785 11.3827 11.3827 12.2353 12.2353 12.2415 12.2415
13.1357 13.1357 13.1367 13.1367 13.5149 13.5149 13.5182 13.5182
15.0001 15.0001 15.0013 15.0013 15.3832 15.3832 15.3863 15.3863
k = 0.1328 0.5677 0.4893 ( 3054 PWs) bands (ev):
1.1366 1.1366 1.1367 1.1367 1.2258 1.2258 1.2258 1.2258
3.8846 3.8846 3.8846 3.8846 7.2322 7.2322 7.2325 7.2325
11.2450 11.2450 11.2496 11.2496 12.1492 12.1492 12.1558 12.1558
13.1174 13.1174 13.1185 13.1185 13.5474 13.5474 13.5503 13.5503
15.0914 15.0914 15.0922 15.0922 15.4553 15.4553 15.4574 15.4574
k = 0.1475 0.5677 0.4893 ( 3054 PWs) bands (ev):
1.1627 1.1627 1.1628 1.1628 1.2523 1.2523 1.2524 1.2524
3.7233 3.7233 3.7233 3.7233 7.4404 7.4404 7.4408 7.4408
11.1106 11.1106 11.1154 11.1154 12.0528 12.0528 12.0596 12.0596
13.1041 13.1041 13.1053 13.1053 13.5859 13.5859 13.5883 13.5883
15.1403 15.1403 15.1411 15.1411 15.5276 15.5276 15.5280 15.5280
k = 0.1623 0.5677 0.4893 ( 3054 PWs) bands (ev):
1.1915 1.1915 1.1915 1.1915 1.2817 1.2817 1.2817 1.2817
3.5648 3.5648 3.5648 3.5648 7.6505 7.6505 7.6510 7.6510
10.9760 10.9760 10.9811 10.9811 11.9481 11.9481 11.9549 11.9549
13.0983 13.0983 13.0995 13.0995 13.6264 13.6264 13.6283 13.6283
15.1298 15.1298 15.1305 15.1305 15.6299 15.6299 15.6311 15.6311
k = 0.1770 0.5677 0.4893 ( 3054 PWs) bands (ev):
1.2228 1.2228 1.2229 1.2229 1.3137 1.3137 1.3138 1.3138
3.4092 3.4092 3.4092 3.4092 7.8623 7.8623 7.8629 7.8629
10.8420 10.8420 10.8472 10.8472 11.8374 11.8374 11.8440 11.8440
13.1001 13.1001 13.1013 13.1013 13.6672 13.6672 13.6686 13.6686
15.0758 15.0758 15.0762 15.0762 15.7623 15.7623 15.7644 15.7644
k = 0.1918 0.5677 0.4893 ( 3050 PWs) bands (ev):
1.2568 1.2568 1.2568 1.2568 1.3486 1.3486 1.3486 1.3486
3.2566 3.2566 3.2566 3.2566 8.0756 8.0756 8.0763 8.0763
10.7089 10.7089 10.7143 10.7143 11.7226 11.7226 11.7291 11.7291
13.1087 13.1087 13.1099 13.1099 13.7076 13.7076 13.7086 13.7086
14.9991 14.9991 14.9992 14.9992 15.9125 15.9125 15.9153 15.9153
k = 0.2065 0.5677 0.4893 ( 3050 PWs) bands (ev):
1.2931 1.2931 1.2932 1.2932 1.3861 1.3861 1.3861 1.3861
3.1071 3.1071 3.1072 3.1072 8.2900 8.2900 8.2909 8.2909
10.5772 10.5772 10.5828 10.5828 11.6054 11.6054 11.6116 11.6116
13.1231 13.1231 13.1241 13.1241 13.7473 13.7473 13.7479 13.7479
14.9118 14.9118 14.9119 14.9119 16.0728 16.0728 16.0760 16.0760
k = 0.2213 0.5677 0.4893 ( 3042 PWs) bands (ev):
1.3318 1.3318 1.3319 1.3319 1.4263 1.4263 1.4263 1.4263
2.9609 2.9609 2.9610 2.9610 8.5050 8.5050 8.5062 8.5062
10.4475 10.4475 10.4534 10.4534 11.4872 11.4872 11.4932 11.4932
13.1422 13.1422 13.1432 13.1432 13.7857 13.7857 13.7859 13.7859
14.8206 14.8206 14.8208 14.8208 16.2387 16.2387 16.2424 16.2424
k = 0.2360 0.5677 0.4893 ( 3046 PWs) bands (ev):
1.3727 1.3727 1.3727 1.3727 1.4691 1.4691 1.4691 1.4691
2.8183 2.8183 2.8183 2.8183 8.7197 8.7197 8.7213 8.7213
10.3205 10.3205 10.3267 10.3267 11.3693 11.3693 11.3750 11.3750
13.1651 13.1651 13.1660 13.1660 13.8221 13.8221 13.8221 13.8221
14.7296 14.7296 14.7300 14.7300 16.4076 16.4076 16.4115 16.4115
k = 0.2508 0.5677 0.4893 ( 3046 PWs) bands (ev):
1.4153 1.4153 1.4153 1.4153 1.5145 1.5145 1.5145 1.5145
2.6796 2.6796 2.6796 2.6796 8.9326 8.9326 8.9348 8.9348
10.1971 10.1971 10.2038 10.2038 11.2528 11.2528 11.2582 11.2582
13.1910 13.1910 13.1918 13.1918 13.8553 13.8553 13.8556 13.8556
14.6424 14.6424 14.6429 14.6429 16.5771 16.5771 16.5813 16.5813
k = 0.2655 0.5677 0.4893 ( 3048 PWs) bands (ev):
1.4592 1.4592 1.4592 1.4592 1.5623 1.5623 1.5624 1.5624
2.5454 2.5454 2.5455 2.5455 9.1406 9.1406 9.1436 9.1436
10.0797 10.0797 10.0871 10.0871 11.1391 11.1391 11.1442 11.1442
13.2190 13.2190 13.2197 13.2197 13.8836 13.8836 13.8841 13.8841
14.5625 14.5625 14.5631 14.5631 16.7453 16.7453 16.7496 16.7497
k = 0.2803 0.5677 0.4893 ( 3042 PWs) bands (ev):
1.5033 1.5033 1.5033 1.5033 1.6125 1.6125 1.6126 1.6126
2.4170 2.4170 2.4171 2.4171 9.3354 9.3354 9.3399 9.3399
9.9746 9.9746 9.9833 9.9833 11.0302 11.0302 11.0350 11.0350
13.2478 13.2478 13.2484 13.2484 13.9043 13.9043 13.9050 13.9050
14.4943 14.4943 14.4950 14.4950 16.9101 16.9101 16.9145 16.9145
k = 0.2951 0.5677 0.4893 ( 3046 PWs) bands (ev):
1.5457 1.5457 1.5457 1.5457 1.6649 1.6649 1.6649 1.6649
2.2965 2.2965 2.2965 2.2965 9.4911 9.4911 9.4976 9.4976
9.9049 9.9049 9.9152 9.9152 10.9294 10.9294 10.9336 10.9336
13.2761 13.2761 13.2766 13.2766 13.9142 13.9142 13.9149 13.9149
14.4430 14.4430 14.4436 14.4436 17.0692 17.0692 17.0735 17.0735
k = 0.3098 0.5677 0.4893 ( 3046 PWs) bands (ev):
1.5824 1.5824 1.5824 1.5824 1.7191 1.7191 1.7192 1.7192
2.1880 2.1880 2.1881 2.1881 9.5426 9.5426 9.5479 9.5479
9.9330 9.9330 9.9414 9.9414 10.8434 10.8434 10.8469 10.8469
13.3018 13.3018 13.3022 13.3022 13.9111 13.9111 13.9117 13.9117
14.4128 14.4128 14.4133 14.4133 17.2203 17.2203 17.2246 17.2246
k = 0.3246 0.5677 0.4893 ( 3046 PWs) bands (ev):
1.6049 1.6049 1.6049 1.6049 1.7751 1.7751 1.7751 1.7751
2.1004 2.1004 2.1004 2.1004 9.4875 9.4875 9.4893 9.4893
10.0455 10.0455 10.0493 10.0493 10.7874 10.7874 10.7895 10.7895
13.3221 13.3221 13.3223 13.3223 13.8971 13.8971 13.8974 13.8974
14.4048 14.4048 14.4050 14.4050 17.3612 17.3612 17.3653 17.3653
k = 0.3393 0.5677 0.4893 ( 3048 PWs) bands (ev):
1.5994 1.5994 1.5994 1.5994 1.8325 1.8325 1.8325 1.8325
2.0477 2.0477 2.0477 2.0477 9.3944 9.3944 9.3944 9.3944
10.1401 10.1401 10.1401 10.1401 10.7911 10.7911 10.7911 10.7911
13.3330 13.3330 13.3330 13.3330 13.8792 13.8792 13.8792 13.8792
14.4157 14.4157 14.4157 14.4157 17.4850 17.4850 17.4850 17.4850
k = 0.3393 0.5677 0.4893 ( 3048 PWs) bands (ev):
1.5994 1.5994 1.5994 1.5994 1.8325 1.8325 1.8325 1.8325
2.0477 2.0477 2.0477 2.0477 9.3944 9.3944 9.3944 9.3944
10.1401 10.1401 10.1401 10.1401 10.7911 10.7911 10.7911 10.7911
13.3330 13.3330 13.3330 13.3330 13.8792 13.8792 13.8792 13.8792
14.4157 14.4157 14.4157 14.4157 17.4850 17.4850 17.4850 17.4850
k = 0.3318 0.5551 0.4893 ( 3048 PWs) bands (ev):
1.6255 1.6255 1.6255 1.6255 1.7431 1.7431 1.7431 1.7431
2.1087 2.1087 2.1087 2.1087 9.5830 9.5830 9.5830 9.5830
10.0238 10.0238 10.0238 10.0238 10.7138 10.7138 10.7138 10.7138
13.3203 13.3203 13.3203 13.3203 13.9113 13.9113 13.9113 13.9113
14.3851 14.3851 14.3851 14.3851 17.2900 17.2900 17.2900 17.2900
k = 0.3242 0.5425 0.4893 ( 3044 PWs) bands (ev):
1.5529 1.5529 1.5529 1.5529 1.7580 1.7580 1.7580 1.7580
2.1724 2.1724 2.1724 2.1724 9.7480 9.7480 9.7480 9.7480
9.9102 9.9102 9.9102 9.9102 10.6616 10.6616 10.6616 10.6616
13.3007 13.3007 13.3007 13.3007 13.9416 13.9416 13.9416 13.9416
14.3653 14.3653 14.3653 14.3653 17.0691 17.0691 17.0691 17.0691
k = 0.3167 0.5298 0.4893 ( 3044 PWs) bands (ev):
1.4427 1.4427 1.4427 1.4427 1.8158 1.8158 1.8158 1.8158
2.2389 2.2389 2.2389 2.2389 9.7964 9.7964 9.7964 9.7964
9.8725 9.8725 9.8725 9.8725 10.6538 10.6538 10.6538 10.6538
13.2749 13.2749 13.2749 13.2749 13.9692 13.9692 13.9692 13.9692
14.3560 14.3560 14.3560 14.3560 16.8404 16.8404 16.8404 16.8404
k = 0.3092 0.5172 0.4893 ( 3044 PWs) bands (ev):
1.3296 1.3296 1.3296 1.3296 1.8820 1.8820 1.8820 1.8820
2.3081 2.3081 2.3081 2.3081 9.6883 9.6883 9.6883 9.6883
9.9299 9.9299 9.9299 9.9299 10.7104 10.7104 10.7104 10.7104
13.2440 13.2440 13.2440 13.2440 13.9929 13.9929 13.9929 13.9929
14.3558 14.3558 14.3558 14.3558 16.6094 16.6094 16.6094 16.6094
k = 0.3016 0.5046 0.4893 ( 3044 PWs) bands (ev):
1.2177 1.2177 1.2177 1.2177 1.9526 1.9526 1.9526 1.9526
2.3802 2.3802 2.3802 2.3802 9.5818 9.5818 9.5818 9.5818
9.9256 9.9256 9.9256 9.9256 10.8291 10.8291 10.8291 10.8291
13.2103 13.2103 13.2103 13.2103 14.0111 14.0111 14.0111 14.0111
14.3629 14.3629 14.3629 14.3629 16.3798 16.3798 16.3798 16.3798
k = 0.2941 0.4920 0.4893 ( 3048 PWs) bands (ev):
1.1078 1.1078 1.1078 1.1078 2.0265 2.0265 2.0265 2.0265
2.4549 2.4549 2.4549 2.4549 9.4777 9.4777 9.4777 9.4777
9.8810 9.8810 9.8810 9.8810 10.9858 10.9858 10.9858 10.9858
13.1763 13.1763 13.1763 13.1763 14.0221 14.0221 14.0221 14.0221
14.3744 14.3744 14.3744 14.3744 16.1550 16.1550 16.1550 16.1550
k = 0.2865 0.4794 0.4893 ( 3048 PWs) bands (ev):
1.0003 1.0003 1.0003 1.0003 2.1036 2.1036 2.1036 2.1036
2.5325 2.5325 2.5325 2.5325 9.3761 9.3761 9.3761 9.3761
9.8157 9.8157 9.8157 9.8157 11.1587 11.1587 11.1587 11.1587
13.1450 13.1450 13.1450 13.1450 14.0235 14.0235 14.0235 14.0235
14.3864 14.3864 14.3864 14.3864 15.9393 15.9393 15.9393 15.9393
k = 0.2790 0.4668 0.4893 ( 3044 PWs) bands (ev):
0.8954 0.8954 0.8954 0.8954 2.1835 2.1835 2.1835 2.1835
2.6127 2.6127 2.6127 2.6127 9.2770 9.2770 9.2770 9.2770
9.7403 9.7403 9.7403 9.7403 11.3337 11.3337 11.3337 11.3337
13.1204 13.1204 13.1204 13.1204 14.0126 14.0126 14.0126 14.0126
14.3934 14.3934 14.3934 14.3934 15.7384 15.7384 15.7384 15.7384
k = 0.2715 0.4542 0.4893 ( 3038 PWs) bands (ev):
0.7931 0.7931 0.7931 0.7931 2.2663 2.2663 2.2663 2.2663
2.6957 2.6957 2.6957 2.6957 9.1805 9.1805 9.1805 9.1805
9.6602 9.6602 9.6602 9.6602 11.5009 11.5009 11.5009 11.5009
13.1067 13.1067 13.1067 13.1067 13.9866 13.9866 13.9866 13.9866
14.3878 14.3878 14.3878 14.3878 15.5608 15.5608 15.5608 15.5608
k = 0.2639 0.4415 0.4893 ( 3034 PWs) bands (ev):
0.6935 0.6935 0.6935 0.6935 2.3519 2.3519 2.3519 2.3519
2.7815 2.7815 2.7815 2.7815 9.0865 9.0865 9.0865 9.0865
9.5782 9.5782 9.5782 9.5782 11.6512 11.6512 11.6512 11.6512
13.1086 13.1086 13.1086 13.1086 13.9426 13.9426 13.9426 13.9426
14.3603 14.3603 14.3603 14.3603 15.4178 15.4178 15.4178 15.4178
k = 0.2564 0.4289 0.4893 ( 3022 PWs) bands (ev):
0.5966 0.5966 0.5966 0.5966 2.4403 2.4403 2.4403 2.4403
2.8699 2.8699 2.8699 2.8699 8.9951 8.9951 8.9951 8.9951
9.4959 9.4959 9.4959 9.4959 11.7765 11.7765 11.7765 11.7765
13.1296 13.1296 13.1296 13.1296 13.8781 13.8781 13.8781 13.8781
14.3036 14.3036 14.3036 14.3036 15.3203 15.3203 15.3203 15.3203
k = 0.2488 0.4163 0.4893 ( 3026 PWs) bands (ev):
0.5024 0.5024 0.5024 0.5024 2.5315 2.5315 2.5315 2.5315
2.9611 2.9611 2.9611 2.9611 8.9063 8.9063 8.9063 8.9063
9.4141 9.4141 9.4141 9.4141 11.8703 11.8703 11.8703 11.8703
13.1673 13.1673 13.1673 13.1673 13.7916 13.7916 13.7916 13.7916
14.2218 14.2218 14.2218 14.2218 15.2722 15.2722 15.2722 15.2722
k = 0.2413 0.4037 0.4893 ( 3022 PWs) bands (ev):
0.4110 0.4110 0.4110 0.4110 2.6254 2.6254 2.6254 2.6254
3.0550 3.0550 3.0550 3.0550 8.8201 8.8201 8.8201 8.8201
9.3334 9.3334 9.3334 9.3334 11.9307 11.9307 11.9307 11.9307
13.2069 13.2069 13.2069 13.2069 13.6832 13.6832 13.6832 13.6832
14.1379 14.1379 14.1379 14.1379 15.2670 15.2670 15.2670 15.2670
k = 0.2337 0.3911 0.4893 ( 3022 PWs) bands (ev):
0.3223 0.3223 0.3223 0.3223 2.7221 2.7221 2.7221 2.7221
3.1517 3.1517 3.1517 3.1517 8.7365 8.7365 8.7365 8.7365
9.2542 9.2542 9.2542 9.2542 11.9605 11.9605 11.9605 11.9605
13.2157 13.2157 13.2157 13.2157 13.5542 13.5542 13.5542 13.5542
14.0919 14.0919 14.0919 14.0919 15.2942 15.2942 15.2942 15.2942
k = 0.2262 0.3785 0.4893 ( 3022 PWs) bands (ev):
0.2363 0.2363 0.2363 0.2363 2.8214 2.8214 2.8214 2.8214
3.2510 3.2510 3.2510 3.2510 8.6555 8.6555 8.6555 8.6555
9.1768 9.1768 9.1768 9.1768 11.9659 11.9659 11.9659 11.9659
13.1590 13.1590 13.1590 13.1590 13.4067 13.4067 13.4067 13.4067
14.1218 14.1218 14.1218 14.1218 15.3444 15.3444 15.3444 15.3444
k = 0.2187 0.3658 0.4893 ( 3020 PWs) bands (ev):
0.1531 0.1531 0.1531 0.1531 2.9235 2.9235 2.9235 2.9235
3.3530 3.3530 3.3530 3.3530 8.5771 8.5771 8.5771 8.5771
9.1013 9.1013 9.1013 9.1013 11.9533 11.9533 11.9533 11.9533
13.0350 13.0350 13.0350 13.0350 13.2437 13.2437 13.2437 13.2437
14.2289 14.2289 14.2289 14.2289 15.4112 15.4112 15.4112 15.4112
k = 0.2111 0.3532 0.4893 ( 3030 PWs) bands (ev):
0.0727 0.0727 0.0727 0.0727 3.0283 3.0283 3.0283 3.0283
3.4577 3.4577 3.4577 3.4577 8.5013 8.5013 8.5013 8.5013
9.0279 9.0279 9.0279 9.0279 11.9283 11.9283 11.9283 11.9283
12.8669 12.8669 12.8669 12.8669 13.0680 13.0680 13.0680 13.0680
14.3880 14.3880 14.3880 14.3880 15.4913 15.4913 15.4913 15.4913
k = 0.2036 0.3406 0.4893 ( 3030 PWs) bands (ev):
-0.0050 -0.0050 -0.0050 -0.0050 3.1358 3.1358 3.1358 3.1358
3.5651 3.5651 3.5651 3.5651 8.4281 8.4281 8.4281 8.4281
8.9567 8.9567 8.9567 8.9567 11.8945 11.8945 11.8945 11.8945
12.6749 12.6749 12.6749 12.6749 12.8824 12.8824 12.8824 12.8824
14.5769 14.5769 14.5769 14.5769 15.5828 15.5828 15.5828 15.5828
k = 0.1960 0.3280 0.4893 ( 3022 PWs) bands (ev):
-0.0798 -0.0798 -0.0798 -0.0798 3.2460 3.2460 3.2460 3.2460
3.6752 3.6752 3.6752 3.6752 8.3576 8.3576 8.3576 8.3576
8.8878 8.8878 8.8878 8.8878 11.8546 11.8546 11.8546 11.8546
12.4704 12.4704 12.4704 12.4704 12.6890 12.6890 12.6890 12.6890
14.7816 14.7816 14.7816 14.7816 15.6854 15.6854 15.6854 15.6854
k = 0.1885 0.3154 0.4893 ( 3030 PWs) bands (ev):
-0.1519 -0.1519 -0.1519 -0.1519 3.3588 3.3588 3.3588 3.3588
3.7879 3.7879 3.7879 3.7879 8.2897 8.2897 8.2897 8.2897
8.8212 8.8212 8.8212 8.8212 11.8095 11.8095 11.8095 11.8095
12.2605 12.2605 12.2605 12.2605 12.4898 12.4898 12.4898 12.4898
14.9932 14.9932 14.9932 14.9932 15.7999 15.7999 15.7999 15.7999
k = 0.1810 0.3028 0.4893 ( 3026 PWs) bands (ev):
-0.2212 -0.2212 -0.2212 -0.2212 3.4743 3.4743 3.4743 3.4743
3.9033 3.9033 3.9033 3.9033 8.2245 8.2245 8.2245 8.2245
8.7570 8.7570 8.7570 8.7570 11.7575 11.7575 11.7575 11.7575
12.0516 12.0516 12.0516 12.0516 12.2864 12.2864 12.2864 12.2864
15.2048 15.2048 15.2048 15.2048 15.9284 15.9284 15.9284 15.9284
k = 0.1734 0.2902 0.4893 ( 3030 PWs) bands (ev):
-0.2877 -0.2877 -0.2877 -0.2877 3.5925 3.5925 3.5925 3.5925
4.0213 4.0213 4.0213 4.0213 8.1619 8.1619 8.1619 8.1619
8.6952 8.6952 8.6952 8.6952 11.6844 11.6844 11.6844 11.6844
11.8608 11.8608 11.8608 11.8608 12.0799 12.0799 12.0799 12.0799
15.4099 15.4099 15.4099 15.4099 16.0739 16.0739 16.0739 16.0739
k = 0.1659 0.2775 0.4893 ( 3030 PWs) bands (ev):
-0.3513 -0.3513 -0.3513 -0.3513 3.7132 3.7132 3.7132 3.7132
4.1419 4.1419 4.1419 4.1419 8.1019 8.1019 8.1019 8.1019
8.6359 8.6359 8.6359 8.6359 11.5422 11.5422 11.5422 11.5422
11.7381 11.7381 11.7381 11.7381 11.8714 11.8714 11.8714 11.8714
15.6032 15.6032 15.6032 15.6032 16.2398 16.2398 16.2398 16.2398
k = 0.1583 0.2649 0.4893 ( 3036 PWs) bands (ev):
-0.4122 -0.4122 -0.4122 -0.4122 3.8366 3.8366 3.8366 3.8366
4.2652 4.2652 4.2652 4.2652 8.0446 8.0446 8.0446 8.0446
8.5790 8.5790 8.5790 8.5790 11.3430 11.3430 11.3430 11.3430
11.6612 11.6612 11.6612 11.6612 11.6732 11.6732 11.6732 11.6732
15.7814 15.7814 15.7814 15.7814 16.4274 16.4274 16.4274 16.4274
k = 0.1508 0.2523 0.4893 ( 3044 PWs) bands (ev):
-0.4703 -0.4703 -0.4703 -0.4703 3.9626 3.9626 3.9626 3.9626
4.3911 4.3911 4.3911 4.3911 7.9899 7.9899 7.9899 7.9899
8.5247 8.5247 8.5247 8.5247 11.1301 11.1301 11.1301 11.1301
11.4511 11.4511 11.4511 11.4511 11.6228 11.6228 11.6228 11.6228
15.9446 15.9446 15.9446 15.9446 16.6351 16.6351 16.6351 16.6351
k = 0.1433 0.2397 0.4893 ( 3044 PWs) bands (ev):
-0.5255 -0.5255 -0.5255 -0.5255 4.0912 4.0912 4.0912 4.0912
4.5195 4.5195 4.5195 4.5195 7.9379 7.9379 7.9379 7.9379
8.4730 8.4730 8.4730 8.4730 10.9141 10.9141 10.9141 10.9141
11.2406 11.2406 11.2406 11.2406 11.5777 11.5777 11.5777 11.5777
16.0957 16.0957 16.0957 16.0957 16.8284 16.8284 16.8284 16.8284
k = 0.1357 0.2271 0.4893 ( 3052 PWs) bands (ev):
-0.5780 -0.5780 -0.5780 -0.5780 4.2223 4.2223 4.2223 4.2223
4.6506 4.6506 4.6506 4.6506 7.8886 7.8886 7.8886 7.8886
8.4237 8.4237 8.4237 8.4237 10.6980 10.6980 10.6980 10.6980
11.0303 11.0303 11.0303 11.0303 11.5355 11.5355 11.5355 11.5355
16.2385 16.2385 16.2385 16.2385 16.9309 16.9309 16.9309 16.9309
k = 0.1282 0.2145 0.4893 ( 3048 PWs) bands (ev):
-0.6276 -0.6276 -0.6276 -0.6276 4.3560 4.3560 4.3560 4.3560
4.7841 4.7841 4.7841 4.7841 7.8419 7.8419 7.8419 7.8419
8.3771 8.3771 8.3771 8.3771 10.4826 10.4826 10.4826 10.4826
10.8208 10.8208 10.8208 10.8208 11.4956 11.4956 11.4956 11.4956
16.3761 16.3761 16.3761 16.3761 17.0367 17.0367 17.0367 17.0367
k = 0.1206 0.2018 0.4893 ( 3048 PWs) bands (ev):
-0.6744 -0.6744 -0.6744 -0.6744 4.4922 4.4922 4.4922 4.4922
4.9202 4.9202 4.9202 4.9202 7.7978 7.7978 7.7978 7.7978
8.3331 8.3331 8.3331 8.3331 10.2686 10.2686 10.2686 10.2686
10.6121 10.6121 10.6121 10.6121 11.4579 11.4579 11.4579 11.4579
16.5106 16.5106 16.5106 16.5106 17.1454 17.1454 17.1454 17.1454
k = 0.1131 0.1892 0.4893 ( 3044 PWs) bands (ev):
-0.7184 -0.7184 -0.7184 -0.7184 4.6308 4.6308 4.6308 4.6308
5.0588 5.0588 5.0588 5.0588 7.7565 7.7565 7.7565 7.7565
8.2917 8.2917 8.2917 8.2917 10.0563 10.0563 10.0563 10.0563
10.4046 10.4046 10.4046 10.4046 11.4222 11.4222 11.4222 11.4222
16.6433 16.6433 16.6433 16.6433 17.2567 17.2567 17.2567 17.2567
k = 0.1056 0.1766 0.4893 ( 3044 PWs) bands (ev):
-0.7595 -0.7595 -0.7595 -0.7595 4.7718 4.7718 4.7718 4.7718
5.1999 5.1999 5.1999 5.1999 7.7178 7.7178 7.7178 7.7178
8.2528 8.2528 8.2528 8.2528 9.8458 9.8458 9.8458 9.8458
10.1985 10.1985 10.1985 10.1985 11.3887 11.3887 11.3887 11.3887
16.7753 16.7753 16.7753 16.7753 17.3700 17.3700 17.3700 17.3700
k = 0.0980 0.1640 0.4893 ( 3044 PWs) bands (ev):
-0.7979 -0.7979 -0.7979 -0.7979 4.9152 4.9152 4.9152 4.9152
5.3433 5.3433 5.3433 5.3433 7.6817 7.6817 7.6817 7.6817
8.2166 8.2166 8.2166 8.2166 9.6375 9.6375 9.6375 9.6375
9.9941 9.9941 9.9941 9.9941 11.3573 11.3573 11.3573 11.3573
16.9069 16.9069 16.9069 16.9069 17.4851 17.4851 17.4851 17.4851
k = 0.0905 0.1514 0.4893 ( 3038 PWs) bands (ev):
-0.8334 -0.8334 -0.8334 -0.8334 5.0609 5.0609 5.0609 5.0609
5.4892 5.4892 5.4892 5.4892 7.6483 7.6483 7.6483 7.6483
8.1831 8.1831 8.1831 8.1831 9.4314 9.4314 9.4314 9.4314
9.7914 9.7914 9.7914 9.7914 11.3280 11.3280 11.3280 11.3280
17.0384 17.0384 17.0384 17.0384 17.6013 17.6013 17.6013 17.6013
k = 0.0829 0.1388 0.4893 ( 3038 PWs) bands (ev):
-0.8660 -0.8660 -0.8660 -0.8660 5.2088 5.2088 5.2088 5.2088
5.6373 5.6373 5.6373 5.6373 7.6176 7.6176 7.6176 7.6176
8.1521 8.1521 8.1521 8.1521 9.2279 9.2279 9.2279 9.2279
9.5906 9.5906 9.5906 9.5906 11.3010 11.3010 11.3010 11.3010
17.1697 17.1697 17.1697 17.1697 17.7181 17.7181 17.7181 17.7181
k = 0.0754 0.1262 0.4893 ( 3046 PWs) bands (ev):
-0.8958 -0.8958 -0.8958 -0.8958 5.3587 5.3587 5.3587 5.3587
5.7876 5.7876 5.7876 5.7876 7.5895 7.5895 7.5895 7.5895
8.1238 8.1238 8.1238 8.1238 9.0270 9.0270 9.0270 9.0270
9.3920 9.3920 9.3920 9.3920 11.2762 11.2762 11.2762 11.2762
17.3006 17.3006 17.3006 17.3006 17.8348 17.8348 17.8348 17.8348
k = 0.0679 0.1135 0.4893 ( 3054 PWs) bands (ev):
-0.9228 -0.9228 -0.9228 -0.9228 5.5105 5.5105 5.5105 5.5105
5.9401 5.9401 5.9401 5.9401 7.5641 7.5641 7.5641 7.5641
8.0981 8.0981 8.0981 8.0981 8.8290 8.8290 8.8290 8.8290
9.1957 9.1957 9.1957 9.1957 11.2537 11.2537 11.2537 11.2537
17.4309 17.4309 17.4309 17.4309 17.9505 17.9505 17.9505 17.9505
k = 0.0603 0.1009 0.4893 ( 3054 PWs) bands (ev):
-0.9470 -0.9470 -0.9470 -0.9470 5.6639 5.6639 5.6639 5.6639
6.0944 6.0944 6.0944 6.0944 7.5414 7.5414 7.5414 7.5414
8.0749 8.0749 8.0749 8.0749 8.6344 8.6344 8.6344 8.6344
9.0020 9.0020 9.0020 9.0020 11.2335 11.2335 11.2335 11.2335
17.5598 17.5598 17.5598 17.5598 18.0642 18.0642 18.0642 18.0642
k = 0.0528 0.0883 0.4893 ( 3054 PWs) bands (ev):
-0.9683 -0.9683 -0.9683 -0.9683 5.8185 5.8185 5.8185 5.8185
6.2503 6.2503 6.2503 6.2503 7.5213 7.5213 7.5213 7.5213
8.0541 8.0541 8.0541 8.0541 8.4437 8.4437 8.4437 8.4437
8.8112 8.8112 8.8112 8.8112 11.2156 11.2156 11.2156 11.2156
17.6864 17.6864 17.6864 17.6864 18.1743 18.1743 18.1743 18.1743
k = 0.0452 0.0757 0.4893 ( 3044 PWs) bands (ev):
-0.9868 -0.9868 -0.9868 -0.9868 5.9737 5.9737 5.9737 5.9737
6.4074 6.4074 6.4074 6.4074 7.5039 7.5039 7.5039 7.5039
8.0351 8.0351 8.0351 8.0351 8.2582 8.2582 8.2582 8.2582
8.6239 8.6239 8.6239 8.6239 11.2001 11.2001 11.2001 11.2001
17.8094 17.8094 17.8094 17.8094 18.2789 18.2789 18.2789 18.2789
k = 0.0377 0.0631 0.4893 ( 3064 PWs) bands (ev):
-1.0024 -1.0024 -1.0024 -1.0024 6.1284 6.1284 6.1284 6.1284
6.5650 6.5650 6.5650 6.5650 7.4891 7.4891 7.4891 7.4891
8.0108 8.0108 8.0108 8.0108 8.0859 8.0859 8.0859 8.0859
8.4407 8.4407 8.4407 8.4407 11.1869 11.1869 11.1869 11.1869
17.9269 17.9269 17.9269 17.9269 18.3757 18.3757 18.3757 18.3757
k = 0.0302 0.0505 0.4893 ( 3060 PWs) bands (ev):
-1.0152 -1.0152 -1.0152 -1.0152 6.2807 6.2807 6.2807 6.2807
6.7217 6.7217 6.7217 6.7217 7.4769 7.4769 7.4769 7.4769
7.8915 7.8915 7.8915 7.8915 8.0187 8.0187 8.0187 8.0187
8.2631 8.2631 8.2631 8.2631 11.1761 11.1761 11.1761 11.1761
18.0359 18.0359 18.0359 18.0359 18.4616 18.4616 18.4616 18.4616
k = 0.0226 0.0378 0.4893 ( 3060 PWs) bands (ev):
-1.0252 -1.0252 -1.0252 -1.0252 6.4269 6.4269 6.4269 6.4269
6.8746 6.8746 6.8746 6.8746 7.4673 7.4673 7.4673 7.4673
7.7319 7.7319 7.7319 7.7319 8.0055 8.0055 8.0055 8.0055
8.0941 8.0941 8.0941 8.0941 11.1677 11.1677 11.1677 11.1677
18.1322 18.1322 18.1322 18.1322 18.5334 18.5334 18.5334 18.5334
k = 0.0151 0.0252 0.4893 ( 3056 PWs) bands (ev):
-1.0323 -1.0323 -1.0323 -1.0323 6.5591 6.5591 6.5591 6.5591
7.0174 7.0174 7.0174 7.0174 7.4600 7.4600 7.4600 7.4600
7.5884 7.5884 7.5884 7.5884 7.9399 7.9399 7.9399 7.9399
7.9980 7.9980 7.9980 7.9980 11.1617 11.1617 11.1617 11.1617
18.2098 18.2098 18.2098 18.2098 18.5876 18.5876 18.5876 18.5876
k = 0.0075 0.0126 0.4893 ( 3048 PWs) bands (ev):
-1.0365 -1.0365 -1.0365 -1.0365 6.6602 6.6602 6.6602 6.6602
7.1330 7.1330 7.1330 7.1330 7.4547 7.4547 7.4547 7.4547
7.4805 7.4805 7.4805 7.4805 7.8184 7.8184 7.8184 7.8184
7.9935 7.9935 7.9935 7.9935 11.1581 11.1581 11.1581 11.1581
18.2612 18.2612 18.2612 18.2612 18.6213 18.6213 18.6213 18.6213
k = 0.0000 0.0000 0.4893 ( 3048 PWs) bands (ev):
-1.0380 -1.0380 -1.0380 -1.0380 6.7005 6.7005 6.7005 6.7005
7.1823 7.1823 7.1823 7.1823 7.4371 7.4371 7.4371 7.4371
7.4534 7.4534 7.4534 7.4534 7.7676 7.7676 7.7676 7.7676
7.9921 7.9921 7.9921 7.9921 11.1569 11.1569 11.1569 11.1569
18.2794 18.2794 18.2794 18.2794 18.6328 18.6328 18.6328 18.6328
k = 0.0000 0.0000 0.4893 ( 3048 PWs) bands (ev):
-1.0380 -1.0380 -1.0380 -1.0380 6.7005 6.7005 6.7005 6.7005
7.1823 7.1823 7.1823 7.1823 7.4371 7.4371 7.4371 7.4371
7.4534 7.4534 7.4534 7.4534 7.7676 7.7676 7.7676 7.7676
7.9921 7.9921 7.9921 7.9921 11.1569 11.1569 11.1569 11.1569
18.2794 18.2794 18.2794 18.2794 18.6328 18.6328 18.6328 18.6328
k = 0.0000 0.0000 0.4745 ( 3040 PWs) bands (ev):
-1.1320 -1.1320 -0.9410 -0.9410 6.6222 6.6222 6.7753 6.7753
7.1502 7.1502 7.1913 7.1913 7.3643 7.3643 7.3654 7.3654
7.5190 7.5190 7.5434 7.5434 7.7641 7.7641 7.7992 7.7992
7.9040 7.9040 8.0824 8.0824 10.8986 10.8986 11.4170 11.4170
18.1094 18.1094 18.3961 18.3961 18.5785 18.5785 18.5942 18.5942
k = 0.0000 0.0000 0.4597 ( 3047 PWs) bands (ev):
-1.2233 -1.2233 -0.8413 -0.8413 6.5432 6.5432 6.8408 6.8408
7.1015 7.1015 7.1755 7.1755 7.2798 7.2798 7.3065 7.3065
7.6061 7.6061 7.6366 7.6366 7.7904 7.7904 7.8182 7.8182
7.8529 7.8529 8.1749 8.1749 10.6426 10.6426 11.6784 11.6784
17.9127 17.9127 18.4150 18.4150 18.4544 18.4544 18.4735 18.4735
k = 0.0000 0.0000 0.4449 ( 3055 PWs) bands (ev):
-1.3116 -1.3116 -0.7387 -0.7387 6.4648 6.4648 6.8850 6.8850
7.0428 7.0428 7.1398 7.1398 7.1976 7.1976 7.2744 7.2744
7.6977 7.6977 7.7321 7.7321 7.7355 7.7355 7.8419 7.8419
7.9211 7.9211 8.2690 8.2690 10.3892 10.3892 11.9410 11.9410
17.7027 17.7027 18.2892 18.2892 18.2965 18.2965 18.3107 18.3107
k = 0.0000 0.0000 0.4300 ( 3055 PWs) bands (ev):
-1.3972 -1.3972 -0.6334 -0.6334 6.3878 6.3878 6.8936 6.8936
6.9789 6.9789 7.0907 7.0907 7.1186 7.1186 7.2826 7.2826
7.6554 7.6554 7.7929 7.7929 7.8306 7.8306 7.9109 7.9109
8.0000 8.0000 8.3644 8.3644 10.1391 10.1391 12.2041 12.2041
17.4865 17.4865 18.0958 18.0958 18.1048 18.1048 18.1202 18.1202
k = 0.0000 0.0000 0.4152 ( 3055 PWs) bands (ev):
-1.4798 -1.4798 -0.5251 -0.5251 6.3127 6.3127 6.8666 6.8666
6.9126 6.9126 7.0314 7.0314 7.0454 7.0454 7.3300 7.3300
7.5798 7.5798 7.8910 7.8910 7.9315 7.9315 7.9922 7.9922
8.0863 8.0863 8.4598 8.4598 9.8938 9.8938 12.4672 12.4672
17.2684 17.2684 17.8813 17.8813 17.9056 17.9056 17.9064 17.9064
k = 0.0000 0.0000 0.4004 ( 3057 PWs) bands (ev):
-1.5596 -1.5596 -0.4141 -0.4141 6.2397 6.2397 6.8186 6.8186
6.8458 6.8458 6.9618 6.9618 6.9815 6.9815 7.3952 7.3952
7.5153 7.5153 7.9917 7.9917 8.0349 8.0349 8.0820 8.0820
8.1784 8.1784 8.5531 8.5531 9.6556 9.6556 12.7295 12.7295
17.0512 17.0512 17.6584 17.6584 17.6853 17.6853 17.7001 17.7001
k = 0.0000 0.0000 0.3855 ( 3057 PWs) bands (ev):
-1.6366 -1.6366 -0.3003 -0.3003 6.1689 6.1689 6.7614 6.7614
6.7794 6.7794 6.8910 6.8910 6.9204 6.9204 7.4031 7.4031
7.5252 7.5252 8.0941 8.0941 8.1407 8.1407 8.1782 8.1782
8.2753 8.2753 8.6385 8.6385 9.4310 9.4310 12.9898 12.9898
16.8372 16.8372 17.4314 17.4314 17.4621 17.4621 17.4909 17.4909
k = 0.0000 0.0000 0.3707 ( 3051 PWs) bands (ev):
-1.7106 -1.7106 -0.1837 -0.1837 6.1005 6.1005 6.7008 6.7008
6.7141 6.7141 6.8221 6.8221 6.8599 6.8599 7.3440 7.3440
7.6136 7.6136 8.1967 8.1967 8.2489 8.2489 8.2793 8.2793
8.3762 8.3762 8.6978 8.6978 9.2394 9.2394 13.2465 13.2465
16.6289 16.6289 17.2025 17.2025 17.2390 17.2390 17.2797 17.2797
k = 0.0000 0.0000 0.3559 ( 3051 PWs) bands (ev):
-1.7818 -1.7818 -0.0643 -0.0643 6.0346 6.0346 6.6395 6.6395
6.6503 6.6503 6.7557 6.7557 6.8004 6.8004 7.2788 7.2788
7.7168 7.7168 8.2945 8.2945 8.3594 8.3594 8.3846 8.3846
8.4807 8.4807 8.6823 8.6823 9.1348 9.1348 13.4966 13.4966
16.4295 16.4295 16.9729 16.9729 17.0166 17.0166 17.0676 17.0676
k = 0.0000 0.0000 0.3411 ( 3051 PWs) bands (ev):
-1.8502 -1.8502 0.0579 0.0579 5.9712 5.9712 6.5790 6.5790
6.5884 6.5884 6.6919 6.6919 6.7424 6.7424 7.2147 7.2147
7.8262 7.8262 8.3556 8.3556 8.4721 8.4721 8.4934 8.4934
8.5863 8.5863 8.5920 8.5920 9.1509 9.1509 13.7359 13.7359
16.2438 16.2438 16.7436 16.7436 16.7956 16.7956 16.8554 16.8554
k = 0.0000 0.0000 0.3262 ( 3049 PWs) bands (ev):
-1.9156 -1.9156 0.1828 0.1828 5.9103 5.9103 6.5199 6.5199
6.5286 6.5286 6.6308 6.6308 6.6860 6.6860 7.1526 7.1526
7.9401 7.9401 8.2592 8.2592 8.5865 8.5865 8.5991 8.5991
8.6055 8.6055 8.6996 8.6996 9.2297 9.2297 13.9565 13.9565
16.0796 16.0796 16.5150 16.5150 16.5763 16.5763 16.6438 16.6438
k = 0.0000 0.0000 0.3114 ( 3053 PWs) bands (ev):
-1.9782 -1.9782 0.3105 0.3105 5.8520 5.8520 6.4627 6.4627
6.4709 6.4709 6.5723 6.5723 6.6316 6.6316 7.0930 7.0930
8.0540 8.0540 8.0648 8.0648 8.6933 8.6933 8.7043 8.7043
8.7204 8.7204 8.8136 8.8136 9.3314 9.3314 14.1453 14.1453
15.9502 15.9502 16.2877 16.2877 16.3588 16.3588 16.4333 16.4333
k = 0.0000 0.0000 0.2966 ( 3055 PWs) bands (ev):
-2.0378 -2.0378 0.4410 0.4410 5.7963 5.7963 6.4077 6.4077
6.4156 6.4156 6.5165 6.5165 6.5793 6.5793 7.0360 7.0360
7.8419 7.8419 8.1792 8.1792 8.8057 8.8057 8.8227 8.8227
8.8379 8.8379 8.9305 8.9305 9.4432 9.4432 14.2824 14.2824
15.8756 15.8756 16.0619 16.0619 16.1434 16.1434 16.2241 16.2241
k = 0.0000 0.0000 0.2817 ( 3055 PWs) bands (ev):
-2.0946 -2.0946 0.5742 0.5742 5.7432 5.7432 6.3549 6.3549
6.3627 6.3627 6.4635 6.4635 6.5293 6.5293 6.9816 6.9816
7.6177 7.6177 8.3035 8.3035 8.9239 8.9239 8.9430 8.9430
8.9578 8.9578 9.0504 9.0504 9.5609 9.5609 14.3455 14.3455
15.8378 15.8378 15.8775 15.8775 15.9309 15.9309 16.0167 16.0167
k = 0.0000 0.0000 0.2669 ( 3059 PWs) bands (ev):
-2.1485 -2.1485 0.7101 0.7101 5.6927 5.6927 6.3046 6.3046
6.3123 6.3123 6.4131 6.4131 6.4815 6.4815 6.9299 6.9299
7.3924 7.3924 8.4308 8.4308 9.0456 9.0456 9.0647 9.0647
9.0799 9.0799 9.1731 9.1731 9.6828 9.6828 14.3265 14.3265
15.6159 15.6159 15.7191 15.7191 15.8110 15.8110 15.9661 15.9661
k = 0.0000 0.0000 0.2521 ( 3063 PWs) bands (ev):
-2.1995 -2.1995 0.8487 0.8487 5.6448 5.6448 6.2569 6.2569
6.2644 6.2644 6.3655 6.3655 6.4361 6.4361 6.8810 6.8810
7.1676 7.1676 8.5610 8.5610 9.1698 9.1698 9.1876 9.1876
9.2038 9.2038 9.2987 9.2987 9.8078 9.8078 14.2399 14.2399
15.3960 15.3960 15.5109 15.5109 15.6079 15.6079 16.0019 16.0019
k = 0.0000 0.0000 0.2373 ( 3073 PWs) bands (ev):
-2.2475 -2.2475 0.9900 0.9900 5.5995 5.5995 6.2116 6.2116
6.2192 6.2192 6.3205 6.3205 6.3932 6.3932 6.8347 6.8347
6.9441 6.9441 8.6941 8.6941 9.2960 9.2960 9.3114 9.3114
9.3294 9.3294 9.4271 9.4271 9.9356 9.9356 14.1088 14.1088
15.1783 15.1783 15.3053 15.3053 15.4074 15.4074 15.8006 15.8006
k = 0.0000 0.0000 0.2224 ( 3081 PWs) bands (ev):
-2.2927 -2.2927 1.1341 1.1341 5.5567 5.5567 6.1690 6.1690
6.1765 6.1765 6.2783 6.2783 6.3527 6.3527 6.7223 6.7223
6.7912 6.7912 8.8300 8.8300 9.4240 9.4240 9.4360 9.4360
9.4563 9.4563 9.5585 9.5585 10.0657 10.0657 13.9512 13.9512
14.9631 14.9631 15.1026 15.1026 15.2098 15.2098 15.6017 15.6017
k = 0.0000 0.0000 0.2076 ( 3081 PWs) bands (ev):
-2.3350 -2.3350 1.2807 1.2807 5.5164 5.5164 6.1291 6.1291
6.1365 6.1365 6.2388 6.2388 6.3148 6.3148 6.5028 6.5028
6.7505 6.7505 8.9686 8.9686 9.5532 9.5532 9.5608 9.5608
9.5843 9.5843 9.6927 9.6927 10.1977 10.1977 13.7784 13.7784
14.7504 14.7504 14.9031 14.9031 15.0154 15.0154 15.4054 15.4054
k = 0.0000 0.0000 0.1928 ( 3081 PWs) bands (ev):
-2.3744 -2.3744 1.4300 1.4300 5.4785 5.4785 6.0918 6.0918
6.0992 6.0992 6.2020 6.2020 6.2794 6.2794 6.2858 6.2858
6.7126 6.7126 9.1099 9.1099 9.6831 9.6831 9.6858 9.6858
9.7130 9.7130 9.8298 9.8298 10.3314 10.3314 13.5968 13.5968
14.5403 14.5403 14.7069 14.7069 14.8246 14.8246 15.2118 15.2118
k = 0.0000 0.0000 0.1779 ( 3069 PWs) bands (ev):
-2.4108 -2.4108 1.5819 1.5819 5.4425 5.4425 6.0572 6.0572
6.0646 6.0646 6.0718 6.0718 6.1680 6.1680 6.2465 6.2465
6.6774 6.6774 9.2539 9.2539 9.8089 9.8089 9.8147 9.8147
9.8420 9.8420 9.9694 9.9694 10.4666 10.4666 13.4102 13.4102
14.3331 14.3331 14.5143 14.5143 14.6379 14.6379 15.0229 15.0229
k = 0.0000 0.0000 0.1631 ( 3085 PWs) bands (ev):
-2.4444 -2.4444 1.7364 1.7364 5.4076 5.4076 5.8617 5.8617
6.0254 6.0254 6.0328 6.0328 6.1366 6.1366 6.2162 6.2162
6.6451 6.6451 9.4006 9.4006 9.9317 9.9317 9.9455 9.9455
9.9709 9.9709 10.1116 10.1116 10.6027 10.6027 13.2210 13.2210
14.1287 14.1287 14.3258 14.3258 14.4559 14.4559 14.8384 14.8384
k = 0.0000 0.0000 0.1483 ( 3087 PWs) bands (ev):
-2.4750 -2.4750 1.8934 1.8934 5.3709 5.3709 5.6587 5.6587
5.9962 5.9962 6.0036 6.0036 6.1080 6.1080 6.1886 6.1886
6.6155 6.6155 9.5498 9.5498 10.0524 10.0524 10.0759 10.0759
10.0990 10.0990 10.2561 10.2561 10.7395 10.7395 13.0307 13.0307
13.9276 13.9276 14.1419 14.1419 14.2792 14.2792 14.6579 14.6579
k = 0.0000 0.0000 0.1335 ( 3083 PWs) bands (ev):
-2.5028 -2.5028 2.0528 2.0528 5.3170 5.3170 5.4784 5.4784
5.9698 5.9698 5.9772 5.9772 6.0821 6.0821 6.1635 6.1635
6.5887 6.5887 9.7016 9.7016 10.1702 10.1702 10.2048 10.2048
10.2255 10.2255 10.4027 10.4027 10.8763 10.8763 12.8402 12.8402
13.7299 13.7299 13.9630 13.9630 14.1087 14.1087 14.4827 14.4827
k = 0.0000 0.0000 0.1186 ( 3079 PWs) bands (ev):
-2.5276 -2.5276 2.2145 2.2145 5.1884 5.1884 5.3781 5.3781
5.9462 5.9462 5.9535 5.9535 6.0589 6.0589 6.1410 6.1410
6.5648 6.5648 9.8560 9.8560 10.2840 10.2840 10.3314 10.3314
10.3492 10.3492 10.5508 10.5508 11.0124 11.0124 12.6503 12.6503
13.5360 13.5360 13.7900 13.7900 13.9454 13.9454 14.3140 14.3140
k = 0.0000 0.0000 0.1038 ( 3075 PWs) bands (ev):
-2.5495 -2.5495 2.3784 2.3784 5.0040 5.0040 5.3394 5.3394
5.9253 5.9253 5.9327 5.9327 6.0385 6.0385 6.1212 6.1212
6.5436 6.5436 10.0129 10.0129 10.3923 10.3923 10.4541 10.4541
10.4689 10.4689 10.7001 10.7001 11.1468 11.1468 12.4613 12.4613
13.3464 13.3464 13.6240 13.6240 13.7908 13.7908 14.1532 14.1532
k = 0.0000 0.0000 0.0890 ( 3079 PWs) bands (ev):
-2.5684 -2.5684 2.5442 2.5442 4.8105 4.8105 5.3156 5.3156
5.9072 5.9072 5.9145 5.9145 6.0208 6.0208 6.1040 6.1040
6.5253 6.5253 10.1723 10.1723 10.4937 10.4937 10.5712 10.5712
10.5828 10.5828 10.8496 10.8496 11.2781 11.2781 12.2737 12.2737
13.1620 13.1620 13.4663 13.4663 13.6467 13.6467 14.0020 14.0020
k = 0.0000 0.0000 0.0741 ( 3083 PWs) bands (ev):
-2.5845 -2.5845 2.7115 2.7115 4.6175 4.6175 5.2978 5.2978
5.8919 5.8919 5.8992 5.8992 6.0058 6.0058 6.0894 6.0894
6.5097 6.5097 10.3340 10.3340 10.5859 10.5859 10.6802 10.6802
10.6884 10.6884 10.9979 10.9979 11.4043 11.4043 12.0877 12.0877
12.9841 12.9841 13.3189 13.3189 13.5155 13.5155 13.8630 13.8630
k = 0.0000 0.0000 0.0593 ( 3079 PWs) bands (ev):
-2.5976 -2.5976 2.8795 2.8795 4.4278 4.4278 5.2840 5.2840
5.8794 5.8794 5.8867 5.8867 5.9935 5.9935 6.0775 6.0775
6.4970 6.4970 10.4980 10.4980 10.6667 10.6667 10.7781 10.7781
10.7829 10.7829 11.1428 11.1428 11.5222 11.5222 11.9037 11.9037
12.8151 12.8151 13.1846 13.1846 13.4000 13.4000 13.7395 13.7395
k = 0.0000 0.0000 0.0445 ( 3079 PWs) bands (ev):
-2.6079 -2.6079 3.0462 3.0462 4.2439 4.2439 5.2735 5.2735
5.8696 5.8696 5.8769 5.8769 5.9840 5.9840 6.0683 6.0683
6.4872 6.4872 10.6641 10.6641 10.7336 10.7336 10.8611 10.8611
10.8627 10.8627 11.2798 11.2798 11.6274 11.6274 11.7219 11.7219
12.6593 12.6593 13.0677 13.0677 13.3039 13.3039 13.6355 13.6355
k = 0.0000 0.0000 0.0297 ( 3083 PWs) bands (ev):
-2.6152 -2.6152 3.2071 3.2071 4.0705 4.0705 5.2661 5.2661
5.8626 5.8626 5.8699 5.8699 5.9771 5.9771 6.0616 6.0616
6.4801 6.4801 10.7832 10.7832 10.8321 10.8321 10.9238 10.9238
10.9252 10.9252 11.4006 11.4006 11.5428 11.5428 11.7134 11.7134
12.5251 12.5251 12.9742 12.9742 13.2312 13.2312 13.5560 13.5560
k = 0.0000 0.0000 0.0148 ( 3083 PWs) bands (ev):
-2.6195 -2.6195 3.3471 3.3471 3.9231 3.9231 5.2617 5.2617
5.8584 5.8584 5.8657 5.8657 5.9730 5.9730 6.0576 6.0576
6.4759 6.4759 10.8146 10.8146 10.9612 10.9612 10.9648 10.9648
11.0011 11.0011 11.3684 11.3684 11.4900 11.4900 11.7709 11.7709
12.4282 12.4282 12.9124 12.9124 13.1855 13.1855 13.5057 13.5057
k = 0.0000 0.0000 0.0000 ( 3087 PWs) bands (ev):
-2.6210 -2.6210 3.4136 3.4136 3.8540 3.8540 5.2602 5.2602
5.8570 5.8570 5.8643 5.8643 5.9717 5.9717 6.0563 6.0563
6.4744 6.4744 10.8252 10.8252 10.9751 10.9751 10.9790 10.9790
11.1259 11.1259 11.2405 11.2405 11.5239 11.5239 11.7914 11.7914
12.3915 12.3915 12.8906 12.8906 13.1700 13.1700 13.4885 13.4885
k = 0.0000 0.0000 0.0000 ( 3087 PWs) bands (ev):
-2.6210 -2.6210 3.4136 3.4136 3.8540 3.8540 5.2602 5.2602
5.8570 5.8570 5.8643 5.8643 5.9717 5.9717 6.0563 6.0563
6.4744 6.4744 10.8252 10.8252 10.9751 10.9751 10.9790 10.9790
11.1259 11.1259 11.2405 11.2405 11.5239 11.5239 11.7914 11.7914
12.3915 12.3915 12.8906 12.8906 13.1700 13.1700 13.4885 13.4885
k =-0.0125 0.0075 0.0000 ( 3090 PWs) bands (ev):
-2.6196 -2.6196 3.4150 3.4150 3.8553 3.8553 5.2429 5.2429
5.8122 5.8122 5.8838 5.8838 5.8931 5.8931 6.1042 6.1042
6.5554 6.5554 10.7971 10.7971 10.9406 10.9406 10.9981 10.9981
11.1216 11.1216 11.2765 11.2765 11.4576 11.4576 11.8423 11.8423
12.3475 12.3475 12.9495 12.9495 13.1765 13.1765 13.4881 13.4881
k =-0.0250 0.0149 0.0000 ( 3090 PWs) bands (ev):
-2.6154 -2.6154 3.4190 3.4190 3.8594 3.8594 5.1965 5.1965
5.7263 5.7263 5.7289 5.7289 5.9379 5.9379 6.1979 6.1979
6.7270 6.7270 10.7364 10.7364 10.8684 10.8684 11.0265 11.0265
11.1091 11.1091 11.3232 11.3232 11.3570 11.3570 11.9292 11.9292
12.2574 12.2574 13.0866 13.0866 13.1960 13.1960 13.4966 13.4966
k =-0.0375 0.0224 0.0000 ( 3090 PWs) bands (ev):
-2.6084 -2.6084 3.4257 3.4257 3.8662 3.8662 5.1317 5.1317
5.5403 5.5403 5.6327 5.6327 6.0157 6.0157 6.3042 6.3042
6.9278 6.9278 10.6641 10.6641 10.7845 10.7845 11.0376 11.0376
11.0889 11.0889 11.1684 11.1684 11.4533 11.4533 12.0045 12.0045
12.1714 12.1714 13.2279 13.2279 13.2581 13.2581 13.5273 13.5273
k =-0.0500 0.0299 0.0000 ( 3094 PWs) bands (ev):
-2.5985 -2.5985 3.4350 3.4350 3.8757 3.8757 5.0571 5.0571
5.3446 5.3446 5.5385 5.5385 6.1086 6.1086 6.4164 6.4164
7.1406 7.1406 10.5873 10.5873 10.6979 10.6979 11.0023 11.0023
11.0179 11.0179 11.0619 11.0619 11.5578 11.5578 12.0561 12.0561
12.1146 12.1146 13.2715 13.2715 13.4463 13.4463 13.5868 13.5868
k =-0.0625 0.0374 0.0000 ( 3078 PWs) bands (ev):
-2.5859 -2.5859 3.4471 3.4471 3.8878 3.8878 4.9777 4.9777
5.1472 5.1472 5.4455 5.4455 6.2115 6.2115 6.5325 6.5325
7.3601 7.3601 10.5088 10.5088 10.6115 10.6115 10.8331 10.8331
10.9579 10.9579 11.0286 11.0286 11.6673 11.6673 12.0816 12.0816
12.0977 12.0977 13.3259 13.3259 13.6444 13.6444 13.6756 13.6756
k =-0.0750 0.0448 0.0000 ( 3070 PWs) bands (ev):
-2.5705 -2.5705 3.4617 3.4617 3.9028 3.9028 4.8963 4.8963
4.9500 4.9500 5.3544 5.3544 6.3215 6.3215 6.6518 6.6518
7.5842 7.5842 10.4299 10.4299 10.5264 10.5264 10.6602 10.6602
10.8630 10.8630 10.9902 10.9902 11.7806 11.7806 12.0837 12.0837
12.1194 12.1194 13.3902 13.3902 13.7894 13.7894 13.8500 13.8500
k =-0.0875 0.0523 0.0000 ( 3070 PWs) bands (ev):
-2.5522 -2.5522 3.4790 3.4790 3.9204 3.9204 4.7539 4.7539
4.8147 4.8147 5.2654 5.2654 6.4370 6.4370 6.7739 6.7739
7.8120 7.8120 10.3513 10.3513 10.4432 10.4432 10.4859 10.4859
10.7412 10.7412 10.9476 10.9476 11.8970 11.8970 12.0669 12.0669
12.1721 12.1721 13.4633 13.4633 13.9224 13.9224 14.0605 14.0605
k =-0.1000 0.0598 0.0000 ( 3070 PWs) bands (ev):
-2.5312 -2.5312 3.4990 3.4990 3.9407 3.9407 4.5596 4.5596
4.7338 4.7338 5.1789 5.1789 6.5569 6.5569 6.8987 6.8987
8.0430 8.0430 10.2730 10.2730 10.3109 10.3109 10.3625 10.3625
10.6016 10.6016 10.9017 10.9017 12.0159 12.0159 12.0366 12.0366
12.2472 12.2472 13.5443 13.5443 14.0663 14.0663 14.2753 14.2753
k =-0.1125 0.0672 0.0000 ( 3068 PWs) bands (ev):
-2.5073 -2.5073 3.5215 3.5215 3.9637 3.9637 4.3673 4.3673
4.6542 4.6542 5.0947 5.0947 6.6808 6.6808 7.0261 7.0261
8.2768 8.2768 10.1351 10.1351 10.1968 10.1968 10.2839 10.2839
10.4513 10.4513 10.8532 10.8532 11.9954 11.9954 12.1386 12.1386
12.3381 12.3381 13.6325 13.6325 14.2130 14.2130 14.4436 14.4436
k =-0.1250 0.0747 0.0000 ( 3068 PWs) bands (ev):
-2.4807 -2.4807 3.5466 3.5466 3.9894 3.9894 4.1770 4.1770
4.5763 4.5763 5.0131 5.0131 6.8082 6.8082 7.1559 7.1559
8.5134 8.5134 9.9609 9.9609 10.1195 10.1195 10.2078 10.2078
10.2960 10.2960 10.8031 10.8031 11.9483 11.9483 12.2633 12.2633
12.4405 12.4405 13.7270 13.7270 14.3561 14.3561 14.6025 14.6025
k =-0.1375 0.0822 0.0000 ( 3072 PWs) bands (ev):
-2.4513 -2.4513 3.5743 3.5743 3.9891 3.9891 4.0178 4.0178
4.5005 4.5005 4.9341 4.9341 6.9388 6.9388 7.2881 7.2881
8.7526 8.7526 9.7875 9.7875 10.0379 10.0379 10.1322 10.1322
10.1453 10.1453 10.7517 10.7517 11.8969 11.8969 12.3904 12.3904
12.5515 12.5515 13.8272 13.8272 14.4932 14.4932 14.7774 14.7774
k =-0.1500 0.0897 0.0000 ( 3072 PWs) bands (ev):
-2.4190 -2.4190 3.6044 3.6044 3.8035 3.8035 4.0489 4.0489
4.4271 4.4271 4.8577 4.8577 7.0723 7.0723 7.4224 7.4224
8.9943 8.9943 9.6153 9.6153 9.9296 9.9296 10.0157 10.0157
10.0650 10.0650 10.6997 10.6997 11.8430 11.8430 12.5198 12.5198
12.6692 12.6692 13.9325 13.9325 14.6250 14.6250 14.9647 14.9647
k =-0.1625 0.0971 0.0000 ( 3076 PWs) bands (ev):
-2.3840 -2.3840 3.6203 3.6203 3.6369 3.6369 4.0828 4.0828
4.3561 4.3561 4.7838 4.7838 7.2088 7.2088 7.5589 7.5589
9.2383 9.2383 9.4445 9.4445 9.7809 9.7809 9.9313 9.9313
9.9974 9.9974 10.6476 10.6476 11.7878 11.7878 12.6515 12.6515
12.7926 12.7926 14.0424 14.0424 14.7531 14.7531 15.1603 15.1603
k =-0.1750 0.1046 0.0000 ( 3084 PWs) bands (ev):
-2.3462 -2.3462 3.4395 3.4395 3.6716 3.6716 4.1193 4.1193
4.2879 4.2879 4.7126 4.7126 7.3479 7.3479 7.6974 7.6974
9.2754 9.2754 9.4848 9.4848 9.6205 9.6205 9.8607 9.8607
9.9330 9.9330 10.5957 10.5957 11.7323 11.7323 12.7854 12.7854
12.9208 12.9208 14.1565 14.1565 14.8781 14.8781 15.3606 15.3606
k =-0.1875 0.1121 0.0000 ( 3086 PWs) bands (ev):
-2.3056 -2.3056 3.2612 3.2612 3.7082 3.7082 4.1585 4.1585
4.2228 4.2228 4.6440 4.6440 7.4896 7.4896 7.8376 7.8376
9.1081 9.1081 9.4580 9.4580 9.7331 9.7331 9.7955 9.7955
9.8721 9.8721 10.5443 10.5443 11.6770 11.6770 12.9213 12.9213
13.0532 13.0532 14.2744 14.2744 14.9996 14.9996 15.5627 15.5627
k =-0.2000 0.1195 0.0000 ( 3082 PWs) bands (ev):
-2.2623 -2.2623 3.0855 3.0855 3.7462 3.7462 4.1614 4.1614
4.2004 4.2004 4.5780 4.5780 7.6339 7.6339 7.9792 7.9792
8.9427 8.9427 9.2956 9.2956 9.7326 9.7326 9.8144 9.8144
9.9849 9.9849 10.4938 10.4938 11.6226 11.6226 13.0590 13.0590
13.1895 13.1895 14.3956 14.3956 15.1165 15.1165 15.7632 15.7632
k =-0.2125 0.1270 0.0000 ( 3086 PWs) bands (ev):
-2.2161 -2.2161 2.9122 2.9122 3.7844 3.7844 4.1049 4.1049
4.2450 4.2450 4.5147 4.5147 7.7805 7.7805 8.1219 8.1219
8.7793 8.7793 9.1341 9.1341 9.6730 9.6730 9.7611 9.7611
10.2379 10.2379 10.4445 10.4445 11.5693 11.5693 13.1984 13.1984
13.3293 13.3293 14.5200 14.5200 15.2263 15.2263 15.9581 15.9581
k =-0.2250 0.1345 0.0000 ( 3086 PWs) bands (ev):
-2.1672 -2.1672 2.7416 2.7416 3.8198 3.8198 4.0565 4.0565
4.2923 4.2923 4.4541 4.4541 7.9293 7.9293 8.2649 8.2649
8.6183 8.6183 8.9741 8.9741 9.6160 9.6160 9.7124 9.7124
10.3955 10.3955 10.4941 10.4941 11.5176 11.5176 13.3392 13.3392
13.4725 13.4725 14.6472 14.6472 15.3248 15.3248 16.1420 16.1420
k =-0.2375 0.1420 0.0000 ( 3088 PWs) bands (ev):
-2.1156 -2.1156 2.5735 2.5735 3.8444 3.8444 4.0240 4.0240
4.3423 4.3423 4.3961 4.3961 8.0799 8.0799 8.4072 8.4072
8.4601 8.4601 8.8157 8.8157 9.5616 9.5616 9.6692 9.6692
10.3490 10.3490 10.7513 10.7513 11.4677 11.4677 13.4809 13.4809
13.6189 13.6189 14.7768 14.7768 15.4059 15.4059 16.3077 16.3077
k =-0.2500 0.1494 0.0000 ( 3084 PWs) bands (ev):
-2.0611 -2.0611 2.4080 2.4080 3.8441 3.8441 4.0216 4.0216
4.3408 4.3408 4.3950 4.3950 8.2261 8.2261 8.3102 8.3102
8.5478 8.5478 8.6594 8.6594 9.5096 9.5096 9.6332 9.6332
10.3038 10.3038 11.0110 11.0110 11.4197 11.4197 13.6231 13.6231
13.7684 13.7684 14.9086 14.9086 15.4605 15.4605 16.4479 16.4479
k =-0.2625 0.1569 0.0000 ( 3076 PWs) bands (ev):
-2.0040 -2.0040 2.2452 2.2452 3.8181 3.8181 4.0501 4.0501
4.2882 4.2882 4.4503 4.4503 8.1436 8.1436 8.3937 8.3937
8.5046 8.5046 8.6836 8.6836 9.4602 9.4602 9.6071 9.6071
10.2602 10.2602 11.2727 11.2727 11.3740 11.3740 13.7650 13.7650
13.9208 13.9208 15.0424 15.0424 15.4783 15.4783 16.5610 16.5610
k =-0.2750 0.1644 0.0000 ( 3068 PWs) bands (ev):
-1.9441 -1.9441 2.0850 2.0850 3.7805 3.7805 4.0953 4.0953
4.2382 4.2382 4.5083 4.5083 7.9930 7.9930 8.3520 8.3520
8.5500 8.5500 8.8097 8.8097 9.4133 9.4133 9.5953 9.5953
10.2185 10.2185 11.3306 11.3306 11.5364 11.5364 13.9054 13.9054
14.0761 14.0761 15.1777 15.1777 15.4506 15.4506 16.6488 16.6488
k =-0.2875 0.1718 0.0000 ( 3056 PWs) bands (ev):
-1.8815 -1.8815 1.9275 1.9275 3.7398 3.7398 4.1488 4.1488
4.1910 4.1910 4.5690 4.5690 7.8436 7.8436 8.2018 8.2018
8.7089 8.7089 8.9193 8.9193 9.3688 9.3688 9.6050 9.6050
10.1786 10.1786 11.2897 11.2897 11.8020 11.8020 14.0423 14.0423
14.2341 14.2341 15.3142 15.3142 15.3761 15.3761 16.4338 16.4338
k =-0.3000 0.1793 0.0000 ( 3060 PWs) bands (ev):
-1.8162 -1.8162 1.7727 1.7727 3.6992 3.6992 4.1464 4.1464
4.2074 4.2074 4.6324 4.6324 7.6965 7.6965 8.0538 8.0538
8.8696 8.8696 9.0033 9.0033 9.3269 9.3269 9.6452 9.6452
10.1407 10.1407 11.2516 11.2516 12.0695 12.0695 14.1727 14.1727
14.3949 14.3949 15.2609 15.2609 15.4516 15.4516 16.2271 16.2271
k =-0.3125 0.1868 0.0000 ( 3060 PWs) bands (ev):
-1.7482 -1.7482 1.6206 1.6206 3.6599 3.6599 4.1045 4.1045
4.2698 4.2698 4.6984 4.6984 7.5519 7.5519 7.9081 7.9081
9.0316 9.0316 9.0566 9.0566 9.2875 9.2875 9.7214 9.7214
10.1048 10.1048 11.2164 11.2164 12.3387 12.3387 14.2911 14.2911
14.5584 14.5584 15.1149 15.1149 15.5894 15.5894 16.0364 16.0364
k =-0.3250 0.1943 0.0000 ( 3054 PWs) bands (ev):
-1.6776 -1.6776 1.4712 1.4712 3.6225 3.6225 4.0653 4.0653
4.3353 4.3353 4.7671 4.7671 7.4099 7.4099 7.7647 7.7647
9.0813 9.0813 9.1952 9.1952 9.2507 9.2507 9.8304 9.8304
10.0710 10.0710 11.1844 11.1844 12.6095 12.6095 14.3886 14.3886
14.7245 14.7245 14.9475 14.9475 15.7270 15.7270 15.8709 15.8709
k =-0.3375 0.2017 0.0000 ( 3062 PWs) bands (ev):
-1.6043 -1.6043 1.3246 1.3246 3.5873 3.5873 4.0288 4.0288
4.4037 4.4037 4.8384 4.8384 7.2707 7.2707 7.6237 7.6237
9.0872 9.0872 9.2162 9.2162 9.3592 9.3592 9.9632 9.9632
10.0395 10.0395 11.1559 11.1559 12.8818 12.8818 14.4504 14.4504
14.7658 14.7658 14.8932 14.8932 15.7446 15.7446 15.8643 15.8643
k =-0.3500 0.2092 0.0000 ( 3060 PWs) bands (ev):
-1.5285 -1.5285 1.1809 1.1809 3.5545 3.5545 3.9950 3.9950
4.4746 4.4746 4.9124 4.9124 7.1342 7.1342 7.4852 7.4852
9.0819 9.0819 9.1844 9.1844 9.5231 9.5231 10.0097 10.0097
10.1125 10.1125 11.1315 11.1315 13.1555 13.1555 14.4585 14.4585
14.5751 14.5751 15.0644 15.0644 15.6769 15.6769 15.9997 15.9997
k =-0.3625 0.2167 0.0000 ( 3064 PWs) bands (ev):
-1.4501 -1.4501 1.0400 1.0400 3.5241 3.5241 3.9639 3.9639
4.5479 4.5479 4.9890 4.9890 7.0007 7.0007 7.3491 7.3491
9.0707 9.0707 9.1551 9.1551 9.6862 9.6862 9.9826 9.9826
10.2720 10.2720 11.1118 11.1118 13.4303 13.4303 14.3784 14.3784
14.4033 14.4033 15.2380 15.2380 15.6774 15.6774 16.1327 16.1327
k =-0.3750 0.2241 0.0000 ( 3070 PWs) bands (ev):
-1.3692 -1.3692 0.9021 0.9021 3.4963 3.4963 3.9355 3.9355
4.6234 4.6234 5.0682 5.0682 6.8704 6.8704 7.2155 7.2155
9.0566 9.0566 9.1283 9.1283 9.8471 9.8471 9.9577 9.9577
10.4389 10.4389 11.0978 11.0978 13.7059 13.7059 14.1795 14.1795
14.2910 14.2910 15.4141 15.4141 15.7386 15.7386 16.2620 16.2620
k =-0.3875 0.2316 0.0000 ( 3070 PWs) bands (ev):
-1.2861 -1.2861 0.7673 0.7673 3.4710 3.4710 3.9097 3.9097
4.7008 4.7008 5.1499 5.1499 6.7433 6.7433 7.0845 7.0845
9.0417 9.0417 9.1041 9.1041 9.9349 9.9349 10.0040 10.0040
10.6113 10.6113 11.0912 11.0912 13.9793 13.9793 13.9822 13.9822
14.1403 14.1403 15.5925 15.5925 15.8430 15.8430 16.3861 16.3861
k =-0.4000 0.2391 0.0000 ( 3076 PWs) bands (ev):
-1.2007 -1.2007 0.6356 0.6356 3.4484 3.4484 3.8867 3.8867
4.7797 4.7797 5.2343 5.2343 6.6200 6.6200 6.9561 6.9561
9.0269 9.0269 9.0825 9.0825 9.9146 9.9146 10.1536 10.1536
10.7879 10.7879 11.0944 11.0944 13.7798 13.7798 13.9666 13.9666
14.2584 14.2584 15.7731 15.7731 15.9750 15.9750 16.5028 16.5028
k =-0.4125 0.2466 0.0000 ( 3082 PWs) bands (ev):
-1.1133 -1.1133 0.5075 0.5075 3.4283 3.4283 3.8664 3.8664
4.8599 4.8599 5.3211 5.3211 6.5007 6.5007 6.8303 6.8303
9.0130 9.0130 9.0633 9.0633 9.8966 9.8966 10.2917 10.2917
10.9677 10.9677 11.1112 11.1112 13.5826 13.5826 13.7801 13.7801
14.5341 14.5341 15.9557 15.9557 16.1246 16.1246 16.6092 16.6092
k =-0.4250 0.2540 0.0000 ( 3078 PWs) bands (ev):
-1.0243 -1.0243 0.3831 0.3831 3.4109 3.4109 3.8488 3.8488
4.9404 4.9404 5.4105 5.4105 6.3861 6.3861 6.7072 6.7072
9.0004 9.0004 9.0467 9.0467 9.8810 9.8810 10.4122 10.4122
11.1430 11.1430 11.1533 11.1533 13.3894 13.3894 13.5869 13.5869
14.8081 14.8081 16.1403 16.1403 16.2858 16.2858 16.7012 16.7012
k =-0.4375 0.2615 0.0000 ( 3076 PWs) bands (ev):
-0.9343 -0.9343 0.2632 0.2632 3.3962 3.3962 3.8339 3.8339
5.0204 5.0204 5.5021 5.5021 6.2774 6.2774 6.5870 6.5870
8.9894 8.9894 9.0327 9.0327 9.8678 9.8678 10.5090 10.5090
11.2037 11.2037 11.3343 11.3343 13.2024 13.2024 13.3909 13.3909
15.0790 15.0790 16.3263 16.3263 16.4548 16.4548 16.7728 16.7728
k =-0.4500 0.2690 0.0000 ( 3068 PWs) bands (ev):
-0.8443 -0.8443 0.1488 0.1488 3.3842 3.3842 3.8217 3.8217
5.0981 5.0981 5.5958 5.5958 6.1762 6.1762 6.4699 6.4699
8.9801 8.9801 9.0212 9.0212 9.8569 9.8569 10.5791 10.5791
11.2842 11.2842 11.5185 11.5185 13.0251 13.0251 13.1952 13.1952
15.3441 15.3441 16.5133 16.5133 16.6288 16.6288 16.8160 16.8160
k =-0.4625 0.2764 0.0000 ( 3066 PWs) bands (ev):
-0.7567 -0.7567 0.0422 0.0422 3.3748 3.3748 3.8123 3.8123
5.1705 5.1705 5.6910 5.6910 6.0856 6.0856 6.3565 6.3565
8.9729 8.9729 9.0123 9.0123 9.8485 9.8485 10.6250 10.6250
11.3795 11.3795 11.7009 11.7009 12.8627 12.8627 13.0032 13.0032
15.5990 15.5990 16.6994 16.6994 16.8017 16.8017 16.8238 16.8238
k =-0.4750 0.2839 0.0000 ( 3066 PWs) bands (ev):
-0.6761 -0.6761 -0.0520 -0.0520 3.3681 3.3681 3.8055 3.8055
5.2326 5.2326 5.7864 5.7864 6.0105 6.0105 6.2481 6.2481
8.9676 8.9676 9.0059 9.0059 9.8424 9.8424 10.6525 10.6525
11.4746 11.4746 11.8757 11.8757 12.7251 12.7251 12.8211 12.8211
15.8339 15.8339 16.7766 16.7766 16.8832 16.8832 16.9794 16.9794
k =-0.4875 0.2914 0.0000 ( 3070 PWs) bands (ev):
-0.6132 -0.6132 -0.1231 -0.1231 3.3641 3.3641 3.8014 3.8014
5.2764 5.2764 5.8760 5.8760 5.9588 5.9588 6.1507 6.1507
8.9644 8.9644 9.0021 9.0021 9.8388 9.8388 10.6667 10.6667
11.5482 11.5482 12.0258 12.0258 12.6280 12.6280 12.6664 12.6664
16.0249 16.0249 16.7026 16.7026 17.0483 17.0483 17.1348 17.1348
k =-0.5000 0.2989 0.0000 ( 3070 PWs) bands (ev):
-0.5877 -0.5877 -0.1513 -0.1513 3.3627 3.3627 3.8001 3.8001
5.2925 5.2925 5.9260 5.9260 5.9403 5.9403 6.0979 6.0979
8.9634 8.9634 9.0008 9.0008 9.8376 9.8376 10.6712 10.6712
11.5768 11.5768 12.0959 12.0959 12.5920 12.5920 12.5948 12.5948
16.1088 16.1088 16.6570 16.6570 17.1346 17.1346 17.2127 17.2127
k =-0.5000 0.2989 0.0000 ( 3070 PWs) bands (ev):
-0.5877 -0.5877 -0.1513 -0.1513 3.3627 3.3627 3.8001 3.8001
5.2925 5.2925 5.9260 5.9260 5.9403 5.9403 6.0979 6.0979
8.9634 8.9634 9.0008 9.0008 9.8376 9.8376 10.6712 10.6712
11.5768 11.5768 12.0959 12.0959 12.5920 12.5920 12.5948 12.5948
16.1088 16.1088 16.6570 16.6570 17.1346 17.1346 17.2127 17.2127
k =-0.4927 0.3111-0.0000 ( 3066 PWs) bands (ev):
-0.5864 -0.5864 -0.1500 -0.1500 3.3009 3.3009 3.8642 3.8642
5.2939 5.2939 5.9272 5.9272 5.9416 5.9416 6.0991 6.0991
8.9488 8.9488 8.9692 8.9692 9.8715 9.8715 10.6826 10.6826
11.5283 11.5283 12.1464 12.1464 12.4522 12.4522 12.7416 12.7416
16.1055 16.1055 16.6519 16.6519 17.1350 17.1350 17.2060 17.2060
k =-0.4854 0.3233-0.0000 ( 3066 PWs) bands (ev):
-0.5824 -0.5824 -0.1460 -0.1460 3.1690 3.1690 4.0031 4.0031
5.2979 5.2979 5.9311 5.9311 5.9455 5.9455 6.1029 6.1029
8.8842 8.8842 8.9085 8.9085 9.9614 9.9614 10.7146 10.7146
11.4162 11.4162 12.2644 12.2644 12.3204 12.3204 12.8951 12.8951
16.0954 16.0954 16.6367 16.6367 17.1361 17.1361 17.1859 17.1859
k =-0.4781 0.3355-0.0000 ( 3062 PWs) bands (ev):
-0.5757 -0.5757 -0.1394 -0.1394 3.0161 3.0161 4.1675 4.1675
5.3046 5.3046 5.9375 5.9375 5.9520 5.9520 6.1090 6.1090
8.7699 8.7699 8.8432 8.8432 10.0860 10.0860 10.7607 10.7607
11.2794 11.2794 12.2016 12.2016 12.4112 12.4112 13.0529 13.0529
16.0777 16.0777 16.6115 16.6115 17.1381 17.1381 17.1537 17.1537
k =-0.4708 0.3477-0.0000 ( 3058 PWs) bands (ev):
-0.5664 -0.5664 -0.1301 -0.1301 2.8571 2.8571 4.3426 4.3426
5.3141 5.3141 5.9465 5.9465 5.9611 5.9611 6.1177 6.1177
8.6392 8.6392 8.7595 8.7595 10.2307 10.2307 10.8113 10.8113
11.1335 11.1335 12.1017 12.1017 12.5708 12.5708 13.2141 13.2141
16.0510 16.0510 16.5767 16.5767 17.1087 17.1087 17.1422 17.1422
k =-0.4635 0.3600-0.0000 ( 3054 PWs) bands (ev):
-0.5544 -0.5544 -0.1181 -0.1181 2.6966 2.6966 4.5236 4.5236
5.3265 5.3265 5.9581 5.9581 5.9728 5.9728 6.1288 6.1288
8.5005 8.5005 8.6617 8.6617 10.3874 10.3874 10.8538 10.8538
10.9848 10.9848 12.0290 12.0290 12.7372 12.7372 13.3782 13.3782
16.0137 16.0137 16.5327 16.5327 17.0544 17.0544 17.0776 17.0776
k =-0.4562 0.3722-0.0000 ( 3054 PWs) bands (ev):
-0.5398 -0.5398 -0.1035 -0.1035 2.5364 2.5364 4.7082 4.7082
5.3421 5.3421 5.9722 5.9722 5.9872 5.9872 6.1424 6.1424
8.3578 8.3578 8.5535 8.5535 10.5518 10.5518 10.8336 10.8336
10.8767 10.8767 11.9936 11.9936 12.9079 12.9079 13.5446 13.5446
15.9645 15.9645 16.4803 16.4803 16.9910 16.9910 17.0010 17.0010
k =-0.4489 0.3844-0.0000 ( 3058 PWs) bands (ev):
-0.5225 -0.5225 -0.0863 -0.0863 2.3775 2.3775 4.8949 4.8949
5.3617 5.3617 5.9889 5.9889 6.0041 6.0041 6.1585 6.1585
8.2135 8.2135 8.4379 8.4379 10.6849 10.6849 10.7221 10.7221
10.8654 10.8654 12.0028 12.0028 13.0813 13.0813 13.7128 13.7128
15.9026 15.9026 16.4204 16.4204 16.9228 16.9228 16.9369 16.9369
k =-0.4416 0.3966-0.0000 ( 3058 PWs) bands (ev):
-0.5025 -0.5025 -0.0663 -0.0663 2.2203 2.2203 5.0809 5.0809
5.3875 5.3875 6.0082 6.0082 6.0236 6.0236 6.1771 6.1771
8.0689 8.0689 8.3173 8.3173 10.5375 10.5375 10.8210 10.8210
10.8956 10.8956 12.0569 12.0569 13.2565 13.2565 13.8824 13.8824
15.8281 15.8281 16.3540 16.3540 16.8489 16.8489 16.8884 16.8884
k =-0.4343 0.4088-0.0000 ( 3060 PWs) bands (ev):
-0.4799 -0.4799 -0.0438 -0.0438 2.0650 2.0650 5.2548 5.2548
5.4307 5.4307 6.0299 6.0299 6.0457 6.0457 6.1981 6.1981
7.9248 7.9248 8.1933 8.1933 10.3912 10.3912 10.7485 10.7485
11.0724 11.0724 12.1487 12.1487 13.4327 13.4327 14.0526 14.0526
15.7422 15.7422 16.2822 16.2822 16.7688 16.7688 16.7773 16.7773
k =-0.4270 0.4211-0.0000 ( 3054 PWs) bands (ev):
-0.4546 -0.4546 -0.0186 -0.0186 1.9118 1.9118 5.3691 5.3691
5.5388 5.5388 6.0542 6.0542 6.0704 6.0704 6.2215 6.2215
7.7818 7.7818 8.0673 8.0673 10.2467 10.2467 10.6561 10.6561
11.2516 11.2516 12.2686 12.2686 13.6089 13.6089 14.2229 14.2229
15.6469 15.6469 16.2059 16.2059 16.6546 16.6546 16.6923 16.6923
k =-0.4197 0.4333-0.0000 ( 3054 PWs) bands (ev):
-0.4267 -0.4267 0.0093 0.0093 1.7609 1.7609 5.4195 5.4195
5.7156 5.7156 6.0810 6.0810 6.0976 6.0976 6.2475 6.2475
7.6401 7.6401 7.9401 7.9401 10.1041 10.1041 10.5508 10.5508
11.4327 11.4327 12.4087 12.4087 13.7842 13.7842 14.3923 14.3923
15.5442 15.5442 16.1262 16.1262 16.5394 16.5394 16.6124 16.6124
k =-0.4124 0.4455-0.0000 ( 3058 PWs) bands (ev):
-0.3961 -0.3961 0.0398 0.0398 1.6122 1.6122 5.4559 5.4559
5.9112 5.9112 6.1103 6.1103 6.1275 6.1275 6.2759 6.2759
7.5002 7.5002 7.8125 7.8125 9.9636 9.9636 10.4377 10.4377
11.6150 11.6150 12.5633 12.5633 13.9570 13.9570 14.5593 14.5593
15.4362 15.4362 16.0439 16.0439 16.4298 16.4298 16.5348 16.5348
k =-0.4050 0.4577-0.0000 ( 3062 PWs) bands (ev):
-0.3629 -0.3629 0.0730 0.0730 1.4659 1.4659 5.4908 5.4908
6.1132 6.1132 6.1420 6.1420 6.1599 6.1599 6.3067 6.3067
7.3621 7.3621 7.6851 7.6851 9.8253 9.8253 10.3200 10.3200
11.7980 11.7980 12.7284 12.7284 14.1253 14.1253 14.7222 14.7222
15.3245 15.3245 15.9598 15.9598 16.3282 16.3282 16.4621 16.4621
k =-0.3977 0.4699-0.0000 ( 3056 PWs) bands (ev):
-0.3270 -0.3270 0.1088 0.1088 1.3219 1.3219 5.5266 5.5266
6.1761 6.1761 6.1949 6.1949 6.3188 6.3188 6.3400 6.3400
7.2262 7.2262 7.5583 7.5583 9.6892 9.6892 10.1999 10.1999
11.9814 11.9814 12.9015 12.9015 14.2862 14.2862 14.8777 14.8777
15.2104 15.2104 15.8747 15.8747 16.2377 16.2377 16.3978 16.3978
k =-0.3904 0.4822-0.0000 ( 3052 PWs) bands (ev):
-0.2885 -0.2885 0.1473 0.1473 1.1804 1.1804 5.5642 5.5642
6.2124 6.2124 6.2325 6.2325 6.3758 6.3758 6.5270 6.5270
7.0926 7.0926 7.4328 7.4328 9.5553 9.5553 10.0788 10.0788
12.1643 12.1643 13.0807 13.0807 14.4352 14.4352 15.0212 15.0212
15.0951 15.0951 15.7894 15.7894 16.1630 16.1630 16.3474 16.3474
k =-0.3831 0.4944-0.0000 ( 3052 PWs) bands (ev):
-0.2473 -0.2473 0.1884 0.1884 1.0413 1.0413 5.6038 5.6038
6.2507 6.2507 6.2726 6.2726 6.4140 6.4140 6.7368 6.7368
6.9616 6.9616 7.3091 7.3091 9.4238 9.4238 9.9577 9.9577
12.3460 12.3460 13.2644 13.2644 14.5662 14.5662 14.9789 14.9789
15.1462 15.1462 15.7045 15.7045 16.1104 16.1104 16.3183 16.3183
k =-0.3758 0.5066-0.0000 ( 3056 PWs) bands (ev):
-0.2035 -0.2035 0.2321 0.2321 0.9047 0.9047 5.6457 5.6457
6.2905 6.2905 6.3153 6.3153 6.4547 6.4547 6.8336 6.8336
6.9451 6.9451 7.1909 7.1909 9.2946 9.2946 9.8371 9.8371
12.5256 12.5256 13.4512 13.4512 14.6710 14.6710 14.8630 14.8630
15.2436 15.2436 15.6207 15.6207 16.0878 16.0878 16.3199 16.3199
k =-0.3685 0.5188-0.0000 ( 3048 PWs) bands (ev):
-0.1570 -0.1570 0.2785 0.2785 0.7705 0.7705 5.6899 5.6899
6.3304 6.3304 6.3605 6.3605 6.4977 6.4977 6.7106 6.7106
7.0422 7.0422 7.1870 7.1870 9.1678 9.1678 9.7179 9.7179
12.7018 12.7018 13.6398 13.6398 14.7416 14.7416 14.7477 14.7477
15.3065 15.3065 15.5384 15.5384 16.1034 16.1034 16.3604 16.3604
k =-0.3612 0.5310-0.0000 ( 3042 PWs) bands (ev):
-0.1079 -0.1079 0.3275 0.3275 0.6388 0.6388 5.7364 5.7364
6.3649 6.3649 6.4083 6.4083 6.5433 6.5433 6.5976 6.5976
6.9343 6.9343 7.3917 7.3917 9.0434 9.0434 9.6003 9.6003
12.8731 12.8731 13.8281 13.8281 14.6332 14.6332 14.7738 14.7738
15.3345 15.3345 15.4583 15.4583 16.1615 16.1615 16.4415 16.4415
k =-0.3539 0.5433-0.0000 ( 3038 PWs) bands (ev):
-0.0561 -0.0561 0.3792 0.3792 0.5097 0.5097 5.7852 5.7852
6.3668 6.3668 6.4585 6.4585 6.5221 6.5221 6.5912 6.5912
6.8179 6.8179 7.6081 7.6081 8.9213 8.9213 9.4851 9.4851
13.0374 13.0374 14.0136 14.0136 14.5200 14.5200 14.7696 14.7696
15.3359 15.3359 15.3804 15.3804 16.2599 16.2599 16.5575 16.5575
k =-0.3466 0.5555-0.0000 ( 3038 PWs) bands (ev):
-0.0018 -0.0018 0.3830 0.3830 0.4335 0.4335 5.8361 5.8361
6.2931 6.2931 6.5112 6.5112 6.5270 6.5270 6.6415 6.6415
6.7025 6.7025 7.8264 7.8264 8.8017 8.8017 9.3729 9.3729
13.1920 13.1920 14.1912 14.1912 14.4082 14.4082 14.7363 14.7363
15.3030 15.3030 15.3256 15.3256 16.3913 16.3913 16.6988 16.6988
k =-0.3393 0.5677-0.0000 ( 3036 PWs) bands (ev):
0.0553 0.0553 0.2589 0.2589 0.4904 0.4904 5.8891 5.8891
6.1869 6.1869 6.5658 6.5658 6.5697 6.5697 6.5892 6.5892
6.6944 6.6944 8.0445 8.0445 8.6846 8.6846 9.2650 9.2650
13.3337 13.3337 14.2959 14.2959 14.3553 14.3553 14.6822 14.6822
15.2271 15.2271 15.3172 15.3172 16.4930 16.4930 16.5473 16.5473
k =-0.3393 0.5677-0.0000 ( 3036 PWs) bands (ev):
0.0553 0.0553 0.2589 0.2589 0.4904 0.4904 5.8891 5.8891
6.1869 6.1869 6.5658 6.5658 6.5697 6.5697 6.5892 6.5892
6.6944 6.6944 8.0445 8.0445 8.6846 8.6846 9.2650 9.2650
13.3337 13.3337 14.2959 14.2959 14.3553 14.3553 14.6822 14.6822
15.2271 15.2271 15.3172 15.3172 16.4930 16.4930 16.5473 16.5473
k =-0.3393 0.5677 0.0148 ( 3039 PWs) bands (ev):
0.0567 0.0567 0.2603 0.2603 0.4918 0.4918 5.8437 5.8437
6.1203 6.1203 6.4388 6.4388 6.6105 6.6105 6.6642 6.6642
6.8246 6.8246 8.0459 8.0459 8.6860 8.6860 9.2663 9.2663
13.3164 13.3164 14.2386 14.2386 14.3495 14.3495 14.7404 14.7404
15.1887 15.1887 15.3785 15.3785 16.4924 16.4925 16.5515 16.5515
k =-0.3393 0.5677 0.0297 ( 3039 PWs) bands (ev):
0.0610 0.0610 0.2646 0.2646 0.4961 0.4961 5.7333 5.7333
5.9821 5.9821 6.2658 6.2658 6.7259 6.7259 6.8116 6.8116
7.0049 7.0049 8.0501 8.0501 8.6901 8.6901 9.2701 9.2701
13.2669 13.2669 14.1157 14.1157 14.3295 14.3295 14.8638 14.8638
15.1555 15.1555 15.4827 15.4827 16.4913 16.4913 16.5637 16.5637
k =-0.3393 0.5677 0.0445 ( 3043 PWs) bands (ev):
0.0682 0.0682 0.2718 0.2718 0.5033 0.5033 5.5929 5.5929
5.8241 5.8241 6.0919 6.0919 6.8777 6.8777 6.9815 6.9815
7.1910 7.1910 8.0570 8.0570 8.6970 8.6970 9.2765 9.2765
13.1916 13.1916 13.9729 13.9729 14.2867 14.2867 15.0063 15.0063
15.1604 15.1604 15.5986 15.5986 16.4907 16.4907 16.5829 16.5829
k =-0.3393 0.5677 0.0593 ( 3041 PWs) bands (ev):
0.0783 0.0783 0.2819 0.2819 0.5134 0.5134 5.4401 5.4401
5.6608 5.6608 5.9195 5.9195 7.0470 7.0470 7.1608 7.1608
7.3804 7.3804 8.0669 8.0669 8.7066 8.7066 9.2854 9.2854
13.0976 13.0976 13.8239 13.8239 14.2181 14.2181 15.1538 15.1538
15.2051 15.2051 15.7198 15.7198 16.4913 16.4913 16.6090 16.6090
k =-0.3393 0.5677 0.0741 ( 3036 PWs) bands (ev):
0.0912 0.0912 0.2948 0.2948 0.5263 0.5263 5.2823 5.2823
5.4964 5.4964 5.7493 5.7493 7.2261 7.2261 7.3453 7.3453
7.5725 7.5725 8.0797 8.0797 8.7191 8.7191 9.2968 9.2968
12.9908 12.9908 13.6731 13.6731 14.1282 14.1282 15.2790 15.2790
15.3036 15.3036 15.8432 15.8432 16.4930 16.4930 16.6422 16.6422
k =-0.3393 0.5677 0.0890 ( 3039 PWs) bands (ev):
0.1070 0.1070 0.3106 0.3106 0.5421 0.5421 5.1230 5.1230
5.3328 5.3328 5.5815 5.5815 7.4113 7.4113 7.5333 7.5333
7.7669 7.7669 8.0957 8.0957 8.7343 8.7343 9.3108 9.3108
12.8757 12.8757 13.5221 13.5221 14.0238 14.0238 15.3768 15.3768
15.4475 15.4475 15.9666 15.9666 16.4959 16.4959 16.6831 16.6831
k =-0.3393 0.5677 0.1038 ( 3043 PWs) bands (ev):
0.1257 0.1257 0.3292 0.3292 0.5607 0.5607 4.9636 4.9636
5.1705 5.1705 5.4161 5.4161 7.6004 7.6004 7.7239 7.7239
7.9635 7.9635 8.1155 8.1155 8.7525 8.7525 9.3273 9.3273
12.7554 12.7554 13.3720 13.3720 13.9103 13.9103 15.4867 15.4867
15.5867 15.5867 16.0883 16.0883 16.4997 16.4997 16.7186 16.7186
k =-0.3393 0.5677 0.1186 ( 3047 PWs) bands (ev):
0.1472 0.1472 0.3508 0.3508 0.5823 0.5823 4.8052 4.8052
5.0101 5.0101 5.2533 5.2533 7.7911 7.7911 7.9159 7.9159
8.1410 8.1410 8.1620 8.1620 8.7737 8.7737 9.3462 9.3462
12.6324 12.6324 13.2233 13.2233 13.7915 13.7915 15.6028 15.6028
15.7184 15.7184 16.2070 16.2070 16.5040 16.5040 16.7461 16.7461
k =-0.3393 0.5677 0.1335 ( 3052 PWs) bands (ev):
0.1717 0.1717 0.3752 0.3752 0.6067 0.6067 4.6483 4.6483
4.8517 4.8517 5.0930 5.0930 7.9766 7.9766 8.1047 8.1047
8.1826 8.1826 8.3619 8.3619 8.7984 8.7984 9.3677 9.3677
12.5082 12.5082 13.0763 13.0763 13.6699 13.6699 15.7207 15.7207
15.8407 15.8407 16.3206 16.3206 16.5086 16.5086 16.7771 16.7771
k =-0.3393 0.5677 0.1483 ( 3050 PWs) bands (ev):
0.1989 0.1989 0.4024 0.4024 0.6340 0.6340 4.4932 4.4932
4.6956 4.6956 4.9352 4.9352 8.1180 8.1180 8.2501 8.2501
8.3185 8.3185 8.5615 8.5615 8.8282 8.8282 9.3916 9.3916
12.3842 12.3842 12.9314 12.9314 13.5471 13.5471 15.8365 15.8365
15.9523 15.9523 16.4266 16.4266 16.5129 16.5129 16.8135 16.8135
k =-0.3393 0.5677 0.1631 ( 3052 PWs) bands (ev):
0.2291 0.2291 0.4325 0.4325 0.6641 0.6641 4.3402 4.3402
4.5418 4.5418 4.7801 4.7801 8.1784 8.1784 8.4251 8.4251
8.5117 8.5117 8.7502 8.7502 8.8735 8.8735 9.4181 9.4181
12.2615 12.2615 12.7888 12.7888 13.4243 13.4243 15.9475 15.9475
16.0528 16.0528 16.5135 16.5135 16.5234 16.5234 16.8589 16.8589
k =-0.3393 0.5677 0.1779 ( 3059 PWs) bands (ev):
0.2621 0.2621 0.4655 0.4655 0.6971 0.6971 4.1893 4.1893
4.3905 4.3905 4.6276 4.6276 8.2171 8.2171 8.6229 8.6229
8.7088 8.7088 8.8571 8.8571 9.0054 9.0054 9.4472 9.4472
12.1410 12.1410 12.6487 12.6487 13.3023 13.3023 16.0519 16.0519
16.1425 16.1425 16.5176 16.5176 16.5969 16.5969 16.9182 16.9182
k =-0.3393 0.5677 0.1928 ( 3063 PWs) bands (ev):
0.2980 0.2980 0.5013 0.5013 0.7330 0.7330 4.0408 4.0408
4.2416 4.2416 4.4777 4.4777 8.2535 8.2535 8.8263 8.8263
8.9022 8.9022 8.9067 8.9067 9.2031 9.2031 9.4791 9.4791
12.0238 12.0238 12.5113 12.5113 13.1819 13.1819 16.1484 16.1484
16.2225 16.2225 16.5173 16.5173 16.6498 16.6498 16.9939 16.9939
k =-0.3393 0.5677 0.2076 ( 3063 PWs) bands (ev):
0.3368 0.3368 0.5400 0.5400 0.7717 0.7717 3.8947 3.8947
4.0952 4.0952 4.3305 4.3305 8.2907 8.2907 8.9418 8.9418
9.0315 9.0315 9.1038 9.1038 9.4104 9.4104 9.5146 9.5146
11.9108 11.9108 12.3769 12.3769 13.0637 13.0637 16.2372 16.2372
16.2938 16.2938 16.5144 16.5144 16.6811 16.6811 17.0817 17.0817
k =-0.3393 0.5677 0.2224 ( 3057 PWs) bands (ev):
0.3784 0.3784 0.5816 0.5816 0.8133 0.8133 3.7510 3.7510
3.9514 3.9514 4.1859 4.1859 8.3298 8.3298 8.9825 8.9825
9.2335 9.2335 9.3000 9.3000 9.5559 9.5559 9.6208 9.6208
11.8035 11.8035 12.2459 12.2459 12.9485 12.9485 16.3185 16.3185
16.3559 16.3559 16.5095 16.5095 16.6940 16.6940 17.1729 17.1729
k =-0.3393 0.5677 0.2373 ( 3055 PWs) bands (ev):
0.4228 0.4228 0.6260 0.6260 0.8577 0.8577 3.6099 3.6099
3.8102 3.8102 4.0440 4.0440 8.3710 8.3710 9.0253 9.0253
9.4189 9.4189 9.4960 9.4960 9.6136 9.6136 9.8320 9.8320
11.7036 11.7036 12.1189 12.1189 12.8369 12.8369 16.3928 16.3928
16.4025 16.4025 16.5093 16.5093 16.6906 16.6906 17.2595 17.2595
k =-0.3393 0.5677 0.2521 ( 3055 PWs) bands (ev):
0.4701 0.4701 0.6732 0.6732 0.9050 0.9050 3.4713 3.4713
3.6715 3.6715 3.9047 3.9047 8.4145 8.4145 9.0703 9.0703
9.5466 9.5466 9.6926 9.6926 9.7243 9.7243 10.0432 10.0432
11.6136 11.6136 11.9968 11.9968 12.7299 12.7299 16.4126 16.4126
16.4618 16.4618 16.5325 16.5325 16.6713 16.6713 17.3305 17.3305
k =-0.3393 0.5677 0.2669 ( 3057 PWs) bands (ev):
0.5203 0.5203 0.7233 0.7233 0.9552 0.9552 3.3353 3.3353
3.5355 3.5355 3.7682 3.7682 8.4603 8.4603 9.1179 9.1179
9.6123 9.6123 9.8663 9.8663 9.9112 9.9112 10.2527 10.2527
11.5369 11.5369 11.8811 11.8811 12.6288 12.6288 16.3864 16.3864
16.5223 16.5223 16.5786 16.5786 16.6364 16.6364 17.3058 17.3058
k =-0.3393 0.5677 0.2817 ( 3061 PWs) bands (ev):
0.5733 0.5733 0.7762 0.7762 1.0082 1.0082 3.2020 3.2020
3.4022 3.4022 3.6343 3.6343 8.5084 8.5084 9.1680 9.1680
9.6585 9.6585 10.0236 10.0236 10.1181 10.1181 10.4572 10.4572
11.4788 11.4788 11.7747 11.7747 12.5353 12.5353 16.3371 16.3371
16.5448 16.5448 16.6108 16.6108 16.6343 16.6343 17.2319 17.2319
k =-0.3393 0.5677 0.2966 ( 3061 PWs) bands (ev):
0.6291 0.6291 0.8319 0.8319 1.0640 1.0640 3.0712 3.0712
3.2715 3.2715 3.5032 3.5032 8.5589 8.5589 9.2207 9.2207
9.6985 9.6985 10.1622 10.1622 10.3245 10.3245 10.6505 10.6505
11.4461 11.4461 11.6841 11.6841 12.4523 12.4523 16.2677 16.2677
16.4740 16.4740 16.6482 16.6482 16.6903 16.6903 17.1189 17.1189
k =-0.3393 0.5677 0.3114 ( 3056 PWs) bands (ev):
0.6878 0.6878 0.8905 0.8905 1.1227 1.1227 2.9432 2.9432
3.1435 3.1435 3.3748 3.3748 8.6117 8.6117 9.2761 9.2761
9.7341 9.7341 10.2728 10.2728 10.5252 10.5252 10.8184 10.8184
11.4471 11.4471 11.6234 11.6234 12.3838 12.3838 16.1778 16.1778
16.3647 16.3647 16.6755 16.6755 16.7480 16.7480 16.9889 16.9889
k =-0.3393 0.5677 0.3262 ( 3052 PWs) bands (ev):
0.7493 0.7493 0.9519 0.9519 1.1843 1.1843 2.8178 2.8178
3.0182 3.0182 3.2490 3.2490 8.6668 8.6668 9.3340 9.3340
9.7648 9.7648 10.3500 10.3500 10.7139 10.7139 10.9324 10.9324
11.4876 11.4876 11.6207 11.6207 12.3360 12.3360 16.0664 16.0664
16.2277 16.2277 16.6283 16.6283 16.8067 16.8067 16.9067 16.9067
k =-0.3393 0.5677 0.3411 ( 3058 PWs) bands (ev):
0.8136 0.8136 1.0160 1.0160 1.2486 1.2486 2.6952 2.6952
2.8956 2.8956 3.1260 3.1260 8.7241 8.7241 9.3946 9.3946
9.7883 9.7883 10.3962 10.3962 10.8803 10.8803 10.9660 10.9660
11.5684 11.5684 11.7031 11.7031 12.3176 12.3176 15.9337 15.9337
16.0663 16.0663 16.4721 16.4721 16.8663 16.8663 16.9149 16.9149
k =-0.3393 0.5677 0.3559 ( 3054 PWs) bands (ev):
0.8807 0.8807 1.0830 1.0830 1.3158 1.3158 2.5753 2.5753
2.7757 2.7757 3.0058 3.0058 8.7836 8.7836 9.4577 9.4577
9.8018 9.8018 10.4211 10.4211 10.9304 10.9304 11.0128 11.0128
11.6862 11.6862 11.8568 11.8568 12.3383 12.3383 15.7808 15.7808
15.8845 15.8845 16.2684 16.2684 16.9268 16.9268 16.9587 16.9587
k =-0.3393 0.5677 0.3707 ( 3052 PWs) bands (ev):
0.9506 0.9506 1.1527 1.1527 1.3859 1.3859 2.4582 2.4582
2.6586 2.6586 2.8883 2.8883 8.8452 8.8452 9.5234 9.5234
9.8023 9.8023 10.4372 10.4372 10.8619 10.8619 11.0951 11.0951
11.8367 11.8367 12.0494 12.0494 12.4043 12.4043 15.6097 15.6097
15.6870 15.6870 16.0475 16.0475 16.9880 16.9880 17.0124 17.0124
k =-0.3393 0.5677 0.3855 ( 3056 PWs) bands (ev):
1.0233 1.0233 1.2251 1.2251 1.4587 1.4587 2.3440 2.3440
2.5442 2.5442 2.7735 2.7735 8.9088 8.9088 9.5917 9.5917
9.7878 9.7878 10.4550 10.4550 10.7779 10.7779 11.1285 11.1285
12.0139 12.0139 12.2610 12.2610 12.5132 12.5132 15.4231 15.4231
15.4786 15.4786 15.8191 15.8191 17.0500 17.0500 17.0699 17.0699
k =-0.3393 0.5677 0.4004 ( 3050 PWs) bands (ev):
1.0988 1.0988 1.3002 1.3002 1.5344 1.5344 2.2326 2.2326
2.4327 2.4327 2.6615 2.6615 8.9742 8.9742 9.6624 9.6624
9.7583 9.7583 10.4802 10.4802 10.6874 10.6874 11.1227 11.1227
12.2098 12.2098 12.4827 12.4827 12.6550 12.6550 15.2237 15.2237
15.2640 15.2640 15.5877 15.5877 17.1125 17.1125 17.1293 17.1293
k =-0.3393 0.5677 0.4152 ( 3040 PWs) bands (ev):
1.1770 1.1770 1.3778 1.3778 1.6129 1.6129 2.1243 2.1243
2.3240 2.3240 2.5523 2.5523 9.0414 9.0414 9.7131 9.7131
9.7380 9.7380 10.5147 10.5147 10.5947 10.5947 11.0906 11.0906
12.4166 12.4166 12.7102 12.7102 12.8174 12.8174 15.0140 15.0140
15.0483 15.0483 15.3567 15.3567 17.1755 17.1755 17.1897 17.1897
k =-0.3393 0.5677 0.4300 ( 3039 PWs) bands (ev):
1.2578 1.2578 1.4576 1.4576 1.6943 1.6943 2.0193 2.0193
2.2182 2.2182 2.4458 2.4458 9.1102 9.1102 9.6611 9.6611
9.8125 9.8125 10.5008 10.5008 10.5588 10.5588 11.0422 11.0422
12.6279 12.6279 12.9413 12.9413 12.9883 12.9883 14.7963 14.7963
14.8379 14.8379 15.1294 15.1294 17.2387 17.2387 17.2507 17.2507
k =-0.3393 0.5677 0.4449 ( 3043 PWs) bands (ev):
1.3411 1.3411 1.5386 1.5386 1.7784 1.7784 1.9187 1.9187
2.1155 2.1155 2.3421 2.3421 9.1802 9.1802 9.6003 9.6003
9.8907 9.8907 10.4085 10.4085 10.6096 10.6096 10.9844 10.9844
12.8374 12.8374 13.1531 13.1531 13.1748 13.1748 14.5725 14.5725
14.6434 14.6434 14.9101 14.9101 17.3016 17.3016 17.3119 17.3119
k =-0.3393 0.5677 0.4597 ( 3043 PWs) bands (ev):
1.4267 1.4267 1.6170 1.6170 1.8263 1.8263 1.8654 1.8654
2.0161 2.0161 2.2412 2.2412 9.2512 9.2512 9.5344 9.5344
9.9715 9.9715 10.3172 10.3172 10.6663 10.6663 10.9214 10.9214
13.0368 13.0368 13.2903 13.2903 13.4093 13.4093 14.3442 14.3442
14.4843 14.4843 14.7062 14.7062 17.3641 17.3641 17.3731 17.3731
k =-0.3393 0.5677 0.4745 ( 3045 PWs) bands (ev):
1.5138 1.5138 1.6587 1.6587 1.7761 1.7761 1.9207 1.9207
1.9551 1.9551 2.1430 2.1430 9.3228 9.3228 9.4653 9.4653
10.0547 10.0547 10.2277 10.2277 10.7273 10.7273 10.8563 10.8563
13.2115 13.2115 13.3623 13.3623 13.6444 13.6444 14.1127 14.1127
14.3966 14.3966 14.5320 14.5320 17.4255 17.4255 17.4339 17.4339
k =-0.3393 0.5677 0.4893 ( 3048 PWs) bands (ev):
1.5994 1.5994 1.5994 1.5994 1.8325 1.8325 1.8325 1.8325
2.0477 2.0477 2.0477 2.0477 9.3944 9.3944 9.3944 9.3944
10.1401 10.1401 10.1401 10.1401 10.7911 10.7911 10.7911 10.7911
13.3330 13.3330 13.3330 13.3330 13.8792 13.8792 13.8792 13.8792
14.4157 14.4157 14.4157 14.4157 17.4850 17.4850 17.4850 17.4850
k =-0.3393 0.5677 0.4893 ( 3048 PWs) bands (ev):
1.5994 1.5994 1.5994 1.5994 1.8325 1.8325 1.8325 1.8325
2.0477 2.0477 2.0477 2.0477 9.3944 9.3944 9.3944 9.3944
10.1401 10.1401 10.1401 10.1401 10.7911 10.7911 10.7911 10.7911
13.3330 13.3330 13.3330 13.3330 13.8792 13.8792 13.8792 13.8792
14.4157 14.4157 14.4157 14.4157 17.4850 17.4850 17.4850 17.4850
k =-0.3466 0.5555 0.4893 ( 3048 PWs) bands (ev):
1.5498 1.5498 1.5498 1.5498 1.9486 1.9486 1.9486 1.9486
1.9913 1.9913 1.9913 1.9913 9.2002 9.2002 9.2002 9.2002
10.2551 10.2551 10.2551 10.2551 10.8796 10.8796 10.8796 10.8796
13.3388 13.3388 13.3388 13.3388 13.8470 13.8470 13.8470 13.8470
14.4550 14.4550 14.4550 14.4550 17.3474 17.3474 17.3474 17.3474
k =-0.3539 0.5433 0.4893 ( 3048 PWs) bands (ev):
1.4986 1.4986 1.4986 1.4986 1.9375 1.9375 1.9375 1.9375
2.0714 2.0714 2.0714 2.0714 9.0000 9.0000 9.0000 9.0000
10.3723 10.3723 10.3723 10.3723 10.9763 10.9763 10.9763 10.9763
13.3390 13.3390 13.3390 13.3390 13.8144 13.8144 13.8144 13.8144
14.5029 14.5029 14.5029 14.5029 17.1829 17.1829 17.1829 17.1829
k =-0.3612 0.5310 0.4893 ( 3052 PWs) bands (ev):
1.4487 1.4487 1.4487 1.4487 1.8863 1.8863 1.8863 1.8863
2.1979 2.1979 2.1979 2.1979 8.7968 8.7968 8.7968 8.7968
10.4917 10.4917 10.4917 10.4917 11.0786 11.0786 11.0786 11.0786
13.3346 13.3346 13.3346 13.3346 13.7818 13.7818 13.7818 13.7818
14.5576 14.5576 14.5576 14.5576 17.0062 17.0062 17.0062 17.0062
k =-0.3685 0.5188 0.4893 ( 3054 PWs) bands (ev):
1.4009 1.4009 1.4009 1.4009 1.8377 1.8377 1.8377 1.8377
2.3274 2.3274 2.3274 2.3274 8.5921 8.5921 8.5921 8.5921
10.6131 10.6131 10.6131 10.6131 11.1849 11.1849 11.1849 11.1849
13.3266 13.3266 13.3266 13.3266 13.7495 13.7495 13.7495 13.7495
14.6175 14.6175 14.6175 14.6175 16.8232 16.8232 16.8232 16.8232
k =-0.3758 0.5066 0.4893 ( 3054 PWs) bands (ev):
1.3555 1.3555 1.3555 1.3555 1.7917 1.7917 1.7917 1.7917
2.4597 2.4597 2.4597 2.4597 8.3870 8.3870 8.3870 8.3870
10.7366 10.7366 10.7366 10.7366 11.2939 11.2939 11.2939 11.2939
13.3163 13.3163 13.3163 13.3163 13.7177 13.7177 13.7177 13.7177
14.6803 14.6803 14.6803 14.6803 16.6371 16.6371 16.6371 16.6371
k =-0.3831 0.4944 0.4893 ( 3058 PWs) bands (ev):
1.3125 1.3125 1.3125 1.3125 1.7483 1.7483 1.7483 1.7483
2.5946 2.5946 2.5946 2.5946 8.1822 8.1822 8.1822 8.1822
10.8620 10.8620 10.8620 10.8620 11.4050 11.4050 11.4050 11.4050
13.3046 13.3046 13.3046 13.3046 13.6867 13.6867 13.6867 13.6867
14.7437 14.7437 14.7437 14.7437 16.4497 16.4497 16.4497 16.4497
k =-0.3904 0.4822 0.4893 ( 3064 PWs) bands (ev):
1.2720 1.2720 1.2720 1.2720 1.7076 1.7076 1.7076 1.7076
2.7321 2.7321 2.7321 2.7321 7.9782 7.9782 7.9782 7.9782
10.9892 10.9892 10.9892 10.9892 11.5175 11.5175 11.5175 11.5175
13.2927 13.2927 13.2927 13.2927 13.6566 13.6566 13.6566 13.6566
14.8050 14.8050 14.8050 14.8050 16.2625 16.2625 16.2625 16.2625
k =-0.3977 0.4699 0.4893 ( 3064 PWs) bands (ev):
1.2340 1.2340 1.2340 1.2340 1.6695 1.6695 1.6695 1.6695
2.8720 2.8720 2.8720 2.8720 7.7753 7.7753 7.7753 7.7753
11.1182 11.1182 11.1182 11.1182 11.6308 11.6308 11.6308 11.6308
13.2814 13.2814 13.2814 13.2814 13.6274 13.6274 13.6274 13.6274
14.8613 14.8613 14.8613 14.8613 16.0764 16.0764 16.0764 16.0764
k =-0.4050 0.4577 0.4893 ( 3064 PWs) bands (ev):
1.1987 1.1987 1.1987 1.1987 1.6340 1.6340 1.6340 1.6340
3.0143 3.0143 3.0143 3.0143 7.5738 7.5738 7.5738 7.5738
11.2487 11.2487 11.2487 11.2487 11.7441 11.7441 11.7441 11.7441
13.2716 13.2716 13.2716 13.2716 13.5994 13.5994 13.5994 13.5994
14.9087 14.9087 14.9087 14.9087 15.8920 15.8920 15.8920 15.8920
k =-0.4124 0.4455 0.4893 ( 3060 PWs) bands (ev):
1.1659 1.1659 1.1659 1.1659 1.6011 1.6011 1.6011 1.6011
3.1590 3.1590 3.1590 3.1590 7.3738 7.3738 7.3738 7.3738
11.3806 11.3806 11.3806 11.3806 11.8566 11.8566 11.8566 11.8566
13.2642 13.2642 13.2642 13.2642 13.5724 13.5724 13.5724 13.5724
14.9432 14.9432 14.9432 14.9432 15.7101 15.7101 15.7101 15.7101
k =-0.4197 0.4333 0.4893 ( 3064 PWs) bands (ev):
1.1357 1.1357 1.1357 1.1357 1.5708 1.5708 1.5708 1.5708
3.3061 3.3061 3.3061 3.3061 7.1757 7.1757 7.1757 7.1757
11.5137 11.5137 11.5137 11.5137 11.9673 11.9673 11.9673 11.9673
13.2602 13.2602 13.2602 13.2602 13.5463 13.5463 13.5463 13.5463
14.9605 14.9605 14.9605 14.9605 15.5314 15.5314 15.5314 15.5314
k =-0.4270 0.4211 0.4893 ( 3068 PWs) bands (ev):
1.1082 1.1082 1.1082 1.1082 1.5432 1.5432 1.5432 1.5432
3.4555 3.4555 3.4555 3.4555 6.9794 6.9794 6.9794 6.9794
11.6475 11.6475 11.6475 11.6475 12.0752 12.0752 12.0752 12.0752
13.2607 13.2607 13.2607 13.2607 13.5212 13.5212 13.5212 13.5212
14.9573 14.9573 14.9573 14.9573 15.3566 15.3566 15.3566 15.3566
k =-0.4343 0.4088 0.4893 ( 3064 PWs) bands (ev):
1.0832 1.0832 1.0832 1.0832 1.5182 1.5182 1.5182 1.5182
3.6070 3.6070 3.6070 3.6070 6.7852 6.7852 6.7852 6.7852
11.7818 11.7818 11.7818 11.7818 12.1785 12.1785 12.1785 12.1785
13.2669 13.2669 13.2669 13.2669 13.4967 13.4967 13.4967 13.4967
14.9319 14.9319 14.9319 14.9319 15.1865 15.1865 15.1865 15.1865
k =-0.4416 0.3966 0.4893 ( 3060 PWs) bands (ev):
1.0609 1.0609 1.0609 1.0609 1.4958 1.4958 1.4958 1.4958
3.7607 3.7607 3.7607 3.7607 6.5933 6.5933 6.5933 6.5933
11.9159 11.9159 11.9159 11.9159 12.2756 12.2756 12.2756 12.2756
13.2802 13.2802 13.2802 13.2802 13.4725 13.4725 13.4725 13.4725
14.8849 14.8849 14.8849 14.8849 15.0223 15.0223 15.0223 15.0223
k =-0.4489 0.3844 0.4893 ( 3052 PWs) bands (ev):
1.0412 1.0412 1.0412 1.0412 1.4761 1.4761 1.4761 1.4761
3.9163 3.9163 3.9163 3.9163 6.4039 6.4039 6.4039 6.4039
12.0490 12.0490 12.0490 12.0490 12.3643 12.3643 12.3643 12.3643
13.3020 13.3020 13.3020 13.3020 13.4481 13.4481 13.4481 13.4481
14.8192 14.8192 14.8192 14.8192 14.8657 14.8657 14.8657 14.8657
k =-0.4562 0.3722 0.4893 ( 3054 PWs) bands (ev):
1.0241 1.0241 1.0241 1.0241 1.4590 1.4590 1.4590 1.4590
4.0736 4.0736 4.0736 4.0736 6.2171 6.2171 6.2171 6.2171
12.1799 12.1799 12.1799 12.1799 12.4423 12.4423 12.4423 12.4423
13.3335 13.3335 13.3335 13.3335 13.4229 13.4229 13.4229 13.4229
14.7159 14.7159 14.7159 14.7159 14.7424 14.7424 14.7424 14.7424
k =-0.4635 0.3600 0.4893 ( 3050 PWs) bands (ev):
1.0096 1.0096 1.0096 1.0096 1.4445 1.4445 1.4445 1.4445
4.2322 4.2322 4.2322 4.2322 6.0336 6.0336 6.0336 6.0336
12.3069 12.3069 12.3069 12.3069 12.5081 12.5081 12.5081 12.5081
13.3748 13.3748 13.3748 13.3748 13.3962 13.3962 13.3962 13.3962
14.5807 14.5807 14.5807 14.5807 14.6544 14.6544 14.6544 14.6544
k =-0.4708 0.3477 0.4893 ( 3046 PWs) bands (ev):
0.9978 0.9978 0.9978 0.9978 1.4326 1.4326 1.4326 1.4326
4.3912 4.3912 4.3912 4.3912 5.8541 5.8541 5.8541 5.8541
12.4273 12.4273 12.4273 12.4273 12.5608 12.5608 12.5608 12.5608
13.3669 13.3669 13.3669 13.3669 13.4246 13.4246 13.4246 13.4246
14.4599 14.4599 14.4599 14.4599 14.5644 14.5644 14.5644 14.5644
k =-0.4781 0.3355 0.4893 ( 3042 PWs) bands (ev):
0.9886 0.9886 0.9886 0.9886 1.4234 1.4234 1.4234 1.4234
4.5491 4.5491 4.5491 4.5491 5.6803 5.6803 5.6803 5.6803
12.5364 12.5364 12.5364 12.5364 12.6009 12.6009 12.6009 12.6009
13.3354 13.3354 13.3354 13.3354 13.4786 13.4786 13.4786 13.4786
14.3585 14.3585 14.3585 14.3585 14.4784 14.4784 14.4784 14.4784
k =-0.4854 0.3233 0.4893 ( 3054 PWs) bands (ev):
0.9820 0.9820 0.9820 0.9820 1.4168 1.4168 1.4168 1.4168
4.7013 4.7013 4.7013 4.7013 5.5167 5.5167 5.5167 5.5167
12.6169 12.6169 12.6169 12.6169 12.6400 12.6400 12.6400 12.6400
13.3035 13.3035 13.3035 13.3035 13.5298 13.5298 13.5298 13.5298
14.2813 14.2813 14.2813 14.2813 14.4044 14.4044 14.4044 14.4044
k =-0.4927 0.3111 0.4893 ( 3054 PWs) bands (ev):
0.9780 0.9780 0.9780 0.9780 1.4129 1.4129 1.4129 1.4129
4.8337 4.8337 4.8337 4.8337 5.3775 5.3775 5.3775 5.3775
12.6388 12.6388 12.6388 12.6388 12.6984 12.6984 12.6984 12.6984
13.2773 13.2773 13.2773 13.2773 13.5681 13.5681 13.5681 13.5681
14.2328 14.2328 14.2328 14.2328 14.3526 14.3526 14.3526 14.3526
k =-0.5000 0.2989 0.4893 ( 3048 PWs) bands (ev):
0.9767 0.9767 0.9767 0.9767 1.4116 1.4116 1.4116 1.4116
4.8967 4.8967 4.8967 4.8967 5.3122 5.3122 5.3122 5.3122
12.6444 12.6444 12.6444 12.6444 12.7217 12.7217 12.7217 12.7217
13.2668 13.2668 13.2668 13.2668 13.5825 13.5825 13.5825 13.5825
14.2162 14.2162 14.2162 14.2162 14.3337 14.3337 14.3337 14.3337
k =-0.5000 0.2989 0.4893 ( 3048 PWs) bands (ev):
0.9767 0.9767 0.9767 0.9767 1.4116 1.4116 1.4116 1.4116
4.8967 4.8967 4.8967 4.8967 5.3122 5.3122 5.3122 5.3122
12.6444 12.6444 12.6444 12.6444 12.7217 12.7217 12.7217 12.7217
13.2668 13.2668 13.2668 13.2668 13.5825 13.5825 13.5825 13.5825
14.2162 14.2162 14.2162 14.2162 14.3337 14.3337 14.3337 14.3337
k =-0.5000 0.2989 0.4745 ( 3048 PWs) bands (ev):
0.8838 0.8838 1.0724 1.0724 1.3187 1.3187 1.5073 1.5073
4.8071 4.8071 4.9873 4.9873 5.2258 5.2258 5.4030 5.4030
12.4693 12.4693 12.6473 12.6473 12.7694 12.7694 12.8013 12.8013
13.0949 13.0949 13.4215 13.4215 13.4822 13.4822 13.6958 13.6958
14.2061 14.2061 14.2699 14.2699 14.2819 14.2819 14.3934 14.3934
k =-0.5000 0.2989 0.4597 ( 3042 PWs) bands (ev):
0.7937 0.7937 1.1709 1.1709 1.2286 1.2286 1.6058 1.6058
4.7197 4.7197 5.0672 5.0672 5.1553 5.1553 5.4968 5.4968
12.2742 12.2742 12.5456 12.5456 12.8094 12.8094 12.9178 12.9178
12.9292 12.9292 13.3929 13.3929 13.5457 13.5457 13.8181 13.8181
14.2272 14.2272 14.2434 14.2434 14.3773 14.3773 14.4588 14.4588
k =-0.5000 0.2989 0.4449 ( 3046 PWs) bands (ev):
0.7064 0.7064 1.1413 1.1413 1.2722 1.2722 1.7071 1.7071
4.6349 4.6349 5.0390 5.0390 5.1983 5.1983 5.5935 5.5935
12.0653 12.0653 12.4030 12.4030 12.7861 12.7861 12.8318 12.8318
13.0099 13.0099 13.3118 13.3118 13.6406 13.6406 13.9285 13.9285
14.2367 14.2367 14.2701 14.2701 14.5282 14.5282 14.5361 14.5361
k =-0.5000 0.2989 0.4300 ( 3040 PWs) bands (ev):
0.6219 0.6219 1.0568 1.0568 1.3762 1.3762 1.8112 1.8112
4.5527 4.5527 4.9631 4.9631 5.2944 5.2944 5.6928 5.6928
11.8473 11.8473 12.2198 12.2198 12.6773 12.6773 12.8394 12.8394
13.0722 13.0722 13.2362 13.2362 13.7182 13.7182 13.9799 13.9799
14.3017 14.3017 14.3283 14.3283 14.6017 14.6017 14.7327 14.7327
k =-0.5000 0.2989 0.4152 ( 3042 PWs) bands (ev):
0.5402 0.5402 0.9752 0.9752 1.4830 1.4830 1.9181 1.9181
4.4731 4.4731 4.8861 4.8861 5.3970 5.3970 5.7947 5.7947
11.6233 11.6233 12.0108 12.0108 12.5900 12.5900 12.8338 12.8338
13.1105 13.1105 13.1645 13.1645 13.7904 13.7904 13.9671 13.9671
14.3980 14.3980 14.4335 14.4335 14.6770 14.6770 14.9546 14.9546
k =-0.5000 0.2989 0.4004 ( 3038 PWs) bands (ev):
0.4613 0.4613 0.8964 0.8964 1.5926 1.5926 2.0278 2.0278
4.3963 4.3963 4.8110 4.8110 5.5030 5.5030 5.8992 5.8992
11.3955 11.3955 11.7886 11.7886 12.5141 12.5141 12.8171 12.8171
13.0949 13.0949 13.1297 13.1297 13.8640 13.8640 13.9240 13.9240
14.4766 14.4766 14.5870 14.5870 14.7527 14.7527 15.1920 15.1920
k =-0.5000 0.2989 0.3855 ( 3042 PWs) bands (ev):
0.3853 0.3853 0.8204 0.8204 1.7049 1.7049 2.1402 2.1402
4.3223 4.3223 4.7382 4.7382 5.6120 5.6120 6.0062 6.0062
11.1655 11.1655 11.5600 11.5600 12.4446 12.4446 12.7916 12.7916
13.0277 13.0277 13.1327 13.1327 13.8617 13.8617 13.9438 13.9438
14.5625 14.5625 14.7387 14.7387 14.8253 14.8253 15.4395 15.4395
k =-0.5000 0.2989 0.3707 ( 3046 PWs) bands (ev):
0.3121 0.3121 0.7473 0.7473 1.8199 1.8199 2.2554 2.2554
4.2510 4.2510 4.6679 4.6679 5.7237 5.7237 6.1156 6.1156
10.9344 10.9344 11.3285 11.3285 12.3792 12.3792 12.7597 12.7597
12.9617 12.9617 13.1236 13.1236 13.7845 13.7845 14.0280 14.0280
14.6545 14.6545 14.8781 14.8781 14.8867 14.8867 15.5572 15.5572
k =-0.5000 0.2989 0.3559 ( 3038 PWs) bands (ev):
0.2418 0.2418 0.6770 0.6770 1.9376 1.9376 2.3734 2.3734
4.1824 4.1824 4.6003 4.6003 5.8382 5.8382 6.2274 6.2274
10.7030 10.7030 11.0959 11.0959 12.3169 12.3169 12.7234 12.7234
12.8966 12.8966 13.1051 13.1051 13.6904 13.6904 14.1179 14.1179
14.7517 14.7517 14.9139 14.9139 15.0012 15.0012 15.4070 15.4070
k =-0.5000 0.2989 0.3411 ( 3040 PWs) bands (ev):
0.1743 0.1743 0.6096 0.6096 2.0580 2.0580 2.4942 2.4942
4.1167 4.1167 4.5353 4.5353 5.9553 5.9553 6.3416 6.3416
10.4719 10.4719 10.8632 10.8632 12.2574 12.2574 12.6841 12.6841
12.8321 12.8321 13.0790 13.0790 13.5800 13.5800 14.2127 14.2127
14.8535 14.8535 14.8613 14.8613 15.1084 15.1084 15.3411 15.3411
k =-0.5000 0.2989 0.3262 ( 3036 PWs) bands (ev):
0.1096 0.1096 0.5450 0.5450 2.1810 2.1810 2.6177 2.6177
4.0538 4.0538 4.4731 4.4731 6.0750 6.0750 6.4581 6.4581
10.2415 10.2415 10.6312 10.6312 12.2003 12.2003 12.6432 12.6432
12.7677 12.7677 13.0465 13.0465 13.4552 13.4552 14.3120 14.3120
14.7243 14.7243 14.9595 14.9595 15.2034 15.2034 15.3648 15.3648
k =-0.5000 0.2989 0.3114 ( 3038 PWs) bands (ev):
0.0478 0.0478 0.4832 0.4832 2.3067 2.3067 2.7440 2.7440
3.9938 3.9938 4.4135 4.4135 6.1973 6.1973 6.5768 6.5768
10.0123 10.0123 10.4002 10.4002 12.1457 12.1457 12.6015 12.6015
12.7031 12.7031 13.0071 13.0071 13.3201 13.3201 14.4150 14.4150
14.5494 14.5494 15.0692 15.0692 15.2909 15.2909 15.4324 15.4324
k =-0.5000 0.2989 0.2966 ( 3038 PWs) bands (ev):
-0.0112 -0.0112 0.4243 0.4243 2.4350 2.4350 2.8729 2.8729
3.9366 3.9366 4.3567 4.3567 6.3221 6.3221 6.6977 6.6977
9.7844 9.7844 10.1706 10.1706 12.0935 12.0935 12.5597 12.5597
12.6377 12.6377 12.9556 12.9556 13.1830 13.1830 14.3625 14.3625
14.5219 14.5219 15.1825 15.1825 15.3747 15.3747 15.5178 15.5178
k =-0.5000 0.2989 0.2817 ( 3050 PWs) bands (ev):
-0.0673 -0.0673 0.3683 0.3683 2.5658 2.5658 3.0047 3.0047
3.8823 3.8823 4.3026 4.3026 6.4494 6.4494 6.8206 6.8206
9.5581 9.5581 9.9425 9.9425 12.0438 12.0438 12.5183 12.5183
12.5709 12.5709 12.8751 12.8751 13.0643 13.0643 14.1750 14.1750
14.6312 14.6312 15.2990 15.2990 15.4576 15.4576 15.6115 15.6115
k =-0.5000 0.2989 0.2669 ( 3050 PWs) bands (ev):
-0.1206 -0.1206 0.3151 0.3151 2.6990 2.6990 3.1391 3.1391
3.8311 3.8311 4.2512 4.2512 6.5792 6.5792 6.9453 6.9453
9.3337 9.3337 9.7162 9.7162 11.9964 11.9964 12.4770 12.4770
12.5025 12.5025 12.7472 12.7472 12.9854 12.9854 13.9908 13.9908
14.7429 14.7429 15.4185 15.4185 15.5408 15.5408 15.7099 15.7099
k =-0.5000 0.2989 0.2521 ( 3046 PWs) bands (ev):
-0.1710 -0.1710 0.2648 0.2648 2.8345 2.8345 3.2763 3.2763
3.7830 3.7830 4.2026 4.2026 6.7114 6.7114 7.0718 7.0718
9.1114 9.1114 9.4918 9.4918 11.9515 11.9515 12.4243 12.4243
12.4432 12.4432 12.5872 12.5872 12.9333 12.9333 13.8128 13.8128
14.8566 14.8566 15.5408 15.5408 15.6252 15.6252 15.8113 15.8113
k =-0.5000 0.2989 0.2373 ( 3046 PWs) bands (ev):
-0.2185 -0.2185 0.2173 0.2173 2.9721 2.9721 3.4162 3.4162
3.7382 3.7382 4.1567 4.1567 6.8460 6.8460 7.1997 7.1997
8.8916 8.8916 9.2694 9.2694 11.9091 11.9091 12.3483 12.3483
12.4023 12.4023 12.4145 12.4145 12.8919 12.8919 13.6435 13.6435
14.9717 14.9717 15.6658 15.6658 15.7108 15.7108 15.9145 15.9145
k =-0.5000 0.2989 0.2224 ( 3048 PWs) bands (ev):
-0.2632 -0.2632 0.1727 0.1727 3.1111 3.1111 3.5587 3.5587
3.6974 3.6974 4.1136 4.1136 6.9829 6.9829 7.3285 7.3285
8.6745 8.6745 9.0491 9.0491 11.8691 11.8691 12.2311 12.2311
12.2654 12.2654 12.3677 12.3677 12.8554 12.8554 13.4851 13.4851
15.0876 15.0876 15.7920 15.7920 15.7983 15.7983 16.0187 16.0187
k =-0.5000 0.2989 0.2076 ( 3044 PWs) bands (ev):
-0.3050 -0.3050 0.1310 0.1310 3.2501 3.2501 3.6620 3.6620
3.7040 3.7040 4.0733 4.0733 7.1221 7.1221 7.4573 7.4573
8.4611 8.4611 8.8308 8.8308 11.8316 11.8316 12.0472 12.0472
12.1728 12.1728 12.3336 12.3336 12.8220 12.8220 13.3396 13.3396
15.2035 15.2035 15.8835 15.8835 15.9232 15.9232 16.1234 16.1234
k =-0.5000 0.2989 0.1928 ( 3040 PWs) bands (ev):
-0.3439 -0.3439 0.0921 0.0921 3.3835 3.3835 3.6374 3.6374
3.8520 3.8520 4.0357 4.0357 7.2634 7.2634 7.5836 7.5836
8.2538 8.2538 8.6148 8.6148 11.7965 11.7965 11.8611 11.8611
12.0714 12.0714 12.3017 12.3017 12.7911 12.7911 13.2087 13.2087
15.3185 15.3185 15.9701 15.9701 16.0548 16.0548 16.2278 16.2278
k =-0.5000 0.2989 0.1779 ( 3052 PWs) bands (ev):
-0.3799 -0.3799 0.0561 0.0561 3.4840 3.4840 3.6510 3.6510
4.0008 4.0008 4.0026 4.0026 7.4068 7.4068 7.6967 7.6967
8.0631 8.0631 8.4011 8.4011 11.6737 11.6737 11.7645 11.7645
11.9603 11.9603 12.2718 12.2718 12.7625 12.7625 13.0935 13.0935
15.4316 15.4316 16.0555 16.0555 16.1882 16.1882 16.3314 16.3314
k =-0.5000 0.2989 0.1631 ( 3052 PWs) bands (ev):
-0.4131 -0.4131 0.0230 0.0230 3.5053 3.5053 3.7489 3.7489
3.9688 3.9688 4.1559 4.1559 7.5521 7.5521 7.7204 7.7204
7.9648 7.9648 8.1896 8.1896 11.4867 11.4867 11.7345 11.7345
11.8399 11.8399 12.2442 12.2442 12.7361 12.7361 12.9940 12.9940
15.5411 15.5411 16.1391 16.1391 16.3229 16.3229 16.4333 16.4333
k =-0.5000 0.2989 0.1483 ( 3056 PWs) bands (ev):
-0.4434 -0.4434 -0.0072 -0.0072 3.4903 3.4903 3.8883 3.8883
3.9396 3.9396 4.3118 4.3118 7.5714 7.5714 7.6993 7.6993
7.9804 7.9804 8.0418 8.0418 11.3005 11.3005 11.7070 11.7070
11.7117 11.7117 12.2188 12.2188 12.7119 12.7119 12.9095 12.9095
15.6452 15.6452 16.2199 16.2199 16.4586 16.4586 16.5330 16.5330
k =-0.5000 0.2989 0.1335 ( 3068 PWs) bands (ev):
-0.4708 -0.4708 -0.0346 -0.0346 3.4692 3.4692 3.9131 3.9131
4.0386 4.0386 4.4703 4.4703 7.3808 7.3808 7.7736 7.7736
7.8478 7.8478 8.1629 8.1629 11.1158 11.1158 11.5774 11.5774
11.6825 11.6825 12.1956 12.1956 12.6899 12.6899 12.8386 12.8386
15.7419 15.7419 16.2968 16.2968 16.5944 16.5944 16.6295 16.6295
k =-0.5000 0.2989 0.1186 ( 3070 PWs) bands (ev):
-0.4953 -0.4953 -0.0591 -0.0591 3.4482 3.4482 3.8894 3.8894
4.1937 4.1937 4.6315 4.6315 7.1851 7.1851 7.5693 7.5693
7.9973 7.9973 8.2904 8.2904 10.9331 10.9331 11.4401 11.4401
11.6603 11.6603 12.1749 12.1749 12.6701 12.6701 12.7797 12.7797
15.8287 15.8287 16.3687 16.3687 16.7189 16.7189 16.7327 16.7327
k =-0.5000 0.2989 0.1038 ( 3064 PWs) bands (ev):
-0.5170 -0.5170 -0.0807 -0.0807 3.4287 3.4287 3.8684 3.8684
4.3516 4.3516 4.7952 4.7952 6.9903 6.9903 7.3675 7.3675
8.1474 8.1474 8.4178 8.4178 10.7534 10.7534 11.3026 11.3026
11.6408 11.6408 12.1565 12.1565 12.6525 12.6525 12.7311 12.7311
15.9039 15.9039 16.4345 16.4345 16.8066 16.8066 16.8656 16.8656
k =-0.5000 0.2989 0.0890 ( 3064 PWs) bands (ev):
-0.5357 -0.5357 -0.0994 -0.0994 3.4115 3.4115 3.8503 3.8503
4.5112 4.5112 4.9615 4.9615 6.7982 6.7982 7.1682 7.1682
8.2972 8.2972 8.5419 8.5419 10.5775 10.5775 11.1680 11.1680
11.6238 11.6238 12.1405 12.1405 12.6373 12.6373 12.6914 12.6914
15.9660 15.9660 16.4930 16.4930 16.8862 16.8862 16.9968 16.9968
k =-0.5000 0.2989 0.0741 ( 3058 PWs) bands (ev):
-0.5516 -0.5516 -0.1153 -0.1153 3.3967 3.3967 3.8350 3.8350
4.6715 4.6715 5.1302 5.1302 6.6103 6.6103 6.9714 6.9714
8.4453 8.4453 8.6598 8.6598 10.4072 10.4072 11.0398 11.0398
11.6094 11.6094 12.1269 12.1269 12.6243 12.6243 12.6595 12.6595
16.0150 16.0150 16.5432 16.5432 16.9572 16.9572 17.1213 17.1213
k =-0.5000 0.2989 0.0593 ( 3058 PWs) bands (ev):
-0.5646 -0.5646 -0.1283 -0.1283 3.3846 3.3846 3.8224 3.8224
4.8308 4.8308 5.3013 5.3013 6.4283 6.4283 6.7775 6.7775
8.5893 8.5893 8.7680 8.7680 10.2448 10.2448 10.9223 10.9223
11.5977 11.5977 12.1157 12.1157 12.6137 12.6137 12.6344 12.6344
16.0519 16.0519 16.5845 16.5845 17.0183 17.0183 17.2023 17.2023
k =-0.5000 0.2989 0.0445 ( 3062 PWs) bands (ev):
-0.5747 -0.5747 -0.1384 -0.1384 3.3750 3.3750 3.8126 3.8126
4.9859 4.9859 5.4744 5.4744 6.2556 6.2556 6.5865 6.5865
8.7249 8.7249 8.8619 8.8619 10.0949 10.0949 10.8205 10.8205
11.5885 11.5885 12.1071 12.1071 12.6054 12.6054 12.6155 12.6155
16.0783 16.0783 16.6164 16.6164 17.0679 17.0679 17.2065 17.2065
k =-0.5000 0.2989 0.0297 ( 3066 PWs) bands (ev):
-0.5819 -0.5819 -0.1456 -0.1456 3.3682 3.3682 3.8057 3.8057
5.1297 5.1297 5.6487 5.6487 6.0991 6.0991 6.3995 6.3995
8.8437 8.8437 8.9360 8.9360 9.9657 9.9657 10.7406 10.7406
11.5820 11.5820 12.1009 12.1009 12.5995 12.5995 12.6024 12.6024
16.0957 16.0957 16.6391 16.6391 17.1045 17.1045 17.2096 17.2096
k =-0.5000 0.2989 0.0148 ( 3066 PWs) bands (ev):
-0.5863 -0.5863 -0.1499 -0.1499 3.3641 3.3641 3.8015 3.8015
5.2445 5.2445 5.8205 5.8205 5.9767 5.9767 6.2200 6.2200
8.9304 8.9304 8.9840 8.9840 9.8727 9.8727 10.6891 10.6891
11.5781 11.5781 12.0971 12.0971 12.5946 12.5946 12.5960 12.5960
16.1056 16.1056 16.6525 16.6525 17.1270 17.1270 17.2119 17.2119
k =-0.5000 0.2989 0.0000 ( 3070 PWs) bands (ev):
-0.5877 -0.5877 -0.1513 -0.1513 3.3627 3.3627 3.8001 3.8001
5.2925 5.2925 5.9260 5.9260 5.9403 5.9403 6.0979 6.0979
8.9634 8.9634 9.0008 9.0008 9.8376 9.8376 10.6712 10.6712
11.5768 11.5768 12.0959 12.0959 12.5920 12.5920 12.5948 12.5948
16.1088 16.1088 16.6570 16.6570 17.1346 17.1346 17.2127 17.2127
k = 0.0000 0.0000 0.4893 ( 3048 PWs) bands (ev):
-1.0380 -1.0380 -1.0380 -1.0380 6.7005 6.7005 6.7005 6.7005
7.1823 7.1823 7.1823 7.1823 7.4371 7.4371 7.4371 7.4371
7.4534 7.4534 7.4534 7.4534 7.7676 7.7676 7.7676 7.7676
7.9921 7.9921 7.9921 7.9921 11.1569 11.1569 11.1569 11.1569
18.2794 18.2794 18.2794 18.2794 18.6328 18.6328 18.6328 18.6328
k =-0.0125 0.0075 0.4893 ( 3054 PWs) bands (ev):
-1.0366 -1.0366 -1.0366 -1.0366 6.6858 6.6858 6.6872 6.6872
7.1622 7.1622 7.1656 7.1656 7.3781 7.3781 7.3797 7.3797
7.4593 7.4593 7.4600 7.4600 7.7814 7.7814 7.7830 7.7830
8.0689 8.0689 8.0694 8.0694 11.1582 11.1582 11.1582 11.1582
18.2409 18.2409 18.2411 18.2411 18.6663 18.6663 18.6668 18.6668
k =-0.0250 0.0149 0.4893 ( 3054 PWs) bands (ev):
-1.0324 -1.0324 -1.0324 -1.0324 6.6463 6.6463 6.6489 6.6489
7.1127 7.1127 7.1176 7.1176 7.2272 7.2272 7.2274 7.2274
7.5056 7.5056 7.5064 7.5064 7.8315 7.8315 7.8332 7.8332
8.2340 8.2340 8.2344 8.2344 11.1622 11.1622 11.1622 11.1622
18.1520 18.1520 18.1523 18.1523 18.7396 18.7396 18.7405 18.7405
k =-0.0375 0.0224 0.4893 ( 3054 PWs) bands (ev):
-1.0254 -1.0254 -1.0254 -1.0254 6.5890 6.5890 6.5922 6.5922
7.0344 7.0344 7.0375 7.0375 7.0591 7.0591 7.0611 7.0611
7.5751 7.5751 7.5755 7.5755 7.9079 7.9079 7.9096 7.9096
8.4290 8.4290 8.4292 8.4292 11.1689 11.1689 11.1689 11.1689
18.0419 18.0419 18.0422 18.0422 18.8163 18.8163 18.8176 18.8176
k =-0.0500 0.0299 0.4893 ( 3062 PWs) bands (ev):
-1.0157 -1.0157 -1.0157 -1.0157 6.5198 6.5198 6.5234 6.5234
6.8559 6.8559 6.8564 6.8564 6.9738 6.9738 6.9782 6.9782
7.6603 7.6603 7.6607 7.6607 8.0000 8.0000 8.0019 8.0019
8.6365 8.6365 8.6366 8.6366 11.1783 11.1783 11.1783 11.1783
17.9220 17.9220 17.9223 17.9223 18.8626 18.8626 18.8641 18.8641
k =-0.0625 0.0374 0.4893 ( 3064 PWs) bands (ev):
-1.0032 -1.0032 -1.0032 -1.0032 6.4421 6.4421 6.4458 6.4458
6.6677 6.6677 6.6681 6.6681 6.8936 6.8936 6.8978 6.8978
7.7563 7.7563 7.7574 7.7574 8.1022 8.1022 8.1043 8.1043
8.8508 8.8508 8.8509 8.8509 11.1904 11.1904 11.1905 11.1905
17.7965 17.7965 17.7968 17.7968 18.8408 18.8408 18.8419 18.8419
k =-0.0750 0.0448 0.4893 ( 3066 PWs) bands (ev):
-0.9879 -0.9879 -0.9879 -0.9879 6.3530 6.3530 6.3563 6.3563
6.4874 6.4874 6.4874 6.4874 6.8121 6.8121 6.8161 6.8161
7.8606 7.8606 7.8623 7.8623 8.2114 8.2114 8.2136 8.2136
9.0698 9.0698 9.0699 9.0699 11.2053 11.2053 11.2054 11.2054
17.6672 17.6672 17.6675 17.6675 18.7747 18.7747 18.7758 18.7758
k =-0.0875 0.0523 0.4893 ( 3066 PWs) bands (ev):
-0.9698 -0.9698 -0.9698 -0.9698 6.2288 6.2288 6.2305 6.2305
6.3411 6.3411 6.3428 6.3428 6.7307 6.7307 6.7344 6.7344
7.9714 7.9714 7.9736 7.9736 8.3259 8.3259 8.3284 8.3284
9.2923 9.2923 9.2923 9.2923 11.2230 11.2230 11.2231 11.2231
17.5351 17.5351 17.5353 17.5353 18.6927 18.6927 18.6942 18.6942
k =-0.1000 0.0598 0.4893 ( 3060 PWs) bands (ev):
-0.9489 -0.9489 -0.9489 -0.9489 6.0589 6.0589 6.0594 6.0594
6.2419 6.2419 6.2446 6.2446 6.6501 6.6501 6.6536 6.6536
8.0874 8.0874 8.0899 8.0899 8.4449 8.4449 8.4476 8.4476
9.5175 9.5175 9.5175 9.5175 11.2436 11.2436 11.2437 11.2437
17.4008 17.4008 17.4009 17.4009 18.6027 18.6027 18.6048 18.6048
k =-0.1125 0.0672 0.4893 ( 3056 PWs) bands (ev):
-0.9253 -0.9253 -0.9253 -0.9253 5.8757 5.8757 5.8760 5.8760
6.1583 6.1583 6.1613 6.1613 6.5709 6.5709 6.5742 6.5742
8.2078 8.2078 8.2107 8.2107 8.5678 8.5678 8.5706 8.5706
9.7450 9.7450 9.7451 9.7451 11.2673 11.2673 11.2673 11.2673
17.2647 17.2647 17.2648 17.2648 18.5076 18.5076 18.5104 18.5104
k =-0.1250 0.0747 0.4893 ( 3052 PWs) bands (ev):
-0.8989 -0.8989 -0.8989 -0.8989 5.6909 5.6909 5.6910 5.6910
6.0796 6.0796 6.0826 6.0826 6.4934 6.4934 6.4965 6.4965
8.3321 8.3321 8.3353 8.3353 8.6940 8.6940 8.6970 8.6970
9.9743 9.9743 9.9745 9.9745 11.2942 11.2942 11.2942 11.2942
17.1271 17.1271 17.1272 17.1272 18.4092 18.4092 18.4126 18.4126
k =-0.1375 0.0822 0.4893 ( 3056 PWs) bands (ev):
-0.8697 -0.8697 -0.8697 -0.8697 5.5068 5.5068 5.5068 5.5068
6.0038 6.0038 6.0068 6.0068 6.4178 6.4178 6.4207 6.4207
8.4600 8.4600 8.4634 8.4634 8.8234 8.8234 8.8266 8.8266
10.2050 10.2050 10.2052 10.2052 11.3247 11.3247 11.3247 11.3247
16.9885 16.9885 16.9885 16.9885 18.3087 18.3087 18.3127 18.3127
k =-0.1500 0.0897 0.4893 ( 3066 PWs) bands (ev):
-0.8377 -0.8377 -0.8377 -0.8377 5.3243 5.3243 5.3243 5.3243
5.9304 5.9304 5.9333 5.9333 6.3443 6.3443 6.3471 6.3471
8.5912 8.5912 8.5948 8.5948 8.9559 8.9559 8.9591 8.9591
10.4361 10.4361 10.4363 10.4363 11.3596 11.3596 11.3596 11.3596
16.8490 16.8490 16.8491 16.8491 18.2069 18.2069 18.2114 18.2114
k =-0.1625 0.0971 0.4893 ( 3062 PWs) bands (ev):
-0.8030 -0.8030 -0.8030 -0.8030 5.1439 5.1439 5.1439 5.1439
5.8593 5.8593 5.8621 5.8621 6.2731 6.2731 6.2757 6.2757
8.7254 8.7254 8.7292 8.7292 9.0911 9.0911 9.0945 9.0945
10.6660 10.6660 10.6663 10.6663 11.4003 11.4003 11.4003 11.4003
16.7091 16.7091 16.7093 16.7093 18.1041 18.1041 18.1090 18.1090
k =-0.1750 0.1046 0.4893 ( 3062 PWs) bands (ev):
-0.7656 -0.7656 -0.7655 -0.7655 4.9655 4.9655 4.9656 4.9656
5.7905 5.7905 5.7932 5.7932 6.2041 6.2041 6.2067 6.2067
8.8626 8.8626 8.8666 8.8666 9.2291 9.2291 9.2326 9.2326
10.8913 10.8913 10.8917 10.8917 11.4501 11.4501 11.4502 11.4502
16.5691 16.5691 16.5693 16.5693 18.0002 18.0002 18.0054 18.0054
k =-0.1875 0.1121 0.4893 ( 3050 PWs) bands (ev):
-0.7253 -0.7253 -0.7253 -0.7253 4.7895 4.7895 4.7896 4.7896
5.7241 5.7241 5.7267 5.7267 6.1376 6.1376 6.1400 6.1400
9.0025 9.0025 9.0067 9.0067 9.3696 9.3696 9.3733 9.3733
11.1034 11.1034 11.1040 11.1040 11.5174 11.5174 11.5176 11.5176
16.4291 16.4291 16.4294 16.4294 17.8948 17.8948 17.9003 17.9003
k =-0.2000 0.1195 0.4893 ( 3062 PWs) bands (ev):
-0.6823 -0.6823 -0.6823 -0.6823 4.6159 4.6159 4.6159 4.6159
5.6601 5.6601 5.6626 5.6626 6.0735 6.0735 6.0758 6.0758
9.1451 9.1451 9.1495 9.1495 9.5128 9.5128 9.5165 9.5165
11.2819 11.2819 11.2826 11.2826 11.6227 11.6227 11.6229 11.6229
16.2894 16.2894 16.2898 16.2898 17.7871 17.7871 17.7928 17.7928
k =-0.2125 0.1270 0.4893 ( 3046 PWs) bands (ev):
-0.6366 -0.6366 -0.6366 -0.6366 4.4446 4.4446 4.4447 4.4447
5.5985 5.5985 5.6009 5.6009 6.0119 6.0119 6.0140 6.0140
9.2904 9.2904 9.2949 9.2949 9.6583 9.6583 9.6622 9.6622
11.4056 11.4056 11.4062 11.4062 11.7869 11.7869 11.7871 11.7871
16.1504 16.1504 16.1508 16.1508 17.6761 17.6761 17.6820 17.6820
k =-0.2250 0.1345 0.4893 ( 3042 PWs) bands (ev):
-0.5881 -0.5881 -0.5881 -0.5881 4.2759 4.2759 4.2759 4.2759
5.5394 5.5394 5.5417 5.5417 5.9527 5.9527 5.9548 5.9548
9.4381 9.4381 9.4428 9.4428 9.8063 9.8063 9.8103 9.8103
11.4882 11.4882 11.4888 11.4888 11.9962 11.9962 11.9963 11.9963
16.0122 16.0122 16.0127 16.0127 17.5608 17.5608 17.5668 17.5668
k =-0.2375 0.1420 0.4893 ( 3038 PWs) bands (ev):
-0.5369 -0.5369 -0.5369 -0.5369 4.1096 4.1096 4.1097 4.1097
5.4828 5.4828 5.4849 5.4849 5.8961 5.8961 5.8981 5.8981
9.5884 9.5884 9.5931 9.5931 9.9565 9.9565 9.9606 9.9606
11.5536 11.5536 11.5541 11.5541 12.2263 12.2263 12.2265 12.2265
15.8751 15.8751 15.8756 15.8756 17.4399 17.4399 17.4458 17.4458
k =-0.2500 0.1494 0.4893 ( 3042 PWs) bands (ev):
-0.4830 -0.4830 -0.4829 -0.4829 3.9459 3.9459 3.9459 3.9459
5.4286 5.4286 5.4307 5.4307 5.8421 5.8421 5.8439 5.8439
9.7410 9.7410 9.7459 9.7459 10.1089 10.1089 10.1132 10.1132
11.6131 11.6131 11.6136 11.6136 12.4656 12.4656 12.4660 12.4660
15.7393 15.7393 15.7399 15.7399 17.3123 17.3123 17.3180 17.3180
k =-0.2625 0.1569 0.4893 ( 3030 PWs) bands (ev):
-0.4263 -0.4263 -0.4263 -0.4263 3.7847 3.7847 3.7848 3.7848
5.3771 5.3771 5.3790 5.3790 5.7906 5.7906 5.7924 5.7924
9.8959 9.8959 9.9009 9.9009 10.2635 10.2635 10.2678 10.2678
11.6711 11.6711 11.6715 11.6715 12.7096 12.7096 12.7100 12.7100
15.6050 15.6050 15.6056 15.6056 17.1771 17.1771 17.1826 17.1826
k =-0.2750 0.1644 0.4893 ( 3034 PWs) bands (ev):
-0.3669 -0.3669 -0.3669 -0.3669 3.6262 3.6262 3.6262 3.6262
5.3281 5.3281 5.3299 5.3299 5.7418 5.7418 5.7434 5.7434
10.0530 10.0530 10.0582 10.0582 10.4200 10.4200 10.4245 10.4245
11.7293 11.7293 11.7297 11.7297 12.9558 12.9558 12.9564 12.9564
15.4724 15.4724 15.4731 15.4731 17.0340 17.0340 17.0392 17.0392
k =-0.2875 0.1718 0.4893 ( 3036 PWs) bands (ev):
-0.3049 -0.3049 -0.3049 -0.3049 3.4702 3.4702 3.4703 3.4703
5.2817 5.2817 5.2834 5.2834 5.6955 5.6955 5.6970 5.6970
10.2123 10.2123 10.2176 10.2176 10.5783 10.5783 10.5829 10.5829
11.7886 11.7886 11.7891 11.7891 13.2027 13.2027 13.2035 13.2035
15.3417 15.3417 15.3425 15.3425 16.8836 16.8836 16.8884 16.8884
k =-0.3000 0.1793 0.4893 ( 3032 PWs) bands (ev):
-0.2402 -0.2402 -0.2401 -0.2401 3.3169 3.3169 3.3169 3.3169
5.2379 5.2379 5.2395 5.2395 5.6518 5.6518 5.6532 5.6532
10.3736 10.3736 10.3790 10.3790 10.7383 10.7383 10.7431 10.7431
11.8496 11.8496 11.8501 11.8501 13.4490 13.4490 13.4499 13.4499
15.2133 15.2133 15.2141 15.2141 16.7270 16.7270 16.7314 16.7314
k =-0.3125 0.1868 0.4893 ( 3028 PWs) bands (ev):
-0.1728 -0.1728 -0.1727 -0.1727 3.1663 3.1663 3.1663 3.1663
5.1966 5.1966 5.1982 5.1982 5.6107 5.6107 5.6121 5.6121
10.5369 10.5369 10.5425 10.5425 10.8998 10.8998 10.9046 10.9046
11.9124 11.9124 11.9130 11.9130 13.6927 13.6927 13.6938 13.6938
15.0874 15.0874 15.0882 15.0882 16.5662 16.5662 16.5703 16.5703
k =-0.3250 0.1943 0.4893 ( 3024 PWs) bands (ev):
-0.1027 -0.1027 -0.1027 -0.1027 3.0183 3.0183 3.0184 3.0184
5.1581 5.1581 5.1595 5.1595 5.5723 5.5723 5.5736 5.5736
10.7019 10.7019 10.7077 10.7077 11.0624 11.0624 11.0673 11.0673
11.9774 11.9774 11.9779 11.9779 13.9312 13.9312 13.9326 13.9326
14.9645 14.9645 14.9653 14.9653 16.4044 16.4044 16.4082 16.4082
k =-0.3375 0.2017 0.4893 ( 3024 PWs) bands (ev):
-0.0301 -0.0301 -0.0301 -0.0301 2.8732 2.8732 2.8732 2.8732
5.1221 5.1221 5.1234 5.1234 5.5365 5.5365 5.5377 5.5377
10.8687 10.8687 10.8746 10.8746 11.2257 11.2257 11.2308 11.2308
12.0446 12.0446 12.0452 12.0452 14.1602 14.1602 14.1619 14.1619
14.8452 14.8452 14.8460 14.8460 16.2460 16.2460 16.2497 16.2497
k =-0.3500 0.2092 0.4893 ( 3032 PWs) bands (ev):
0.0450 0.0450 0.0451 0.0451 2.7308 2.7308 2.7308 2.7308
5.0888 5.0888 5.0900 5.0900 5.5033 5.5033 5.5044 5.5044
11.0368 11.0368 11.0429 11.0429 11.3892 11.3892 11.3945 11.3945
12.1143 12.1143 12.1149 12.1149 14.3706 14.3706 14.3725 14.3725
14.7321 14.7321 14.7326 14.7326 16.0978 16.0978 16.1017 16.1017
k =-0.3625 0.2167 0.4893 ( 3032 PWs) bands (ev):
0.1227 0.1227 0.1228 0.1228 2.5912 2.5912 2.5913 2.5913
5.0581 5.0581 5.0592 5.0592 5.4728 5.4728 5.4738 5.4738
11.2062 11.2062 11.2124 11.2124 11.5522 11.5522 11.5576 11.5576
12.1867 12.1867 12.1875 12.1875 14.5281 14.5281 14.5283 14.5283
14.6471 14.6471 14.6489 14.6489 15.9705 15.9705 15.9748 15.9748
k =-0.3750 0.2241 0.4893 ( 3024 PWs) bands (ev):
0.2029 0.2029 0.2029 0.2029 2.4546 2.4546 2.4546 2.4546
5.0301 5.0301 5.0311 5.0311 5.4449 5.4449 5.4458 5.4458
11.3763 11.3763 11.3828 11.3828 11.7134 11.7134 11.7190 11.7190
12.2624 12.2624 12.2633 12.2633 14.4852 14.4852 14.4869 14.4869
14.7136 14.7136 14.7180 14.7180 15.8752 15.8752 15.8799 15.8799
k =-0.3875 0.2316 0.4893 ( 3032 PWs) bands (ev):
0.2853 0.2853 0.2853 0.2853 2.3210 2.3210 2.3211 2.3211
5.0047 5.0047 5.0056 5.0056 5.4197 5.4197 5.4205 5.4205
11.5467 11.5467 11.5534 11.5534 11.8713 11.8713 11.8770 11.8770
12.3422 12.3422 12.3432 12.3432 14.3872 14.3872 14.3888 14.3888
14.7648 14.7648 14.7693 14.7693 15.7846 15.7846 15.7884 15.7884
k =-0.4000 0.2391 0.4893 ( 3036 PWs) bands (ev):
0.3699 0.3699 0.3700 0.3700 2.1906 2.1906 2.1907 2.1907
4.9820 4.9820 4.9828 4.9828 5.3971 5.3971 5.3978 5.3978
11.7166 11.7166 11.7237 11.7237 12.0231 12.0231 12.0291 12.0291
12.4274 12.4274 12.4287 12.4287 14.2906 14.2906 14.2921 14.2921
14.7352 14.7352 14.7392 14.7392 15.6318 15.6318 15.6338 15.6338
k =-0.4125 0.2466 0.4893 ( 3036 PWs) bands (ev):
0.4565 0.4565 0.4566 0.4566 2.0637 2.0637 2.0637 2.0637
4.9620 4.9620 4.9627 4.9627 5.3772 5.3772 5.3778 5.3778
11.8849 11.8849 11.8923 11.8923 12.1654 12.1654 12.1715 12.1715
12.5201 12.5201 12.5218 12.5218 14.1999 14.1999 14.2013 14.2013
14.6430 14.6430 14.6462 14.6462 15.4473 15.4473 15.4485 15.4485
k =-0.4250 0.2540 0.4893 ( 3036 PWs) bands (ev):
0.5447 0.5447 0.5447 0.5447 1.9405 1.9405 1.9405 1.9405
4.9446 4.9446 4.9452 4.9452 5.3599 5.3599 5.3605 5.3605
12.0496 12.0496 12.0576 12.0576 12.2938 12.2938 12.3002 12.3002
12.6224 12.6224 12.6244 12.6244 14.1170 14.1170 14.1181 14.1181
14.5165 14.5165 14.5186 14.5186 15.2571 15.2571 15.2579 15.2579
k =-0.4375 0.2615 0.4893 ( 3032 PWs) bands (ev):
0.6339 0.6339 0.6339 0.6339 1.8217 1.8217 1.8217 1.8217
4.9299 4.9299 4.9304 4.9304 5.3453 5.3453 5.3458 5.3458
12.2076 12.2076 12.2165 12.2165 12.4053 12.4053 12.4123 12.4123
12.7346 12.7346 12.7370 12.7370 14.0421 14.0421 14.0424 14.0424
14.3781 14.3781 14.3787 14.3787 15.0688 15.0688 15.0691 15.0691
k =-0.4500 0.2690 0.4893 ( 3026 PWs) bands (ev):
0.7229 0.7229 0.7230 0.7230 1.7084 1.7084 1.7084 1.7084
4.9179 4.9179 4.9183 4.9183 5.3334 5.3334 5.3337 5.3337
12.3535 12.3535 12.3636 12.3636 12.4997 12.4997 12.5080 12.5080
12.8542 12.8542 12.8565 12.8565 13.9685 13.9685 13.9699 13.9699
14.2480 14.2480 14.2497 14.2497 14.8858 14.8858 14.8859 14.8859
k =-0.4625 0.2764 0.4893 ( 3030 PWs) bands (ev):
0.8097 0.8097 0.8097 0.8097 1.6028 1.6028 1.6028 1.6028
4.9086 4.9086 4.9089 4.9089 5.3241 5.3241 5.3244 5.3244
12.4783 12.4783 12.4898 12.4898 12.5796 12.5796 12.5896 12.5896
12.9767 12.9767 12.9784 12.9784 13.8787 13.8787 13.8821 13.8821
14.1584 14.1584 14.1626 14.1626 14.7112 14.7112 14.7119 14.7119
k =-0.4750 0.2839 0.4893 ( 3040 PWs) bands (ev):
0.8894 0.8894 0.8894 0.8894 1.5096 1.5096 1.5096 1.5096
4.9019 4.9019 4.9021 4.9021 5.3175 5.3175 5.3177 5.3177
12.5705 12.5705 12.5811 12.5811 12.6483 12.6483 12.6580 12.6580
13.0983 13.0983 13.0989 13.0989 13.7620 13.7620 13.7659 13.7659
14.1359 14.1359 14.1408 14.1408 14.5499 14.5499 14.5513 14.5513
k =-0.4875 0.2914 0.4893 ( 3044 PWs) bands (ev):
0.9516 0.9516 0.9516 0.9516 1.4394 1.4394 1.4394 1.4394
4.8980 4.8980 4.8981 4.8981 5.3135 5.3135 5.3136 5.3136
12.6249 12.6249 12.6307 12.6307 12.7006 12.7006 12.7060 12.7060
13.2095 13.2095 13.2098 13.2098 13.6429 13.6429 13.6457 13.6457
14.1704 14.1704 14.1744 14.1744 14.4106 14.4106 14.4126 14.4126
k =-0.5000 0.2989 0.4893 ( 3048 PWs) bands (ev):
0.9767 0.9767 0.9767 0.9767 1.4116 1.4116 1.4116 1.4116
4.8967 4.8967 4.8967 4.8967 5.3122 5.3122 5.3122 5.3122
12.6444 12.6444 12.6444 12.6444 12.7217 12.7217 12.7217 12.7217
13.2668 13.2668 13.2668 13.2668 13.5825 13.5825 13.5825 13.5825
14.2162 14.2162 14.2162 14.2162 14.3337 14.3337 14.3337 14.3337
Writing output data file Si.save
init_run : 0.15s CPU 0.28s WALL ( 1 calls)
electrons : 165.42s CPU 168.15s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.01s CPU 0.03s WALL ( 1 calls)
Called by electrons:
c_bands : 165.42s CPU 168.14s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.07s CPU 0.08s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.05s CPU 0.05s WALL ( 404 calls)
cegterg : 147.94s CPU 149.97s WALL ( 629 calls)
Called by sum_band:
Called by *egterg:
h_psi : 89.24s CPU 90.78s WALL ( 10382 calls)
s_psi : 11.78s CPU 11.68s WALL ( 10382 calls)
g_psi : 0.16s CPU 0.20s WALL ( 9349 calls)
cdiaghg : 47.62s CPU 48.56s WALL ( 9753 calls)
cegterg:over : 4.32s CPU 4.36s WALL ( 9349 calls)
cegterg:upda : 3.71s CPU 3.66s WALL ( 9349 calls)
cegterg:last : 2.02s CPU 2.03s WALL ( 1732 calls)
cdiaghg:chol : 2.86s CPU 2.74s WALL ( 9753 calls)
cdiaghg:inve : 1.46s CPU 1.45s WALL ( 9753 calls)
cdiaghg:para : 2.69s CPU 2.82s WALL ( 19506 calls)
Called by h_psi:
h_psi:vloc : 66.85s CPU 68.25s WALL ( 10382 calls)
h_psi:vnl : 22.21s CPU 22.34s WALL ( 10382 calls)
add_vuspsi : 12.74s CPU 12.87s WALL ( 10382 calls)
General routines
calbec : 9.45s CPU 9.44s WALL ( 10382 calls)
fft : 0.00s CPU 0.00s WALL ( 15 calls)
fftw : 63.06s CPU 64.46s WALL ( 865148 calls)
davcio : 0.20s CPU 0.17s WALL ( 808 calls)
Parallel routines
fft_scatter : 22.60s CPU 22.82s WALL ( 865163 calls)
PWSCF : 2m58.26s CPU 4m 4.44s WALL
This run was terminated on: 21:19:33 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=