Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:17: 9
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:
./FeSe2.save/
file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 32 24 7 1158 781 127
Max 33 25 8 1163 795 132
Sum 1165 899 269 41721 28353 4645
bravais-lattice index = 14
lattice parameter (alat) = 6.7766 a.u.
unit-cell volume = 672.4161 (a.u.)^3
number of atoms/cell = 6
number of atomic types = 2
number of electrons = 40.00
number of Kohn-Sham states= 48
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 238.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 6.776557 celldm(2)= 1.339654 celldm(3)= 1.612939
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.339654 0.000000 )
a(3) = ( 0.000000 0.000000 1.612939 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 0.746461 -0.000000 )
b(3) = ( 0.000000 0.000000 0.619986 )
PseudoPot. # 1 for Fe read from file:
/users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 1f786298b0c3f78d6037ec413201e537
Pseudo is Ultrasoft + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1191 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Se read from file:
/users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 38611c150961c07dbd63be353364166d
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1211 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Fe 8.00 55.84500 Fe( 1.00)
Se 6.00 78.96000 Se( 1.00)
4 Sym. Ops., with inversion, found
(note: 4 additional sym.ops. were found but ignored
their fractional translations are incommensurate with FFT grid)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [1,0,0]
cryst. s( 2) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 3 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 [1,0,0]
cryst. s( 4) = ( -1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group C_2h (2/m)
there are 8 classes and 4 irreducible representations
the character table:
E -E C2 -C2 i -i s_h -s_h
G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
imaginary part
E -E C2 -C2 i -i s_h -s_h
G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00
G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00
G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
C2 2
180 deg rotation - cart. axis [1,0,0]
-C2 -2
180 deg rotation - cart. axis [1,0,0] E
i 3
inversion
-i -3
inversion E
s_h 4
inv. 180 deg rotation - cart. axis [1,0,0]
-s_h -4
inv. 180 deg rotation - cart. axis [1,0,0] E
Cartesian axes
number of k points= 432 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0023148
k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0023148
k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0023148
k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023148
k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0023148
k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0023148
k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0023148
k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023148
k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0023148
k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023148
k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0023148
k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0023148
k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0023148
k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0023148
k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0023148
k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023148
k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0023148
k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0023148
k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0023148
k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0023148
k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0023148
k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023148
k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0023148
k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0023148
k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0023148
k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0023148
k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0023148
k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0023148
k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0023148
k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0023148
k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0023148
k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023148
k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0023148
k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0023148
k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0023148
k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0023148
k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0023148
k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0023148
k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0023148
k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0023148
k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0023148
k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023148
k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0023148
k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148
k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148
k( 47) = ( 0.5000000 0.0113100 -0.0000000), wk = 0.0023148
k( 48) = ( 0.5000000 0.0226200 -0.0000000), wk = 0.0023148
k( 49) = ( 0.5000000 0.0339301 -0.0000000), wk = 0.0023148
k( 50) = ( 0.5000000 0.0452401 -0.0000000), wk = 0.0023148
k( 51) = ( 0.5000000 0.0565501 -0.0000000), wk = 0.0023148
k( 52) = ( 0.5000000 0.0678601 -0.0000000), wk = 0.0023148
k( 53) = ( 0.5000000 0.0791701 -0.0000000), wk = 0.0023148
k( 54) = ( 0.5000000 0.0904802 -0.0000000), wk = 0.0023148
k( 55) = ( 0.5000000 0.1017902 -0.0000000), wk = 0.0023148
k( 56) = ( 0.5000000 0.1131002 -0.0000000), wk = 0.0023148
k( 57) = ( 0.5000000 0.1244102 -0.0000000), wk = 0.0023148
k( 58) = ( 0.5000000 0.1357202 -0.0000000), wk = 0.0023148
k( 59) = ( 0.5000000 0.1470303 -0.0000000), wk = 0.0023148
k( 60) = ( 0.5000000 0.1583403 -0.0000000), wk = 0.0023148
k( 61) = ( 0.5000000 0.1696503 -0.0000000), wk = 0.0023148
k( 62) = ( 0.5000000 0.1809603 -0.0000000), wk = 0.0023148
k( 63) = ( 0.5000000 0.1922703 -0.0000000), wk = 0.0023148
k( 64) = ( 0.5000000 0.2035803 -0.0000000), wk = 0.0023148
k( 65) = ( 0.5000000 0.2148904 -0.0000000), wk = 0.0023148
k( 66) = ( 0.5000000 0.2262004 -0.0000000), wk = 0.0023148
k( 67) = ( 0.5000000 0.2375104 -0.0000000), wk = 0.0023148
k( 68) = ( 0.5000000 0.2488204 -0.0000000), wk = 0.0023148
k( 69) = ( 0.5000000 0.2601304 -0.0000000), wk = 0.0023148
k( 70) = ( 0.5000000 0.2714405 -0.0000000), wk = 0.0023148
k( 71) = ( 0.5000000 0.2827505 -0.0000000), wk = 0.0023148
k( 72) = ( 0.5000000 0.2940605 -0.0000000), wk = 0.0023148
k( 73) = ( 0.5000000 0.3053705 -0.0000000), wk = 0.0023148
k( 74) = ( 0.5000000 0.3166805 -0.0000000), wk = 0.0023148
k( 75) = ( 0.5000000 0.3279906 -0.0000000), wk = 0.0023148
k( 76) = ( 0.5000000 0.3393006 -0.0000000), wk = 0.0023148
k( 77) = ( 0.5000000 0.3506106 -0.0000000), wk = 0.0023148
k( 78) = ( 0.5000000 0.3619206 -0.0000000), wk = 0.0023148
k( 79) = ( 0.5000000 0.3732306 -0.0000000), wk = 0.0023148
k( 80) = ( 0.5000000 0.3732306 -0.0000000), wk = 0.0023148
k( 81) = ( 0.4886364 0.3732306 -0.0000000), wk = 0.0023148
k( 82) = ( 0.4772727 0.3732306 -0.0000000), wk = 0.0023148
k( 83) = ( 0.4659091 0.3732306 -0.0000000), wk = 0.0023148
k( 84) = ( 0.4545455 0.3732306 -0.0000000), wk = 0.0023148
k( 85) = ( 0.4431818 0.3732306 -0.0000000), wk = 0.0023148
k( 86) = ( 0.4318182 0.3732306 -0.0000000), wk = 0.0023148
k( 87) = ( 0.4204545 0.3732306 -0.0000000), wk = 0.0023148
k( 88) = ( 0.4090909 0.3732306 -0.0000000), wk = 0.0023148
k( 89) = ( 0.3977273 0.3732306 -0.0000000), wk = 0.0023148
k( 90) = ( 0.3863636 0.3732306 -0.0000000), wk = 0.0023148
k( 91) = ( 0.3750000 0.3732306 -0.0000000), wk = 0.0023148
k( 92) = ( 0.3636364 0.3732306 -0.0000000), wk = 0.0023148
k( 93) = ( 0.3522727 0.3732306 -0.0000000), wk = 0.0023148
k( 94) = ( 0.3409091 0.3732306 -0.0000000), wk = 0.0023148
k( 95) = ( 0.3295455 0.3732306 -0.0000000), wk = 0.0023148
k( 96) = ( 0.3181818 0.3732306 -0.0000000), wk = 0.0023148
k( 97) = ( 0.3068182 0.3732306 -0.0000000), wk = 0.0023148
k( 98) = ( 0.2954545 0.3732306 -0.0000000), wk = 0.0023148
k( 99) = ( 0.2840909 0.3732306 -0.0000000), wk = 0.0023148
k( 100) = ( 0.2727273 0.3732306 -0.0000000), wk = 0.0023148
k( 101) = ( 0.2613636 0.3732306 -0.0000000), wk = 0.0023148
k( 102) = ( 0.2500000 0.3732306 -0.0000000), wk = 0.0023148
k( 103) = ( 0.2386364 0.3732306 -0.0000000), wk = 0.0023148
k( 104) = ( 0.2272727 0.3732306 -0.0000000), wk = 0.0023148
k( 105) = ( 0.2159091 0.3732306 -0.0000000), wk = 0.0023148
k( 106) = ( 0.2045454 0.3732306 -0.0000000), wk = 0.0023148
k( 107) = ( 0.1931818 0.3732306 -0.0000000), wk = 0.0023148
k( 108) = ( 0.1818182 0.3732306 -0.0000000), wk = 0.0023148
k( 109) = ( 0.1704546 0.3732306 -0.0000000), wk = 0.0023148
k( 110) = ( 0.1590909 0.3732306 -0.0000000), wk = 0.0023148
k( 111) = ( 0.1477273 0.3732306 -0.0000000), wk = 0.0023148
k( 112) = ( 0.1363636 0.3732306 -0.0000000), wk = 0.0023148
k( 113) = ( 0.1250000 0.3732306 -0.0000000), wk = 0.0023148
k( 114) = ( 0.1136364 0.3732306 -0.0000000), wk = 0.0023148
k( 115) = ( 0.1022727 0.3732306 -0.0000000), wk = 0.0023148
k( 116) = ( 0.0909091 0.3732306 -0.0000000), wk = 0.0023148
k( 117) = ( 0.0795455 0.3732306 -0.0000000), wk = 0.0023148
k( 118) = ( 0.0681818 0.3732306 -0.0000000), wk = 0.0023148
k( 119) = ( 0.0568182 0.3732306 -0.0000000), wk = 0.0023148
k( 120) = ( 0.0454546 0.3732306 -0.0000000), wk = 0.0023148
k( 121) = ( 0.0340909 0.3732306 -0.0000000), wk = 0.0023148
k( 122) = ( 0.0227273 0.3732306 -0.0000000), wk = 0.0023148
k( 123) = ( 0.0113636 0.3732306 -0.0000000), wk = 0.0023148
k( 124) = ( 0.0000000 0.3732306 -0.0000000), wk = 0.0023148
k( 125) = ( 0.0000000 0.3732306 -0.0000000), wk = 0.0023148
k( 126) = ( 0.0000000 0.3619206 -0.0000000), wk = 0.0023148
k( 127) = ( 0.0000000 0.3506106 -0.0000000), wk = 0.0023148
k( 128) = ( 0.0000000 0.3393006 -0.0000000), wk = 0.0023148
k( 129) = ( 0.0000000 0.3279906 -0.0000000), wk = 0.0023148
k( 130) = ( 0.0000000 0.3166805 -0.0000000), wk = 0.0023148
k( 131) = ( 0.0000000 0.3053705 -0.0000000), wk = 0.0023148
k( 132) = ( 0.0000000 0.2940605 -0.0000000), wk = 0.0023148
k( 133) = ( 0.0000000 0.2827505 -0.0000000), wk = 0.0023148
k( 134) = ( 0.0000000 0.2714405 -0.0000000), wk = 0.0023148
k( 135) = ( 0.0000000 0.2601304 -0.0000000), wk = 0.0023148
k( 136) = ( 0.0000000 0.2488204 -0.0000000), wk = 0.0023148
k( 137) = ( 0.0000000 0.2375104 -0.0000000), wk = 0.0023148
k( 138) = ( 0.0000000 0.2262004 -0.0000000), wk = 0.0023148
k( 139) = ( 0.0000000 0.2148904 -0.0000000), wk = 0.0023148
k( 140) = ( 0.0000000 0.2035803 -0.0000000), wk = 0.0023148
k( 141) = ( 0.0000000 0.1922703 -0.0000000), wk = 0.0023148
k( 142) = ( 0.0000000 0.1809603 -0.0000000), wk = 0.0023148
k( 143) = ( 0.0000000 0.1696503 -0.0000000), wk = 0.0023148
k( 144) = ( 0.0000000 0.1583403 -0.0000000), wk = 0.0023148
k( 145) = ( 0.0000000 0.1470303 -0.0000000), wk = 0.0023148
k( 146) = ( 0.0000000 0.1357202 -0.0000000), wk = 0.0023148
k( 147) = ( 0.0000000 0.1244102 -0.0000000), wk = 0.0023148
k( 148) = ( 0.0000000 0.1131002 -0.0000000), wk = 0.0023148
k( 149) = ( 0.0000000 0.1017902 -0.0000000), wk = 0.0023148
k( 150) = ( 0.0000000 0.0904802 -0.0000000), wk = 0.0023148
k( 151) = ( 0.0000000 0.0791701 -0.0000000), wk = 0.0023148
k( 152) = ( 0.0000000 0.0678601 -0.0000000), wk = 0.0023148
k( 153) = ( 0.0000000 0.0565501 -0.0000000), wk = 0.0023148
k( 154) = ( 0.0000000 0.0452401 -0.0000000), wk = 0.0023148
k( 155) = ( 0.0000000 0.0339301 -0.0000000), wk = 0.0023148
k( 156) = ( 0.0000000 0.0226200 -0.0000000), wk = 0.0023148
k( 157) = ( 0.0000000 0.0113100 -0.0000000), wk = 0.0023148
k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 160) = ( 0.0000000 0.0000000 0.0110712), wk = 0.0023148
k( 161) = ( 0.0000000 0.0000000 0.0221424), wk = 0.0023148
k( 162) = ( 0.0000000 0.0000000 0.0332135), wk = 0.0023148
k( 163) = ( 0.0000000 0.0000000 0.0442847), wk = 0.0023148
k( 164) = ( 0.0000000 0.0000000 0.0553559), wk = 0.0023148
k( 165) = ( 0.0000000 0.0000000 0.0664271), wk = 0.0023148
k( 166) = ( 0.0000000 0.0000000 0.0774983), wk = 0.0023148
k( 167) = ( 0.0000000 0.0000000 0.0885695), wk = 0.0023148
k( 168) = ( 0.0000000 0.0000000 0.0996406), wk = 0.0023148
k( 169) = ( 0.0000000 0.0000000 0.1107118), wk = 0.0023148
k( 170) = ( 0.0000000 0.0000000 0.1217830), wk = 0.0023148
k( 171) = ( 0.0000000 0.0000000 0.1328542), wk = 0.0023148
k( 172) = ( 0.0000000 0.0000000 0.1439254), wk = 0.0023148
k( 173) = ( 0.0000000 0.0000000 0.1549965), wk = 0.0023148
k( 174) = ( 0.0000000 0.0000000 0.1660677), wk = 0.0023148
k( 175) = ( 0.0000000 0.0000000 0.1771389), wk = 0.0023148
k( 176) = ( 0.0000000 0.0000000 0.1882101), wk = 0.0023148
k( 177) = ( 0.0000000 0.0000000 0.1992813), wk = 0.0023148
k( 178) = ( 0.0000000 0.0000000 0.2103524), wk = 0.0023148
k( 179) = ( 0.0000000 0.0000000 0.2214236), wk = 0.0023148
k( 180) = ( 0.0000000 0.0000000 0.2324948), wk = 0.0023148
k( 181) = ( 0.0000000 0.0000000 0.2435660), wk = 0.0023148
k( 182) = ( 0.0000000 0.0000000 0.2546372), wk = 0.0023148
k( 183) = ( 0.0000000 0.0000000 0.2657084), wk = 0.0023148
k( 184) = ( 0.0000000 0.0000000 0.2767795), wk = 0.0023148
k( 185) = ( 0.0000000 0.0000000 0.2878507), wk = 0.0023148
k( 186) = ( 0.0000000 0.0000000 0.2989219), wk = 0.0023148
k( 187) = ( 0.0000000 0.0000000 0.3099931), wk = 0.0023148
k( 188) = ( 0.0000000 0.0000000 0.3099931), wk = 0.0023148
k( 189) = ( 0.0113636 -0.0000000 0.3099931), wk = 0.0023148
k( 190) = ( 0.0227273 -0.0000000 0.3099931), wk = 0.0023148
k( 191) = ( 0.0340909 -0.0000000 0.3099931), wk = 0.0023148
k( 192) = ( 0.0454546 -0.0000000 0.3099931), wk = 0.0023148
k( 193) = ( 0.0568182 -0.0000000 0.3099931), wk = 0.0023148
k( 194) = ( 0.0681818 -0.0000000 0.3099931), wk = 0.0023148
k( 195) = ( 0.0795455 -0.0000000 0.3099931), wk = 0.0023148
k( 196) = ( 0.0909091 -0.0000000 0.3099931), wk = 0.0023148
k( 197) = ( 0.1022727 -0.0000000 0.3099931), wk = 0.0023148
k( 198) = ( 0.1136364 -0.0000000 0.3099931), wk = 0.0023148
k( 199) = ( 0.1250000 -0.0000000 0.3099931), wk = 0.0023148
k( 200) = ( 0.1363636 -0.0000000 0.3099931), wk = 0.0023148
k( 201) = ( 0.1477273 -0.0000000 0.3099931), wk = 0.0023148
k( 202) = ( 0.1590909 -0.0000000 0.3099931), wk = 0.0023148
k( 203) = ( 0.1704546 -0.0000000 0.3099931), wk = 0.0023148
k( 204) = ( 0.1818182 -0.0000000 0.3099931), wk = 0.0023148
k( 205) = ( 0.1931818 -0.0000000 0.3099931), wk = 0.0023148
k( 206) = ( 0.2045454 -0.0000000 0.3099931), wk = 0.0023148
k( 207) = ( 0.2159091 -0.0000000 0.3099931), wk = 0.0023148
k( 208) = ( 0.2272727 -0.0000000 0.3099931), wk = 0.0023148
k( 209) = ( 0.2386364 -0.0000000 0.3099931), wk = 0.0023148
k( 210) = ( 0.2500000 -0.0000000 0.3099931), wk = 0.0023148
k( 211) = ( 0.2613636 -0.0000000 0.3099931), wk = 0.0023148
k( 212) = ( 0.2727273 -0.0000000 0.3099931), wk = 0.0023148
k( 213) = ( 0.2840909 -0.0000000 0.3099931), wk = 0.0023148
k( 214) = ( 0.2954545 -0.0000000 0.3099931), wk = 0.0023148
k( 215) = ( 0.3068182 -0.0000000 0.3099931), wk = 0.0023148
k( 216) = ( 0.3181818 -0.0000000 0.3099931), wk = 0.0023148
k( 217) = ( 0.3295455 -0.0000000 0.3099931), wk = 0.0023148
k( 218) = ( 0.3409091 -0.0000000 0.3099931), wk = 0.0023148
k( 219) = ( 0.3522727 -0.0000000 0.3099931), wk = 0.0023148
k( 220) = ( 0.3636364 -0.0000000 0.3099931), wk = 0.0023148
k( 221) = ( 0.3750000 -0.0000000 0.3099931), wk = 0.0023148
k( 222) = ( 0.3863636 -0.0000000 0.3099931), wk = 0.0023148
k( 223) = ( 0.3977273 -0.0000000 0.3099931), wk = 0.0023148
k( 224) = ( 0.4090909 -0.0000000 0.3099931), wk = 0.0023148
k( 225) = ( 0.4204545 -0.0000000 0.3099931), wk = 0.0023148
k( 226) = ( 0.4318182 -0.0000000 0.3099931), wk = 0.0023148
k( 227) = ( 0.4431818 -0.0000000 0.3099931), wk = 0.0023148
k( 228) = ( 0.4545455 -0.0000000 0.3099931), wk = 0.0023148
k( 229) = ( 0.4659091 -0.0000000 0.3099931), wk = 0.0023148
k( 230) = ( 0.4772727 -0.0000000 0.3099931), wk = 0.0023148
k( 231) = ( 0.4886364 -0.0000000 0.3099931), wk = 0.0023148
k( 232) = ( 0.5000000 -0.0000000 0.3099931), wk = 0.0023148
k( 233) = ( 0.5000000 -0.0000000 0.3099931), wk = 0.0023148
k( 234) = ( 0.5000000 0.0113100 0.3099931), wk = 0.0023148
k( 235) = ( 0.5000000 0.0226200 0.3099931), wk = 0.0023148
k( 236) = ( 0.5000000 0.0339301 0.3099931), wk = 0.0023148
k( 237) = ( 0.5000000 0.0452401 0.3099931), wk = 0.0023148
k( 238) = ( 0.5000000 0.0565501 0.3099931), wk = 0.0023148
k( 239) = ( 0.5000000 0.0678601 0.3099931), wk = 0.0023148
k( 240) = ( 0.5000000 0.0791701 0.3099931), wk = 0.0023148
k( 241) = ( 0.5000000 0.0904802 0.3099931), wk = 0.0023148
k( 242) = ( 0.5000000 0.1017902 0.3099931), wk = 0.0023148
k( 243) = ( 0.5000000 0.1131002 0.3099931), wk = 0.0023148
k( 244) = ( 0.5000000 0.1244102 0.3099931), wk = 0.0023148
k( 245) = ( 0.5000000 0.1357202 0.3099931), wk = 0.0023148
k( 246) = ( 0.5000000 0.1470303 0.3099931), wk = 0.0023148
k( 247) = ( 0.5000000 0.1583403 0.3099931), wk = 0.0023148
k( 248) = ( 0.5000000 0.1696503 0.3099931), wk = 0.0023148
k( 249) = ( 0.5000000 0.1809603 0.3099931), wk = 0.0023148
k( 250) = ( 0.5000000 0.1922703 0.3099931), wk = 0.0023148
k( 251) = ( 0.5000000 0.2035803 0.3099931), wk = 0.0023148
k( 252) = ( 0.5000000 0.2148904 0.3099931), wk = 0.0023148
k( 253) = ( 0.5000000 0.2262004 0.3099931), wk = 0.0023148
k( 254) = ( 0.5000000 0.2375104 0.3099931), wk = 0.0023148
k( 255) = ( 0.5000000 0.2488204 0.3099931), wk = 0.0023148
k( 256) = ( 0.5000000 0.2601304 0.3099931), wk = 0.0023148
k( 257) = ( 0.5000000 0.2714405 0.3099931), wk = 0.0023148
k( 258) = ( 0.5000000 0.2827505 0.3099931), wk = 0.0023148
k( 259) = ( 0.5000000 0.2940605 0.3099931), wk = 0.0023148
k( 260) = ( 0.5000000 0.3053705 0.3099931), wk = 0.0023148
k( 261) = ( 0.5000000 0.3166805 0.3099931), wk = 0.0023148
k( 262) = ( 0.5000000 0.3279906 0.3099931), wk = 0.0023148
k( 263) = ( 0.5000000 0.3393006 0.3099931), wk = 0.0023148
k( 264) = ( 0.5000000 0.3506106 0.3099931), wk = 0.0023148
k( 265) = ( 0.5000000 0.3619206 0.3099931), wk = 0.0023148
k( 266) = ( 0.5000000 0.3732306 0.3099931), wk = 0.0023148
k( 267) = ( 0.5000000 0.3732306 0.3099931), wk = 0.0023148
k( 268) = ( 0.4886364 0.3732306 0.3099931), wk = 0.0023148
k( 269) = ( 0.4772727 0.3732306 0.3099931), wk = 0.0023148
k( 270) = ( 0.4659091 0.3732306 0.3099931), wk = 0.0023148
k( 271) = ( 0.4545455 0.3732306 0.3099931), wk = 0.0023148
k( 272) = ( 0.4431818 0.3732306 0.3099931), wk = 0.0023148
k( 273) = ( 0.4318182 0.3732306 0.3099931), wk = 0.0023148
k( 274) = ( 0.4204545 0.3732306 0.3099931), wk = 0.0023148
k( 275) = ( 0.4090909 0.3732306 0.3099931), wk = 0.0023148
k( 276) = ( 0.3977273 0.3732306 0.3099931), wk = 0.0023148
k( 277) = ( 0.3863636 0.3732306 0.3099931), wk = 0.0023148
k( 278) = ( 0.3750000 0.3732306 0.3099931), wk = 0.0023148
k( 279) = ( 0.3636364 0.3732306 0.3099931), wk = 0.0023148
k( 280) = ( 0.3522727 0.3732306 0.3099931), wk = 0.0023148
k( 281) = ( 0.3409091 0.3732306 0.3099931), wk = 0.0023148
k( 282) = ( 0.3295455 0.3732306 0.3099931), wk = 0.0023148
k( 283) = ( 0.3181818 0.3732306 0.3099931), wk = 0.0023148
k( 284) = ( 0.3068182 0.3732306 0.3099931), wk = 0.0023148
k( 285) = ( 0.2954545 0.3732306 0.3099931), wk = 0.0023148
k( 286) = ( 0.2840909 0.3732306 0.3099931), wk = 0.0023148
k( 287) = ( 0.2727273 0.3732306 0.3099931), wk = 0.0023148
k( 288) = ( 0.2613636 0.3732306 0.3099931), wk = 0.0023148
k( 289) = ( 0.2500000 0.3732306 0.3099931), wk = 0.0023148
k( 290) = ( 0.2386364 0.3732306 0.3099931), wk = 0.0023148
k( 291) = ( 0.2272727 0.3732306 0.3099931), wk = 0.0023148
k( 292) = ( 0.2159091 0.3732306 0.3099931), wk = 0.0023148
k( 293) = ( 0.2045454 0.3732306 0.3099931), wk = 0.0023148
k( 294) = ( 0.1931818 0.3732306 0.3099931), wk = 0.0023148
k( 295) = ( 0.1818182 0.3732306 0.3099931), wk = 0.0023148
k( 296) = ( 0.1704546 0.3732306 0.3099931), wk = 0.0023148
k( 297) = ( 0.1590909 0.3732306 0.3099931), wk = 0.0023148
k( 298) = ( 0.1477273 0.3732306 0.3099931), wk = 0.0023148
k( 299) = ( 0.1363636 0.3732306 0.3099931), wk = 0.0023148
k( 300) = ( 0.1250000 0.3732306 0.3099931), wk = 0.0023148
k( 301) = ( 0.1136364 0.3732306 0.3099931), wk = 0.0023148
k( 302) = ( 0.1022727 0.3732306 0.3099931), wk = 0.0023148
k( 303) = ( 0.0909091 0.3732306 0.3099931), wk = 0.0023148
k( 304) = ( 0.0795455 0.3732306 0.3099931), wk = 0.0023148
k( 305) = ( 0.0681818 0.3732306 0.3099931), wk = 0.0023148
k( 306) = ( 0.0568182 0.3732306 0.3099931), wk = 0.0023148
k( 307) = ( 0.0454546 0.3732306 0.3099931), wk = 0.0023148
k( 308) = ( 0.0340909 0.3732306 0.3099931), wk = 0.0023148
k( 309) = ( 0.0227273 0.3732306 0.3099931), wk = 0.0023148
k( 310) = ( 0.0113636 0.3732306 0.3099931), wk = 0.0023148
k( 311) = ( 0.0000000 0.3732306 0.3099931), wk = 0.0023148
k( 312) = ( 0.0000000 0.3732306 0.3099931), wk = 0.0023148
k( 313) = ( 0.0000000 0.3619206 0.3099931), wk = 0.0023148
k( 314) = ( 0.0000000 0.3506106 0.3099931), wk = 0.0023148
k( 315) = ( 0.0000000 0.3393006 0.3099931), wk = 0.0023148
k( 316) = ( 0.0000000 0.3279906 0.3099931), wk = 0.0023148
k( 317) = ( 0.0000000 0.3166805 0.3099931), wk = 0.0023148
k( 318) = ( 0.0000000 0.3053705 0.3099931), wk = 0.0023148
k( 319) = ( 0.0000000 0.2940605 0.3099931), wk = 0.0023148
k( 320) = ( 0.0000000 0.2827505 0.3099931), wk = 0.0023148
k( 321) = ( 0.0000000 0.2714405 0.3099931), wk = 0.0023148
k( 322) = ( 0.0000000 0.2601304 0.3099931), wk = 0.0023148
k( 323) = ( 0.0000000 0.2488204 0.3099931), wk = 0.0023148
k( 324) = ( 0.0000000 0.2375104 0.3099931), wk = 0.0023148
k( 325) = ( 0.0000000 0.2262004 0.3099931), wk = 0.0023148
k( 326) = ( 0.0000000 0.2148904 0.3099931), wk = 0.0023148
k( 327) = ( 0.0000000 0.2035803 0.3099931), wk = 0.0023148
k( 328) = ( 0.0000000 0.1922703 0.3099931), wk = 0.0023148
k( 329) = ( 0.0000000 0.1809603 0.3099931), wk = 0.0023148
k( 330) = ( 0.0000000 0.1696503 0.3099931), wk = 0.0023148
k( 331) = ( 0.0000000 0.1583403 0.3099931), wk = 0.0023148
k( 332) = ( 0.0000000 0.1470303 0.3099931), wk = 0.0023148
k( 333) = ( 0.0000000 0.1357202 0.3099931), wk = 0.0023148
k( 334) = ( 0.0000000 0.1244102 0.3099931), wk = 0.0023148
k( 335) = ( 0.0000000 0.1131002 0.3099931), wk = 0.0023148
k( 336) = ( 0.0000000 0.1017902 0.3099931), wk = 0.0023148
k( 337) = ( 0.0000000 0.0904802 0.3099931), wk = 0.0023148
k( 338) = ( 0.0000000 0.0791701 0.3099931), wk = 0.0023148
k( 339) = ( 0.0000000 0.0678601 0.3099931), wk = 0.0023148
k( 340) = ( 0.0000000 0.0565501 0.3099931), wk = 0.0023148
k( 341) = ( 0.0000000 0.0452401 0.3099931), wk = 0.0023148
k( 342) = ( 0.0000000 0.0339301 0.3099931), wk = 0.0023148
k( 343) = ( 0.0000000 0.0226200 0.3099931), wk = 0.0023148
k( 344) = ( 0.0000000 0.0113100 0.3099931), wk = 0.0023148
k( 345) = ( 0.0000000 0.0000000 0.3099931), wk = 0.0023148
k( 346) = ( 0.0000000 0.3732306 -0.0000000), wk = 0.0023148
k( 347) = ( 0.0000000 0.3732306 0.0110712), wk = 0.0023148
k( 348) = ( 0.0000000 0.3732306 0.0221424), wk = 0.0023148
k( 349) = ( 0.0000000 0.3732306 0.0332135), wk = 0.0023148
k( 350) = ( 0.0000000 0.3732306 0.0442847), wk = 0.0023148
k( 351) = ( 0.0000000 0.3732306 0.0553559), wk = 0.0023148
k( 352) = ( 0.0000000 0.3732306 0.0664271), wk = 0.0023148
k( 353) = ( 0.0000000 0.3732306 0.0774983), wk = 0.0023148
k( 354) = ( 0.0000000 0.3732306 0.0885695), wk = 0.0023148
k( 355) = ( 0.0000000 0.3732306 0.0996406), wk = 0.0023148
k( 356) = ( 0.0000000 0.3732306 0.1107118), wk = 0.0023148
k( 357) = ( 0.0000000 0.3732306 0.1217830), wk = 0.0023148
k( 358) = ( 0.0000000 0.3732306 0.1328542), wk = 0.0023148
k( 359) = ( 0.0000000 0.3732306 0.1439254), wk = 0.0023148
k( 360) = ( 0.0000000 0.3732306 0.1549965), wk = 0.0023148
k( 361) = ( 0.0000000 0.3732306 0.1660677), wk = 0.0023148
k( 362) = ( 0.0000000 0.3732306 0.1771389), wk = 0.0023148
k( 363) = ( 0.0000000 0.3732306 0.1882101), wk = 0.0023148
k( 364) = ( 0.0000000 0.3732306 0.1992813), wk = 0.0023148
k( 365) = ( 0.0000000 0.3732306 0.2103524), wk = 0.0023148
k( 366) = ( 0.0000000 0.3732306 0.2214236), wk = 0.0023148
k( 367) = ( 0.0000000 0.3732306 0.2324948), wk = 0.0023148
k( 368) = ( 0.0000000 0.3732306 0.2435660), wk = 0.0023148
k( 369) = ( 0.0000000 0.3732306 0.2546372), wk = 0.0023148
k( 370) = ( 0.0000000 0.3732306 0.2657084), wk = 0.0023148
k( 371) = ( 0.0000000 0.3732306 0.2767795), wk = 0.0023148
k( 372) = ( 0.0000000 0.3732306 0.2878507), wk = 0.0023148
k( 373) = ( 0.0000000 0.3732306 0.2989219), wk = 0.0023148
k( 374) = ( 0.0000000 0.3732306 0.3099931), wk = 0.0023148
k( 375) = ( 0.5000000 -0.0000000 0.3099931), wk = 0.0023148
k( 376) = ( 0.5000000 -0.0000000 0.2989219), wk = 0.0023148
k( 377) = ( 0.5000000 -0.0000000 0.2878507), wk = 0.0023148
k( 378) = ( 0.5000000 -0.0000000 0.2767795), wk = 0.0023148
k( 379) = ( 0.5000000 -0.0000000 0.2657084), wk = 0.0023148
k( 380) = ( 0.5000000 -0.0000000 0.2546372), wk = 0.0023148
k( 381) = ( 0.5000000 -0.0000000 0.2435660), wk = 0.0023148
k( 382) = ( 0.5000000 -0.0000000 0.2324948), wk = 0.0023148
k( 383) = ( 0.5000000 -0.0000000 0.2214236), wk = 0.0023148
k( 384) = ( 0.5000000 -0.0000000 0.2103524), wk = 0.0023148
k( 385) = ( 0.5000000 -0.0000000 0.1992813), wk = 0.0023148
k( 386) = ( 0.5000000 -0.0000000 0.1882101), wk = 0.0023148
k( 387) = ( 0.5000000 -0.0000000 0.1771389), wk = 0.0023148
k( 388) = ( 0.5000000 -0.0000000 0.1660677), wk = 0.0023148
k( 389) = ( 0.5000000 -0.0000000 0.1549965), wk = 0.0023148
k( 390) = ( 0.5000000 -0.0000000 0.1439254), wk = 0.0023148
k( 391) = ( 0.5000000 -0.0000000 0.1328542), wk = 0.0023148
k( 392) = ( 0.5000000 -0.0000000 0.1217830), wk = 0.0023148
k( 393) = ( 0.5000000 -0.0000000 0.1107118), wk = 0.0023148
k( 394) = ( 0.5000000 -0.0000000 0.0996406), wk = 0.0023148
k( 395) = ( 0.5000000 -0.0000000 0.0885695), wk = 0.0023148
k( 396) = ( 0.5000000 -0.0000000 0.0774983), wk = 0.0023148
k( 397) = ( 0.5000000 -0.0000000 0.0664271), wk = 0.0023148
k( 398) = ( 0.5000000 -0.0000000 0.0553559), wk = 0.0023148
k( 399) = ( 0.5000000 -0.0000000 0.0442847), wk = 0.0023148
k( 400) = ( 0.5000000 -0.0000000 0.0332135), wk = 0.0023148
k( 401) = ( 0.5000000 -0.0000000 0.0221424), wk = 0.0023148
k( 402) = ( 0.5000000 -0.0000000 0.0110712), wk = 0.0023148
k( 403) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148
k( 404) = ( 0.5000000 0.3732306 -0.0000000), wk = 0.0023148
k( 405) = ( 0.5000000 0.3732306 0.0110712), wk = 0.0023148
k( 406) = ( 0.5000000 0.3732306 0.0221424), wk = 0.0023148
k( 407) = ( 0.5000000 0.3732306 0.0332135), wk = 0.0023148
k( 408) = ( 0.5000000 0.3732306 0.0442847), wk = 0.0023148
k( 409) = ( 0.5000000 0.3732306 0.0553559), wk = 0.0023148
k( 410) = ( 0.5000000 0.3732306 0.0664271), wk = 0.0023148
k( 411) = ( 0.5000000 0.3732306 0.0774983), wk = 0.0023148
k( 412) = ( 0.5000000 0.3732306 0.0885695), wk = 0.0023148
k( 413) = ( 0.5000000 0.3732306 0.0996406), wk = 0.0023148
k( 414) = ( 0.5000000 0.3732306 0.1107118), wk = 0.0023148
k( 415) = ( 0.5000000 0.3732306 0.1217830), wk = 0.0023148
k( 416) = ( 0.5000000 0.3732306 0.1328542), wk = 0.0023148
k( 417) = ( 0.5000000 0.3732306 0.1439254), wk = 0.0023148
k( 418) = ( 0.5000000 0.3732306 0.1549965), wk = 0.0023148
k( 419) = ( 0.5000000 0.3732306 0.1660677), wk = 0.0023148
k( 420) = ( 0.5000000 0.3732306 0.1771389), wk = 0.0023148
k( 421) = ( 0.5000000 0.3732306 0.1882101), wk = 0.0023148
k( 422) = ( 0.5000000 0.3732306 0.1992813), wk = 0.0023148
k( 423) = ( 0.5000000 0.3732306 0.2103524), wk = 0.0023148
k( 424) = ( 0.5000000 0.3732306 0.2214236), wk = 0.0023148
k( 425) = ( 0.5000000 0.3732306 0.2324948), wk = 0.0023148
k( 426) = ( 0.5000000 0.3732306 0.2435660), wk = 0.0023148
k( 427) = ( 0.5000000 0.3732306 0.2546372), wk = 0.0023148
k( 428) = ( 0.5000000 0.3732306 0.2657084), wk = 0.0023148
k( 429) = ( 0.5000000 0.3732306 0.2767795), wk = 0.0023148
k( 430) = ( 0.5000000 0.3732306 0.2878507), wk = 0.0023148
k( 431) = ( 0.5000000 0.3732306 0.2989219), wk = 0.0023148
k( 432) = ( 0.5000000 0.3732306 0.3099931), wk = 0.0023148
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0023148
k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0023148
k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0023148
k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0023148
k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0023148
k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0023148
k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0023148
k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0023148
k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0023148
k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0023148
k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0023148
k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0023148
k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0023148
k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0023148
k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0023148
k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0023148
k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0023148
k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0023148
k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0023148
k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0023148
k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0023148
k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0023148
k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0023148
k( 25) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0023148
k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0023148
k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0023148
k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0023148
k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0023148
k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0023148
k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0023148
k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0023148
k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0023148
k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0023148
k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0023148
k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0023148
k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0023148
k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0023148
k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0023148
k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0023148
k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0023148
k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0023148
k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0023148
k( 44) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0023148
k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148
k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148
k( 47) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0023148
k( 48) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0023148
k( 49) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0023148
k( 50) = ( 0.5000000 0.0606061 0.0000000), wk = 0.0023148
k( 51) = ( 0.5000000 0.0757576 -0.0000000), wk = 0.0023148
k( 52) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0023148
k( 53) = ( 0.5000000 0.1060606 -0.0000000), wk = 0.0023148
k( 54) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0023148
k( 55) = ( 0.5000000 0.1363636 -0.0000000), wk = 0.0023148
k( 56) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0023148
k( 57) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023148
k( 58) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0023148
k( 59) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0023148
k( 60) = ( 0.5000000 0.2121212 -0.0000000), wk = 0.0023148
k( 61) = ( 0.5000000 0.2272727 0.0000000), wk = 0.0023148
k( 62) = ( 0.5000000 0.2424242 -0.0000000), wk = 0.0023148
k( 63) = ( 0.5000000 0.2575758 0.0000000), wk = 0.0023148
k( 64) = ( 0.5000000 0.2727273 -0.0000000), wk = 0.0023148
k( 65) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0023148
k( 66) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0023148
k( 67) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0023148
k( 68) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0023148
k( 69) = ( 0.5000000 0.3484849 0.0000000), wk = 0.0023148
k( 70) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0023148
k( 71) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0023148
k( 72) = ( 0.5000000 0.3939394 -0.0000000), wk = 0.0023148
k( 73) = ( 0.5000000 0.4090909 0.0000000), wk = 0.0023148
k( 74) = ( 0.5000000 0.4242424 -0.0000000), wk = 0.0023148
k( 75) = ( 0.5000000 0.4393939 -0.0000000), wk = 0.0023148
k( 76) = ( 0.5000000 0.4545455 0.0000000), wk = 0.0023148
k( 77) = ( 0.5000000 0.4696970 0.0000000), wk = 0.0023148
k( 78) = ( 0.5000000 0.4848485 0.0000000), wk = 0.0023148
k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023148
k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023148
k( 81) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0023148
k( 82) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0023148
k( 83) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0023148
k( 84) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0023148
k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0023148
k( 86) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0023148
k( 87) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0023148
k( 88) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0023148
k( 89) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0023148
k( 90) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0023148
k( 91) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0023148
k( 92) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023148
k( 93) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0023148
k( 94) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0023148
k( 95) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0023148
k( 96) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0023148
k( 97) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0023148
k( 98) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0023148
k( 99) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0023148
k( 100) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023148
k( 101) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0023148
k( 102) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023148
k( 103) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0023148
k( 104) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023148
k( 105) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0023148
k( 106) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0023148
k( 107) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0023148
k( 108) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0023148
k( 109) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0023148
k( 110) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0023148
k( 111) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0023148
k( 112) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023148
k( 113) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0023148
k( 114) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0023148
k( 115) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0023148
k( 116) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0023148
k( 117) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0023148
k( 118) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0023148
k( 119) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0023148
k( 120) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023148
k( 121) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0023148
k( 122) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0023148
k( 123) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0023148
k( 124) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148
k( 125) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148
k( 126) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0023148
k( 127) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0023148
k( 128) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0023148
k( 129) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0023148
k( 130) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0023148
k( 131) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0023148
k( 132) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0023148
k( 133) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0023148
k( 134) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0023148
k( 135) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0023148
k( 136) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023148
k( 137) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0023148
k( 138) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0023148
k( 139) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0023148
k( 140) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0023148
k( 141) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0023148
k( 142) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0023148
k( 143) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0023148
k( 144) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0023148
k( 145) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0023148
k( 146) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0023148
k( 147) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023148
k( 148) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0023148
k( 149) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0023148
k( 150) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0023148
k( 151) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0023148
k( 152) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0023148
k( 153) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0023148
k( 154) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0023148
k( 155) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0023148
k( 156) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0023148
k( 157) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0023148
k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148
k( 160) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0023148
k( 161) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0023148
k( 162) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0023148
k( 163) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0023148
k( 164) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0023148
k( 165) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0023148
k( 166) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023148
k( 167) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0023148
k( 168) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0023148
k( 169) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0023148
k( 170) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0023148
k( 171) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0023148
k( 172) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0023148
k( 173) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023148
k( 174) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0023148
k( 175) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0023148
k( 176) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0023148
k( 177) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0023148
k( 178) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0023148
k( 179) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0023148
k( 180) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023148
k( 181) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0023148
k( 182) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0023148
k( 183) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0023148
k( 184) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0023148
k( 185) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0023148
k( 186) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0023148
k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148
k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148
k( 189) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0023148
k( 190) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0023148
k( 191) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0023148
k( 192) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0023148
k( 193) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0023148
k( 194) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0023148
k( 195) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0023148
k( 196) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0023148
k( 197) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0023148
k( 198) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0023148
k( 199) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023148
k( 200) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0023148
k( 201) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0023148
k( 202) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0023148
k( 203) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0023148
k( 204) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0023148
k( 205) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0023148
k( 206) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0023148
k( 207) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0023148
k( 208) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0023148
k( 209) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0023148
k( 210) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023148
k( 211) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0023148
k( 212) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0023148
k( 213) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0023148
k( 214) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0023148
k( 215) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0023148
k( 216) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0023148
k( 217) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0023148
k( 218) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0023148
k( 219) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0023148
k( 220) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0023148
k( 221) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023148
k( 222) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0023148
k( 223) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0023148
k( 224) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0023148
k( 225) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0023148
k( 226) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0023148
k( 227) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0023148
k( 228) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0023148
k( 229) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0023148
k( 230) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0023148
k( 231) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0023148
k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148
k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148
k( 234) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0023148
k( 235) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0023148
k( 236) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0023148
k( 237) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0023148
k( 238) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0023148
k( 239) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0023148
k( 240) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0023148
k( 241) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0023148
k( 242) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0023148
k( 243) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0023148
k( 244) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023148
k( 245) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0023148
k( 246) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0023148
k( 247) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0023148
k( 248) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0023148
k( 249) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0023148
k( 250) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0023148
k( 251) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0023148
k( 252) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0023148
k( 253) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0023148
k( 254) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0023148
k( 255) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023148
k( 256) = ( 0.5000000 0.3484849 0.5000000), wk = 0.0023148
k( 257) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0023148
k( 258) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0023148
k( 259) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0023148
k( 260) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0023148
k( 261) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0023148
k( 262) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0023148
k( 263) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0023148
k( 264) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0023148
k( 265) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0023148
k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148
k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148
k( 268) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0023148
k( 269) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0023148
k( 270) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0023148
k( 271) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0023148
k( 272) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0023148
k( 273) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0023148
k( 274) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0023148
k( 275) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0023148
k( 276) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0023148
k( 277) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0023148
k( 278) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0023148
k( 279) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0023148
k( 280) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0023148
k( 281) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0023148
k( 282) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0023148
k( 283) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0023148
k( 284) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0023148
k( 285) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0023148
k( 286) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0023148
k( 287) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0023148
k( 288) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0023148
k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023148
k( 290) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0023148
k( 291) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0023148
k( 292) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0023148
k( 293) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0023148
k( 294) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0023148
k( 295) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0023148
k( 296) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0023148
k( 297) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0023148
k( 298) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0023148
k( 299) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0023148
k( 300) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0023148
k( 301) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0023148
k( 302) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0023148
k( 303) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0023148
k( 304) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0023148
k( 305) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0023148
k( 306) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0023148
k( 307) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0023148
k( 308) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0023148
k( 309) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0023148
k( 310) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0023148
k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148
k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148
k( 313) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0023148
k( 314) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0023148
k( 315) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0023148
k( 316) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0023148
k( 317) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0023148
k( 318) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0023148
k( 319) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0023148
k( 320) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0023148
k( 321) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0023148
k( 322) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0023148
k( 323) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023148
k( 324) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0023148
k( 325) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0023148
k( 326) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0023148
k( 327) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0023148
k( 328) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0023148
k( 329) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0023148
k( 330) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0023148
k( 331) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0023148
k( 332) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0023148
k( 333) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0023148
k( 334) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023148
k( 335) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0023148
k( 336) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0023148
k( 337) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0023148
k( 338) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0023148
k( 339) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0023148
k( 340) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0023148
k( 341) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0023148
k( 342) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0023148
k( 343) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0023148
k( 344) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0023148
k( 345) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148
k( 346) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148
k( 347) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0023148
k( 348) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0023148
k( 349) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0023148
k( 350) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0023148
k( 351) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0023148
k( 352) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0023148
k( 353) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023148
k( 354) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0023148
k( 355) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0023148
k( 356) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0023148
k( 357) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0023148
k( 358) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0023148
k( 359) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0023148
k( 360) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023148
k( 361) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0023148
k( 362) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0023148
k( 363) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0023148
k( 364) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0023148
k( 365) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0023148
k( 366) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0023148
k( 367) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023148
k( 368) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0023148
k( 369) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0023148
k( 370) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0023148
k( 371) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0023148
k( 372) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0023148
k( 373) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0023148
k( 374) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148
k( 375) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148
k( 376) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0023148
k( 377) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0023148
k( 378) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0023148
k( 379) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0023148
k( 380) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0023148
k( 381) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0023148
k( 382) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023148
k( 383) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0023148
k( 384) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0023148
k( 385) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0023148
k( 386) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0023148
k( 387) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0023148
k( 388) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0023148
k( 389) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023148
k( 390) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0023148
k( 391) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0023148
k( 392) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0023148
k( 393) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0023148
k( 394) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0023148
k( 395) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0023148
k( 396) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023148
k( 397) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0023148
k( 398) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0023148
k( 399) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0023148
k( 400) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0023148
k( 401) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0023148
k( 402) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0023148
k( 403) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148
k( 404) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023148
k( 405) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0023148
k( 406) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0023148
k( 407) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0023148
k( 408) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0023148
k( 409) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0023148
k( 410) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0023148
k( 411) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0023148
k( 412) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0023148
k( 413) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0023148
k( 414) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0023148
k( 415) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0023148
k( 416) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0023148
k( 417) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0023148
k( 418) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0023148
k( 419) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0023148
k( 420) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0023148
k( 421) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0023148
k( 422) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0023148
k( 423) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0023148
k( 424) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0023148
k( 425) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0023148
k( 426) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0023148
k( 427) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0023148
k( 428) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0023148
k( 429) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0023148
k( 430) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0023148
k( 431) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0023148
k( 432) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148
Dense grid: 41721 G-vectors FFT dimensions: ( 36, 45, 54)
Smooth grid: 28353 G-vectors FFT dimensions: ( 30, 40, 48)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48)
NL pseudopotentials 0.21 Mb ( 110, 124)
Each V/rho on FFT grid 0.05 Mb ( 3240)
Each G-vector array 0.01 Mb ( 1161)
G-vector shells 0.00 Mb ( 597)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.64 Mb ( 220, 192)
Each subspace H/S matrix 0.04 Mb ( 48, 48)
Each <psi_i|beta_j> matrix 0.18 Mb ( 124, 2, 48)
The potential is recalculated from file :
./FeSe2.save/charge-density.dat
Starting wfc are 68 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.8 secs
Computing kpt #: 2
total cpu time spent up to now is 2.2 secs
Computing kpt #: 3
total cpu time spent up to now is 2.5 secs
Computing kpt #: 4
total cpu time spent up to now is 2.8 secs
Computing kpt #: 5
total cpu time spent up to now is 3.2 secs
Computing kpt #: 6
total cpu time spent up to now is 3.5 secs
Computing kpt #: 7
total cpu time spent up to now is 3.8 secs
Computing kpt #: 8
total cpu time spent up to now is 4.2 secs
Computing kpt #: 9
total cpu time spent up to now is 4.5 secs
Computing kpt #: 10
total cpu time spent up to now is 4.8 secs
Computing kpt #: 11
total cpu time spent up to now is 5.2 secs
Computing kpt #: 12
total cpu time spent up to now is 5.5 secs
Computing kpt #: 13
total cpu time spent up to now is 5.8 secs
Computing kpt #: 14
total cpu time spent up to now is 6.2 secs
Computing kpt #: 15
total cpu time spent up to now is 6.5 secs
Computing kpt #: 16
total cpu time spent up to now is 6.8 secs
Computing kpt #: 17
total cpu time spent up to now is 7.2 secs
Computing kpt #: 18
total cpu time spent up to now is 7.5 secs
Computing kpt #: 19
total cpu time spent up to now is 7.8 secs
Computing kpt #: 20
total cpu time spent up to now is 8.2 secs
Computing kpt #: 21
total cpu time spent up to now is 8.5 secs
Computing kpt #: 22
total cpu time spent up to now is 8.9 secs
Computing kpt #: 23
total cpu time spent up to now is 9.2 secs
Computing kpt #: 24
total cpu time spent up to now is 9.5 secs
Computing kpt #: 25
total cpu time spent up to now is 9.9 secs
Computing kpt #: 26
total cpu time spent up to now is 10.2 secs
Computing kpt #: 27
total cpu time spent up to now is 10.6 secs
Computing kpt #: 28
total cpu time spent up to now is 10.9 secs
Computing kpt #: 29
total cpu time spent up to now is 11.3 secs
Computing kpt #: 30
total cpu time spent up to now is 11.6 secs
Computing kpt #: 31
total cpu time spent up to now is 12.0 secs
Computing kpt #: 32
total cpu time spent up to now is 12.4 secs
Computing kpt #: 33
total cpu time spent up to now is 12.7 secs
Computing kpt #: 34
total cpu time spent up to now is 13.1 secs
Computing kpt #: 35
total cpu time spent up to now is 13.5 secs
Computing kpt #: 36
total cpu time spent up to now is 13.9 secs
Computing kpt #: 37
total cpu time spent up to now is 14.2 secs
Computing kpt #: 38
total cpu time spent up to now is 14.6 secs
Computing kpt #: 39
total cpu time spent up to now is 14.9 secs
Computing kpt #: 40
total cpu time spent up to now is 15.3 secs
Computing kpt #: 41
total cpu time spent up to now is 15.6 secs
Computing kpt #: 42
total cpu time spent up to now is 15.9 secs
Computing kpt #: 43
total cpu time spent up to now is 16.2 secs
Computing kpt #: 44
total cpu time spent up to now is 16.6 secs
Computing kpt #: 45
total cpu time spent up to now is 16.9 secs
Computing kpt #: 46
total cpu time spent up to now is 17.2 secs
Computing kpt #: 47
total cpu time spent up to now is 17.6 secs
Computing kpt #: 48
total cpu time spent up to now is 17.9 secs
Computing kpt #: 49
total cpu time spent up to now is 18.2 secs
Computing kpt #: 50
total cpu time spent up to now is 18.6 secs
Computing kpt #: 51
total cpu time spent up to now is 18.9 secs
Computing kpt #: 52
total cpu time spent up to now is 19.2 secs
Computing kpt #: 53
total cpu time spent up to now is 19.6 secs
Computing kpt #: 54
total cpu time spent up to now is 19.9 secs
Computing kpt #: 55
total cpu time spent up to now is 20.2 secs
Computing kpt #: 56
total cpu time spent up to now is 20.5 secs
Computing kpt #: 57
total cpu time spent up to now is 20.9 secs
Computing kpt #: 58
total cpu time spent up to now is 21.2 secs
Computing kpt #: 59
total cpu time spent up to now is 21.5 secs
Computing kpt #: 60
total cpu time spent up to now is 21.8 secs
Computing kpt #: 61
total cpu time spent up to now is 22.1 secs
Computing kpt #: 62
total cpu time spent up to now is 22.4 secs
Computing kpt #: 63
total cpu time spent up to now is 22.7 secs
Computing kpt #: 64
total cpu time spent up to now is 22.9 secs
Computing kpt #: 65
total cpu time spent up to now is 23.2 secs
Computing kpt #: 66
total cpu time spent up to now is 23.5 secs
Computing kpt #: 67
total cpu time spent up to now is 23.7 secs
Computing kpt #: 68
total cpu time spent up to now is 24.0 secs
Computing kpt #: 69
total cpu time spent up to now is 24.3 secs
Computing kpt #: 70
total cpu time spent up to now is 24.6 secs
Computing kpt #: 71
total cpu time spent up to now is 24.9 secs
Computing kpt #: 72
total cpu time spent up to now is 25.1 secs
Computing kpt #: 73
total cpu time spent up to now is 25.4 secs
Computing kpt #: 74
total cpu time spent up to now is 25.7 secs
Computing kpt #: 75
total cpu time spent up to now is 26.0 secs
Computing kpt #: 76
total cpu time spent up to now is 26.3 secs
Computing kpt #: 77
total cpu time spent up to now is 26.6 secs
Computing kpt #: 78
total cpu time spent up to now is 26.8 secs
Computing kpt #: 79
total cpu time spent up to now is 27.1 secs
Computing kpt #: 80
total cpu time spent up to now is 27.4 secs
Computing kpt #: 81
total cpu time spent up to now is 27.7 secs
Computing kpt #: 82
total cpu time spent up to now is 27.9 secs
Computing kpt #: 83
total cpu time spent up to now is 28.2 secs
Computing kpt #: 84
total cpu time spent up to now is 28.5 secs
Computing kpt #: 85
total cpu time spent up to now is 28.8 secs
Computing kpt #: 86
total cpu time spent up to now is 29.1 secs
Computing kpt #: 87
total cpu time spent up to now is 29.4 secs
Computing kpt #: 88
total cpu time spent up to now is 29.7 secs
Computing kpt #: 89
total cpu time spent up to now is 30.0 secs
Computing kpt #: 90
total cpu time spent up to now is 30.3 secs
Computing kpt #: 91
total cpu time spent up to now is 30.6 secs
Computing kpt #: 92
total cpu time spent up to now is 30.9 secs
Computing kpt #: 93
total cpu time spent up to now is 31.3 secs
Computing kpt #: 94
total cpu time spent up to now is 31.6 secs
Computing kpt #: 95
total cpu time spent up to now is 31.9 secs
Computing kpt #: 96
total cpu time spent up to now is 32.7 secs
Computing kpt #: 97
total cpu time spent up to now is 33.0 secs
Computing kpt #: 98
total cpu time spent up to now is 33.3 secs
Computing kpt #: 99
total cpu time spent up to now is 33.6 secs
Computing kpt #: 100
total cpu time spent up to now is 34.0 secs
Computing kpt #: 101
total cpu time spent up to now is 34.3 secs
Computing kpt #: 102
total cpu time spent up to now is 34.6 secs
Computing kpt #: 103
total cpu time spent up to now is 34.9 secs
Computing kpt #: 104
total cpu time spent up to now is 35.2 secs
Computing kpt #: 105
total cpu time spent up to now is 35.5 secs
Computing kpt #: 106
total cpu time spent up to now is 35.8 secs
Computing kpt #: 107
total cpu time spent up to now is 36.1 secs
Computing kpt #: 108
total cpu time spent up to now is 36.4 secs
Computing kpt #: 109
total cpu time spent up to now is 36.7 secs
Computing kpt #: 110
total cpu time spent up to now is 37.0 secs
Computing kpt #: 111
total cpu time spent up to now is 37.3 secs
Computing kpt #: 112
total cpu time spent up to now is 37.6 secs
Computing kpt #: 113
total cpu time spent up to now is 37.9 secs
Computing kpt #: 114
total cpu time spent up to now is 38.3 secs
Computing kpt #: 115
total cpu time spent up to now is 38.6 secs
Computing kpt #: 116
total cpu time spent up to now is 38.9 secs
Computing kpt #: 117
total cpu time spent up to now is 39.2 secs
Computing kpt #: 118
total cpu time spent up to now is 39.6 secs
Computing kpt #: 119
total cpu time spent up to now is 39.9 secs
Computing kpt #: 120
total cpu time spent up to now is 40.3 secs
Computing kpt #: 121
total cpu time spent up to now is 40.6 secs
Computing kpt #: 122
total cpu time spent up to now is 40.9 secs
Computing kpt #: 123
total cpu time spent up to now is 41.3 secs
Computing kpt #: 124
total cpu time spent up to now is 41.6 secs
Computing kpt #: 125
total cpu time spent up to now is 41.9 secs
Computing kpt #: 126
total cpu time spent up to now is 42.3 secs
Computing kpt #: 127
total cpu time spent up to now is 42.6 secs
Computing kpt #: 128
total cpu time spent up to now is 42.9 secs
Computing kpt #: 129
total cpu time spent up to now is 43.3 secs
Computing kpt #: 130
total cpu time spent up to now is 43.7 secs
Computing kpt #: 131
total cpu time spent up to now is 44.0 secs
Computing kpt #: 132
total cpu time spent up to now is 44.4 secs
Computing kpt #: 133
total cpu time spent up to now is 44.7 secs
Computing kpt #: 134
total cpu time spent up to now is 45.0 secs
Computing kpt #: 135
total cpu time spent up to now is 45.4 secs
Computing kpt #: 136
total cpu time spent up to now is 45.7 secs
Computing kpt #: 137
total cpu time spent up to now is 46.0 secs
Computing kpt #: 138
total cpu time spent up to now is 46.3 secs
Computing kpt #: 139
total cpu time spent up to now is 46.7 secs
Computing kpt #: 140
total cpu time spent up to now is 47.0 secs
Computing kpt #: 141
total cpu time spent up to now is 47.3 secs
Computing kpt #: 142
total cpu time spent up to now is 47.7 secs
Computing kpt #: 143
total cpu time spent up to now is 48.0 secs
Computing kpt #: 144
total cpu time spent up to now is 48.3 secs
Computing kpt #: 145
total cpu time spent up to now is 48.7 secs
Computing kpt #: 146
total cpu time spent up to now is 49.1 secs
Computing kpt #: 147
total cpu time spent up to now is 49.5 secs
Computing kpt #: 148
total cpu time spent up to now is 49.9 secs
Computing kpt #: 149
total cpu time spent up to now is 50.3 secs
Computing kpt #: 150
total cpu time spent up to now is 50.7 secs
Computing kpt #: 151
total cpu time spent up to now is 51.0 secs
Computing kpt #: 152
total cpu time spent up to now is 51.4 secs
Computing kpt #: 153
total cpu time spent up to now is 51.7 secs
Computing kpt #: 154
total cpu time spent up to now is 52.0 secs
Computing kpt #: 155
total cpu time spent up to now is 52.4 secs
Computing kpt #: 156
total cpu time spent up to now is 52.7 secs
Computing kpt #: 157
total cpu time spent up to now is 53.0 secs
Computing kpt #: 158
total cpu time spent up to now is 53.3 secs
Computing kpt #: 159
total cpu time spent up to now is 53.7 secs
Computing kpt #: 160
total cpu time spent up to now is 54.0 secs
Computing kpt #: 161
total cpu time spent up to now is 54.3 secs
Computing kpt #: 162
total cpu time spent up to now is 54.7 secs
Computing kpt #: 163
total cpu time spent up to now is 55.0 secs
Computing kpt #: 164
total cpu time spent up to now is 55.3 secs
Computing kpt #: 165
total cpu time spent up to now is 55.7 secs
Computing kpt #: 166
total cpu time spent up to now is 56.0 secs
Computing kpt #: 167
total cpu time spent up to now is 56.4 secs
Computing kpt #: 168
total cpu time spent up to now is 56.8 secs
Computing kpt #: 169
total cpu time spent up to now is 57.2 secs
Computing kpt #: 170
total cpu time spent up to now is 57.6 secs
Computing kpt #: 171
total cpu time spent up to now is 58.0 secs
Computing kpt #: 172
total cpu time spent up to now is 58.3 secs
Computing kpt #: 173
total cpu time spent up to now is 58.7 secs
Computing kpt #: 174
total cpu time spent up to now is 59.1 secs
Computing kpt #: 175
total cpu time spent up to now is 59.4 secs
Computing kpt #: 176
total cpu time spent up to now is 59.8 secs
Computing kpt #: 177
total cpu time spent up to now is 60.1 secs
Computing kpt #: 178
total cpu time spent up to now is 60.4 secs
Computing kpt #: 179
total cpu time spent up to now is 60.8 secs
Computing kpt #: 180
total cpu time spent up to now is 61.1 secs
Computing kpt #: 181
total cpu time spent up to now is 61.5 secs
Computing kpt #: 182
total cpu time spent up to now is 61.8 secs
Computing kpt #: 183
total cpu time spent up to now is 62.1 secs
Computing kpt #: 184
total cpu time spent up to now is 62.4 secs
Computing kpt #: 185
total cpu time spent up to now is 62.8 secs
Computing kpt #: 186
total cpu time spent up to now is 63.1 secs
Computing kpt #: 187
total cpu time spent up to now is 63.4 secs
Computing kpt #: 188
total cpu time spent up to now is 63.7 secs
Computing kpt #: 189
total cpu time spent up to now is 64.1 secs
Computing kpt #: 190
total cpu time spent up to now is 64.4 secs
Computing kpt #: 191
total cpu time spent up to now is 64.7 secs
Computing kpt #: 192
total cpu time spent up to now is 65.1 secs
Computing kpt #: 193
total cpu time spent up to now is 65.4 secs
Computing kpt #: 194
total cpu time spent up to now is 65.7 secs
Computing kpt #: 195
total cpu time spent up to now is 66.1 secs
Computing kpt #: 196
total cpu time spent up to now is 66.5 secs
Computing kpt #: 197
total cpu time spent up to now is 66.8 secs
Computing kpt #: 198
total cpu time spent up to now is 67.1 secs
Computing kpt #: 199
total cpu time spent up to now is 67.6 secs
Computing kpt #: 200
total cpu time spent up to now is 68.0 secs
Computing kpt #: 201
total cpu time spent up to now is 68.3 secs
Computing kpt #: 202
total cpu time spent up to now is 68.6 secs
Computing kpt #: 203
total cpu time spent up to now is 68.9 secs
Computing kpt #: 204
total cpu time spent up to now is 69.2 secs
Computing kpt #: 205
total cpu time spent up to now is 69.6 secs
Computing kpt #: 206
total cpu time spent up to now is 69.9 secs
Computing kpt #: 207
total cpu time spent up to now is 70.2 secs
Computing kpt #: 208
total cpu time spent up to now is 70.6 secs
Computing kpt #: 209
total cpu time spent up to now is 70.9 secs
Computing kpt #: 210
total cpu time spent up to now is 71.3 secs
Computing kpt #: 211
total cpu time spent up to now is 71.6 secs
Computing kpt #: 212
total cpu time spent up to now is 72.0 secs
Computing kpt #: 213
total cpu time spent up to now is 72.4 secs
Computing kpt #: 214
total cpu time spent up to now is 72.7 secs
Computing kpt #: 215
total cpu time spent up to now is 73.1 secs
Computing kpt #: 216
total cpu time spent up to now is 73.5 secs
Computing kpt #: 217
total cpu time spent up to now is 73.9 secs
Computing kpt #: 218
total cpu time spent up to now is 74.3 secs
Computing kpt #: 219
total cpu time spent up to now is 74.6 secs
Computing kpt #: 220
total cpu time spent up to now is 75.0 secs
Computing kpt #: 221
total cpu time spent up to now is 75.4 secs
Computing kpt #: 222
total cpu time spent up to now is 75.8 secs
Computing kpt #: 223
total cpu time spent up to now is 76.1 secs
Computing kpt #: 224
total cpu time spent up to now is 76.5 secs
Computing kpt #: 225
total cpu time spent up to now is 76.8 secs
Computing kpt #: 226
total cpu time spent up to now is 77.2 secs
Computing kpt #: 227
total cpu time spent up to now is 77.5 secs
Computing kpt #: 228
total cpu time spent up to now is 77.9 secs
Computing kpt #: 229
total cpu time spent up to now is 78.2 secs
Computing kpt #: 230
total cpu time spent up to now is 78.5 secs
Computing kpt #: 231
total cpu time spent up to now is 78.9 secs
Computing kpt #: 232
total cpu time spent up to now is 79.2 secs
Computing kpt #: 233
total cpu time spent up to now is 79.6 secs
Computing kpt #: 234
total cpu time spent up to now is 79.9 secs
Computing kpt #: 235
total cpu time spent up to now is 80.3 secs
Computing kpt #: 236
total cpu time spent up to now is 80.6 secs
Computing kpt #: 237
total cpu time spent up to now is 81.0 secs
Computing kpt #: 238
total cpu time spent up to now is 81.3 secs
Computing kpt #: 239
total cpu time spent up to now is 81.7 secs
Computing kpt #: 240
total cpu time spent up to now is 82.0 secs
Computing kpt #: 241
total cpu time spent up to now is 82.4 secs
Computing kpt #: 242
total cpu time spent up to now is 82.8 secs
Computing kpt #: 243
total cpu time spent up to now is 83.1 secs
Computing kpt #: 244
total cpu time spent up to now is 83.5 secs
Computing kpt #: 245
total cpu time spent up to now is 83.9 secs
Computing kpt #: 246
total cpu time spent up to now is 84.3 secs
Computing kpt #: 247
total cpu time spent up to now is 84.6 secs
Computing kpt #: 248
total cpu time spent up to now is 85.0 secs
Computing kpt #: 249
total cpu time spent up to now is 85.4 secs
Computing kpt #: 250
total cpu time spent up to now is 85.7 secs
Computing kpt #: 251
total cpu time spent up to now is 86.1 secs
Computing kpt #: 252
total cpu time spent up to now is 86.4 secs
Computing kpt #: 253
total cpu time spent up to now is 86.7 secs
Computing kpt #: 254
total cpu time spent up to now is 87.1 secs
Computing kpt #: 255
total cpu time spent up to now is 87.4 secs
Computing kpt #: 256
total cpu time spent up to now is 87.7 secs
Computing kpt #: 257
total cpu time spent up to now is 88.1 secs
Computing kpt #: 258
total cpu time spent up to now is 88.4 secs
Computing kpt #: 259
total cpu time spent up to now is 88.8 secs
Computing kpt #: 260
total cpu time spent up to now is 89.1 secs
Computing kpt #: 261
total cpu time spent up to now is 89.5 secs
Computing kpt #: 262
total cpu time spent up to now is 89.8 secs
Computing kpt #: 263
total cpu time spent up to now is 90.2 secs
Computing kpt #: 264
total cpu time spent up to now is 90.5 secs
Computing kpt #: 265
total cpu time spent up to now is 90.9 secs
Computing kpt #: 266
total cpu time spent up to now is 91.2 secs
Computing kpt #: 267
total cpu time spent up to now is 91.6 secs
Computing kpt #: 268
total cpu time spent up to now is 91.9 secs
Computing kpt #: 269
total cpu time spent up to now is 92.3 secs
Computing kpt #: 270
total cpu time spent up to now is 92.7 secs
Computing kpt #: 271
total cpu time spent up to now is 93.1 secs
Computing kpt #: 272
total cpu time spent up to now is 93.4 secs
Computing kpt #: 273
total cpu time spent up to now is 93.8 secs
Computing kpt #: 274
total cpu time spent up to now is 94.2 secs
Computing kpt #: 275
total cpu time spent up to now is 94.5 secs
Computing kpt #: 276
total cpu time spent up to now is 94.9 secs
Computing kpt #: 277
total cpu time spent up to now is 95.3 secs
Computing kpt #: 278
total cpu time spent up to now is 95.7 secs
Computing kpt #: 279
total cpu time spent up to now is 96.0 secs
Computing kpt #: 280
total cpu time spent up to now is 96.4 secs
Computing kpt #: 281
total cpu time spent up to now is 96.7 secs
Computing kpt #: 282
total cpu time spent up to now is 97.1 secs
Computing kpt #: 283
total cpu time spent up to now is 97.4 secs
Computing kpt #: 284
total cpu time spent up to now is 97.7 secs
Computing kpt #: 285
total cpu time spent up to now is 98.1 secs
Computing kpt #: 286
total cpu time spent up to now is 98.4 secs
Computing kpt #: 287
total cpu time spent up to now is 98.7 secs
Computing kpt #: 288
total cpu time spent up to now is 99.1 secs
Computing kpt #: 289
total cpu time spent up to now is 99.4 secs
Computing kpt #: 290
total cpu time spent up to now is 99.7 secs
Computing kpt #: 291
total cpu time spent up to now is 100.0 secs
Computing kpt #: 292
total cpu time spent up to now is 100.4 secs
Computing kpt #: 293
total cpu time spent up to now is 100.7 secs
Computing kpt #: 294
total cpu time spent up to now is 101.0 secs
Computing kpt #: 295
total cpu time spent up to now is 101.3 secs
Computing kpt #: 296
total cpu time spent up to now is 101.6 secs
Computing kpt #: 297
total cpu time spent up to now is 102.0 secs
Computing kpt #: 298
total cpu time spent up to now is 102.5 secs
Computing kpt #: 299
total cpu time spent up to now is 102.8 secs
Computing kpt #: 300
total cpu time spent up to now is 103.2 secs
Computing kpt #: 301
total cpu time spent up to now is 103.5 secs
Computing kpt #: 302
total cpu time spent up to now is 103.8 secs
Computing kpt #: 303
total cpu time spent up to now is 104.1 secs
Computing kpt #: 304
total cpu time spent up to now is 104.5 secs
Computing kpt #: 305
total cpu time spent up to now is 104.8 secs
Computing kpt #: 306
total cpu time spent up to now is 105.1 secs
Computing kpt #: 307
total cpu time spent up to now is 105.4 secs
Computing kpt #: 308
total cpu time spent up to now is 105.8 secs
Computing kpt #: 309
total cpu time spent up to now is 106.1 secs
Computing kpt #: 310
total cpu time spent up to now is 106.4 secs
Computing kpt #: 311
total cpu time spent up to now is 106.7 secs
Computing kpt #: 312
total cpu time spent up to now is 107.0 secs
Computing kpt #: 313
total cpu time spent up to now is 107.3 secs
Computing kpt #: 314
total cpu time spent up to now is 107.6 secs
Computing kpt #: 315
total cpu time spent up to now is 108.0 secs
Computing kpt #: 316
total cpu time spent up to now is 108.3 secs
Computing kpt #: 317
total cpu time spent up to now is 108.6 secs
Computing kpt #: 318
total cpu time spent up to now is 108.9 secs
Computing kpt #: 319
total cpu time spent up to now is 109.3 secs
Computing kpt #: 320
total cpu time spent up to now is 109.6 secs
Computing kpt #: 321
total cpu time spent up to now is 109.9 secs
Computing kpt #: 322
total cpu time spent up to now is 110.3 secs
Computing kpt #: 323
total cpu time spent up to now is 110.6 secs
Computing kpt #: 324
total cpu time spent up to now is 110.9 secs
Computing kpt #: 325
total cpu time spent up to now is 111.3 secs
Computing kpt #: 326
total cpu time spent up to now is 111.6 secs
Computing kpt #: 327
total cpu time spent up to now is 112.0 secs
Computing kpt #: 328
total cpu time spent up to now is 112.3 secs
Computing kpt #: 329
total cpu time spent up to now is 112.7 secs
Computing kpt #: 330
total cpu time spent up to now is 113.1 secs
Computing kpt #: 331
total cpu time spent up to now is 113.4 secs
Computing kpt #: 332
total cpu time spent up to now is 113.8 secs
Computing kpt #: 333
total cpu time spent up to now is 114.2 secs
Computing kpt #: 334
total cpu time spent up to now is 114.5 secs
Computing kpt #: 335
total cpu time spent up to now is 114.8 secs
Computing kpt #: 336
total cpu time spent up to now is 115.2 secs
Computing kpt #: 337
total cpu time spent up to now is 115.5 secs
Computing kpt #: 338
total cpu time spent up to now is 115.9 secs
Computing kpt #: 339
total cpu time spent up to now is 116.2 secs
Computing kpt #: 340
total cpu time spent up to now is 116.5 secs
Computing kpt #: 341
total cpu time spent up to now is 116.8 secs
Computing kpt #: 342
total cpu time spent up to now is 117.2 secs
Computing kpt #: 343
total cpu time spent up to now is 117.5 secs
Computing kpt #: 344
total cpu time spent up to now is 117.8 secs
Computing kpt #: 345
total cpu time spent up to now is 118.1 secs
Computing kpt #: 346
total cpu time spent up to now is 118.5 secs
Computing kpt #: 347
total cpu time spent up to now is 118.8 secs
Computing kpt #: 348
total cpu time spent up to now is 119.2 secs
Computing kpt #: 349
total cpu time spent up to now is 119.5 secs
Computing kpt #: 350
total cpu time spent up to now is 119.8 secs
Computing kpt #: 351
total cpu time spent up to now is 120.2 secs
Computing kpt #: 352
total cpu time spent up to now is 120.5 secs
Computing kpt #: 353
total cpu time spent up to now is 120.8 secs
Computing kpt #: 354
total cpu time spent up to now is 121.1 secs
Computing kpt #: 355
total cpu time spent up to now is 121.5 secs
Computing kpt #: 356
total cpu time spent up to now is 121.8 secs
Computing kpt #: 357
total cpu time spent up to now is 122.1 secs
Computing kpt #: 358
total cpu time spent up to now is 122.5 secs
Computing kpt #: 359
total cpu time spent up to now is 122.8 secs
Computing kpt #: 360
total cpu time spent up to now is 123.1 secs
Computing kpt #: 361
total cpu time spent up to now is 123.4 secs
Computing kpt #: 362
total cpu time spent up to now is 123.8 secs
Computing kpt #: 363
total cpu time spent up to now is 124.1 secs
Computing kpt #: 364
total cpu time spent up to now is 124.4 secs
Computing kpt #: 365
total cpu time spent up to now is 124.7 secs
Computing kpt #: 366
total cpu time spent up to now is 125.1 secs
Computing kpt #: 367
total cpu time spent up to now is 125.4 secs
Computing kpt #: 368
total cpu time spent up to now is 125.7 secs
Computing kpt #: 369
total cpu time spent up to now is 126.0 secs
Computing kpt #: 370
total cpu time spent up to now is 126.3 secs
Computing kpt #: 371
total cpu time spent up to now is 126.6 secs
Computing kpt #: 372
total cpu time spent up to now is 127.0 secs
Computing kpt #: 373
total cpu time spent up to now is 127.3 secs
Computing kpt #: 374
total cpu time spent up to now is 127.6 secs
Computing kpt #: 375
total cpu time spent up to now is 127.9 secs
Computing kpt #: 376
total cpu time spent up to now is 128.3 secs
Computing kpt #: 377
total cpu time spent up to now is 128.6 secs
Computing kpt #: 378
total cpu time spent up to now is 129.0 secs
Computing kpt #: 379
total cpu time spent up to now is 129.3 secs
Computing kpt #: 380
total cpu time spent up to now is 129.7 secs
Computing kpt #: 381
total cpu time spent up to now is 130.0 secs
Computing kpt #: 382
total cpu time spent up to now is 130.4 secs
Computing kpt #: 383
total cpu time spent up to now is 130.7 secs
Computing kpt #: 384
total cpu time spent up to now is 131.1 secs
Computing kpt #: 385
total cpu time spent up to now is 131.4 secs
Computing kpt #: 386
total cpu time spent up to now is 131.8 secs
Computing kpt #: 387
total cpu time spent up to now is 132.2 secs
Computing kpt #: 388
total cpu time spent up to now is 132.6 secs
Computing kpt #: 389
total cpu time spent up to now is 133.0 secs
Computing kpt #: 390
total cpu time spent up to now is 133.4 secs
Computing kpt #: 391
total cpu time spent up to now is 133.7 secs
Computing kpt #: 392
total cpu time spent up to now is 134.1 secs
Computing kpt #: 393
total cpu time spent up to now is 134.5 secs
Computing kpt #: 394
total cpu time spent up to now is 134.9 secs
Computing kpt #: 395
total cpu time spent up to now is 135.2 secs
Computing kpt #: 396
total cpu time spent up to now is 135.6 secs
Computing kpt #: 397
total cpu time spent up to now is 135.9 secs
Computing kpt #: 398
total cpu time spent up to now is 136.3 secs
Computing kpt #: 399
total cpu time spent up to now is 136.6 secs
Computing kpt #: 400
total cpu time spent up to now is 136.9 secs
Computing kpt #: 401
total cpu time spent up to now is 137.3 secs
Computing kpt #: 402
total cpu time spent up to now is 137.6 secs
Computing kpt #: 403
total cpu time spent up to now is 137.9 secs
Computing kpt #: 404
total cpu time spent up to now is 138.2 secs
Computing kpt #: 405
total cpu time spent up to now is 138.5 secs
Computing kpt #: 406
total cpu time spent up to now is 138.8 secs
Computing kpt #: 407
total cpu time spent up to now is 139.0 secs
Computing kpt #: 408
total cpu time spent up to now is 139.3 secs
Computing kpt #: 409
total cpu time spent up to now is 139.6 secs
Computing kpt #: 410
total cpu time spent up to now is 139.9 secs
Computing kpt #: 411
total cpu time spent up to now is 140.2 secs
Computing kpt #: 412
total cpu time spent up to now is 140.5 secs
Computing kpt #: 413
total cpu time spent up to now is 140.8 secs
Computing kpt #: 414
total cpu time spent up to now is 141.1 secs
Computing kpt #: 415
total cpu time spent up to now is 141.4 secs
Computing kpt #: 416
total cpu time spent up to now is 141.8 secs
Computing kpt #: 417
total cpu time spent up to now is 142.1 secs
Computing kpt #: 418
total cpu time spent up to now is 142.4 secs
Computing kpt #: 419
total cpu time spent up to now is 142.7 secs
Computing kpt #: 420
total cpu time spent up to now is 143.0 secs
Computing kpt #: 421
total cpu time spent up to now is 143.3 secs
Computing kpt #: 422
total cpu time spent up to now is 143.7 secs
Computing kpt #: 423
total cpu time spent up to now is 144.0 secs
Computing kpt #: 424
total cpu time spent up to now is 144.3 secs
Computing kpt #: 425
total cpu time spent up to now is 144.6 secs
Computing kpt #: 426
total cpu time spent up to now is 145.0 secs
Computing kpt #: 427
total cpu time spent up to now is 145.3 secs
Computing kpt #: 428
total cpu time spent up to now is 145.6 secs
Computing kpt #: 429
total cpu time spent up to now is 146.0 secs
Computing kpt #: 430
total cpu time spent up to now is 146.4 secs
Computing kpt #: 431
total cpu time spent up to now is 146.7 secs
Computing kpt #: 432
total cpu time spent up to now is 147.1 secs
ethr = 2.50E-08, avg # of iterations = 15.5
total cpu time spent up to now is 147.1 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 3551 PWs) bands (ev):
-6.0521 -6.0521 -3.8368 -3.8368 -2.7934 -2.7934 -2.2346 -2.2346
3.0148 3.0148 4.2430 4.2430 5.3514 5.3514 5.4455 5.4455
6.5033 6.5033 6.6316 6.6316 6.8277 6.8277 6.9757 6.9757
7.0246 7.0246 8.7984 8.7984 9.0665 9.0665 9.2201 9.2201
9.2337 9.2337 9.2457 9.2457 9.3088 9.3088 9.6528 9.6528
10.9408 10.9408 11.2417 11.2417 12.6429 12.6429 12.7971 12.7971
k = 0.0114-0.0000-0.0000 ( 3543 PWs) bands (ev):
-6.0511 -6.0511 -3.8367 -3.8367 -2.7928 -2.7928 -2.2344 -2.2344
3.0161 3.0161 4.2433 4.2433 5.3518 5.3518 5.4443 5.4443
6.4969 6.4969 6.6311 6.6311 6.8264 6.8264 6.9778 6.9778
7.0249 7.0249 8.8020 8.8020 9.0641 9.0641 9.1492 9.1492
9.2284 9.2284 9.3028 9.3028 9.3216 9.3216 9.6539 9.6539
10.9415 10.9415 11.2420 11.2420 12.6405 12.6405 12.7952 12.7952
k = 0.0227-0.0000-0.0000 ( 3543 PWs) bands (ev):
-6.0481 -6.0481 -3.8365 -3.8365 -2.7913 -2.7913 -2.2338 -2.2338
3.0200 3.0200 4.2442 4.2442 5.3531 5.3531 5.4405 5.4405
6.4780 6.4780 6.6295 6.6295 6.8226 6.8226 6.9836 6.9836
7.0260 7.0260 8.8124 8.8124 9.0567 9.0567 9.0594 9.0594
9.2271 9.2271 9.3033 9.3033 9.3931 9.3931 9.6573 9.6573
10.9434 10.9434 11.2431 11.2431 12.6331 12.6331 12.7897 12.7897
k = 0.0341-0.0000-0.0000 ( 3551 PWs) bands (ev):
-6.0430 -6.0430 -3.8363 -3.8363 -2.7888 -2.7888 -2.2328 -2.2328
3.0266 3.0266 4.2456 4.2456 5.3550 5.3550 5.4344 5.4344
6.4473 6.4473 6.6268 6.6268 6.8163 6.8163 6.9930 6.9930
7.0277 7.0277 8.8286 8.8286 8.9644 8.9644 9.0450 9.0450
9.2252 9.2252 9.2993 9.2993 9.4623 9.4623 9.6628 9.6628
10.9465 10.9465 11.2449 11.2449 12.6199 12.6199 12.7803 12.7803
k = 0.0455-0.0000-0.0000 ( 3545 PWs) bands (ev):
-6.0359 -6.0359 -3.8359 -3.8359 -2.7852 -2.7852 -2.2314 -2.2314
3.0357 3.0357 4.2474 4.2474 5.3576 5.3576 5.4260 5.4260
6.4057 6.4057 6.6230 6.6230 6.8081 6.8081 7.0056 7.0056
7.0304 7.0304 8.8449 8.8449 8.8703 8.8703 9.0291 9.0291
9.2225 9.2225 9.2935 9.2935 9.5261 9.5261 9.6707 9.6707
10.9508 10.9508 11.2472 11.2472 12.6000 12.6000 12.7669 12.7669
k = 0.0568-0.0000-0.0000 ( 3541 PWs) bands (ev):
-6.0268 -6.0268 -3.8354 -3.8354 -2.7807 -2.7807 -2.2296 -2.2296
3.0475 3.0475 4.2497 4.2497 5.3605 5.3605 5.4160 5.4160
6.3548 6.3548 6.6180 6.6180 6.7981 6.7981 7.0187 7.0187
7.0360 7.0360 8.7597 8.7597 8.8772 8.8772 9.0096 9.0096
9.2189 9.2189 9.2861 9.2861 9.5840 9.5840 9.6811 9.6811
10.9564 10.9564 11.2500 11.2500 12.5717 12.5717 12.7493 12.7493
k = 0.0682-0.0000-0.0000 ( 3541 PWs) bands (ev):
-6.0156 -6.0156 -3.8350 -3.8350 -2.7751 -2.7751 -2.2274 -2.2274
3.0618 3.0618 4.2521 4.2521 5.3631 5.3631 5.4050 5.4050
6.2959 6.2959 6.6116 6.6116 6.7867 6.7867 7.0261 7.0261
7.0503 7.0503 8.6536 8.6536 8.9027 8.9027 8.9878 8.9878
9.2145 9.2145 9.2772 9.2772 9.6352 9.6352 9.6947 9.6947
10.9631 10.9631 11.2532 11.2532 12.5333 12.5333 12.7272 12.7272
k = 0.0795-0.0000-0.0000 ( 3527 PWs) bands (ev):
-6.0025 -6.0025 -3.8345 -3.8345 -2.7686 -2.7686 -2.2249 -2.2249
3.0787 3.0787 4.2547 4.2547 5.3630 5.3630 5.3955 5.3955
6.2308 6.2308 6.6038 6.6038 6.7743 6.7743 7.0282 7.0282
7.0722 7.0722 8.5443 8.5443 8.9240 8.9240 8.9692 8.9692
9.2091 9.2091 9.2670 9.2670 9.6768 9.6768 9.7143 9.7143
10.9711 10.9711 11.2566 11.2566 12.4833 12.4833 12.7010 12.7010
k = 0.0909-0.0000-0.0000 ( 3531 PWs) bands (ev):
-5.9874 -5.9874 -3.8341 -3.8341 -2.7611 -2.7611 -2.2221 -2.2221
3.0982 3.0982 4.2570 4.2570 5.3562 5.3562 5.3917 5.3917
6.1612 6.1612 6.5944 6.5944 6.7608 6.7608 7.0281 7.0281
7.0979 7.0979 8.4328 8.4328 8.9185 8.9185 8.9749 8.9749
9.2025 9.2025 9.2556 9.2556 9.7046 9.7046 9.7441 9.7441
10.9801 10.9801 11.2601 11.2601 12.4214 12.4214 12.6719 12.6719
k = 0.1023-0.0000-0.0000 ( 3535 PWs) bands (ev):
-5.9704 -5.9704 -3.8339 -3.8339 -2.7528 -2.7528 -2.2189 -2.2189
3.1202 3.1202 4.2588 4.2588 5.3424 5.3424 5.3938 5.3938
6.0886 6.0886 6.5833 6.5833 6.7463 6.7463 7.0262 7.0262
7.1265 7.1265 8.3196 8.3196 8.8931 8.8931 8.9979 8.9979
9.1947 9.1947 9.2434 9.2434 9.7242 9.7242 9.7783 9.7783
10.9902 10.9902 11.2636 11.2636 12.3486 12.3486 12.6411 12.6411
k = 0.1136-0.0000-0.0000 ( 3547 PWs) bands (ev):
-5.9514 -5.9514 -3.8338 -3.8338 -2.7435 -2.7435 -2.2155 -2.2155
3.1447 3.1447 4.2600 4.2600 5.3250 5.3250 5.3987 5.3987
6.0146 6.0146 6.5703 6.5703 6.7307 6.7307 7.0224 7.0224
7.1575 7.1575 8.2056 8.2056 8.8636 8.8636 9.0218 9.0218
9.1855 9.1855 9.2308 9.2308 9.7418 9.7418 9.8105 9.8105
11.0012 11.0012 11.2670 11.2670 12.2671 12.2671 12.6095 12.6095
k = 0.1250-0.0000-0.0000 ( 3549 PWs) bands (ev):
-5.9305 -5.9305 -3.8340 -3.8340 -2.7333 -2.7333 -2.2118 -2.2118
3.1716 3.1716 4.2600 4.2600 5.3058 5.3058 5.4046 5.4046
5.9407 5.9407 6.5553 6.5553 6.7138 6.7138 7.0167 7.0167
7.1907 7.1907 8.0916 8.0916 8.8334 8.8334 9.0430 9.0430
9.1753 9.1753 9.2185 9.2185 9.7587 9.7587 9.8392 9.8392
11.0131 11.0131 11.2703 11.2703 12.1795 12.1795 12.5775 12.5775
k = 0.1364-0.0000-0.0000 ( 3553 PWs) bands (ev):
-5.9077 -5.9077 -3.8345 -3.8345 -2.7222 -2.7222 -2.2078 -2.2078
3.2011 3.2011 4.2585 4.2585 5.2854 5.2854 5.4109 5.4109
5.8685 5.8685 6.5381 6.5381 6.6952 6.6952 7.0091 7.0091
7.2256 7.2256 7.9783 7.9783 8.8034 8.8034 9.0593 9.0593
9.1653 9.1653 9.2066 9.2066 9.7750 9.7750 9.8641 9.8641
11.0257 11.0257 11.2734 11.2734 12.0879 12.0879 12.5452 12.5452
k = 0.1477-0.0000-0.0000 ( 3557 PWs) bands (ev):
-5.8830 -5.8830 -3.8354 -3.8354 -2.7104 -2.7104 -2.2037 -2.2037
3.2329 3.2329 4.2550 4.2550 5.2644 5.2644 5.4169 5.4169
5.7992 5.7992 6.5184 6.5184 6.6746 6.6746 6.9996 6.9996
7.2621 7.2621 7.8667 7.8667 8.7746 8.7746 9.0672 9.0672
9.1587 9.1587 9.1954 9.1954 9.7904 9.7904 9.8852 9.8852
11.0390 11.0390 11.2763 11.2763 11.9943 11.9943 12.5124 12.5124
k = 0.1591-0.0000-0.0000 ( 3561 PWs) bands (ev):
-5.8565 -5.8565 -3.8369 -3.8369 -2.6978 -2.6978 -2.1994 -2.1994
3.2671 3.2671 4.2491 4.2491 5.2430 5.2430 5.4223 5.4223
5.7342 5.7342 6.4959 6.4959 6.6512 6.6512 6.9885 6.9885
7.2999 7.2999 7.7578 7.7578 8.7475 8.7475 9.0633 9.0633
9.1590 9.1590 9.1846 9.1846 9.8045 9.8045 9.9028 9.9028
11.0528 11.0528 11.2792 11.2792 11.9002 11.9002 12.4792 12.4792
k = 0.1705-0.0000-0.0000 ( 3547 PWs) bands (ev):
-5.8283 -5.8283 -3.8389 -3.8389 -2.6844 -2.6844 -2.1950 -2.1950
3.3036 3.3036 4.2403 4.2403 5.2215 5.2215 5.4267 5.4267
5.6748 5.6748 6.4702 6.4702 6.6247 6.6247 6.9760 6.9760
7.3387 7.3387 7.6525 7.6525 8.7226 8.7226 9.0484 9.0484
9.1657 9.1657 9.1745 9.1745 9.8171 9.8171 9.9170 9.9170
11.0669 11.0669 11.2819 11.2819 11.8069 11.8069 12.4455 12.4455
k = 0.1818-0.0000-0.0000 ( 3547 PWs) bands (ev):
-5.7983 -5.7983 -3.8416 -3.8416 -2.6703 -2.6703 -2.1905 -2.1905
3.3424 3.3424 4.2283 4.2283 5.2002 5.2002 5.4292 5.4292
5.6222 5.6222 6.4408 6.4408 6.5945 6.5945 6.9629 6.9629
7.3782 7.3782 7.5519 7.5519 8.7002 8.7002 9.0260 9.0260
9.1634 9.1634 9.1766 9.1766 9.8278 9.8278 9.9280 9.9280
11.0811 11.0811 11.2846 11.2846 11.7155 11.7155 12.4111 12.4111
k = 0.1932-0.0000-0.0000 ( 3547 PWs) bands (ev):
-5.7666 -5.7666 -3.8452 -3.8452 -2.6556 -2.6556 -2.1859 -2.1859
3.3834 3.3834 4.2126 4.2126 5.1793 5.1793 5.4291 5.4291
5.5775 5.5775 6.4072 6.4072 6.5602 6.5602 6.9495 6.9495
7.4181 7.4181 7.4570 7.4570 8.6805 8.6805 8.9989 8.9989
9.1535 9.1535 9.1875 9.1875 9.8365 9.8365 9.9359 9.9359
11.0954 11.0954 11.2872 11.2872 11.6268 11.6268 12.3760 12.3760
k = 0.2045-0.0000-0.0000 ( 3543 PWs) bands (ev):
-5.7332 -5.7332 -3.8496 -3.8496 -2.6402 -2.6402 -2.1814 -2.1814
3.4265 3.4265 4.1933 4.1933 5.1592 5.1592 5.4252 5.4252
5.5419 5.5419 6.3689 6.3689 6.5216 6.5216 6.9366 6.9366
7.3685 7.3685 7.4583 7.4583 8.6637 8.6637 8.9684 8.9684
9.1435 9.1435 9.1985 9.1985 9.8429 9.8429 9.9411 9.9411
11.1095 11.1095 11.2898 11.2898 11.5420 11.5420 12.3399 12.3399
k = 0.2159-0.0000-0.0000 ( 3545 PWs) bands (ev):
-5.6982 -5.6982 -3.8550 -3.8550 -2.6243 -2.6243 -2.1769 -2.1769
3.4717 3.4717 4.1703 4.1703 5.1400 5.1400 5.4168 5.4168
5.5159 5.5159 6.3254 6.3254 6.4791 6.4791 6.9247 6.9247
7.2872 7.2872 7.4983 7.4983 8.6496 8.6496 8.9354 8.9354
9.1337 9.1337 9.2091 9.2091 9.8472 9.8472 9.9435 9.9435
11.1234 11.1234 11.2917 11.2917 11.4622 11.4622 12.3029 12.3029
k = 0.2273-0.0000-0.0000 ( 3541 PWs) bands (ev):
-5.6616 -5.6616 -3.8616 -3.8616 -2.6078 -2.6078 -2.1724 -2.1724
3.5187 3.5187 4.1441 4.1441 5.1220 5.1220 5.4045 5.4045
5.4980 5.4980 6.2766 6.2766 6.4331 6.4331 6.9143 6.9143
7.2131 7.2131 7.5379 7.5379 8.6384 8.6384 8.9002 8.9002
9.1244 9.1244 9.2190 9.2190 9.8491 9.8491 9.9434 9.9434
11.1370 11.1370 11.2907 11.2907 11.3904 11.3904 12.2649 12.2649
k = 0.2386-0.0000-0.0000 ( 3541 PWs) bands (ev):
-5.6236 -5.6236 -3.8693 -3.8693 -2.5909 -2.5909 -2.1682 -2.1682
3.5674 3.5674 4.1153 4.1153 5.1053 5.1053 5.3898 5.3898
5.4857 5.4857 6.2232 6.2232 6.3844 6.3844 6.9057 6.9057
7.1459 7.1459 7.5767 7.5767 8.6298 8.6298 8.8634 8.8634
9.1154 9.1154 9.2283 9.2283 9.8487 9.8487 9.9409 9.9409
11.1501 11.1501 11.2738 11.2738 11.3401 11.3401 12.2256 12.2256
k = 0.2500-0.0000-0.0000 ( 3545 PWs) bands (ev):
-5.5841 -5.5841 -3.8784 -3.8784 -2.5736 -2.5736 -2.1641 -2.1641
3.6175 3.6175 4.0847 4.0847 5.0900 5.0900 5.3735 5.3735
5.4767 5.4767 6.1662 6.1662 6.3335 6.3335 6.8991 6.8991
7.0852 7.0852 7.6142 7.6142 8.6235 8.6235 8.8253 8.8253
9.1070 9.1070 9.2370 9.2370 9.8461 9.8461 9.9361 9.9361
11.1625 11.1625 11.2252 11.2252 11.3277 11.3277 12.1851 12.1851
k = 0.2614-0.0000-0.0000 ( 3533 PWs) bands (ev):
-5.5432 -5.5432 -3.8890 -3.8890 -2.5559 -2.5559 -2.1602 -2.1602
3.6686 3.6686 4.0536 4.0536 5.0760 5.0760 5.3543 5.3543
5.4709 5.4709 6.1076 6.1076 6.2810 6.2810 6.8947 6.8947
7.0302 7.0302 7.6501 7.6501 8.6194 8.6194 8.7865 8.7865
9.0994 9.0994 9.2454 9.2454 9.8414 9.8414 9.9291 9.9291
11.1659 11.1659 11.1767 11.1767 11.3305 11.3305 12.1434 12.1434
k = 0.2727-0.0000-0.0000 ( 3531 PWs) bands (ev):
-5.5010 -5.5010 -3.9010 -3.9010 -2.5380 -2.5380 -2.1567 -2.1567
3.7197 3.7197 4.0236 4.0236 5.0634 5.0634 5.3295 5.3295
5.4694 5.4694 6.0496 6.0496 6.2269 6.2269 6.8921 6.8921
6.9803 6.9803 7.6837 7.6837 8.6172 8.6172 8.7474 8.7474
9.0927 9.0927 9.2532 9.2532 9.8345 9.8345 9.9201 9.9201
11.1129 11.1129 11.1867 11.1867 11.3375 11.3375 12.1003 12.1003
k = 0.2841-0.0000-0.0000 ( 3533 PWs) bands (ev):
-5.4575 -5.4575 -3.9146 -3.9146 -2.5198 -2.5198 -2.1534 -2.1534
3.7686 3.7686 3.9977 3.9977 5.0522 5.0522 5.2962 5.2962
5.4732 5.4732 5.9941 5.9941 6.1717 6.1717 6.8894 6.8894
6.9365 6.9365 7.7145 7.7145 8.6165 8.6165 8.7087 8.7087
9.0871 9.0871 9.2606 9.2606 9.8257 9.8257 9.9091 9.9091
11.0631 11.0631 11.1975 11.1975 11.3469 11.3469 12.0559 12.0559
k = 0.2955-0.0000-0.0000 ( 3537 PWs) bands (ev):
-5.4129 -5.4129 -3.9300 -3.9300 -2.5014 -2.5014 -2.1506 -2.1506
3.8100 3.8100 3.9820 3.9820 5.0423 5.0423 5.2533 5.2533
5.4827 5.4827 5.9429 5.9429 6.1155 6.1155 6.8739 6.8739
6.9106 6.9106 7.7418 7.7418 8.6171 8.6171 8.6710 8.6710
9.0828 9.0828 9.2677 9.2677 9.8149 9.8149 9.8964 9.8964
11.0187 11.0187 11.2079 11.2079 11.3583 11.3583 12.0102 12.0102
k = 0.3068-0.0000-0.0000 ( 3539 PWs) bands (ev):
-5.3672 -5.3672 -3.9471 -3.9471 -2.4830 -2.4830 -2.1482 -2.1482
3.8329 3.8329 3.9881 3.9881 5.0336 5.0336 5.2009 5.2009
5.4974 5.4974 5.8966 5.8966 6.0586 6.0586 6.8377 6.8377
6.9097 6.9097 7.7647 7.7647 8.6187 8.6187 8.6354 8.6354
9.0800 9.0800 9.2745 9.2745 9.8024 9.8024 9.8819 9.8819
10.9800 10.9800 11.2176 11.2176 11.3715 11.3715 11.9632 11.9632
k = 0.3182-0.0000-0.0000 ( 3538 PWs) bands (ev):
-5.3205 -5.3205 -3.9661 -3.9661 -2.4644 -2.4644 -2.1463 -2.1463
3.8325 3.8325 4.0213 4.0213 5.0256 5.0256 5.1406 5.1406
5.5164 5.5164 5.8552 5.8552 6.0013 6.0013 6.7978 6.7978
6.9162 6.9162 7.7824 7.7824 8.6027 8.6027 8.6211 8.6211
9.0787 9.0787 9.2812 9.2812 9.7884 9.7884 9.8659 9.8659
10.9471 10.9471 11.2269 11.2269 11.3866 11.3866 11.9149 11.9149
k = 0.3295-0.0000-0.0000 ( 3540 PWs) bands (ev):
-5.2728 -5.2728 -3.9869 -3.9869 -2.4460 -2.4460 -2.1449 -2.1449
3.8195 3.8195 4.0715 4.0715 5.0154 5.0154 5.0772 5.0772
5.5386 5.5386 5.8182 5.8182 5.9440 5.9440 6.7579 6.7579
6.9261 6.9261 7.7939 7.7939 8.5741 8.5741 8.6239 8.6239
9.0793 9.0793 9.2876 9.2876 9.7728 9.7728 9.8484 9.8484
10.9199 10.9199 11.2357 11.2357 11.4037 11.4037 11.8652 11.8652
k = 0.3409-0.0000-0.0000 ( 3544 PWs) bands (ev):
-5.2244 -5.2244 -4.0097 -4.0097 -2.4276 -2.4276 -2.1441 -2.1441
3.8033 3.8033 4.1295 4.1295 4.9801 4.9801 5.0355 5.0355
5.5626 5.5626 5.7851 5.7851 5.8869 5.8869 6.7181 6.7181
6.9387 6.9387 7.7985 7.7985 8.5504 8.5504 8.6269 8.6269
9.0816 9.0816 9.2939 9.2939 9.7560 9.7560 9.8298 9.8298
10.8984 10.8984 11.2441 11.2441 11.4226 11.4226 11.8139 11.8139
k = 0.3523-0.0000-0.0000 ( 3552 PWs) bands (ev):
-5.1752 -5.1752 -4.0345 -4.0345 -2.4093 -2.4093 -2.1439 -2.1439
3.7881 3.7881 4.1914 4.1914 4.9100 4.9100 5.0267 5.0267
5.5863 5.5863 5.7563 5.7563 5.8307 5.8307 6.6784 6.6784
6.9537 6.9537 7.7956 7.7956 8.5323 8.5323 8.6298 8.6298
9.0859 9.0859 9.3001 9.3001 9.7380 9.7380 9.8100 9.8100
10.8825 10.8825 11.2521 11.2521 11.4432 11.4432 11.7635 11.7635
k = 0.3636-0.0000-0.0000 ( 3554 PWs) bands (ev):
-5.1254 -5.1254 -4.0612 -4.0612 -2.3913 -2.3913 -2.1444 -2.1444
3.7757 3.7757 4.2554 4.2554 4.8323 4.8323 5.0257 5.0257
5.6045 5.6045 5.7339 5.7339 5.7769 5.7769 6.6387 6.6387
6.9710 6.9710 7.7850 7.7850 8.5202 8.5202 8.6326 8.6326
9.0921 9.0921 9.3060 9.3060 9.7192 9.7192 9.7895 9.7895
10.8721 10.8721 11.2599 11.2599 11.4654 11.4654 11.7153 11.7153
k = 0.3750-0.0000-0.0000 ( 3556 PWs) bands (ev):
-5.0751 -5.0751 -4.0899 -4.0899 -2.3735 -2.3735 -2.1456 -2.1456
3.7671 3.7671 4.3206 4.3206 4.7531 4.7531 5.0278 5.0278
5.6080 5.6080 5.7097 5.7097 5.7421 5.7421 6.5988 6.5988
6.9907 6.9907 7.7670 7.7670 8.5138 8.5138 8.6350 8.6350
9.1004 9.1004 9.3117 9.3117 9.6998 9.6998 9.7684 9.7684
10.8672 10.8672 11.2675 11.2675 11.4884 11.4884 11.6648 11.6648
k = 0.3864-0.0000-0.0000 ( 3558 PWs) bands (ev):
-5.0245 -5.0245 -4.1206 -4.1206 -2.3561 -2.3561 -2.1476 -2.1476
3.7628 3.7628 4.3856 4.3856 4.6749 4.6749 5.0324 5.0324
5.5917 5.5917 5.6615 5.6615 5.7526 5.7526 6.5588 6.5588
7.0126 7.0126 7.7424 7.7424 8.5125 8.5125 8.6369 8.6369
9.1105 9.1105 9.3170 9.3170 9.6799 9.6799 9.7469 9.7469
10.8674 10.8674 11.2751 11.2751 11.5099 11.5099 11.6172 11.6172
k = 0.3977-0.0000-0.0000 ( 3558 PWs) bands (ev):
-4.9735 -4.9735 -4.1532 -4.1532 -2.3390 -2.3390 -2.1503 -2.1503
3.7631 3.7631 4.4463 4.4463 4.6027 4.6027 5.0392 5.0392
5.5622 5.5622 5.6105 5.6105 5.7802 5.7802 6.5186 6.5186
7.0368 7.0368 7.7122 7.7122 8.5155 8.5155 8.6381 8.6381
9.1225 9.1225 9.3218 9.3218 9.6601 9.6601 9.7253 9.7253
10.8726 10.8726 11.2826 11.2826 11.5168 11.5168 11.5821 11.5821
k = 0.4091-0.0000-0.0000 ( 3554 PWs) bands (ev):
-4.9223 -4.9223 -4.1877 -4.1877 -2.3225 -2.3225 -2.1538 -2.1538
3.7683 3.7683 4.4718 4.4718 4.5678 4.5678 5.0482 5.0482
5.5253 5.5253 5.5607 5.5607 5.8146 5.8146 6.4781 6.4781
7.0630 7.0630 7.6775 7.6775 8.5219 8.5219 8.6385 8.6385
9.1363 9.1363 9.3260 9.3260 9.6406 9.6406 9.7039 9.7039
10.8827 10.8827 11.2903 11.2903 11.4865 11.4865 11.5550 11.5550
k = 0.4205-0.0000-0.0000 ( 3554 PWs) bands (ev):
-4.8712 -4.8712 -4.2240 -4.2240 -2.3064 -2.3064 -2.1581 -2.1581
3.7785 3.7785 4.4205 4.4205 4.6121 4.6121 5.0593 5.0593
5.4837 5.4837 5.5129 5.5129 5.8524 5.8524 6.4373 6.4373
7.0915 7.0915 7.6394 7.6394 8.5306 8.5306 8.6380 8.6380
9.1517 9.1517 9.3290 9.3290 9.6221 9.6221 9.6830 9.6830
10.8974 10.8974 11.2982 11.2982 11.4399 11.4399 11.5247 11.5247
k = 0.4318-0.0000-0.0000 ( 3550 PWs) bands (ev):
-4.8201 -4.8201 -4.2622 -4.2622 -2.2909 -2.2909 -2.1633 -2.1633
3.7939 3.7939 4.3522 4.3522 4.6760 4.6760 5.0723 5.0723
5.4387 5.4387 5.4673 5.4673 5.8921 5.8921 6.3963 6.3963
7.1219 7.1219 7.5988 7.5988 8.5408 8.5408 8.6366 8.6366
9.1686 9.1686 9.3303 9.3303 9.6052 9.6052 9.6628 9.6628
10.9165 10.9165 11.3064 11.3064 11.3904 11.3904 11.4964 11.4964
k = 0.4432-0.0000-0.0000 ( 3554 PWs) bands (ev):
-4.7692 -4.7692 -4.3020 -4.3020 -2.2761 -2.2761 -2.1693 -2.1693
3.8143 3.8143 4.2839 4.2839 4.7426 4.7426 5.0867 5.0867
5.3913 5.3913 5.4239 5.4239 5.9330 5.9330 6.3550 6.3550
7.1543 7.1543 7.5566 7.5566 8.5519 8.5519 8.6340 8.6340
9.1866 9.1866 9.3295 9.3295 9.5907 9.5907 9.6437 9.6437
10.9397 10.9397 11.3141 11.3141 11.3417 11.3417 11.4706 11.4706
k = 0.4545-0.0000-0.0000 ( 3558 PWs) bands (ev):
-4.7187 -4.7187 -4.3434 -4.3434 -2.2619 -2.2619 -2.1762 -2.1762
3.8400 3.8400 4.2181 4.2181 4.8094 4.8094 5.1017 5.1017
5.3430 5.3430 5.3829 5.3829 5.9747 5.9747 6.3134 6.3134
7.1886 7.1886 7.5135 7.5135 8.5633 8.5633 8.6304 8.6304
9.2055 9.2055 9.3260 9.3260 9.5795 9.5795 9.6259 9.6259
10.9668 10.9668 11.2894 11.2894 11.3268 11.3268 11.4471 11.4471
k = 0.4659-0.0000-0.0000 ( 3558 PWs) bands (ev):
-4.6687 -4.6687 -4.3863 -4.3863 -2.2484 -2.2484 -2.1840 -2.1840
3.8707 3.8707 4.1557 4.1557 4.8753 4.8753 5.1145 5.1145
5.2966 5.2966 5.3447 5.3447 6.0169 6.0169 6.2716 6.2716
7.2247 7.2247 7.4701 7.4701 8.5745 8.5745 8.6256 8.6256
9.2248 9.2248 9.3193 9.3193 9.5722 9.5722 9.6097 9.6097
10.9976 10.9976 11.2421 11.2421 11.3365 11.3365 11.4260 11.4260
k = 0.4773-0.0000-0.0000 ( 3546 PWs) bands (ev):
-4.6193 -4.6193 -4.4306 -4.4306 -2.2356 -2.2356 -2.1926 -2.1926
3.9064 3.9064 4.0970 4.0970 4.9396 4.9396 5.1181 5.1181
5.2597 5.2597 5.3098 5.3098 6.0594 6.0594 6.2295 6.2295
7.2625 7.2625 7.4269 7.4269 8.5853 8.5853 8.6197 8.6197
9.2441 9.2441 9.3093 9.3093 9.5691 9.5691 9.5957 9.5957
11.0317 11.0317 11.1958 11.1958 11.3478 11.3478 11.4069 11.4069
k = 0.4886-0.0000-0.0000 ( 3542 PWs) bands (ev):
-4.5707 -4.5707 -4.4762 -4.4762 -2.2236 -2.2236 -2.2021 -2.2021
3.9471 3.9471 4.0426 4.0426 5.0008 5.0008 5.0991 5.0991
5.2454 5.2454 5.2793 5.2793 6.1021 6.1021 6.1871 6.1871
7.3019 7.3019 7.3843 7.3843 8.5954 8.5954 8.6127 8.6127
9.2629 9.2629 9.2963 9.2963 9.5702 9.5702 9.5841 9.5841
11.0689 11.0689 11.1512 11.1512 11.3603 11.3603 11.3897 11.3897
k = 0.5000-0.0000-0.0000 ( 3542 PWs) bands (ev):
-4.5230 -4.5230 -4.5229 -4.5229 -2.2125 -2.2125 -2.2124 -2.2124
3.9925 3.9925 3.9925 3.9925 5.0562 5.0562 5.0563 5.0563
5.2557 5.2557 5.2557 5.2557 6.1446 6.1446 6.1447 6.1447
7.3425 7.3425 7.3425 7.3425 8.6045 8.6045 8.6046 8.6046
9.2804 9.2804 9.2808 9.2808 9.5752 9.5752 9.5756 9.5756
11.1087 11.1087 11.1090 11.1090 11.3741 11.3741 11.3744 11.3744
k = 0.5000-0.0000-0.0000 ( 3542 PWs) bands (ev):
-4.5230 -4.5230 -4.5229 -4.5229 -2.2125 -2.2125 -2.2124 -2.2124
3.9925 3.9925 3.9925 3.9925 5.0562 5.0562 5.0563 5.0563
5.2557 5.2557 5.2557 5.2557 6.1446 6.1446 6.1447 6.1447
7.3425 7.3425 7.3425 7.3425 8.6045 8.6045 8.6046 8.6046
9.2804 9.2804 9.2808 9.2808 9.5752 9.5752 9.5756 9.5756
11.1087 11.1087 11.1090 11.1090 11.3741 11.3741 11.3744 11.3744
k = 0.5000 0.0113-0.0000 ( 3538 PWs) bands (ev):
-4.5223 -4.5223 -4.5222 -4.5222 -2.2137 -2.2137 -2.2134 -2.2134
3.9918 3.9918 3.9947 3.9947 5.0285 5.0285 5.0388 5.0388
5.2779 5.2779 5.2835 5.2835 6.1406 6.1406 6.1427 6.1427
7.3424 7.3424 7.3428 7.3428 8.6004 8.6004 8.6055 8.6055
9.2801 9.2801 9.2814 9.2814 9.5747 9.5747 9.5764 9.5764
11.1058 11.1058 11.1079 11.1079 11.3718 11.3718 11.3754 11.3754
k = 0.5000 0.0226-0.0000 ( 3542 PWs) bands (ev):
-4.5202 -4.5202 -4.5201 -4.5201 -2.2171 -2.2171 -2.2164 -2.2164
3.9925 3.9925 3.9983 3.9983 4.9764 4.9764 4.9921 4.9921
5.3340 5.3340 5.3403 5.3403 6.1306 6.1306 6.1349 6.1349
7.3424 7.3424 7.3432 7.3432 8.5931 8.5931 8.6032 8.6032
9.2801 9.2801 9.2826 9.2826 9.5745 9.5745 9.5778 9.5778
11.0990 11.0990 11.1031 11.1031 11.3681 11.3681 11.3748 11.3748
k = 0.5000 0.0339-0.0000 ( 3546 PWs) bands (ev):
-4.5167 -4.5167 -4.5166 -4.5166 -2.2226 -2.2226 -2.2217 -2.2217
3.9946 3.9946 4.0032 4.0032 4.9179 4.9179 4.9368 4.9368
5.4032 5.4032 5.4081 5.4081 6.1149 6.1149 6.1213 6.1213
7.3422 7.3422 7.3434 7.3434 8.5831 8.5831 8.5980 8.5980
9.2804 9.2804 9.2843 9.2843 9.5746 9.5746 9.5795 9.5795
11.0888 11.0888 11.0948 11.0948 11.3639 11.3639 11.3730 11.3730
k = 0.5000 0.0452-0.0000 ( 3554 PWs) bands (ev):
-4.5118 -4.5118 -4.5118 -4.5118 -2.2302 -2.2302 -2.2290 -2.2290
3.9980 3.9980 4.0095 4.0095 4.8592 4.8592 4.8807 4.8807
5.4780 5.4780 5.4804 5.4804 6.0939 6.0939 6.1025 6.1025
7.3414 7.3414 7.3430 7.3430 8.5709 8.5709 8.5906 8.5906
9.2812 9.2812 9.2863 9.2863 9.5750 9.5750 9.5814 9.5814
11.0756 11.0756 11.0834 11.0834 11.3596 11.3596 11.3702 11.3702
k = 0.5000 0.0566-0.0000 ( 3558 PWs) bands (ev):
-4.5056 -4.5056 -4.5055 -4.5055 -2.2399 -2.2399 -2.2384 -2.2384
4.0025 4.0025 4.0169 4.0169 4.8027 4.8027 4.8263 4.8263
5.5546 5.5546 5.5551 5.5551 6.0681 6.0681 6.0792 6.0792
7.3395 7.3395 7.3413 7.3413 8.5575 8.5575 8.5816 8.5816
9.2822 9.2822 9.2886 9.2886 9.5757 9.5757 9.5834 9.5834
11.0602 11.0602 11.0695 11.0695 11.3556 11.3556 11.3668 11.3668
k = 0.5000 0.0679-0.0000 ( 3562 PWs) bands (ev):
-4.4980 -4.4980 -4.4980 -4.4980 -2.2516 -2.2516 -2.2498 -2.2498
4.0081 4.0081 4.0253 4.0253 4.7495 4.7495 4.7752 4.7752
5.6286 5.6286 5.6328 5.6328 6.0385 6.0385 6.0523 6.0523
7.3357 7.3357 7.3377 7.3377 8.5438 8.5438 8.5720 8.5720
9.2836 9.2836 9.2913 9.2913 9.5767 9.5767 9.5856 9.5856
11.0431 11.0431 11.0538 11.0538 11.3520 11.3520 11.3633 11.3633
k = 0.5000 0.0792-0.0000 ( 3566 PWs) bands (ev):
-4.4892 -4.4892 -4.4891 -4.4891 -2.2652 -2.2652 -2.2631 -2.2631
4.0144 4.0144 4.0343 4.0343 4.7004 4.7004 4.7279 4.7279
5.7004 5.7004 5.7090 5.7090 6.0065 6.0065 6.0238 6.0238
7.3293 7.3293 7.3313 7.3313 8.5308 8.5308 8.5628 8.5628
9.2853 9.2853 9.2943 9.2943 9.5779 9.5779 9.5879 9.5879
11.0251 11.0251 11.0367 11.0367 11.3492 11.3492 11.3599 11.3599
k = 0.5000 0.0905-0.0000 ( 3562 PWs) bands (ev):
-4.4790 -4.4790 -4.4790 -4.4790 -2.2808 -2.2808 -2.2783 -2.2783
4.0212 4.0212 4.0438 4.0438 4.6561 4.6561 4.6852 4.6852
5.7653 5.7653 5.7796 5.7796 5.9762 5.9762 5.9980 5.9980
7.3197 7.3197 7.3213 7.3213 8.5198 8.5198 8.5552 8.5552
9.2872 9.2872 9.2976 9.2976 9.5793 9.5793 9.5903 9.5903
11.0069 11.0069 11.0191 11.0191 11.3472 11.3472 11.3569 11.3569
k = 0.5000 0.1018-0.0000 ( 3566 PWs) bands (ev):
-4.4677 -4.4677 -4.4676 -4.4676 -2.2981 -2.2981 -2.2954 -2.2954
4.0283 4.0283 4.0533 4.0533 4.6171 4.6171 4.6476 4.6476
5.8115 5.8115 5.8294 5.8294 5.9625 5.9625 5.9866 5.9866
7.3060 7.3060 7.3068 7.3068 8.5120 8.5120 8.5501 8.5501
9.2894 9.2894 9.3011 9.3011 9.5808 9.5808 9.5926 9.5926
10.9889 10.9889 11.0014 11.0014 11.3461 11.3461 11.3544 11.3544
k = 0.5000 0.1131-0.0000 ( 3570 PWs) bands (ev):
-4.4551 -4.4551 -4.4550 -4.4550 -2.3171 -2.3171 -2.3141 -2.3141
4.0353 4.0353 4.0623 4.0623 4.5840 4.5840 4.6153 4.6153
5.8199 5.8199 5.8295 5.8295 5.9942 5.9942 6.0086 6.0086
7.2872 7.2872 7.2877 7.2877 8.5083 8.5083 8.5487 8.5487
9.2918 9.2918 9.3048 9.3048 9.5823 9.5823 9.5949 9.5949
10.9717 10.9717 10.9841 10.9841 11.3457 11.3457 11.3525 11.3525
k = 0.5000 0.1244-0.0000 ( 3562 PWs) bands (ev):
-4.4415 -4.4415 -4.4414 -4.4414 -2.3377 -2.3377 -2.3345 -2.3345
4.0420 4.0420 4.0704 4.0704 4.5572 4.5572 4.5887 4.5887
5.7956 5.7956 5.7959 5.7959 6.0555 6.0555 6.0591 6.0591
7.2620 7.2620 7.2644 7.2644 8.5098 8.5098 8.5518 8.5518
9.2944 9.2944 9.3088 9.3088 9.5840 9.5840 9.5972 9.5972
10.9557 10.9557 10.9678 10.9678 11.3463 11.3463 11.3512 11.3512
k = 0.5000 0.1357-0.0000 ( 3550 PWs) bands (ev):
-4.4267 -4.4267 -4.4266 -4.4266 -2.3597 -2.3597 -2.3562 -2.3562
4.0481 4.0481 4.0773 4.0773 4.5371 4.5371 4.5681 4.5681
5.7518 5.7518 5.7570 5.7570 6.1195 6.1195 6.1229 6.1229
7.2309 7.2309 7.2358 7.2358 8.5170 8.5170 8.5600 8.5600
9.2973 9.2973 9.3129 9.3129 9.5857 9.5857 9.5994 9.5994
10.9415 10.9415 10.9530 10.9530 11.3477 11.3477 11.3505 11.3505
k = 0.5000 0.1470-0.0000 ( 3546 PWs) bands (ev):
-4.4110 -4.4110 -4.4109 -4.4109 -2.3831 -2.3831 -2.3794 -2.3794
4.0534 4.0534 4.0825 4.0825 4.5238 4.5238 4.5535 4.5535
5.7037 5.7037 5.7125 5.7125 6.1814 6.1814 6.1898 6.1898
7.1939 7.1939 7.2019 7.2019 8.5302 8.5302 8.5738 8.5738
9.3002 9.3002 9.3171 9.3171 9.5874 9.5874 9.6016 9.6016
10.9293 10.9293 10.9399 10.9399 11.3500 11.3500 11.3505 11.3505
k = 0.5000 0.1583-0.0000 ( 3548 PWs) bands (ev):
-4.3944 -4.3944 -4.3943 -4.3943 -2.4077 -2.4077 -2.4037 -2.4037
4.0579 4.0579 4.0861 4.0861 4.5173 4.5173 4.5446 4.5446
5.6538 5.6538 5.6655 5.6655 6.2415 6.2415 6.2541 6.2541
7.1515 7.1515 7.1632 7.1632 8.5494 8.5494 8.5932 8.5932
9.3033 9.3033 9.3213 9.3213 9.5890 9.5890 9.6037 9.6037
10.9193 10.9193 10.9288 10.9288 11.3510 11.3510 11.3532 11.3532
k = 0.5000 0.1697-0.0000 ( 3546 PWs) bands (ev):
-4.3770 -4.3770 -4.3768 -4.3768 -2.4332 -2.4332 -2.4290 -2.4290
4.0618 4.0618 4.0882 4.0882 4.5169 4.5169 4.5412 4.5412
5.6033 5.6033 5.6176 5.6176 6.2983 6.2983 6.3146 6.3146
7.1043 7.1043 7.1201 7.1201 8.5742 8.5742 8.6181 8.6181
9.3065 9.3065 9.3257 9.3257 9.5906 9.5906 9.6056 9.6056
10.9120 10.9120 10.9202 10.9202 11.3523 11.3523 11.3573 11.3573
k = 0.5000 0.1810-0.0000 ( 3542 PWs) bands (ev):
-4.3589 -4.3589 -4.3587 -4.3587 -2.4596 -2.4596 -2.4552 -2.4552
4.0654 4.0654 4.0894 4.0894 4.5220 4.5220 4.5426 4.5426
5.5531 5.5531 5.5700 5.5700 6.3507 6.3507 6.3702 6.3702
7.0532 7.0532 7.0735 7.0735 8.6042 8.6042 8.6480 8.6480
9.3098 9.3098 9.3301 9.3301 9.5922 9.5922 9.6076 9.6076
10.9073 10.9073 10.9142 10.9142 11.3541 11.3541 11.3625 11.3625
k = 0.5000 0.1923-0.0000 ( 3538 PWs) bands (ev):
-4.3402 -4.3402 -4.3400 -4.3400 -2.4867 -2.4867 -2.4820 -2.4820
4.0689 4.0689 4.0901 4.0901 4.5313 4.5313 4.5478 4.5478
5.5040 5.5040 5.5236 5.5236 6.3975 6.3975 6.4201 6.4201
6.9995 6.9995 7.0248 7.0248 8.6385 8.6385 8.6823 8.6823
9.3132 9.3132 9.3346 9.3346 9.5938 9.5938 9.6094 9.6094
10.9056 10.9056 10.9110 10.9110 11.3567 11.3567 11.3687 11.3687
k = 0.5000 0.2036-0.0000 ( 3538 PWs) bands (ev):
-4.3211 -4.3211 -4.3208 -4.3208 -2.5142 -2.5142 -2.5093 -2.5093
4.0730 4.0730 4.0911 4.0911 4.5436 4.5436 4.5558 4.5558
5.4570 5.4570 5.4795 5.4795 6.4375 6.4375 6.4631 6.4631
6.9450 6.9450 6.9754 6.9754 8.6764 8.6764 8.7203 8.7203
9.3167 9.3167 9.3390 9.3390 9.5952 9.5952 9.6112 9.6112
10.9068 10.9068 10.9108 10.9108 11.3599 11.3599 11.3762 11.3762
k = 0.5000 0.2149-0.0000 ( 3544 PWs) bands (ev):
-4.3016 -4.3016 -4.3013 -4.3013 -2.5418 -2.5418 -2.5368 -2.5368
4.0779 4.0779 4.0929 4.0929 4.5574 4.5574 4.5654 4.5654
5.4129 5.4129 5.4387 5.4387 6.4684 6.4684 6.4971 6.4971
6.8924 6.8924 6.9279 6.9279 8.7166 8.7166 8.7609 8.7609
9.3202 9.3202 9.3435 9.3435 9.5967 9.5967 9.6128 9.6128
10.9109 10.9109 10.9137 10.9137 11.3638 11.3638 11.3848 11.3848
k = 0.5000 0.2262-0.0000 ( 3540 PWs) bands (ev):
-4.2820 -4.2820 -4.2816 -4.2816 -2.5695 -2.5695 -2.5642 -2.5642
4.0842 4.0842 4.0960 4.0960 4.5712 4.5712 4.5752 4.5752
5.3728 5.3728 5.4026 5.4026 6.4871 6.4871 6.5194 6.5194
6.8456 6.8456 6.8858 6.8858 8.7584 8.7584 8.8033 8.8033
9.3239 9.3239 9.3480 9.3480 9.5982 9.5982 9.6145 9.6145
10.9179 10.9179 10.9196 10.9196 11.3685 11.3685 11.3950 11.3950
k = 0.5000 0.2375-0.0000 ( 3536 PWs) bands (ev):
-4.2624 -4.2624 -4.2620 -4.2620 -2.5969 -2.5969 -2.5914 -2.5914
4.0921 4.0921 4.1009 4.1009 4.5832 4.5832 4.5837 4.5837
5.3379 5.3379 5.3725 5.3725 6.4887 6.4887 6.5263 6.5263
6.8100 6.8100 6.8536 6.8536 8.8007 8.8007 8.8464 8.8464
9.3277 9.3277 9.3525 9.3525 9.5996 9.5996 9.6161 9.6161
10.9274 10.9274 10.9284 10.9284 11.3740 11.3740 11.4066 11.4066
k = 0.5000 0.2488-0.0000 ( 3540 PWs) bands (ev):
-4.2431 -4.2431 -4.2426 -4.2426 -2.6237 -2.6237 -2.6181 -2.6181
4.1020 4.1020 4.1077 4.1077 4.5893 4.5893 4.5920 4.5920
5.3094 5.3094 5.3498 5.3498 6.4699 6.4699 6.5147 6.5147
6.7898 6.7898 6.8351 6.8351 8.8424 8.8424 8.8892 8.8892
9.3314 9.3314 9.3569 9.3569 9.6011 9.6011 9.6177 9.6177
10.9391 10.9391 10.9398 10.9398 11.3803 11.3803 11.4200 11.4200
k = 0.5000 0.2601-0.0000 ( 3536 PWs) bands (ev):
-4.2242 -4.2242 -4.2237 -4.2237 -2.6497 -2.6497 -2.6439 -2.6439
4.1139 4.1139 4.1167 4.1167 4.5906 4.5906 4.5960 4.5960
5.2884 5.2884 5.3356 5.3356 6.4319 6.4319 6.4857 6.4857
6.7844 6.7844 6.8300 6.8300 8.8827 8.8827 8.9308 8.9308
9.3354 9.3354 9.3614 9.3614 9.6025 9.6025 9.6192 9.6192
10.9526 10.9526 10.9535 10.9535 11.3876 11.3876 11.4351 11.4351
k = 0.5000 0.2714-0.0000 ( 3540 PWs) bands (ev):
-4.2060 -4.2060 -4.2054 -4.2054 -2.6746 -2.6746 -2.6687 -2.6687
4.1280 4.1280 4.1282 4.1282 4.5864 4.5864 4.5943 4.5943
5.2757 5.2757 5.3309 5.3309 6.3803 6.3803 6.4441 6.4441
6.7888 6.7888 6.8343 6.8343 8.9207 8.9207 8.9701 8.9701
9.3393 9.3393 9.3657 9.3657 9.6038 9.6038 9.6207 9.6207
10.9671 10.9671 10.9690 10.9690 11.3959 11.3959 11.4520 11.4520
k = 0.5000 0.2828-0.0000 ( 3544 PWs) bands (ev):
-4.1888 -4.1888 -4.1881 -4.1881 -2.6980 -2.6980 -2.6919 -2.6919
4.1415 4.1415 4.1448 4.1448 4.5762 4.5762 4.5864 4.5864
5.2714 5.2714 5.3360 5.3360 6.3209 6.3209 6.3955 6.3955
6.7981 6.7981 6.8437 6.8437 8.9559 8.9559 9.0065 9.0065
9.3434 9.3434 9.3699 9.3699 9.6051 9.6051 9.6220 9.6220
10.9821 10.9821 10.9855 10.9855 11.4050 11.4050 11.4705 11.4705
k = 0.5000 0.2941-0.0000 ( 3540 PWs) bands (ev):
-4.1726 -4.1726 -4.1719 -4.1719 -2.7197 -2.7197 -2.7135 -2.7135
4.1571 4.1571 4.1637 4.1637 4.5600 4.5600 4.5727 4.5727
5.2748 5.2748 5.3503 5.3503 6.2577 6.2577 6.3439 6.3439
6.8092 6.8092 6.8550 6.8550 8.9876 8.9876 9.0393 9.0393
9.3475 9.3475 9.3740 9.3740 9.6064 9.6064 9.6233 9.6233
10.9970 10.9970 11.0024 11.0024 11.4150 11.4150 11.4904 11.4904
k = 0.5000 0.3054-0.0000 ( 3540 PWs) bands (ev):
-4.1580 -4.1580 -4.1572 -4.1572 -2.7394 -2.7394 -2.7330 -2.7330
4.1747 4.1747 4.1849 4.1849 4.5385 4.5385 4.5540 4.5540
5.2848 5.2848 5.3727 5.3727 6.1933 6.1933 6.2923 6.2923
6.8203 6.8203 6.8663 6.8663 9.0154 9.0154 9.0680 9.0680
9.3515 9.3515 9.3779 9.3779 9.6075 9.6075 9.6245 9.6245
11.0109 11.0109 11.0189 11.0189 11.4256 11.4256 11.5109 11.5109
k = 0.5000 0.3167-0.0000 ( 3536 PWs) bands (ev):
-4.1450 -4.1450 -4.1441 -4.1441 -2.7566 -2.7566 -2.7501 -2.7501
4.1939 4.1939 4.2084 4.2084 4.5127 4.5127 4.5318 4.5318
5.2995 5.2995 5.4014 5.4014 6.1298 6.1298 6.2432 6.2432
6.8304 6.8304 6.8767 6.8767 9.0391 9.0391 9.0923 9.0923
9.3554 9.3554 9.3815 9.3815 9.6087 9.6087 9.6256 9.6256
11.0235 11.0235 11.0341 11.0341 11.4363 11.4363 11.5313 11.5313
k = 0.5000 0.3280-0.0000 ( 3540 PWs) bands (ev):
-4.1340 -4.1340 -4.1331 -4.1331 -2.7712 -2.7712 -2.7646 -2.7646
4.2140 4.2140 4.2341 4.2341 4.4836 4.4836 4.5076 4.5076
5.3165 5.3165 5.4342 5.4342 6.0692 6.0692 6.1986 6.1986
6.8390 6.8390 6.8856 6.8856 9.0584 9.0584 9.1121 9.1121
9.3589 9.3589 9.3845 9.3845 9.6096 9.6096 9.6265 9.6265
11.0342 11.0342 11.0475 11.0475 11.4466 11.4466 11.5505 11.5505
k = 0.5000 0.3393-0.0000 ( 3532 PWs) bands (ev):
-4.1252 -4.1252 -4.1242 -4.1242 -2.7828 -2.7828 -2.7762 -2.7762
4.2341 4.2341 4.2617 4.2617 4.4523 4.4523 4.4833 4.4833
5.3335 5.3335 5.4683 5.4683 6.0141 6.0141 6.1606 6.1606
6.8459 6.8459 6.8927 6.8927 9.0735 9.0735 9.1274 9.1274
9.3621 9.3621 9.3872 9.3872 9.6104 9.6104 9.6272 9.6272
11.0428 11.0428 11.0583 11.0583 11.4558 11.4558 11.5673 11.5673
k = 0.5000 0.3506-0.0000 ( 3538 PWs) bands (ev):
-4.1187 -4.1187 -4.1177 -4.1177 -2.7913 -2.7913 -2.7846 -2.7846
4.2525 4.2525 4.2910 4.2910 4.4198 4.4198 4.4615 4.4615
5.3481 5.3481 5.4996 5.4996 5.9681 5.9681 6.1314 6.1314
6.8508 6.8508 6.8978 6.8978 9.0841 9.0841 9.1381 9.1381
9.3644 9.3644 9.3891 9.3891 9.6110 9.6110 9.6278 9.6278
11.0490 11.0490 11.0663 11.0663 11.4630 11.4630 11.5804 11.5804
k = 0.5000 0.3619-0.0000 ( 3534 PWs) bands (ev):
-4.1148 -4.1148 -4.1138 -4.1138 -2.7965 -2.7965 -2.7897 -2.7897
4.2662 4.2662 4.3217 4.3217 4.3871 4.3871 4.4455 4.4455
5.3579 5.3579 5.5226 5.5226 5.9364 5.9364 6.1129 6.1129
6.8539 6.8539 6.9010 6.9010 9.0906 9.0906 9.1445 9.1445
9.3660 9.3660 9.3903 9.3903 9.6114 9.6114 9.6281 9.6281
11.0528 11.0528 11.0712 11.0712 11.4677 11.4677 11.5887 11.5887
k = 0.5000 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.1134 -4.1134 -4.1124 -4.1124 -2.7982 -2.7982 -2.7914 -2.7914
4.2715 4.2715 4.3494 4.3494 4.3586 4.3586 4.4394 4.4394
5.3614 5.3614 5.5312 5.5312 5.9248 5.9248 6.1065 6.1065
6.8548 6.8548 6.9020 6.9020 9.0927 9.0927 9.1467 9.1467
9.3665 9.3665 9.3907 9.3907 9.6115 9.6115 9.6283 9.6283
11.0540 11.0540 11.0728 11.0728 11.4693 11.4693 11.5915 11.5915
k = 0.5000 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.1134 -4.1134 -4.1124 -4.1124 -2.7982 -2.7982 -2.7914 -2.7914
4.2715 4.2715 4.3494 4.3494 4.3586 4.3586 4.4394 4.4394
5.3614 5.3614 5.5312 5.5312 5.9248 5.9248 6.1065 6.1065
6.8548 6.8548 6.9020 6.9020 9.0927 9.0927 9.1467 9.1467
9.3665 9.3665 9.3907 9.3907 9.6115 9.6115 9.6283 9.6283
11.0540 11.0540 11.0728 11.0728 11.4693 11.4693 11.5915 11.5915
k = 0.4886 0.3732-0.0000 ( 3538 PWs) bands (ev):
-4.1146 -4.1146 -4.1135 -4.1135 -2.7983 -2.7983 -2.7916 -2.7916
4.2594 4.2594 4.3482 4.3482 4.3634 4.3634 4.4517 4.4517
5.3566 5.3566 5.5268 5.5268 5.9315 5.9315 6.1123 6.1123
6.8574 6.8574 6.9041 6.9041 9.0926 9.0926 9.1465 9.1465
9.3662 9.3662 9.3903 9.3903 9.6115 9.6115 9.6282 9.6282
11.0525 11.0525 11.0713 11.0713 11.4710 11.4710 11.5930 11.5930
k = 0.4773 0.3732-0.0000 ( 3534 PWs) bands (ev):
-4.1179 -4.1179 -4.1169 -4.1169 -2.7988 -2.7988 -2.7920 -2.7920
4.2350 4.2350 4.3261 4.3261 4.3936 4.3936 4.4793 4.4793
5.3430 5.3430 5.5142 5.5142 5.9509 5.9509 6.1290 6.1290
6.8653 6.8653 6.9105 6.9105 9.0923 9.0923 9.1459 9.1459
9.3654 9.3654 9.3889 9.3889 9.6113 9.6113 9.6281 9.6281
11.0479 11.0479 11.0668 11.0668 11.4758 11.4758 11.5975 11.5975
k = 0.4659 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.1234 -4.1234 -4.1224 -4.1224 -2.7995 -2.7995 -2.7928 -2.7928
4.2077 4.2077 4.3009 4.3009 4.4304 4.4304 4.5137 4.5137
5.3230 5.3230 5.4954 5.4954 5.9805 5.9805 6.1546 6.1546
6.8782 6.8782 6.9210 6.9210 9.0919 9.0919 9.1450 9.1450
9.3641 9.3641 9.3866 9.3866 9.6112 9.6112 9.6279 9.6279
11.0406 11.0406 11.0595 11.0595 11.4836 11.4836 11.6046 11.6046
k = 0.4545 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.1311 -4.1311 -4.1301 -4.1301 -2.8005 -2.8005 -2.7938 -2.7938
4.1801 4.1801 4.2747 4.2747 4.4710 4.4710 4.5521 4.5521
5.2994 5.2994 5.4729 5.4729 6.0177 6.0177 6.1867 6.1867
6.8967 6.8967 6.9360 6.9360 9.0912 9.0912 9.1437 9.1437
9.3621 9.3621 9.3834 9.3834 9.6113 9.6113 9.6280 9.6280
11.0307 11.0307 11.0497 11.0497 11.4940 11.4940 11.6142 11.6142
k = 0.4432 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.1408 -4.1408 -4.1398 -4.1398 -2.8019 -2.8019 -2.7952 -2.7952
4.1525 4.1525 4.2480 4.2480 4.5148 4.5148 4.5939 4.5939
5.2749 5.2749 5.4491 5.4491 6.0601 6.0601 6.2230 6.2230
6.9205 6.9205 6.9552 6.9552 9.0903 9.0903 9.1418 9.1418
9.3595 9.3595 9.3792 9.3792 9.6117 9.6117 9.6283 9.6283
11.0187 11.0187 11.0375 11.0375 11.5067 11.5067 11.6259 11.6259
k = 0.4318 0.3732-0.0000 ( 3532 PWs) bands (ev):
-4.1525 -4.1525 -4.1516 -4.1516 -2.8036 -2.8036 -2.7970 -2.7970
4.1248 4.1248 4.2205 4.2205 4.5614 4.5614 4.6387 4.6387
5.2517 5.2517 5.4258 5.4258 6.1056 6.1056 6.2615 6.2615
6.9497 6.9497 6.9788 6.9788 9.0891 9.0891 9.1394 9.1394
9.3564 9.3564 9.3741 9.3741 9.6126 9.6126 9.6292 9.6292
11.0048 11.0048 11.0234 11.0234 11.5211 11.5211 11.6394 11.6394
k = 0.4205 0.3732-0.0000 ( 3532 PWs) bands (ev):
-4.1661 -4.1661 -4.1651 -4.1651 -2.8058 -2.8058 -2.7991 -2.7991
4.0967 4.0967 4.1920 4.1920 4.6107 4.6107 4.6864 4.6864
5.2316 5.2316 5.4050 5.4050 6.1526 6.1526 6.3007 6.3007
6.9841 6.9841 7.0068 7.0068 9.0877 9.0877 9.1365 9.1365
9.3528 9.3528 9.3683 9.3683 9.6142 9.6142 9.6307 9.6307
10.9894 10.9894 11.0076 11.0076 11.5368 11.5368 11.6543 11.6543
k = 0.4091 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.1813 -4.1813 -4.1804 -4.1804 -2.8083 -2.8083 -2.8017 -2.8017
4.0681 4.0681 4.1620 4.1620 4.6626 4.6626 4.7368 4.7368
5.2160 5.2160 5.3877 5.3877 6.1999 6.1999 6.3396 6.3396
7.0237 7.0237 7.0390 7.0390 9.0858 9.0858 9.1328 9.1328
9.3487 9.3487 9.3617 9.3617 9.6168 9.6168 9.6332 9.6332
10.9729 10.9729 10.9905 10.9905 11.5537 11.5537 11.6703 11.6703
k = 0.3977 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.1982 -4.1982 -4.1973 -4.1973 -2.8112 -2.8112 -2.8047 -2.8047
4.0386 4.0386 4.1303 4.1303 4.7167 4.7167 4.7895 4.7895
5.2060 5.2060 5.3753 5.3753 6.2466 6.2466 6.3775 6.3775
7.0680 7.0680 7.0755 7.0755 9.0836 9.0836 9.1284 9.1284
9.3444 9.3444 9.3546 9.3546 9.6204 9.6204 9.6366 9.6366
10.9553 10.9553 10.9723 10.9723 11.5712 11.5712 11.6870 11.6870
k = 0.3864 0.3732-0.0000 ( 3532 PWs) bands (ev):
-4.2165 -4.2165 -4.2157 -4.2157 -2.8146 -2.8146 -2.8082 -2.8082
4.0079 4.0079 4.0967 4.0967 4.7730 4.7730 4.8443 4.8443
5.2028 5.2028 5.3685 5.3685 6.2922 6.2922 6.4141 6.4141
7.1158 7.1158 7.1164 7.1164 9.0809 9.0809 9.1232 9.1232
9.3400 9.3400 9.3473 9.3473 9.6252 9.6252 9.6410 9.6410
10.9370 10.9370 10.9532 10.9532 11.5891 11.5891 11.7043 11.7043
k = 0.3750 0.3732-0.0000 ( 3524 PWs) bands (ev):
-4.2362 -4.2362 -4.2354 -4.2354 -2.8185 -2.8185 -2.8121 -2.8121
3.9760 3.9760 4.0611 4.0611 4.8310 4.8310 4.9006 4.9006
5.2070 5.2070 5.3681 5.3681 6.3362 6.3362 6.4491 6.4491
7.1598 7.1598 7.1684 7.1684 9.0778 9.0778 9.1171 9.1171
9.3357 9.3357 9.3400 9.3400 9.6313 9.6313 9.6467 9.6467
10.9182 10.9182 10.9334 10.9334 11.6073 11.6073 11.7220 11.7220
k = 0.3636 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.2570 -4.2570 -4.2562 -4.2562 -2.8228 -2.8228 -2.8165 -2.8165
3.9426 3.9426 4.0236 4.0236 4.8903 4.8903 4.9575 4.9575
5.2198 5.2198 5.3747 5.3747 6.3784 6.3784 6.4825 6.4825
7.2068 7.2068 7.2231 7.2231 9.0742 9.0742 9.1102 9.1102
9.3317 9.3317 9.3330 9.3330 9.6387 9.6387 9.6535 9.6535
10.8990 10.8990 10.9132 10.9132 11.6255 11.6255 11.7398 11.7398
k = 0.3523 0.3732-0.0000 ( 3534 PWs) bands (ev):
-4.2788 -4.2788 -4.2780 -4.2780 -2.8276 -2.8276 -2.8214 -2.8214
3.9079 3.9079 3.9842 3.9842 4.9503 4.9503 5.0136 5.0136
5.2420 5.2420 5.3889 5.3889 6.4186 6.4186 6.5146 6.5146
7.2565 7.2565 7.2798 7.2798 9.0702 9.0702 9.1026 9.1026
9.3266 9.3266 9.3282 9.3282 9.6473 9.6473 9.6615 9.6615
10.8795 10.8795 10.8928 10.8928 11.6436 11.6436 11.7576 11.7576
k = 0.3409 0.3732-0.0000 ( 3542 PWs) bands (ev):
-4.3014 -4.3014 -4.3007 -4.3007 -2.8329 -2.8329 -2.8268 -2.8268
3.8719 3.8719 3.9433 3.9433 5.0104 5.0104 5.0677 5.0677
5.2750 5.2750 5.4113 5.4113 6.4569 6.4569 6.5453 6.5453
7.3081 7.3081 7.3376 7.3376 9.0659 9.0659 9.0944 9.0944
9.3211 9.3211 9.3253 9.3253 9.6571 9.6571 9.6707 9.6707
10.8600 10.8600 10.8723 10.8723 11.6615 11.6615 11.7754 11.7754
k = 0.3295 0.3732-0.0000 ( 3546 PWs) bands (ev):
-4.3247 -4.3247 -4.3241 -4.3241 -2.8387 -2.8387 -2.8327 -2.8327
3.8347 3.8347 3.9011 3.9011 5.0699 5.0699 5.1184 5.1184
5.3194 5.3194 5.4422 5.4422 6.4933 6.4933 6.5749 6.5749
7.3611 7.3611 7.3955 7.3955 9.0616 9.0616 9.0858 9.0858
9.3167 9.3167 9.3233 9.3233 9.6682 9.6682 9.6810 9.6810
10.8406 10.8406 10.8521 10.8521 11.6792 11.6792 11.7930 11.7930
k = 0.3182 0.3732-0.0000 ( 3554 PWs) bands (ev):
-4.3486 -4.3486 -4.3480 -4.3480 -2.8449 -2.8449 -2.8390 -2.8390
3.7965 3.7965 3.8580 3.8580 5.1280 5.1280 5.1657 5.1657
5.3748 5.3748 5.4819 5.4819 6.5278 6.5278 6.6035 6.6035
7.4146 7.4146 7.4529 7.4529 9.0574 9.0574 9.0774 9.0774
9.3134 9.3134 9.3219 9.3219 9.6804 9.6804 9.6923 9.6923
10.8217 10.8217 10.8323 10.8323 11.6964 11.6964 11.8104 11.8104
k = 0.3068 0.3732-0.0000 ( 3554 PWs) bands (ev):
-4.3729 -4.3729 -4.3723 -4.3723 -2.8515 -2.8515 -2.8457 -2.8457
3.7576 3.7576 3.8142 3.8142 5.1844 5.1844 5.2108 5.2108
5.4396 5.4396 5.5305 5.5305 6.5606 6.5606 6.6312 6.6312
7.4680 7.4680 7.5089 7.5089 9.0539 9.0539 9.0693 9.0693
9.3114 9.3114 9.3214 9.3214 9.6936 9.6936 9.7047 9.7047
10.8034 10.8034 10.8132 10.8132 11.7134 11.7134 11.8276 11.8276
k = 0.2955 0.3732-0.0000 ( 3556 PWs) bands (ev):
-4.3975 -4.3975 -4.3969 -4.3969 -2.8585 -2.8585 -2.8528 -2.8528
3.7182 3.7182 3.7702 3.7702 5.2389 5.2389 5.2550 5.2550
5.5115 5.5115 5.5874 5.5874 6.5918 6.5918 6.6581 6.6581
7.5205 7.5205 7.5627 7.5627 9.0513 9.0513 9.0620 9.0620
9.3106 9.3106 9.3216 9.3216 9.7077 9.7077 9.7180 9.7180
10.7861 10.7861 10.7951 10.7951 11.7299 11.7299 11.8446 11.8446
k = 0.2841 0.3732-0.0000 ( 3550 PWs) bands (ev):
-4.4222 -4.4222 -4.4216 -4.4216 -2.8658 -2.8658 -2.8603 -2.8603
3.6786 3.6786 3.7261 3.7261 5.2917 5.2917 5.2995 5.2995
5.5890 5.5890 5.6519 5.6519 6.6215 6.6215 6.6843 6.6843
7.5714 7.5714 7.6136 7.6136 9.0500 9.0500 9.0559 9.0559
9.3110 9.3110 9.3223 9.3223 9.7227 9.7227 9.7321 9.7321
10.7701 10.7701 10.7783 10.7783 11.7460 11.7460 11.8614 11.8614
k = 0.2727 0.3732-0.0000 ( 3550 PWs) bands (ev):
-4.4468 -4.4468 -4.4464 -4.4464 -2.8735 -2.8735 -2.8681 -2.8681
3.6390 3.6390 3.6823 3.6823 5.3434 5.3434 5.3449 5.3449
5.6707 5.6707 5.7228 5.7228 6.6498 6.6498 6.7098 6.7098
7.6201 7.6201 7.6610 7.6610 9.0504 9.0504 9.0515 9.0515
9.3124 9.3124 9.3236 9.3236 9.7382 9.7382 9.7470 9.7470
10.7557 10.7557 10.7632 10.7632 11.7617 11.7617 11.8779 11.8779
k = 0.2614 0.3732-0.0000 ( 3546 PWs) bands (ev):
-4.4714 -4.4714 -4.4709 -4.4709 -2.8813 -2.8813 -2.8762 -2.8762
3.5996 3.5996 3.6391 3.6391 5.3915 5.3915 5.3943 5.3943
5.7556 5.7556 5.7989 5.7989 6.6767 6.6767 6.7346 6.7346
7.6658 7.6658 7.7043 7.7043 9.0490 9.0490 9.0530 9.0530
9.3146 9.3146 9.3251 9.3251 9.7543 9.7543 9.7625 9.7625
10.7435 10.7435 10.7501 10.7501 11.7770 11.7770 11.8943 11.8943
k = 0.2500 0.3732-0.0000 ( 3550 PWs) bands (ev):
-4.4957 -4.4957 -4.4953 -4.4953 -2.8895 -2.8895 -2.8844 -2.8844
3.5606 3.5606 3.5966 3.5966 5.4393 5.4393 5.4450 5.4450
5.8429 5.8429 5.8790 5.8790 6.7023 6.7023 6.7590 6.7590
7.7082 7.7082 7.7431 7.7431 9.0489 9.0489 9.0577 9.0577
9.3174 9.3174 9.3268 9.3268 9.7707 9.7707 9.7783 9.7783
10.7338 10.7338 10.7396 10.7396 11.7919 11.7919 11.9105 11.9105
k = 0.2386 0.3732-0.0000 ( 3546 PWs) bands (ev):
-4.5197 -4.5197 -4.5193 -4.5193 -2.8977 -2.8977 -2.8929 -2.8929
3.5223 3.5223 3.5550 3.5550 5.4884 5.4884 5.4957 5.4957
5.9320 5.9320 5.9621 5.9621 6.7268 6.7268 6.7828 6.7828
7.7467 7.7467 7.7771 7.7771 9.0513 9.0513 9.0648 9.0648
9.3206 9.3206 9.3284 9.3284 9.7873 9.7873 9.7944 9.7944
10.7275 10.7275 10.7322 10.7322 11.8064 11.8064 11.9266 11.9266
k = 0.2273 0.3732-0.0000 ( 3548 PWs) bands (ev):
-4.5432 -4.5432 -4.5428 -4.5428 -2.9061 -2.9061 -2.9014 -2.9014
3.4849 3.4849 3.5146 3.5146 5.5384 5.5384 5.5466 5.5466
6.0222 6.0222 6.0469 6.0469 6.7501 6.7501 6.8063 6.8063
7.7812 7.7812 7.8063 7.8063 9.0562 9.0562 9.0742 9.0742
9.3239 9.3239 9.3297 9.3297 9.8037 9.8037 9.8103 9.8103
10.7250 10.7250 10.7282 10.7282 11.8205 11.8205 11.9424 11.9424
k = 0.2159 0.3732-0.0000 ( 3548 PWs) bands (ev):
-4.5661 -4.5661 -4.5658 -4.5658 -2.9145 -2.9145 -2.9100 -2.9100
3.4485 3.4485 3.4754 3.4754 5.5892 5.5892 5.5976 5.5976
6.1127 6.1127 6.1325 6.1325 6.7726 6.7726 6.8295 6.8295
7.8115 7.8115 7.8309 7.8309 9.0638 9.0638 9.0856 9.0856
9.3271 9.3271 9.3305 9.3305 9.8198 9.8198 9.8259 9.8259
10.7270 10.7270 10.7284 10.7284 11.8340 11.8340 11.9580 11.9580
k = 0.2045 0.3732-0.0000 ( 3542 PWs) bands (ev):
-4.5884 -4.5884 -4.5881 -4.5881 -2.9228 -2.9228 -2.9185 -2.9185
3.4133 3.4133 3.4377 3.4377 5.6407 5.6407 5.6489 5.6489
6.2028 6.2028 6.2177 6.2177 6.7944 6.7944 6.8529 6.8529
7.8378 7.8378 7.8512 7.8512 9.0737 9.0737 9.0989 9.0989
9.3298 9.3298 9.3307 9.3307 9.8355 9.8355 9.8407 9.8407
10.7332 10.7332 10.7341 10.7341 11.8470 11.8470 11.9733 11.9733
k = 0.1932 0.3732-0.0000 ( 3558 PWs) bands (ev):
-4.6099 -4.6099 -4.6096 -4.6096 -2.9311 -2.9311 -2.9270 -2.9270
3.3793 3.3793 3.4014 3.4014 5.6925 5.6925 5.7003 5.7003
6.2913 6.2913 6.3012 6.3012 6.8157 6.8157 6.8767 6.8767
7.8605 7.8605 7.8678 7.8678 9.0856 9.0856 9.1135 9.1135
9.3298 9.3298 9.3318 9.3318 9.8502 9.8502 9.8544 9.8544
10.7430 10.7430 10.7469 10.7469 11.8594 11.8594 11.9881 11.9881
k = 0.1818 0.3732-0.0000 ( 3558 PWs) bands (ev):
-4.6307 -4.6307 -4.6304 -4.6304 -2.9393 -2.9393 -2.9354 -2.9354
3.3468 3.3468 3.3668 3.3668 5.7445 5.7445 5.7517 5.7517
6.3771 6.3771 6.3816 6.3816 6.8373 6.8373 6.9015 6.9015
7.8800 7.8800 7.8815 7.8815 9.0991 9.0991 9.1288 9.1288
9.3279 9.3279 9.3328 9.3328 9.8640 9.8640 9.8669 9.8669
10.7583 10.7583 10.7660 10.7660 11.8709 11.8709 12.0025 12.0025
k = 0.1705 0.3732-0.0000 ( 3550 PWs) bands (ev):
-4.6505 -4.6505 -4.6502 -4.6502 -2.9473 -2.9473 -2.9436 -2.9436
3.3159 3.3159 3.3339 3.3339 5.7964 5.7964 5.8029 5.8029
6.4572 6.4572 6.4585 6.4585 6.8599 6.8599 6.9279 6.9279
7.8932 7.8932 7.8972 7.8972 9.1135 9.1135 9.1444 9.1444
9.3248 9.3248 9.3327 9.3327 9.8766 9.8766 9.8777 9.8777
10.7794 10.7794 10.7916 10.7916 11.8816 11.8816 12.0162 12.0162
k = 0.1591 0.3732-0.0000 ( 3544 PWs) bands (ev):
-4.6693 -4.6693 -4.6691 -4.6691 -2.9550 -2.9550 -2.9515 -2.9515
3.2866 3.2866 3.3028 3.3028 5.8479 5.8479 5.8537 5.8537
6.5263 6.5263 6.5335 6.5335 6.8846 6.8846 6.9568 6.9568
7.9039 7.9039 7.9130 7.9130 9.1283 9.1283 9.1594 9.1594
9.3205 9.3205 9.3314 9.3314 9.8869 9.8869 9.8879 9.8879
10.8064 10.8064 10.8237 10.8237 11.8912 11.8912 12.0291 12.0291
k = 0.1477 0.3732-0.0000 ( 3548 PWs) bands (ev):
-4.6872 -4.6872 -4.6870 -4.6870 -2.9624 -2.9624 -2.9592 -2.9592
3.2590 3.2590 3.2735 3.2735 5.8989 5.8989 5.9039 5.9039
6.5869 6.5869 6.5996 6.5996 6.9128 6.9128 6.9885 6.9885
7.9149 7.9149 7.9283 7.9283 9.1426 9.1426 9.1732 9.1732
9.3151 9.3151 9.3290 9.3290 9.8942 9.8942 9.8976 9.8976
10.8391 10.8391 10.8622 10.8622 11.8995 11.8995 12.0408 12.0408
k = 0.1364 0.3732-0.0000 ( 3548 PWs) bands (ev):
-4.7039 -4.7039 -4.7037 -4.7037 -2.9695 -2.9695 -2.9665 -2.9665
3.2332 3.2332 3.2462 3.2462 5.9490 5.9490 5.9533 5.9533
6.6379 6.6379 6.6544 6.6544 6.9458 6.9458 7.0232 7.0232
7.9273 7.9273 7.9442 7.9442 9.1554 9.1554 9.1850 9.1850
9.3092 9.3092 9.3259 9.3259 9.9000 9.9000 9.9059 9.9059
10.8773 10.8773 10.9068 10.9068 11.9063 11.9063 12.0511 12.0511
k = 0.1250 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.7195 -4.7195 -4.7193 -4.7193 -2.9762 -2.9762 -2.9734 -2.9734
3.2093 3.2093 3.2209 3.2209 5.9980 5.9980 6.0016 6.0016
6.6787 6.6787 6.6968 6.6968 6.9838 6.9838 7.0601 7.0601
7.9423 7.9423 7.9619 7.9619 9.1658 9.1658 9.1936 9.1936
9.3034 9.3034 9.3227 9.3227 9.9044 9.9044 9.9127 9.9127
10.9206 10.9206 10.9567 10.9567 11.9114 11.9114 12.0596 12.0596
k = 0.1136 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.7339 -4.7339 -4.7338 -4.7338 -2.9824 -2.9824 -2.9799 -2.9799
3.1873 3.1873 3.1975 3.1975 6.0456 6.0456 6.0485 6.0485
6.7100 6.7100 6.7274 6.7274 7.0250 7.0250 7.0973 7.0973
7.9610 7.9610 7.9821 7.9821 9.1723 9.1723 9.1979 9.1979
9.2990 9.2990 9.3205 9.3205 9.9075 9.9075 9.9181 9.9181
10.9683 10.9683 11.0110 11.0110 11.9146 11.9146 12.0659 12.0659
k = 0.1023 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.7471 -4.7471 -4.7469 -4.7469 -2.9882 -2.9882 -2.9859 -2.9859
3.1674 3.1674 3.1763 3.1763 6.0914 6.0914 6.0936 6.0936
6.7329 6.7329 6.7481 6.7481 7.0666 7.0666 7.1327 7.1327
7.9839 7.9839 8.0057 8.0057 9.1735 9.1735 9.1970 9.1970
9.2971 9.2971 9.3200 9.3200 9.9097 9.9097 9.9221 9.9221
11.0197 11.0197 11.0689 11.0689 11.9156 11.9156 12.0694 12.0694
k = 0.0909 0.3732-0.0000 ( 3524 PWs) bands (ev):
-4.7589 -4.7589 -4.7588 -4.7588 -2.9934 -2.9934 -2.9914 -2.9914
3.1494 3.1494 3.1572 3.1572 6.1350 6.1350 6.1366 6.1366
6.7490 6.7490 6.7615 6.7615 7.1057 7.1057 7.1644 7.1644
8.0114 8.0114 8.0327 8.0327 9.1688 9.1688 9.1905 9.1905
9.2985 9.2985 9.3217 9.3217 9.9111 9.9111 9.9249 9.9249
11.0738 11.0738 11.1290 11.1290 11.9144 11.9144 12.0696 12.0696
k = 0.0795 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.7695 -4.7695 -4.7694 -4.7694 -2.9981 -2.9981 -2.9964 -2.9964
3.1335 3.1335 3.1402 3.1402 6.1759 6.1759 6.1770 6.1770
6.7595 6.7595 6.7693 6.7693 7.1403 7.1403 7.1911 7.1911
8.0428 8.0428 8.0628 8.0628 9.1591 9.1591 9.1791 9.1791
9.3028 9.3028 9.3250 9.3250 9.9121 9.9121 9.9266 9.9266
11.1296 11.1296 11.1900 11.1900 11.9109 11.9109 12.0658 12.0658
k = 0.0682 0.3732-0.0000 ( 3526 PWs) bands (ev):
-4.7787 -4.7787 -4.7786 -4.7786 -3.0022 -3.0022 -3.0007 -3.0007
3.1197 3.1197 3.1253 3.1253 6.2137 6.2137 6.2144 6.2144
6.7658 6.7658 6.7731 6.7731 7.1696 7.1696 7.2123 7.2123
8.0770 8.0770 8.0951 8.0951 9.1457 9.1457 9.1641 9.1641
9.3089 9.3089 9.3293 9.3293 9.9130 9.9130 9.9273 9.9273
11.1859 11.1859 11.2501 11.2501 11.9056 11.9056 12.0572 12.0572
k = 0.0568 0.3732-0.0000 ( 3526 PWs) bands (ev):
-4.7866 -4.7866 -4.7865 -4.7865 -3.0058 -3.0058 -3.0045 -3.0045
3.1081 3.1081 3.1127 3.1127 6.2477 6.2477 6.2480 6.2480
6.7687 6.7687 6.7740 6.7740 7.1933 7.1933 7.2281 7.2281
8.1121 8.1121 8.1279 8.1279 9.1305 9.1305 9.1471 9.1471
9.3157 9.3157 9.3336 9.3336 9.9137 9.9137 9.9272 9.9272
11.2414 11.2414 11.3073 11.3073 11.8991 11.8991 12.0434 12.0434
k = 0.0455 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.7930 -4.7930 -4.7929 -4.7929 -3.0086 -3.0086 -3.0076 -3.0076
3.0986 3.0986 3.1022 3.1022 6.2771 6.2771 6.2772 6.2772
6.7693 6.7693 6.7730 6.7730 7.2120 7.2120 7.2391 7.2391
8.1461 8.1461 8.1591 8.1591 9.1152 9.1152 9.1295 9.1295
9.3226 9.3226 9.3374 9.3374 9.9146 9.9146 9.9264 9.9264
11.2945 11.2945 11.3589 11.3589 11.8929 11.8929 12.0243 12.0243
k = 0.0341 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.7980 -4.7980 -4.7980 -4.7980 -3.0109 -3.0109 -3.0101 -3.0101
3.0913 3.0913 3.0940 3.0940 6.3011 6.3011 6.3013 6.3013
6.7686 6.7686 6.7710 6.7710 7.2261 7.2261 7.2460 7.2460
8.1764 8.1764 8.1865 8.1865 9.1015 9.1015 9.1130 9.1130
9.3288 9.3288 9.3403 9.3403 9.9156 9.9156 9.9252 9.9252
11.3434 11.3434 11.4013 11.4013 11.8893 11.8893 12.0003 12.0003
k = 0.0227 0.3732-0.0000 ( 3528 PWs) bands (ev):
-4.8016 -4.8016 -4.8016 -4.8016 -3.0124 -3.0124 -3.0119 -3.0119
3.0862 3.0862 3.0880 3.0880 6.3191 6.3191 6.3192 6.3192
6.7673 6.7673 6.7687 6.7687 7.2364 7.2364 7.2495 7.2495
8.2008 8.2008 8.2076 8.2076 9.0909 9.0909 9.0990 9.0990
9.3341 9.3341 9.3419 9.3419 9.9169 9.9169 9.9236 9.9236
11.3859 11.3859 11.4308 11.4308 11.8913 11.8913 11.9730 11.9730
k = 0.0114 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.8038 -4.8038 -4.8038 -4.8038 -3.0133 -3.0133 -3.0131 -3.0131
3.0833 3.0833 3.0842 3.0842 6.3302 6.3302 6.3303 6.3303
6.7663 6.7663 6.7669 6.7669 7.2436 7.2436 7.2501 7.2501
8.2170 8.2170 8.2205 8.2205 9.0848 9.0848 9.0890 9.0890
9.3381 9.3381 9.3421 9.3421 9.9183 9.9183 9.9218 9.9218
11.4190 11.4190 11.4438 11.4438 11.9014 11.9014 11.9451 11.9451
k = 0.0000 0.3732-0.0000 ( 3544 PWs) bands (ev):
-4.8045 -4.8045 -4.8045 -4.8045 -3.0135 -3.0135 -3.0135 -3.0135
3.0826 3.0826 3.0826 3.0826 6.3339 6.3339 6.3340 6.3340
6.7660 6.7660 6.7661 6.7661 7.2480 7.2480 7.2482 7.2482
8.2237 8.2237 8.2239 8.2239 9.0840 9.0840 9.0842 9.0842
9.3406 9.3406 9.3410 9.3410 9.9198 9.9198 9.9201 9.9201
11.4393 11.4393 11.4394 11.4394 11.9199 11.9199 11.9201 11.9201
k = 0.0000 0.3732-0.0000 ( 3544 PWs) bands (ev):
-4.8045 -4.8045 -4.8045 -4.8045 -3.0135 -3.0135 -3.0135 -3.0135
3.0826 3.0826 3.0826 3.0826 6.3339 6.3339 6.3340 6.3340
6.7660 6.7660 6.7661 6.7661 7.2480 7.2480 7.2482 7.2482
8.2237 8.2237 8.2239 8.2239 9.0840 9.0840 9.0842 9.0842
9.3406 9.3406 9.3410 9.3410 9.9198 9.9198 9.9201 9.9201
11.4393 11.4393 11.4394 11.4394 11.9199 11.9199 11.9201 11.9201
k = 0.0000 0.3619-0.0000 ( 3536 PWs) bands (ev):
-4.8724 -4.8724 -4.7358 -4.7358 -3.0272 -3.0272 -2.9996 -2.9996
3.0816 3.0816 3.0881 3.0881 6.3196 6.3196 6.3494 6.3494
6.6713 6.6713 6.8274 6.8274 7.2063 7.2063 7.3207 7.3207
8.1768 8.1768 8.2699 8.2699 9.0538 9.0538 9.1111 9.1111
9.3376 9.3376 9.3433 9.3433 9.8785 9.8785 9.9600 9.9600
11.4262 11.4262 11.4501 11.4501 11.8869 11.8869 11.9560 11.9560
k = 0.0000 0.3506-0.0000 ( 3534 PWs) bands (ev):
-4.9393 -4.9393 -4.6665 -4.6665 -3.0402 -3.0402 -2.9856 -2.9856
3.0851 3.0851 3.0980 3.0980 6.3057 6.3057 6.3656 6.3656
6.5517 6.5517 6.8564 6.8564 7.1893 7.1893 7.4206 7.4206
8.1290 8.1290 8.3152 8.3152 9.0199 9.0199 9.1349 9.1349
9.3336 9.3336 9.3451 9.3451 9.8360 9.8360 9.9977 9.9977
11.4112 11.4112 11.4581 11.4581 11.8573 11.8573 11.9942 11.9942
k = 0.0000 0.3393-0.0000 ( 3536 PWs) bands (ev):
-5.0049 -5.0049 -4.5969 -4.5969 -3.0525 -3.0525 -2.9716 -2.9716
3.0932 3.0932 3.1121 3.1121 6.2906 6.2906 6.3811 6.3811
6.4208 6.4208 6.8623 6.8623 7.1880 7.1880 7.5376 7.5376
8.0804 8.0804 8.3595 8.3595 8.9821 8.9821 9.1559 9.1559
9.3289 9.3289 9.3462 9.3462 9.7931 9.7931 10.0324 10.0324
11.3951 11.3951 11.4629 11.4629 11.8320 11.8320 12.0341 12.0341
k = 0.0000 0.3280-0.0000 ( 3536 PWs) bands (ev):
-5.0693 -5.0693 -4.5273 -4.5273 -3.0638 -3.0638 -2.9578 -2.9578
3.1060 3.1060 3.1303 3.1303 6.2439 6.2439 6.3080 6.3080
6.4029 6.4029 6.8543 6.8543 7.1953 7.1953 7.6627 7.6627
8.0312 8.0312 8.4029 8.4029 8.9401 8.9401 9.1740 9.1740
9.3237 9.3237 9.3468 9.3468 9.7502 9.7502 10.0632 10.0632
11.3787 11.3787 11.4643 11.4643 11.8115 11.8115 12.0751 12.0751
k = 0.0000 0.3167-0.0000 ( 3532 PWs) bands (ev):
-5.1322 -5.1322 -4.4580 -4.4580 -3.0735 -3.0735 -2.9444 -2.9444
3.1235 3.1235 3.1525 3.1525 6.1079 6.1079 6.2842 6.2842
6.4220 6.4220 6.8384 6.8384 7.2067 7.2067 7.7900 7.7900
7.9814 7.9814 8.4454 8.4454 8.8937 8.8937 9.1894 9.1894
9.3180 9.3180 9.3469 9.3469 9.7077 9.7077 10.0893 10.0893
11.3629 11.3629 11.4623 11.4623 11.7967 11.7967 12.1168 12.1168
k = 0.0000 0.3054-0.0000 ( 3536 PWs) bands (ev):
-5.1935 -5.1935 -4.3896 -4.3896 -3.0814 -3.0814 -2.9313 -2.9313
3.1458 3.1458 3.1785 3.1785 5.9560 5.9560 6.2743 6.2743
6.4422 6.4422 6.8179 6.8179 7.2198 7.2198 7.9152 7.9152
7.9316 7.9316 8.4870 8.4870 8.8428 8.8428 9.2015 9.2015
9.3122 9.3122 9.3467 9.3467 9.6658 9.6658 10.1098 10.1098
11.3489 11.3489 11.4565 11.4565 11.7883 11.7883 12.1274 12.1274
k = 0.0000 0.2941-0.0000 ( 3534 PWs) bands (ev):
-5.2531 -5.2531 -4.3226 -4.3226 -3.0869 -3.0869 -2.9188 -2.9188
3.1728 3.1728 3.2081 3.2081 5.8007 5.8007 6.2673 6.2673
6.4635 6.4635 6.7948 6.7948 7.2330 7.2330 7.8803 7.8803
8.0371 8.0371 8.5278 8.5278 8.7877 8.7877 9.2100 9.2100
9.3071 9.3071 9.3464 9.3464 9.6249 9.6249 10.1240 10.1240
11.3378 11.3378 11.4468 11.4468 11.7868 11.7868 12.0686 12.0686
k = 0.0000 0.2828-0.0000 ( 3546 PWs) bands (ev):
-5.3110 -5.3110 -4.2574 -4.2574 -3.0895 -3.0895 -2.9068 -2.9068
3.2045 3.2045 3.2414 3.2414 5.6443 5.6443 6.2620 6.2620
6.4855 6.4855 6.7700 6.7700 7.2455 7.2455 7.8294 7.8294
8.1509 8.1509 8.5679 8.5679 8.7291 8.7291 9.2139 9.2139
9.3032 9.3032 9.3463 9.3463 9.5852 9.5852 10.1314 10.1314
11.3303 11.3303 11.4334 11.4334 11.7925 11.7925 12.0142 12.0142
k = 0.0000 0.2714-0.0000 ( 3550 PWs) bands (ev):
-5.3670 -5.3670 -4.1949 -4.1949 -3.0886 -3.0886 -2.8954 -2.8954
3.2409 3.2409 3.2781 3.2781 5.4877 5.4877 6.2583 6.2583
6.5083 6.5083 6.7443 6.7443 7.2565 7.2565 7.7784 7.7784
8.2528 8.2528 8.6064 8.6064 8.6712 8.6712 9.2127 9.2127
9.3010 9.3010 9.3468 9.3468 9.5469 9.5469 10.1318 10.1318
11.3274 11.3274 11.4165 11.4165 11.8049 11.8049 11.9658 11.9658
k = 0.0000 0.2601-0.0000 ( 3550 PWs) bands (ev):
-5.4212 -5.4212 -4.1358 -4.1358 -3.0835 -3.0835 -2.8847 -2.8847
3.2817 3.2817 3.3183 3.3183 5.3317 5.3317 6.2560 6.2560
6.5316 6.5316 6.7181 6.7181 7.2656 7.2656 7.7273 7.7273
8.3324 8.3324 8.6112 8.6112 8.6553 8.6553 9.2064 9.2064
9.3001 9.3001 9.3483 9.3483 9.5103 9.5103 10.1252 10.1252
11.3283 11.3283 11.3980 11.3980 11.8203 11.8203 11.9273 11.9273
k = 0.0000 0.2488-0.0000 ( 3554 PWs) bands (ev):
-5.4733 -5.4733 -4.0808 -4.0808 -3.0735 -3.0735 -2.8746 -2.8746
3.3267 3.3267 3.3619 3.3619 5.1768 5.1768 6.2551 6.2551
6.5552 6.5552 6.6918 6.6918 7.2725 7.2725 7.6764 7.6764
8.3630 8.3630 8.5947 8.5947 8.6949 8.6949 9.1957 9.1957
9.2995 9.2995 9.3510 9.3510 9.4760 9.4760 10.1117 10.1117
11.3281 11.3281 11.3841 11.3841 11.8243 11.8243 11.9129 11.9129
k = 0.0000 0.2375-0.0000 ( 3558 PWs) bands (ev):
-5.5235 -5.5235 -4.0308 -4.0308 -3.0579 -3.0579 -2.8653 -2.8653
3.3751 3.3751 3.4094 3.4094 5.0234 5.0234 6.2558 6.2558
6.5787 6.5787 6.6659 6.6659 7.2767 7.2767 7.6258 7.6258
8.3265 8.3265 8.6240 8.6240 8.7404 8.7404 9.1815 9.1815
9.2983 9.2983 9.3540 9.3540 9.4451 9.4451 10.0920 10.0920
11.3152 11.3152 11.3876 11.3876 11.8041 11.8041 11.9349 11.9349
k = 0.0000 0.2262-0.0000 ( 3558 PWs) bands (ev):
-5.5715 -5.5715 -3.9863 -3.9863 -3.0363 -3.0363 -2.8566 -2.8566
3.4261 3.4261 3.4614 3.4614 4.8721 4.8721 6.2578 6.2578
6.5993 6.5993 6.6432 6.6432 7.2781 7.2781 7.5757 7.5757
8.2519 8.2519 8.6712 8.6712 8.7905 8.7905 9.1646 9.1646
9.2963 9.2963 9.3545 9.3545 9.4206 9.4206 10.0668 10.0668
11.2900 11.2900 11.4086 11.4086 11.7751 11.7751 11.9772 11.9772
k = 0.0000 0.2149-0.0000 ( 3560 PWs) bands (ev):
-5.6175 -5.6175 -3.9479 -3.9479 -3.0082 -3.0082 -2.8487 -2.8487
3.4784 3.4784 3.5187 3.5187 4.7232 4.7232 6.2613 6.2613
6.5994 6.5994 6.6412 6.6412 7.2764 7.2764 7.5263 7.5263
8.1608 8.1608 8.7163 8.7163 8.8438 8.8438 9.1457 9.1457
9.2930 9.2930 9.3459 9.3459 9.4091 9.4091 10.0367 10.0367
11.2600 11.2600 11.4396 11.4396 11.7471 11.7471 12.0299 12.0299
k = 0.0000 0.2036-0.0000 ( 3564 PWs) bands (ev):
-5.6613 -5.6613 -3.9157 -3.9157 -2.9739 -2.9739 -2.8414 -2.8414
3.5314 3.5314 3.5817 3.5817 4.5772 4.5772 6.2661 6.2661
6.5770 6.5770 6.6617 6.6617 7.2712 7.2712 7.4780 7.4780
8.0606 8.0606 8.7560 8.7560 8.8967 8.8967 9.1254 9.1254
9.2880 9.2880 9.3276 9.3276 9.4111 9.4111 10.0026 10.0026
11.2285 11.2285 11.4752 11.4752 11.7247 11.7247 12.0896 12.0896
k = 0.0000 0.1923-0.0000 ( 3560 PWs) bands (ev):
-5.7029 -5.7029 -3.8895 -3.8895 -2.9336 -2.9336 -2.8348 -2.8348
3.5846 3.5846 3.6503 3.6503 4.4346 4.4346 6.2723 6.2723
6.5507 6.5507 6.6860 6.6860 7.2622 7.2622 7.4312 7.4312
7.9541 7.9541 8.7914 8.7914 8.9454 8.9454 9.1048 9.1048
9.2800 9.2800 9.3079 9.3079 9.4203 9.4203 9.9653 9.9653
11.1971 11.1971 11.5081 11.5081 11.7146 11.7146 12.1547 12.1547
k = 0.0000 0.1810-0.0000 ( 3560 PWs) bands (ev):
-5.7422 -5.7422 -3.8689 -3.8689 -2.8879 -2.8879 -2.8288 -2.8288
3.6382 3.6382 3.7240 3.7240 4.2959 4.2959 6.2799 6.2799
6.5232 6.5232 6.7109 6.7109 7.2488 7.2488 7.3865 7.3865
7.8432 7.8432 8.8237 8.8237 8.9866 8.9866 9.0858 9.0858
9.2650 9.2650 9.2944 9.2944 9.4327 9.4327 9.9255 9.9255
11.1664 11.1664 11.5267 11.5267 11.7271 11.7271 12.2239 12.2239
k = 0.0000 0.1697-0.0000 ( 3554 PWs) bands (ev):
-5.7793 -5.7793 -3.8534 -3.8534 -2.8381 -2.8381 -2.8233 -2.8233
3.6918 3.6918 3.8025 3.8025 4.1616 4.1616 6.2888 6.2888
6.4948 6.4948 6.7358 6.7358 7.2302 7.2302 7.3450 7.3450
7.7291 7.7291 8.8539 8.8539 9.0122 9.0122 9.0763 9.0763
9.2446 9.2446 9.2868 9.2868 9.4469 9.4469 9.8838 9.8838
11.1372 11.1372 11.5246 11.5246 11.7673 11.7673 12.2961 12.2961
k = 0.0000 0.1583-0.0000 ( 3540 PWs) bands (ev):
-5.8142 -5.8142 -3.8421 -3.8421 -2.8188 -2.8188 -2.7843 -2.7843
3.7448 3.7448 3.8854 3.8854 4.0326 4.0326 6.2989 6.2989
6.4653 6.4653 6.7605 6.7605 7.2057 7.2057 7.3076 7.3076
7.6134 7.6134 8.8821 8.8821 9.0100 9.0100 9.0892 9.0892
9.2232 9.2232 9.2814 9.2814 9.4621 9.4621 9.8411 9.8411
11.1099 11.1099 11.5082 11.5082 11.8276 11.8276 12.3705 12.3705
k = 0.0000 0.1470-0.0000 ( 3541 PWs) bands (ev):
-5.8467 -5.8467 -3.8344 -3.8344 -2.8145 -2.8145 -2.7287 -2.7287
3.7944 3.7944 3.9114 3.9114 3.9733 3.9733 6.3101 6.3101
6.4341 6.4341 6.7845 6.7845 7.1752 7.1752 7.2745 7.2745
7.4974 7.4974 8.9081 8.9081 8.9932 8.9932 9.1123 9.1123
9.2025 9.2025 9.2768 9.2768 9.4778 9.4778 9.7977 9.7977
11.0846 11.0846 11.4849 11.4849 11.8994 11.8994 12.4458 12.4458
k = 0.0000 0.1357-0.0000 ( 3537 PWs) bands (ev):
-5.8769 -5.8769 -3.8295 -3.8295 -2.8108 -2.8108 -2.6720 -2.6720
3.7760 3.7760 3.8639 3.8639 4.0644 4.0644 6.3219 6.3219
6.4008 6.4008 6.8077 6.8077 7.1397 7.1397 7.2449 7.2449
7.3830 7.3830 8.9293 8.9293 8.9766 8.9766 9.1347 9.1347
9.1830 9.1830 9.2726 9.2726 9.4938 9.4938 9.7545 9.7545
11.0614 11.0614 11.4587 11.4587 11.9774 11.9774 12.5213 12.5213
k = 0.0000 0.1244-0.0000 ( 3529 PWs) bands (ev):
-5.9047 -5.9047 -3.8268 -3.8268 -2.8075 -2.8075 -2.6151 -2.6151
3.6697 3.6697 3.9093 3.9093 4.1597 4.1597 6.3316 6.3316
6.3671 6.3671 6.8299 6.8299 7.1008 7.1008 7.2172 7.2172
7.2729 7.2729 8.9319 8.9319 8.9773 8.9773 9.1540 9.1540
9.1650 9.1650 9.2688 9.2688 9.5091 9.5091 9.7122 9.7122
11.0406 11.0406 11.4313 11.4313 12.0584 12.0584 12.5955 12.5955
k = 0.0000 0.1131-0.0000 ( 3537 PWs) bands (ev):
-5.9302 -5.9302 -3.8258 -3.8258 -2.8047 -2.8047 -2.5592 -2.5592
3.5650 3.5650 3.9581 3.9581 4.2588 4.2588 6.3120 6.3120
6.3584 6.3584 6.8504 6.8504 7.0586 7.0586 7.1671 7.1671
7.1940 7.1940 8.9158 8.9158 8.9966 8.9966 9.1480 9.1480
9.1706 9.1706 9.2653 9.2653 9.5225 9.5225 9.6721 9.6721
11.0220 11.0220 11.4040 11.4040 12.1400 12.1400 12.6658 12.6658
k = 0.0000 0.1018-0.0000 ( 3537 PWs) bands (ev):
-5.9533 -5.9533 -3.8260 -3.8260 -2.8023 -2.8023 -2.5052 -2.5052
3.4670 3.4670 4.0056 4.0056 4.3613 4.3613 6.2644 6.2644
6.3716 6.3716 6.8684 6.8684 7.0097 7.0097 7.0812 7.0812
7.1672 7.1672 8.8963 8.8963 9.0199 9.0199 9.1331 9.1331
9.1841 9.1841 9.2621 9.2621 9.5309 9.5309 9.6374 9.6374
11.0055 11.0055 11.3773 11.3773 12.2205 12.2205 12.7154 12.7154
k = 0.0000 0.0905-0.0000 ( 3543 PWs) bands (ev):
-5.9739 -5.9739 -3.8269 -3.8269 -2.8002 -2.8002 -2.4540 -2.4540
3.3769 3.3769 4.0504 4.0504 4.4671 4.4671 6.2056 6.2056
6.3877 6.3877 6.8794 6.8794 6.9512 6.9512 7.0200 7.0200
7.1423 7.1423 8.8774 8.8774 9.0437 9.0437 9.1198 9.1198
9.1950 9.1950 9.2593 9.2593 9.5273 9.5273 9.6151 9.6151
10.9912 10.9912 11.3519 11.3519 12.2979 12.2979 12.7367 12.7367
k = 0.0000 0.0792-0.0000 ( 3541 PWs) bands (ev):
-5.9922 -5.9922 -3.8284 -3.8284 -2.7985 -2.7985 -2.4064 -2.4064
3.2954 3.2954 4.0921 4.0921 4.5759 4.5759 6.1357 6.1357
6.4049 6.4049 6.8545 6.8545 6.9207 6.9207 6.9784 6.9784
7.1186 7.1186 8.8598 8.8598 9.0673 9.0673 9.1087 9.1087
9.2037 9.2037 9.2568 9.2568 9.5062 9.5062 9.6106 9.6106
10.9789 10.9789 11.3282 11.3282 12.3709 12.3709 12.7516 12.7516
k = 0.0000 0.0679-0.0000 ( 3537 PWs) bands (ev):
-6.0081 -6.0081 -3.8301 -3.8301 -2.7970 -2.7970 -2.3634 -2.3634
3.2232 3.2232 4.1297 4.1297 4.6875 4.6875 6.0544 6.0544
6.4227 6.4227 6.7990 6.7990 6.9195 6.9195 6.9514 6.9514
7.0964 7.0964 8.8441 8.8441 9.0859 9.0859 9.1043 9.1043
9.2106 9.2106 9.2548 9.2548 9.4748 9.4748 9.6166 9.6166
10.9685 10.9685 11.3067 11.3067 12.4378 12.4378 12.7639 12.7639
k = 0.0000 0.0566-0.0000 ( 3545 PWs) bands (ev):
-6.0215 -6.0215 -3.8318 -3.8318 -2.7959 -2.7959 -2.3256 -2.3256
3.1609 3.1609 4.1629 4.1629 4.8015 4.8015 5.9622 5.9622
6.4407 6.4407 6.7484 6.7484 6.9015 6.9015 6.9497 6.9497
7.0762 7.0762 8.8304 8.8304 9.0848 9.0848 9.1215 9.1215
9.2158 9.2158 9.2531 9.2531 9.4405 9.4405 9.6255 9.6255
10.9598 10.9598 11.2877 11.2877 12.4972 12.4972 12.7742 12.7742
k = 0.0000 0.0452-0.0000 ( 3543 PWs) bands (ev):
-6.0326 -6.0326 -3.8335 -3.8335 -2.7949 -2.7949 -2.2937 -2.2937
3.1090 3.1090 4.1909 4.1909 4.9176 4.9176 5.8610 5.8610
6.4584 6.4584 6.7073 6.7073 6.8776 6.8776 6.9574 6.9574
7.0586 7.0586 8.8191 8.8191 9.0787 9.0787 9.1455 9.1455
9.2198 9.2198 9.2517 9.2517 9.4063 9.4063 9.6345 9.6345
10.9529 10.9529 11.2716 11.2716 12.5479 12.5479 12.7825 12.7825
k = 0.0000 0.0339-0.0000 ( 3543 PWs) bands (ev):
-6.0411 -6.0411 -3.8349 -3.8349 -2.7942 -2.7942 -2.2682 -2.2682
3.0681 3.0681 4.2134 4.2134 5.0351 5.0351 5.7528 5.7528
6.4750 6.4750 6.6753 6.6753 6.8568 6.8568 6.9650 6.9650
7.0442 7.0442 8.8101 8.8101 9.0734 9.0734 9.1702 9.1702
9.2227 9.2227 9.2506 9.2506 9.3735 9.3735 9.6421 9.6421
10.9476 10.9476 11.2587 11.2587 12.5887 12.5887 12.7889 12.7889
k = 0.0000 0.0226-0.0000 ( 3543 PWs) bands (ev):
-6.0472 -6.0472 -3.8359 -3.8359 -2.7937 -2.7937 -2.2497 -2.2497
3.0386 3.0386 4.2297 4.2297 5.1532 5.1532 5.6402 5.6402
6.4893 6.4893 6.6518 6.6518 6.8410 6.8410 6.9709 6.9709
7.0335 7.0335 8.8036 8.8036 9.0696 9.0696 9.1942 9.1942
9.2250 9.2250 9.2495 9.2495 9.3435 9.3435 9.6480 9.6480
10.9439 10.9439 11.2493 11.2493 12.6186 12.6186 12.7934 12.7934
k = 0.0000 0.0113-0.0000 ( 3547 PWs) bands (ev):
-6.0509 -6.0509 -3.8366 -3.8366 -2.7935 -2.7935 -2.2384 -2.2384
3.0208 3.0208 4.2397 4.2397 5.2692 5.2692 5.5269 5.5269
6.4995 6.4995 6.6368 6.6368 6.8311 6.8311 6.9745 6.9745
7.0268 7.0268 8.7997 8.7997 9.0673 9.0673 9.2138 9.2138
9.2282 9.2282 9.2479 9.2479 9.3194 9.3194 9.6516 9.6516
10.9416 10.9416 11.2436 11.2436 12.6368 12.6368 12.7962 12.7962
k = 0.0000 0.0000 0.0000 ( 3551 PWs) bands (ev):
-6.0521 -6.0521 -3.8368 -3.8368 -2.7934 -2.7934 -2.2346 -2.2346
3.0148 3.0148 4.2430 4.2430 5.3514 5.3514 5.4455 5.4455
6.5033 6.5033 6.6316 6.6316 6.8277 6.8277 6.9757 6.9757
7.0246 7.0246 8.7984 8.7984 9.0665 9.0665 9.2201 9.2201
9.2337 9.2337 9.2457 9.2457 9.3088 9.3088 9.6528 9.6528
10.9408 10.9408 11.2417 11.2417 12.6429 12.6429 12.7971 12.7971
k = 0.0000 0.0000 0.0000 ( 3551 PWs) bands (ev):
-6.0521 -6.0521 -3.8368 -3.8368 -2.7934 -2.7934 -2.2346 -2.2346
3.0148 3.0148 4.2430 4.2430 5.3514 5.3514 5.4455 5.4455
6.5033 6.5033 6.6316 6.6316 6.8277 6.8277 6.9757 6.9757
7.0246 7.0246 8.7984 8.7984 9.0665 9.0665 9.2201 9.2201
9.2337 9.2337 9.2457 9.2457 9.3088 9.3088 9.6528 9.6528
10.9408 10.9408 11.2417 11.2417 12.6429 12.6429 12.7971 12.7971
k = 0.0000 0.0000 0.0111 ( 3547 PWs) bands (ev):
-6.0511 -6.0511 -3.8411 -3.8411 -2.7905 -2.7905 -2.2345 -2.2345
3.0157 3.0157 4.2453 4.2453 5.3483 5.3483 5.4472 5.4472
6.5011 6.5011 6.6178 6.6178 6.8224 6.8224 6.9739 6.9739
7.0505 7.0505 8.7996 8.7996 9.0514 9.0514 9.2200 9.2200
9.2321 9.2321 9.2597 9.2597 9.3098 9.3098 9.6518 9.6518
10.9403 10.9403 11.2389 11.2389 12.6423 12.6423 12.7963 12.7963
k = 0.0000 0.0000 0.0221 ( 3547 PWs) bands (ev):
-6.0478 -6.0478 -3.8537 -3.8537 -2.7821 -2.7821 -2.2342 -2.2342
3.0185 3.0185 4.2523 4.2523 5.3391 5.3391 5.4520 5.4520
6.4919 6.4919 6.5846 6.5846 6.8130 6.8130 6.9743 6.9743
7.1100 7.1100 8.8029 8.8029 9.0150 9.0150 9.2198 9.2198
9.2284 9.2284 9.2894 9.2894 9.3148 9.3148 9.6486 9.6486
10.9387 10.9387 11.2305 11.2305 12.6404 12.6404 12.7942 12.7942
k = 0.0000 0.0000 0.0332 ( 3543 PWs) bands (ev):
-6.0423 -6.0423 -3.8743 -3.8743 -2.7687 -2.7687 -2.2337 -2.2337
3.0232 3.0232 4.2639 4.2639 5.3237 5.3237 5.4600 5.4600
6.4653 6.4653 6.5533 6.5533 6.8055 6.8055 6.9781 6.9781
7.1850 7.1850 8.8082 8.8082 8.9689 8.9689 9.2192 9.2192
9.2226 9.2226 9.3067 9.3067 9.3408 9.3408 9.6434 9.6434
10.9359 10.9359 11.2168 11.2168 12.6373 12.6373 12.7907 12.7907
k = 0.0000 0.0000 0.0443 ( 3543 PWs) bands (ev):
-6.0347 -6.0347 -3.9020 -3.9020 -2.7508 -2.7508 -2.2330 -2.2330
3.0296 3.0296 4.2800 4.2800 5.3019 5.3019 5.4712 5.4712
6.4161 6.4161 6.5385 6.5385 6.7999 6.7999 6.9845 6.9845
7.2672 7.2672 8.8153 8.8153 8.9187 8.9187 9.2132 9.2132
9.2193 9.2193 9.3126 9.3126 9.3818 9.3818 9.6361 9.6361
10.9321 10.9321 11.1981 11.1981 12.6330 12.6330 12.7859 12.7859
k = 0.0000 0.0000 0.0554 ( 3547 PWs) bands (ev):
-6.0249 -6.0249 -3.9362 -3.9362 -2.7293 -2.7293 -2.2322 -2.2322
3.0379 3.0379 4.3007 4.3007 5.2737 5.2737 5.4856 5.4856
6.3565 6.3565 6.5332 6.5332 6.7951 6.7951 6.9930 6.9930
7.3522 7.3522 8.8218 8.8218 8.8686 8.8686 9.2013 9.2013
9.2185 9.2185 9.3183 9.3183 9.4245 9.4245 9.6269 9.6269
10.9272 10.9272 11.1749 11.1749 12.6273 12.6273 12.7800 12.7800
k = 0.0000 0.0000 0.0664 ( 3539 PWs) bands (ev):
-6.0129 -6.0129 -3.9758 -3.9758 -2.7050 -2.7050 -2.2312 -2.2312
3.0480 3.0480 4.3258 4.3258 5.2389 5.2389 5.5031 5.5031
6.2955 6.2955 6.5313 6.5313 6.7906 6.7906 7.0036 7.0036
7.4377 7.4377 8.8012 8.8012 8.8464 8.8464 9.1860 9.1860
9.2178 9.2178 9.3254 9.3254 9.4666 9.4666 9.6161 9.6161
10.9215 10.9215 11.1480 11.1480 12.6204 12.6204 12.7731 12.7731
k = 0.0000 0.0000 0.0775 ( 3537 PWs) bands (ev):
-5.9988 -5.9988 -4.0202 -4.0202 -2.6786 -2.6786 -2.2301 -2.2301
3.0598 3.0598 4.3552 4.3552 5.1978 5.1978 5.5239 5.5239
6.2367 6.2367 6.5311 6.5311 6.7861 6.7861 7.0160 7.0160
7.5217 7.5217 8.7492 8.7492 8.8564 8.8564 9.1673 9.1673
9.2170 9.2170 9.3338 9.3338 9.5070 9.5070 9.6038 9.6038
10.9150 10.9150 11.1180 11.1180 12.6123 12.6123 12.7651 12.7651
k = 0.0000 0.0000 0.0886 ( 3529 PWs) bands (ev):
-5.9825 -5.9825 -4.0684 -4.0684 -2.6509 -2.6509 -2.2288 -2.2288
3.0734 3.0734 4.3886 4.3886 5.1505 5.1505 5.5478 5.5478
6.1817 6.1817 6.5316 6.5316 6.7814 6.7814 7.0303 7.0303
7.6027 7.6027 8.6938 8.6938 8.8713 8.8713 9.1451 9.1451
9.2161 9.2161 9.3437 9.3437 9.5443 9.5443 9.5910 9.5910
10.9077 10.9077 11.0859 11.0859 12.6029 12.6029 12.7555 12.7555
k = 0.0000 0.0000 0.0996 ( 3519 PWs) bands (ev):
-5.9641 -5.9641 -4.1200 -4.1200 -2.6224 -2.6224 -2.2275 -2.2275
3.0887 3.0887 4.4259 4.4259 5.0977 5.0977 5.5750 5.5750
6.1309 6.1309 6.5328 6.5328 6.7763 6.7763 7.0465 7.0465
7.6792 7.6792 8.6375 8.6375 8.8884 8.8884 9.1197 9.1197
9.2153 9.2153 9.3549 9.3549 9.5649 9.5649 9.5914 9.5914
10.8999 10.8999 11.0528 11.0528 12.5922 12.5922 12.7408 12.7408
k = 0.0000 0.0000 0.1107 ( 3523 PWs) bands (ev):
-5.9436 -5.9436 -4.1742 -4.1742 -2.5937 -2.5937 -2.2261 -2.2261
3.1057 3.1057 4.4664 4.4664 5.0402 5.0402 5.6054 5.6054
6.0845 6.0845 6.5346 6.5346 6.7709 6.7709 7.0643 7.0643
7.7496 7.7496 8.5811 8.5811 8.9069 8.9069 9.0915 9.0915
9.2144 9.2144 9.3673 9.3673 9.5527 9.5527 9.6207 9.6207
10.8915 10.8915 11.0196 11.0196 12.5803 12.5803 12.7016 12.7016
k = 0.0000 0.0000 0.1218 ( 3521 PWs) bands (ev):
-5.9210 -5.9210 -4.2306 -4.2306 -2.5650 -2.5650 -2.2248 -2.2248
3.1245 3.1245 4.5095 4.5095 4.9793 4.9793 5.6391 5.6391
6.0422 6.0422 6.5367 6.5367 6.7651 6.7651 7.0839 7.0839
7.8121 7.8121 8.5248 8.5248 8.9268 8.9268 9.0615 9.0615
9.2138 9.2138 9.3809 9.3809 9.5355 9.5355 9.6514 9.6514
10.8830 10.8830 10.9874 10.9874 12.5667 12.5667 12.6395 12.6395
k = 0.0000 0.0000 0.1329 ( 3522 PWs) bands (ev):
-5.8963 -5.8963 -4.2888 -4.2888 -2.5369 -2.5369 -2.2234 -2.2234
3.1451 3.1451 4.5536 4.5536 4.9169 4.9169 5.6762 5.6762
6.0035 6.0035 6.5393 6.5393 6.7589 6.7589 7.1051 7.1051
7.8645 7.8645 8.4690 8.4690 8.9476 8.9476 9.0309 9.0309
9.2133 9.2133 9.3953 9.3953 9.5171 9.5171 9.6798 9.6798
10.8741 10.8741 10.9571 10.9571 12.5490 12.5490 12.5791 12.5791
k = 0.0000 0.0000 0.1439 ( 3526 PWs) bands (ev):
-5.8695 -5.8695 -4.3482 -4.3482 -2.5094 -2.5094 -2.2222 -2.2222
3.1675 3.1675 4.5950 4.5950 4.8572 4.8572 5.7166 5.7166
5.9682 5.9682 6.5423 6.5423 6.7524 6.7524 7.1278 7.1278
7.9043 7.9043 8.4137 8.4137 8.9682 8.9682 9.0022 9.0022
9.2131 9.2131 9.4100 9.4100 9.4986 9.4986 9.7053 9.7053
10.8653 10.8653 10.9295 10.9295 12.5078 12.5078 12.5448 12.5448
k = 0.0000 0.0000 0.1550 ( 3536 PWs) bands (ev):
-5.8408 -5.8408 -4.4088 -4.4088 -2.4829 -2.4829 -2.2210 -2.2210
3.1918 3.1918 4.6228 4.6228 4.8115 4.8115 5.7598 5.7598
5.9361 5.9361 6.5457 6.5457 6.7455 6.7455 7.1522 7.1522
7.9291 7.9291 8.3593 8.3593 8.9707 8.9707 8.9953 8.9953
9.2132 9.2132 9.4233 9.4233 9.4819 9.4819 9.7276 9.7276
10.8565 10.8565 10.9051 10.9051 12.4540 12.4540 12.5267 12.5267
k = 0.0000 0.0000 0.1661 ( 3542 PWs) bands (ev):
-5.8100 -5.8100 -4.4700 -4.4700 -2.4575 -2.4575 -2.2200 -2.2200
3.2180 3.2180 4.6135 4.6135 4.8034 4.8034 5.8038 5.8038
5.9091 5.9091 6.5496 6.5496 6.7383 6.7383 7.1782 7.1782
7.9364 7.9364 8.3059 8.3059 8.9516 8.9516 9.0159 9.0159
9.2139 9.2139 9.4286 9.4286 9.4734 9.4734 9.7467 9.7467
10.8481 10.8481 10.8844 10.8844 12.4038 12.4038 12.5095 12.5095
k = 0.0000 0.0000 0.1771 ( 3534 PWs) bands (ev):
-5.7772 -5.7772 -4.5317 -4.5317 -2.4333 -2.4333 -2.2193 -2.2193
3.2462 3.2462 4.5654 4.5654 4.8347 4.8347 5.8342 5.8342
5.9012 5.9012 6.5538 6.5538 6.7309 6.7309 7.2056 7.2056
7.9248 7.9248 8.2531 8.2531 8.9384 8.9384 9.0379 9.0379
9.2150 9.2150 9.4187 9.4187 9.4810 9.4810 9.7626 9.7626
10.8403 10.8403 10.8673 10.8673 12.3588 12.3588 12.4918 12.4918
k = 0.0000 0.0000 0.1882 ( 3538 PWs) bands (ev):
-5.7425 -5.7425 -4.5937 -4.5937 -2.4104 -2.4104 -2.2188 -2.2188
3.2765 3.2765 4.5009 4.5009 4.8833 4.8833 5.8247 5.8247
5.9385 5.9385 6.5585 6.5585 6.7232 6.7232 7.2344 7.2344
7.8943 7.8943 8.2007 8.2007 8.9332 8.9332 9.0597 9.0597
9.2165 9.2165 9.4008 9.4008 9.4971 9.4971 9.7751 9.7751
10.8330 10.8330 10.8537 10.8537 12.3194 12.3194 12.4733 12.4733
k = 0.0000 0.0000 0.1993 ( 3548 PWs) bands (ev):
-5.7059 -5.7059 -4.6557 -4.6557 -2.3889 -2.3889 -2.2187 -2.2187
3.3089 3.3089 4.4309 4.4309 4.9379 4.9379 5.7996 5.7996
5.9964 5.9964 6.5635 6.5635 6.7153 6.7153 7.2646 7.2646
7.8464 7.8464 8.1483 8.1483 8.9360 8.9360 9.0808 9.0808
9.2185 9.2185 9.3805 9.3805 9.5159 9.5159 9.7843 9.7843
10.8265 10.8265 10.8433 10.8433 12.2857 12.2857 12.4540 12.4540
k = 0.0000 0.0000 0.2104 ( 3548 PWs) bands (ev):
-5.6674 -5.6674 -4.7175 -4.7175 -2.3689 -2.3689 -2.2189 -2.2189
3.3435 3.3435 4.3591 4.3591 4.9948 4.9948 5.7714 5.7714
6.0623 6.0623 6.5690 6.5690 6.7072 6.7072 7.2962 7.2962
7.7835 7.7835 8.0956 8.0956 8.9456 8.9456 9.1008 9.1008
9.2208 9.2208 9.3600 9.3600 9.5362 9.5362 9.7902 9.7902
10.8210 10.8210 10.8356 10.8356 12.2579 12.2579 12.4339 12.4339
k = 0.0000 0.0000 0.2214 ( 3550 PWs) bands (ev):
-5.6271 -5.6271 -4.7791 -4.7791 -2.3502 -2.3502 -2.2197 -2.2197
3.3804 3.3804 4.2871 4.2871 5.0522 5.0522 5.7418 5.7418
6.1341 6.1341 6.5749 6.5749 6.6989 6.6989 7.3287 7.3287
7.7082 7.7082 8.0429 8.0429 8.9601 8.9601 9.1191 9.1191
9.2234 9.2234 9.3399 9.3399 9.5571 9.5571 9.7929 9.7929
10.8164 10.8164 10.8301 10.8301 12.2359 12.2359 12.4131 12.4131
k = 0.0000 0.0000 0.2325 ( 3554 PWs) bands (ev):
-5.5850 -5.5850 -4.8401 -4.8401 -2.3330 -2.3330 -2.2209 -2.2209
3.4196 3.4196 4.2157 4.2157 5.1090 5.1090 5.7112 5.7112
6.2114 6.2114 6.5811 6.5811 6.6905 6.6905 7.3618 7.3618
7.6236 7.6236 7.9905 7.9905 8.9780 8.9780 9.1353 9.1353
9.2261 9.2261 9.3206 9.3206 9.5784 9.5784 9.7925 9.7925
10.8128 10.8128 10.8262 10.8262 12.2196 12.2196 12.3917 12.3917
k = 0.0000 0.0000 0.2436 ( 3568 PWs) bands (ev):
-5.5412 -5.5412 -4.9006 -4.9006 -2.3172 -2.3172 -2.2228 -2.2228
3.4611 3.4611 4.1454 4.1454 5.1648 5.1648 5.6795 5.6795
6.2939 6.2939 6.5877 6.5877 6.6820 6.6820 7.3927 7.3927
7.5345 7.5345 7.9387 7.9387 8.9977 8.9977 9.1485 9.1485
9.2286 9.2286 9.3028 9.3028 9.5998 9.5998 9.7892 9.7892
10.8102 10.8102 10.8233 10.8233 12.2091 12.2091 12.3697 12.3697
k = 0.0000 0.0000 0.2546 ( 3572 PWs) bands (ev):
-5.4956 -5.4956 -4.9604 -4.9604 -2.3029 -2.3029 -2.2253 -2.2253
3.5051 3.5051 4.0765 4.0765 5.2189 5.2189 5.6466 5.6466
6.3814 6.3814 6.5948 6.5948 6.6736 6.6736 7.3934 7.3934
7.4710 7.4710 7.8878 7.8878 9.0185 9.0185 9.1575 9.1575
9.2311 9.2311 9.2875 9.2875 9.6211 9.6211 9.7832 9.7832
10.8085 10.8085 10.8212 10.8212 12.2040 12.2040 12.3475 12.3475
k = 0.0000 0.0000 0.2657 ( 3574 PWs) bands (ev):
-5.4484 -5.4484 -5.0193 -5.0193 -2.2898 -2.2898 -2.2286 -2.2286
3.5515 3.5515 4.0094 4.0094 5.2710 5.2710 5.6123 5.6123
6.4731 6.4731 6.6026 6.6026 6.6651 6.6651 7.3102 7.3102
7.4885 7.4885 7.8379 7.8379 9.0395 9.0395 9.1610 9.1610
9.2339 9.2339 9.2755 9.2755 9.6422 9.6422 9.7746 9.7746
10.8078 10.8078 10.8193 10.8193 12.2040 12.2040 12.3254 12.3254
k = 0.0000 0.0000 0.2768 ( 3566 PWs) bands (ev):
-5.3996 -5.3996 -5.0772 -5.0772 -2.2782 -2.2782 -2.2327 -2.2327
3.6004 3.6004 3.9443 3.9443 5.3211 5.3211 5.5765 5.5765
6.5662 6.5662 6.6134 6.6134 6.6568 6.6568 7.2066 7.2066
7.5248 7.5248 7.7893 7.7893 9.0603 9.0603 9.1578 9.1578
9.2375 9.2375 9.2668 9.2668 9.6628 9.6628 9.7638 9.7638
10.8080 10.8080 10.8175 10.8175 12.2086 12.2086 12.3036 12.3036
k = 0.0000 0.0000 0.2879 ( 3568 PWs) bands (ev):
-5.3493 -5.3493 -5.1341 -5.1341 -2.2677 -2.2677 -2.2376 -2.2376
3.6517 3.6517 3.8812 3.8812 5.3690 5.3690 5.5389 5.5389
6.6121 6.6121 6.6466 6.6466 6.6775 6.6775 7.0994 7.0994
7.5649 7.5649 7.7417 7.7417 9.0805 9.0805 9.1485 9.1485
9.2419 9.2419 9.2607 9.2607 9.6828 9.6828 9.7508 9.7508
10.8088 10.8088 10.8157 10.8157 12.2174 12.2174 12.2826 12.2826
k = 0.0000 0.0000 0.2989 ( 3572 PWs) bands (ev):
-5.2975 -5.2975 -5.1898 -5.1898 -2.2585 -2.2585 -2.2436 -2.2436
3.7055 3.7055 3.8203 3.8203 5.4146 5.4146 5.4995 5.4995
6.6222 6.6222 6.6391 6.6391 6.7781 6.7781 6.9912 6.9912
7.6069 7.6069 7.6955 7.6955 9.1000 9.1000 9.1348 9.1348
9.2466 9.2466 9.2558 9.2558 9.7016 9.7016 9.7360 9.7360
10.8102 10.8102 10.8138 10.8138 12.2298 12.2298 12.2630 12.2630
k = 0.0000 0.0000 0.3100 ( 3568 PWs) bands (ev):
-5.2443 -5.2443 -5.2443 -5.2443 -2.2505 -2.2505 -2.2505 -2.2505
3.7617 3.7617 3.7617 3.7617 5.4581 5.4581 5.4581 5.4581
6.6307 6.6307 6.6308 6.6308 6.8836 6.8836 6.8837 6.8837
7.6504 7.6504 7.6506 7.6506 9.1182 9.1182 9.1184 9.1184
9.2511 9.2511 9.2515 9.2515 9.7193 9.7193 9.7197 9.7197
10.8118 10.8118 10.8120 10.8120 12.2451 12.2451 12.2453 12.2453
k = 0.0000 0.0000 0.3100 ( 3568 PWs) bands (ev):
-5.2443 -5.2443 -5.2443 -5.2443 -2.2505 -2.2505 -2.2505 -2.2505
3.7617 3.7617 3.7617 3.7617 5.4581 5.4581 5.4581 5.4581
6.6307 6.6307 6.6308 6.6308 6.8836 6.8836 6.8837 6.8837
7.6504 7.6504 7.6506 7.6506 9.1182 9.1182 9.1184 9.1184
9.2511 9.2511 9.2515 9.2515 9.7193 9.7193 9.7197 9.7197
10.8118 10.8118 10.8120 10.8120 12.2451 12.2451 12.2453 12.2453
k = 0.0114-0.0000 0.3100 ( 3572 PWs) bands (ev):
-5.2435 -5.2435 -5.2435 -5.2435 -2.2506 -2.2506 -2.2504 -2.2504
3.7625 3.7625 3.7629 3.7629 5.4578 5.4578 5.4588 5.4588
6.6280 6.6280 6.6282 6.6282 6.8759 6.8759 6.8835 6.8835
7.6418 7.6418 7.6576 7.6576 9.1173 9.1173 9.1198 9.1198
9.2498 9.2498 9.2549 9.2549 9.7207 9.7207 9.7217 9.7217
10.8132 10.8132 10.8153 10.8153 12.2361 12.2361 12.2507 12.2507
k = 0.0227-0.0000 0.3100 ( 3574 PWs) bands (ev):
-5.2410 -5.2410 -5.2410 -5.2410 -2.2507 -2.2507 -2.2504 -2.2504
3.7652 3.7652 3.7661 3.7661 5.4577 5.4577 5.4597 5.4597
6.6200 6.6200 6.6202 6.6202 6.8606 6.8606 6.8753 6.8753
7.6322 7.6322 7.6628 7.6628 9.1167 9.1167 9.1210 9.1210
9.2505 9.2506 9.2610 9.2610 9.7251 9.7251 9.7271 9.7271
10.8192 10.8192 10.8236 10.8236 12.2232 12.2232 12.2526 12.2526
k = 0.0341-0.0000 0.3100 ( 3570 PWs) bands (ev):
-5.2368 -5.2368 -5.2368 -5.2368 -2.2509 -2.2509 -2.2504 -2.2504
3.7700 3.7700 3.7713 3.7713 5.4579 5.4579 5.4609 5.4609
6.6063 6.6063 6.6066 6.6066 6.8385 6.8385 6.8592 6.8592
7.6227 7.6227 7.6664 7.6664 9.1156 9.1156 9.1208 9.1208
9.2538 9.2538 9.2698 9.2698 9.7327 9.7327 9.7356 9.7356
10.8299 10.8299 10.8365 10.8365 12.2063 12.2063 12.2507 12.2507
k = 0.0455-0.0000 0.3100 ( 3574 PWs) bands (ev):
-5.2309 -5.2309 -5.2309 -5.2309 -2.2511 -2.2511 -2.2504 -2.2504
3.7766 3.7766 3.7785 3.7785 5.4580 5.4580 5.4620 5.4620
6.5867 6.5867 6.5868 6.5868 6.8110 6.8110 6.8361 6.8361
7.6144 7.6144 7.6689 7.6689 9.1125 9.1125 9.1180 9.1180
9.2599 9.2599 9.2813 9.2813 9.7431 9.7431 9.7471 9.7471
10.8454 10.8454 10.8543 10.8543 12.1848 12.1848 12.2445 12.2445
k = 0.0568-0.0000 0.3100 ( 3578 PWs) bands (ev):
-5.2234 -5.2234 -5.2234 -5.2234 -2.2514 -2.2514 -2.2505 -2.2505
3.7852 3.7852 3.7876 3.7876 5.4578 5.4578 5.4629 5.4629
6.5603 6.5603 6.5605 6.5605 6.7795 6.7795 6.8075 6.8075
7.6081 7.6081 7.6712 7.6712 9.1067 9.1067 9.1121 9.1121
9.2686 9.2686 9.2949 9.2949 9.7562 9.7562 9.7612 9.7612
10.8655 10.8655 10.8768 10.8768 12.1583 12.1583 12.2330 12.2330
k = 0.0682-0.0000 0.3100 ( 3566 PWs) bands (ev):
-5.2143 -5.2143 -5.2143 -5.2143 -2.2517 -2.2517 -2.2507 -2.2507
3.7956 3.7956 3.7987 3.7987 5.4569 5.4569 5.4632 5.4632
6.5267 6.5267 6.5272 6.5272 6.7460 6.7460 6.7754 6.7754
7.6046 7.6046 7.6737 7.6737 9.0978 9.0978 9.1030 9.1030
9.2789 9.2789 9.3093 9.3093 9.7715 9.7715 9.7775 9.7775
10.8902 10.8902 10.9039 10.9039 12.1262 12.1262 12.2149 12.2149
k = 0.0795-0.0000 0.3100 ( 3560 PWs) bands (ev):
-5.2035 -5.2035 -5.2035 -5.2035 -2.2521 -2.2521 -2.2510 -2.2510
3.8078 3.8078 3.8116 3.8116 5.4548 5.4548 5.4622 5.4622
6.4854 6.4854 6.4866 6.4866 6.7125 6.7125 6.7421 6.7421
7.6037 7.6037 7.6769 7.6769 9.0860 9.0860 9.0910 9.0910
9.2898 9.2898 9.3235 9.3235 9.7886 9.7886 9.7955 9.7955
10.9193 10.9193 10.9353 10.9353 12.0882 12.0882 12.1885 12.1885
k = 0.0909-0.0000 0.3100 ( 3568 PWs) bands (ev):
-5.1912 -5.1912 -5.1912 -5.1912 -2.2527 -2.2527 -2.2514 -2.2514
3.8218 3.8218 3.8263 3.8263 5.4506 5.4506 5.4593 5.4593
6.4371 6.4371 6.4396 6.4396 6.6802 6.6802 6.7094 6.7094
7.6054 7.6054 7.6809 7.6809 9.0715 9.0715 9.0764 9.0764
9.3000 9.3000 9.3360 9.3360 9.8066 9.8066 9.8145 9.8145
10.9525 10.9525 10.9707 10.9707 12.0441 12.0441 12.1523 12.1523
k = 0.1023-0.0000 0.3100 ( 3564 PWs) bands (ev):
-5.1773 -5.1773 -5.1773 -5.1773 -2.2533 -2.2533 -2.2519 -2.2519
3.8374 3.8374 3.8429 3.8429 5.4436 5.4436 5.4534 5.4534
6.3835 6.3835 6.3878 6.3878 6.6497 6.6497 6.6782 6.6782
7.6092 7.6092 7.6859 7.6859 9.0548 9.0548 9.0597 9.0597
9.3086 9.3086 9.3464 9.3464 9.8251 9.8251 9.8338 9.8338
10.9892 10.9892 11.0095 11.0095 11.9943 11.9943 12.1058 12.1058
k = 0.1136-0.0000 0.3100 ( 3554 PWs) bands (ev):
-5.1619 -5.1619 -5.1619 -5.1619 -2.2542 -2.2542 -2.2526 -2.2526
3.8546 3.8546 3.8611 3.8611 5.4325 5.4325 5.4434 5.4434
6.3273 6.3273 6.3339 6.3339 6.6209 6.6209 6.6488 6.6488
7.6146 7.6146 7.6915 7.6915 9.0363 9.0363 9.0411 9.0411
9.3150 9.3150 9.3541 9.3541 9.8435 9.8435 9.8528 9.8528
11.0289 11.0289 11.0509 11.0509 11.9399 11.9399 12.0499 12.0499
k = 0.1250-0.0000 0.3100 ( 3558 PWs) bands (ev):
-5.1451 -5.1451 -5.1450 -5.1450 -2.2552 -2.2552 -2.2535 -2.2535
3.8732 3.8732 3.8810 3.8810 5.4161 5.4161 5.4277 5.4277
6.2715 6.2715 6.2808 6.2808 6.5937 6.5937 6.6210 6.6210
7.6211 7.6211 7.6975 7.6975 9.0162 9.0162 9.0209 9.0209
9.3187 9.3187 9.3588 9.3588 9.8610 9.8610 9.8708 9.8708
11.0705 11.0705 11.0935 11.0935 11.8824 11.8824 11.9872 11.9872
k = 0.1364-0.0000 0.3100 ( 3558 PWs) bands (ev):
-5.1267 -5.1267 -5.1267 -5.1267 -2.2564 -2.2564 -2.2546 -2.2546
3.8931 3.8931 3.9024 3.9024 5.3930 5.3930 5.4048 5.4048
6.2193 6.2193 6.2314 6.2314 6.5678 6.5678 6.5947 6.5947
7.6281 7.6281 7.7037 7.7037 8.9947 8.9947 8.9993 8.9993
9.3198 9.3198 9.3604 9.3604 9.8772 9.8772 9.8873 9.8873
11.1126 11.1126 11.1357 11.1357 11.8242 11.8242 11.9211 11.9211
k = 0.1477-0.0000 0.3100 ( 3550 PWs) bands (ev):
-5.1071 -5.1071 -5.1070 -5.1070 -2.2579 -2.2579 -2.2559 -2.2559
3.9141 3.9141 3.9251 3.9251 5.3620 5.3620 5.3733 5.3733
6.1738 6.1738 6.1882 6.1882 6.5429 6.5429 6.5696 6.5696
7.6352 7.6352 7.7097 7.7097 8.9722 8.9722 8.9766 8.9766
9.3181 9.3181 9.3592 9.3592 9.8917 9.8917 9.9018 9.9018
11.1532 11.1532 11.1747 11.1747 11.7687 11.7687 11.8553 11.8553
k = 0.1591-0.0000 0.3100 ( 3540 PWs) bands (ev):
-5.0860 -5.0860 -5.0860 -5.0860 -2.2597 -2.2597 -2.2576 -2.2576
3.9359 3.9359 3.9490 3.9490 5.3225 5.3225 5.3323 5.3323
6.1370 6.1370 6.1533 6.1533 6.5191 6.5191 6.5456 6.5456
7.6419 7.6419 7.7151 7.7151 8.9486 8.9486 8.9528 8.9528
9.3137 9.3137 9.3551 9.3551 9.9042 9.9042 9.9141 9.9141
11.1891 11.1891 11.2065 11.2065 11.7205 11.7205 11.7945 11.7945
k = 0.1705-0.0000 0.3100 ( 3544 PWs) bands (ev):
-5.0637 -5.0637 -5.0637 -5.0637 -2.2618 -2.2618 -2.2595 -2.2595
3.9584 3.9584 3.9738 3.9738 5.2747 5.2747 5.2818 5.2818
6.1100 6.1100 6.1275 6.1275 6.4961 6.4961 6.5225 6.5225
7.6478 7.6478 7.7196 7.7196 8.9241 8.9241 8.9280 8.9280
9.3067 9.3067 9.3482 9.3482 9.9146 9.9146 9.9239 9.9239
11.2158 11.2158 11.2251 11.2251 11.6859 11.6859 11.7440 11.7440
k = 0.1818-0.0000 0.3100 ( 3544 PWs) bands (ev):
-5.0403 -5.0403 -5.0402 -5.0402 -2.2642 -2.2642 -2.2619 -2.2619
3.9809 3.9809 3.9994 3.9994 5.2196 5.2196 5.2228 5.2228
6.0929 6.0929 6.1108 6.1108 6.4741 6.4741 6.5003 6.5003
7.6527 7.6527 7.7230 7.7230 8.8988 8.8988 8.9023 8.9023
9.2971 9.2971 9.3387 9.3387 9.9226 9.9226 9.9311 9.9311
11.2248 11.2248 11.2274 11.2274 11.6715 11.6715 11.7106 11.7106
k = 0.1932-0.0000 0.3100 ( 3544 PWs) bands (ev):
-5.0156 -5.0156 -5.0156 -5.0156 -2.2670 -2.2670 -2.2646 -2.2646
4.0032 4.0032 4.0252 4.0252 5.1571 5.1571 5.1588 5.1588
6.0847 6.0847 6.1027 6.1027 6.4531 6.4531 6.4790 6.4790
7.6561 7.6561 7.7248 7.7248 8.8728 8.8728 8.8760 8.8760
9.2853 9.2853 9.3270 9.3270 9.9281 9.9281 9.9356 9.9356
11.2037 11.2037 11.2192 11.2192 11.6795 11.6795 11.6993 11.6993
k = 0.2045-0.0000 0.3100 ( 3544 PWs) bands (ev):
-4.9900 -4.9900 -4.9899 -4.9899 -2.2703 -2.2703 -2.2677 -2.2677
4.0244 4.0244 4.0507 4.0507 5.0870 5.0870 5.0946 5.0946
6.0843 6.0843 6.1019 6.1019 6.4331 6.4331 6.4586 6.4586
7.6580 7.6580 7.7251 7.7251 8.8461 8.8461 8.8490 8.8490
9.2713 9.2713 9.3130 9.3130 9.9312 9.9312 9.9373 9.9373
11.1658 11.1658 11.1916 11.1916 11.7062 11.7062 11.7103 11.7103
k = 0.2159-0.0000 0.3100 ( 3544 PWs) bands (ev):
-4.9633 -4.9633 -4.9632 -4.9632 -2.2739 -2.2739 -2.2713 -2.2713
4.0438 4.0438 4.0753 4.0753 5.0150 5.0150 5.0295 5.0295
6.0903 6.0903 6.1072 6.1072 6.4142 6.4142 6.4391 6.4391
7.6580 7.6580 7.7234 7.7234 8.8189 8.8189 8.8214 8.8214
9.2552 9.2552 9.2969 9.2969 9.9317 9.9317 9.9363 9.9363
11.1174 11.1174 11.1495 11.1495 11.7388 11.7388 11.7455 11.7455
k = 0.2273-0.0000 0.3100 ( 3540 PWs) bands (ev):
-4.9359 -4.9359 -4.9357 -4.9357 -2.2781 -2.2781 -2.2753 -2.2753
4.0602 4.0602 4.0978 4.0978 4.9435 4.9435 4.9658 4.9658
6.1013 6.1013 6.1174 6.1174 6.3966 6.3966 6.4206 6.4206
7.6561 7.6561 7.7197 7.7197 8.7911 8.7911 8.7934 8.7934
9.2374 9.2374 9.2790 9.2790 9.9297 9.9297 9.9327 9.9327
11.0637 11.0637 11.0991 11.0991 11.7789 11.7789 11.7925 11.7925
k = 0.2386-0.0000 0.3100 ( 3542 PWs) bands (ev):
-4.9076 -4.9076 -4.9074 -4.9074 -2.2827 -2.2827 -2.2799 -2.2799
4.0722 4.0722 4.1168 4.1168 4.8753 4.8753 4.9062 4.9062
6.1163 6.1163 6.1315 6.1315 6.3804 6.3804 6.4032 6.4032
7.6522 7.6522 7.7138 7.7138 8.7630 8.7630 8.7650 8.7650
9.2179 9.2179 9.2595 9.2595 9.9252 9.9252 9.9263 9.9263
11.0083 11.0083 11.0452 11.0452 11.8258 11.8258 11.8436 11.8436
k = 0.2500-0.0000 0.3100 ( 3542 PWs) bands (ev):
-4.8787 -4.8787 -4.8785 -4.8785 -2.2878 -2.2878 -2.2849 -2.2849
4.0780 4.0780 4.1304 4.1304 4.8134 4.8134 4.8535 4.8535
6.1342 6.1342 6.1482 6.1482 6.3658 6.3658 6.3868 6.3868
7.6462 7.6462 7.7057 7.7057 8.7345 8.7345 8.7363 8.7363
9.1970 9.1970 9.2385 9.2385 9.9174 9.9174 9.9183 9.9183
10.9531 10.9531 10.9906 10.9906 11.8766 11.8766 11.8967 11.8967
k = 0.2614-0.0000 0.3100 ( 3544 PWs) bands (ev):
-4.8492 -4.8492 -4.8490 -4.8490 -2.2933 -2.2933 -2.2904 -2.2904
4.0758 4.0758 4.1360 4.1360 4.7611 4.7611 4.8102 4.8102
6.1543 6.1543 6.1667 6.1667 6.3532 6.3532 6.3715 6.3715
7.6383 7.6383 7.6954 7.6954 8.7057 8.7057 8.7074 8.7074
9.1748 9.1748 9.2161 9.2161 9.9061 9.9061 9.9091 9.9091
10.8996 10.8996 10.9372 10.9372 11.9294 11.9294 11.9501 11.9501
k = 0.2727-0.0000 0.3100 ( 3536 PWs) bands (ev):
-4.8193 -4.8193 -4.8191 -4.8191 -2.2994 -2.2994 -2.2965 -2.2965
4.0643 4.0643 4.1311 4.1311 4.7215 4.7215 4.7783 4.7783
6.1758 6.1758 6.1858 6.1858 6.3431 6.3431 6.3575 6.3575
7.6284 7.6284 7.6829 7.6829 8.6768 8.6768 8.6784 8.6784
9.1515 9.1515 9.1927 9.1927 9.8926 9.8926 9.8977 9.8977
10.8487 10.8487 10.8861 10.8861 11.9826 11.9826 12.0022 12.0022
k = 0.2841-0.0000 0.3100 ( 3532 PWs) bands (ev):
-4.7891 -4.7891 -4.7889 -4.7889 -2.3060 -2.3060 -2.3030 -2.3030
4.0427 4.0427 4.1138 4.1138 4.6970 4.6970 4.7589 4.7589
6.1978 6.1978 6.2041 6.2041 6.3363 6.3363 6.3449 6.3449
7.6168 7.6168 7.6683 7.6683 8.6478 8.6478 8.6495 8.6495
9.1273 9.1273 9.1682 9.1682 9.8771 9.8771 9.8843 9.8843
10.8007 10.8007 10.8381 10.8381 12.0347 12.0347 12.0508 12.0508
k = 0.2955-0.0000 0.3100 ( 3532 PWs) bands (ev):
-4.7588 -4.7588 -4.7585 -4.7585 -2.3131 -2.3131 -2.3101 -2.3101
4.0117 4.0117 4.0843 4.0843 4.6879 4.6879 4.7518 4.7518
6.2196 6.2196 6.2198 6.2198 6.3341 6.3341 6.3342 6.3342
7.6037 7.6037 7.6518 7.6518 8.6189 8.6189 8.6206 8.6206
9.1023 9.1023 9.1431 9.1431 9.8597 9.8597 9.8689 9.8689
10.7559 10.7559 10.7934 10.7934 12.0834 12.0834 12.0918 12.0918
k = 0.3068-0.0000 0.3100 ( 3528 PWs) bands (ev):
-4.7285 -4.7285 -4.7282 -4.7282 -2.3206 -2.3206 -2.3176 -2.3176
3.9728 3.9728 4.0445 4.0445 4.6923 4.6923 4.7556 4.7556
6.2312 6.2312 6.2396 6.2396 6.3260 6.3260 6.3377 6.3377
7.5895 7.5895 7.6338 7.6338 8.5901 8.5901 8.5920 8.5920
9.0769 9.0769 9.1174 9.1174 9.8408 9.8408 9.8520 9.8520
10.7146 10.7146 10.7522 10.7522 12.1191 12.1191 12.1226 12.1226
k = 0.3182-0.0000 0.3100 ( 3522 PWs) bands (ev):
-4.6984 -4.6984 -4.6981 -4.6981 -2.3285 -2.3285 -2.3254 -2.3254
3.9283 3.9283 3.9974 3.9974 4.7074 4.7074 4.7683 4.7683
6.2376 6.2376 6.2559 6.2559 6.3221 6.3221 6.3474 6.3474
7.5745 7.5745 7.6146 7.6146 8.5615 8.5615 8.5637 8.5637
9.0511 9.0511 9.0913 9.0913 9.8208 9.8208 9.8338 9.8338
10.6767 10.6767 10.7146 10.7146 12.1300 12.1300 12.1427 12.1427
k = 0.3295-0.0000 0.3100 ( 3530 PWs) bands (ev):
-4.6687 -4.6687 -4.6683 -4.6683 -2.3367 -2.3367 -2.3337 -2.3337
3.8803 3.8803 3.9462 3.9462 4.7304 4.7304 4.7879 4.7879
6.2400 6.2400 6.2651 6.2651 6.3252 6.3252 6.3615 6.3615
7.5592 7.5592 7.5945 7.5945 8.5333 8.5333 8.5357 8.5357
9.0251 9.0251 9.0650 9.0650 9.7998 9.7998 9.8144 9.8144
10.6421 10.6421 10.6803 10.6803 12.1295 12.1295 12.1453 12.1453
k = 0.3409-0.0000 0.3100 ( 3530 PWs) bands (ev):
-4.6395 -4.6395 -4.6390 -4.6390 -2.3452 -2.3452 -2.3422 -2.3422
3.8306 3.8306 3.8931 3.8931 4.7589 4.7589 4.8126 4.8126
6.2404 6.2404 6.2667 6.2667 6.3352 6.3352 6.3779 6.3779
7.5441 7.5441 7.5741 7.5741 8.5056 8.5056 8.5082 8.5082
8.9992 8.9992 9.0388 9.0388 9.7783 9.7783 9.7943 9.7943
10.6108 10.6108 10.6495 10.6495 12.1238 12.1238 12.1407 12.1407
k = 0.3523-0.0000 0.3100 ( 3530 PWs) bands (ev):
-4.6110 -4.6110 -4.6105 -4.6105 -2.3539 -2.3539 -2.3509 -2.3509
3.7808 3.7808 3.8401 3.8401 4.7909 4.7909 4.8407 4.8407
6.2401 6.2401 6.2640 6.2640 6.3484 6.3484 6.3944 6.3944
7.5297 7.5297 7.5540 7.5540 8.4784 8.4784 8.4813 8.4813
8.9735 8.9735 9.0127 9.0127 9.7566 9.7566 9.7739 9.7739
10.5827 10.5827 10.6217 10.6217 12.1161 12.1161 12.1337 12.1337
k = 0.3636-0.0000 0.3100 ( 3536 PWs) bands (ev):
-4.5834 -4.5834 -4.5829 -4.5829 -2.3627 -2.3627 -2.3598 -2.3598
3.7320 3.7320 3.7883 3.7883 4.8252 4.8252 4.8711 4.8711
6.2400 6.2400 6.2598 6.2598 6.3616 6.3616 6.4099 6.4099
7.5166 7.5166 7.5346 7.5346 8.4520 8.4520 8.4551 8.4551
8.9482 8.9482 8.9871 8.9871 9.7351 9.7351 9.7533 9.7533
10.5575 10.5575 10.5970 10.5970 12.1077 12.1077 12.1262 12.1262
k = 0.3750-0.0000 0.3100 ( 3538 PWs) bands (ev):
-4.5570 -4.5570 -4.5564 -4.5564 -2.3715 -2.3715 -2.3686 -2.3686
3.6852 3.6852 3.7388 3.7388 4.8606 4.8606 4.9028 4.9028
6.2407 6.2407 6.2554 6.2554 6.3733 6.3733 6.4231 6.4231
7.5051 7.5051 7.5166 7.5166 8.4264 8.4264 8.4298 8.4298
8.9236 8.9236 8.9621 8.9621 9.7140 9.7140 9.7330 9.7330
10.5351 10.5351 10.5751 10.5751 12.0994 12.0994 12.1187 12.1187
k = 0.3864-0.0000 0.3100 ( 3538 PWs) bands (ev):
-4.5319 -4.5319 -4.5312 -4.5312 -2.3802 -2.3802 -2.3773 -2.3773
3.6409 3.6409 3.6922 3.6922 4.8963 4.8963 4.9347 4.9347
6.2425 6.2425 6.2511 6.2511 6.3826 6.3826 6.4335 6.4335
7.4957 7.4957 7.5005 7.5005 8.4018 8.4018 8.4053 8.4053
8.8999 8.8999 8.9381 8.9381 9.6937 9.6937 9.7132 9.7132
10.5154 10.5154 10.5557 10.5557 12.0915 12.0915 12.1117 12.1117
k = 0.3977-0.0000 0.3100 ( 3542 PWs) bands (ev):
-4.5084 -4.5084 -4.5077 -4.5077 -2.3886 -2.3886 -2.3857 -2.3857
3.5997 3.5997 3.6491 3.6491 4.9315 4.9315 4.9663 4.9663
6.2457 6.2457 6.2473 6.2473 6.3892 6.3892 6.4405 6.4405
7.4866 7.4866 7.4885 7.4885 8.3784 8.3784 8.3820 8.3820
8.8774 8.8774 8.9152 8.9152 9.6743 9.6743 9.6943 9.6943
10.4981 10.4981 10.5388 10.5388 12.0842 12.0842 12.1051 12.1051
k = 0.4091-0.0000 0.3100 ( 3550 PWs) bands (ev):
-4.4866 -4.4866 -4.4858 -4.4858 -2.3967 -2.3967 -2.3938 -2.3938
3.5620 3.5620 3.6097 3.6097 4.9655 4.9655 4.9966 4.9966
6.2441 6.2441 6.2503 6.2503 6.3931 6.3931 6.4439 6.4439
7.4752 7.4752 7.4837 7.4837 8.3564 8.3564 8.3600 8.3600
8.8563 8.8563 8.8937 8.8937 9.6563 9.6563 9.6765 9.6765
10.4831 10.4831 10.5241 10.5241 12.0776 12.0776 12.0992 12.0992
k = 0.4205-0.0000 0.3100 ( 3550 PWs) bands (ev):
-4.4668 -4.4668 -4.4660 -4.4660 -2.4042 -2.4042 -2.4014 -2.4014
3.5282 3.5282 3.5745 3.5745 4.9976 4.9976 5.0252 5.0252
6.2414 6.2414 6.2565 6.2565 6.3945 6.3945 6.4435 6.4435
7.4664 7.4664 7.4811 7.4811 8.3360 8.3360 8.3395 8.3395
8.8368 8.8368 8.8739 8.8739 9.6399 9.6399 9.6602 9.6602
10.4702 10.4702 10.5115 10.5115 12.0718 12.0718 12.0939 12.0939
k = 0.4318-0.0000 0.3100 ( 3550 PWs) bands (ev):
-4.4491 -4.4491 -4.4483 -4.4483 -2.4110 -2.4110 -2.4083 -2.4083
3.4985 3.4985 3.5435 3.5435 5.0272 5.0272 5.0514 5.0514
6.2392 6.2392 6.2642 6.2642 6.3938 6.3938 6.4396 6.4396
7.4601 7.4601 7.4803 7.4803 8.3174 8.3174 8.3209 8.3209
8.8193 8.8193 8.8561 8.8561 9.6253 9.6253 9.6456 9.6456
10.4593 10.4593 10.5009 10.5009 12.0667 12.0667 12.0894 12.0894
k = 0.4432-0.0000 0.3100 ( 3542 PWs) bands (ev):
-4.4339 -4.4339 -4.4330 -4.4330 -2.4171 -2.4171 -2.4144 -2.4144
3.4731 3.4731 3.5171 3.5171 5.0536 5.0536 5.0747 5.0747
6.2375 6.2375 6.2733 6.2733 6.3915 6.3915 6.4325 6.4325
7.4560 7.4560 7.4811 7.4811 8.3010 8.3010 8.3044 8.3044
8.8040 8.8040 8.8405 8.8405 9.6126 9.6126 9.6329 9.6329
10.4503 10.4503 10.4921 10.4921 12.0625 12.0625 12.0855 12.0855
k = 0.4545-0.0000 0.3100 ( 3538 PWs) bands (ev):
-4.4211 -4.4211 -4.4202 -4.4202 -2.4223 -2.4223 -2.4196 -2.4196
3.4521 3.4521 3.4954 3.4954 5.0763 5.0763 5.0945 5.0945
6.2363 6.2363 6.2836 6.2836 6.3884 6.3884 6.4230 6.4230
7.4536 7.4536 7.4828 7.4828 8.2871 8.2871 8.2902 8.2902
8.7911 8.7911 8.8273 8.8273 9.6020 9.6020 9.6223 9.6223
10.4431 10.4431 10.4851 10.4851 12.0590 12.0590 12.0824 12.0824
k = 0.4659-0.0000 0.3100 ( 3534 PWs) bands (ev):
-4.4110 -4.4110 -4.4101 -4.4101 -2.4264 -2.4264 -2.4237 -2.4237
3.4356 3.4356 3.4783 3.4783 5.0945 5.0945 5.1104 5.1104
6.2354 6.2354 6.2946 6.2946 6.3850 6.3850 6.4120 6.4120
7.4525 7.4525 7.4850 7.4850 8.2758 8.2758 8.2788 8.2788
8.7809 8.7809 8.8169 8.8169 9.5936 9.5936 9.6139 9.6139
10.4376 10.4376 10.4797 10.4797 12.0563 12.0563 12.0800 12.0800
k = 0.4773-0.0000 0.3100 ( 3528 PWs) bands (ev):
-4.4037 -4.4037 -4.4028 -4.4028 -2.4294 -2.4294 -2.4268 -2.4268
3.4238 3.4238 3.4661 3.4661 5.1080 5.1080 5.1221 5.1221
6.2349 6.2349 6.3054 6.3054 6.3820 6.3820 6.4008 6.4008
7.4521 7.4521 7.4869 7.4869 8.2675 8.2675 8.2704 8.2704
8.7735 8.7735 8.8093 8.8093 9.5876 9.5876 9.6078 9.6078
10.4338 10.4338 10.4760 10.4760 12.0544 12.0544 12.0782 12.0782
k = 0.4886-0.0000 0.3100 ( 3524 PWs) bands (ev):
-4.3993 -4.3993 -4.3984 -4.3984 -2.4313 -2.4313 -2.4286 -2.4286
3.4167 3.4167 3.4587 3.4587 5.1162 5.1162 5.1292 5.1292
6.2346 6.2346 6.3140 6.3140 6.3800 6.3800 6.3917 6.3917
7.4521 7.4521 7.4883 7.4883 8.2625 8.2625 8.2652 8.2652
8.7689 8.7689 8.8047 8.8047 9.5840 9.5840 9.6041 9.6041
10.4315 10.4315 10.4737 10.4737 12.0533 12.0533 12.0772 12.0772
k = 0.5000-0.0000 0.3100 ( 3516 PWs) bands (ev):
-4.3979 -4.3979 -4.3969 -4.3969 -2.4319 -2.4319 -2.4292 -2.4292
3.4144 3.4144 3.4563 3.4563 5.1190 5.1190 5.1316 5.1316
6.2345 6.2345 6.3176 6.3176 6.3793 6.3793 6.3880 6.3880
7.4521 7.4521 7.4888 7.4888 8.2608 8.2608 8.2635 8.2635
8.7674 8.7674 8.8031 8.8031 9.5828 9.5828 9.6029 9.6029
10.4307 10.4307 10.4730 10.4730 12.0529 12.0529 12.0768 12.0768
k = 0.5000-0.0000 0.3100 ( 3516 PWs) bands (ev):
-4.3979 -4.3979 -4.3969 -4.3969 -2.4319 -2.4319 -2.4292 -2.4292
3.4144 3.4144 3.4563 3.4563 5.1190 5.1190 5.1316 5.1316
6.2345 6.2345 6.3176 6.3176 6.3793 6.3793 6.3880 6.3880
7.4521 7.4521 7.4888 7.4888 8.2608 8.2608 8.2635 8.2635
8.7674 8.7674 8.8031 8.8031 9.5828 9.5828 9.6029 9.6029
10.4307 10.4307 10.4730 10.4730 12.0529 12.0529 12.0768 12.0768
k = 0.5000 0.0113 0.3100 ( 3528 PWs) bands (ev):
-4.3972 -4.3972 -4.3963 -4.3963 -2.4326 -2.4326 -2.4300 -2.4300
3.4115 3.4115 3.4531 3.4531 5.1247 5.1247 5.1364 5.1364
6.2048 6.2048 6.2733 6.2733 6.4042 6.4042 6.4281 6.4281
7.4518 7.4518 7.4882 7.4882 8.2646 8.2646 8.2675 8.2675
8.7682 8.7682 8.8039 8.8039 9.5828 9.5828 9.6028 9.6028
10.4318 10.4318 10.4740 10.4740 12.0551 12.0551 12.0791 12.0791
k = 0.5000 0.0226 0.3100 ( 3532 PWs) bands (ev):
-4.3952 -4.3952 -4.3943 -4.3943 -2.4348 -2.4348 -2.4321 -2.4321
3.4031 3.4031 3.4439 3.4439 5.1415 5.1415 5.1508 5.1508
6.1427 6.1427 6.2027 6.2027 6.4523 6.4523 6.4864 6.4864
7.4508 7.4508 7.4867 7.4867 8.2759 8.2759 8.2792 8.2792
8.7706 8.7706 8.8065 8.8065 9.5829 9.5829 9.6029 9.6029
10.4352 10.4352 10.4771 10.4771 12.0617 12.0617 12.0858 12.0858
k = 0.5000 0.0339 0.3100 ( 3532 PWs) bands (ev):
-4.3919 -4.3919 -4.3910 -4.3910 -2.4383 -2.4383 -2.4357 -2.4357
3.3896 3.3896 3.4290 3.4290 5.1689 5.1689 5.1739 5.1739
6.0691 6.0691 6.1266 6.1266 6.5028 6.5028 6.5424 6.5424
7.4494 7.4494 7.4843 7.4843 8.2942 8.2942 8.2982 8.2982
8.7746 8.7746 8.8107 8.8107 9.5832 9.5832 9.6030 9.6030
10.4408 10.4408 10.4824 10.4824 12.0727 12.0727 12.0970 12.0970
k = 0.5000 0.0452 0.3100 ( 3532 PWs) bands (ev):
-4.3872 -4.3872 -4.3863 -4.3863 -2.4433 -2.4433 -2.4408 -2.4408
3.3717 3.3717 3.4094 3.4094 5.2044 5.2044 5.2058 5.2058
5.9896 5.9896 6.0480 6.0480 6.5508 6.5508 6.5943 6.5943
7.4479 7.4479 7.4817 7.4817 8.3187 8.3187 8.3234 8.3234
8.7803 8.7803 8.8167 8.8167 9.5835 9.5835 9.6031 9.6031
10.4488 10.4488 10.4897 10.4897 12.0879 12.0879 12.1124 12.1124
k = 0.5000 0.0566 0.3100 ( 3540 PWs) bands (ev):
-4.3813 -4.3813 -4.3804 -4.3804 -2.4497 -2.4497 -2.4472 -2.4472
3.3501 3.3501 3.3859 3.3859 5.2405 5.2405 5.2508 5.2508
5.9065 5.9065 5.9687 5.9687 6.5947 6.5947 6.6416 6.6416
7.4467 7.4467 7.4792 7.4792 8.3483 8.3483 8.3537 8.3537
8.7877 8.7877 8.8245 8.8245 9.5840 9.5840 9.6031 9.6031
10.4590 10.4590 10.4992 10.4992 12.1072 12.1072 12.1320 12.1320
k = 0.5000 0.0679 0.3100 ( 3544 PWs) bands (ev):
-4.3741 -4.3741 -4.3732 -4.3732 -2.4575 -2.4575 -2.4550 -2.4550
3.3259 3.3259 3.3595 3.3595 5.2791 5.2791 5.3021 5.3021
5.8215 5.8215 5.8913 5.8913 6.6343 6.6343 6.6841 6.6841
7.4463 7.4463 7.4773 7.4773 8.3820 8.3820 8.3880 8.3880
8.7970 8.7970 8.8343 8.8343 9.5845 9.5845 9.6033 9.6033
10.4716 10.4716 10.5108 10.5108 12.1303 12.1303 12.1555 12.1555
k = 0.5000 0.0792 0.3100 ( 3540 PWs) bands (ev):
-4.3657 -4.3657 -4.3648 -4.3648 -2.4667 -2.4667 -2.4643 -2.4643
3.2998 3.2998 3.3312 3.3312 5.3152 5.3152 5.3565 5.3565
5.7374 5.7374 5.8205 5.8205 6.6693 6.6693 6.7221 6.7221
7.4470 7.4470 7.4764 7.4764 8.4185 8.4185 8.4251 8.4251
8.8082 8.8082 8.8461 8.8461 9.5851 9.5851 9.6035 9.6035
10.4864 10.4864 10.5246 10.5246 12.1568 12.1568 12.1825 12.1825
k = 0.5000 0.0905 0.3100 ( 3536 PWs) bands (ev):
-4.3561 -4.3561 -4.3552 -4.3552 -2.4772 -2.4772 -2.4748 -2.4748
3.2729 3.2729 3.3020 3.3020 5.3398 5.3398 5.4059 5.4059
5.6620 5.6620 5.7646 5.7646 6.7000 6.7000 6.7556 6.7556
7.4490 7.4490 7.4768 7.4768 8.4566 8.4566 8.4635 8.4635
8.8215 8.8215 8.8601 8.8601 9.5859 9.5859 9.6037 9.6037
10.5037 10.5037 10.5406 10.5406 12.1864 12.1864 12.2125 12.2125
k = 0.5000 0.1018 0.3100 ( 3536 PWs) bands (ev):
-4.3453 -4.3453 -4.3444 -4.3444 -2.4890 -2.4890 -2.4867 -2.4867
3.2458 3.2458 3.2727 3.2727 5.3398 5.3398 5.4237 5.4237
5.6211 5.6211 5.7363 5.7363 6.7266 6.7266 6.7851 6.7851
7.4525 7.4525 7.4787 7.4787 8.4950 8.4950 8.5020 8.5020
8.8371 8.8371 8.8764 8.8764 9.5867 9.5867 9.6040 9.6040
10.5232 10.5232 10.5588 10.5588 12.2182 12.2182 12.2447 12.2447
k = 0.5000 0.1131 0.3100 ( 3524 PWs) bands (ev):
-4.3334 -4.3334 -4.3325 -4.3325 -2.5021 -2.5021 -2.4999 -2.4999
3.2192 3.2192 3.2441 3.2441 5.3066 5.3066 5.3786 5.3786
5.6457 5.6457 5.7436 5.7436 6.7495 6.7495 6.8110 6.8110
7.4577 7.4577 7.4822 7.4822 8.5325 8.5325 8.5395 8.5395
8.8554 8.8554 8.8954 8.8954 9.5876 9.5876 9.6043 9.6043
10.5451 10.5451 10.5791 10.5791 12.2514 12.2514 12.2776 12.2776
k = 0.5000 0.1244 0.3100 ( 3520 PWs) bands (ev):
-4.3204 -4.3204 -4.3195 -4.3195 -2.5163 -2.5163 -2.5143 -2.5143
3.1939 3.1939 3.2168 3.2168 5.2458 5.2458 5.2985 5.2985
5.7074 5.7074 5.7804 5.7804 6.7689 6.7689 6.8335 6.8335
7.4645 7.4645 7.4873 7.4873 8.5681 8.5681 8.5750 8.5750
8.8764 8.8764 8.9171 8.9171 9.5886 9.5886 9.6046 9.6046
10.5694 10.5694 10.6016 10.6016 12.2842 12.2842 12.3079 12.3079
k = 0.5000 0.1357 0.3100 ( 3524 PWs) bands (ev):
-4.3064 -4.3064 -4.3056 -4.3056 -2.5318 -2.5318 -2.5298 -2.5298
3.1703 3.1703 3.1913 3.1913 5.1688 5.1688 5.2076 5.2076
5.7816 5.7816 5.8348 5.8348 6.7852 6.7852 6.8531 6.8531
7.4730 7.4730 7.4939 7.4939 8.6007 8.6007 8.6075 8.6075
8.9005 8.9005 8.9416 8.9416 9.5896 9.5896 9.6049 9.6049
10.5959 10.5959 10.6263 10.6263 12.3127 12.3127 12.3249 12.3249
k = 0.5000 0.1470 0.3100 ( 3524 PWs) bands (ev):
-4.2915 -4.2915 -4.2907 -4.2907 -2.5483 -2.5483 -2.5464 -2.5464
3.1489 3.1489 3.1681 3.1681 5.0832 5.0832 5.1130 5.1130
5.8607 5.8607 5.8988 5.8988 6.7990 6.7990 6.8704 6.8704
7.4830 7.4830 7.5020 7.5020 8.6297 8.6297 8.6366 8.6366
8.9276 8.9276 8.9689 8.9689 9.5907 9.5907 9.6053 9.6053
10.6248 10.6248 10.6532 10.6532 12.3088 12.3088 12.3258 12.3258
k = 0.5000 0.1583 0.3100 ( 3520 PWs) bands (ev):
-4.2757 -4.2757 -4.2749 -4.2749 -2.5658 -2.5658 -2.5640 -2.5640
3.1301 3.1301 3.1476 3.1476 4.9933 4.9933 5.0169 5.0169
5.9421 5.9421 5.9676 5.9676 6.8107 6.8107 6.8859 6.8859
7.4943 7.4943 7.5114 7.5114 8.6548 8.6548 8.6619 8.6619
8.9577 8.9577 8.9988 8.9988 9.5919 9.5919 9.6058 9.6058
10.6559 10.6559 10.6822 10.6822 12.2674 12.2674 12.3060 12.3060
k = 0.5000 0.1697 0.3100 ( 3524 PWs) bands (ev):
-4.2592 -4.2592 -4.2584 -4.2584 -2.5842 -2.5842 -2.5825 -2.5825
3.1142 3.1142 3.1302 3.1302 4.9011 4.9011 4.9205 4.9205
6.0243 6.0243 6.0385 6.0385 6.8207 6.8207 6.9000 6.9000
7.5067 7.5067 7.5218 7.5218 8.6758 8.6758 8.6834 8.6834
8.9902 8.9902 9.0308 9.0308 9.5931 9.5931 9.6062 9.6062
10.6892 10.6892 10.7133 10.7133 12.2170 12.2170 12.2628 12.2628
k = 0.5000 0.1810 0.3100 ( 3540 PWs) bands (ev):
-4.2420 -4.2420 -4.2412 -4.2412 -2.6034 -2.6034 -2.6018 -2.6018
3.1016 3.1016 3.1160 3.1160 4.8080 4.8080 4.8243 4.8243
6.1061 6.1061 6.1097 6.1097 6.8294 6.8294 6.9133 6.9133
7.5202 7.5202 7.5332 7.5332 8.6929 8.6929 8.7010 8.7010
9.0248 9.0248 9.0644 9.0644 9.5943 9.5943 9.6066 9.6066
10.7245 10.7245 10.7463 10.7463 12.1631 12.1631 12.2111 12.2111
k = 0.5000 0.1923 0.3100 ( 3548 PWs) bands (ev):
-4.2243 -4.2243 -4.2235 -4.2235 -2.6233 -2.6233 -2.6218 -2.6218
3.0923 3.0923 3.1054 3.1054 4.7149 4.7149 4.7289 4.7289
6.1798 6.1798 6.1866 6.1866 6.8376 6.8376 6.9264 6.9264
7.5344 7.5344 7.5453 7.5453 8.7064 8.7064 8.7152 8.7152
9.0608 9.0608 9.0993 9.0993 9.5956 9.5956 9.6071 9.6071
10.7617 10.7617 10.7812 10.7812 12.1076 12.1076 12.1564 12.1564
k = 0.5000 0.2036 0.3100 ( 3548 PWs) bands (ev):
-4.2061 -4.2061 -4.2054 -4.2054 -2.6436 -2.6436 -2.6423 -2.6423
3.0867 3.0867 3.0985 3.0985 4.6223 4.6223 4.6344 4.6344
6.2477 6.2477 6.2648 6.2648 6.8457 6.8457 6.9398 6.9398
7.5492 7.5492 7.5580 7.5580 8.7166 8.7166 8.7262 8.7262
9.0978 9.0978 9.1350 9.1350 9.5970 9.5970 9.6076 9.6076
10.8007 10.8007 10.8178 10.8178 12.0517 12.0517 12.1005 12.1005
k = 0.5000 0.2149 0.3100 ( 3556 PWs) bands (ev):
-4.1876 -4.1876 -4.1869 -4.1869 -2.6643 -2.6643 -2.6631 -2.6631
3.0848 3.0848 3.0954 3.0954 4.5307 4.5307 4.5413 4.5413
6.3122 6.3122 6.3397 6.3397 6.8544 6.8544 6.9539 6.9539
7.5644 7.5644 7.5710 7.5710 8.7238 8.7238 8.7341 8.7341
9.1353 9.1353 9.1709 9.1709 9.5985 9.5985 9.6082 9.6082
10.8411 10.8411 10.8557 10.8557 11.9964 11.9964 12.0448 12.0448
k = 0.5000 0.2262 0.3100 ( 3552 PWs) bands (ev):
-4.1690 -4.1690 -4.1684 -4.1684 -2.6852 -2.6852 -2.6840 -2.6840
3.0868 3.0868 3.0963 3.0963 4.4403 4.4403 4.4498 4.4498
6.3725 6.3725 6.4100 6.4100 6.8645 6.8645 6.9691 6.9691
7.5800 7.5800 7.5844 7.5844 8.7284 8.7284 8.7393 8.7393
9.1729 9.1729 9.2068 9.2068 9.6000 9.6000 9.6088 9.6088
10.8825 10.8825 10.8948 10.8948 11.9425 11.9425 11.9903 11.9903
k = 0.5000 0.2375 0.3100 ( 3556 PWs) bands (ev):
-4.1505 -4.1505 -4.1499 -4.1499 -2.7060 -2.7060 -2.7050 -2.7050
3.0928 3.0928 3.1012 3.1012 4.3516 4.3516 4.3600 4.3600
6.4277 6.4277 6.4745 6.4745 6.8770 6.8770 6.9860 6.9860
7.5956 7.5956 7.5979 7.5979 8.7305 8.7305 8.7420 8.7420
9.2103 9.2103 9.2422 9.2422 9.6014 9.6014 9.6094 9.6094
10.9244 10.9244 10.9344 10.9344 11.8910 11.8910 11.9381 11.9381
k = 0.5000 0.2488 0.3100 ( 3552 PWs) bands (ev):
-4.1322 -4.1322 -4.1316 -4.1316 -2.7266 -2.7266 -2.7257 -2.7257
3.1028 3.1028 3.1102 3.1102 4.2647 4.2647 4.2722 4.2722
6.4772 6.4772 6.5315 6.5315 6.8930 6.8930 7.0045 7.0045
7.6112 7.6112 7.6114 7.6114 8.7305 8.7305 8.7425 8.7425
9.2471 9.2471 9.2770 9.2770 9.6030 9.6030 9.6101 9.6101
10.9661 10.9661 10.9739 10.9739 11.8431 11.8431 11.8891 11.8891
k = 0.5000 0.2601 0.3100 ( 3544 PWs) bands (ev):
-4.1143 -4.1143 -4.1137 -4.1137 -2.7467 -2.7467 -2.7459 -2.7459
3.1168 3.1168 3.1233 3.1233 4.1798 4.1798 4.1865 4.1865
6.5206 6.5206 6.5798 6.5798 6.9135 6.9135 7.0247 7.0247
7.6248 7.6248 7.6266 7.6266 8.7286 8.7286 8.7409 8.7409
9.2829 9.2829 9.3107 9.3107 9.6046 9.6046 9.6108 9.6108
11.0068 11.0068 11.0125 11.0125 11.7999 11.7999 11.8448 11.8448
k = 0.5000 0.2714 0.3100 ( 3544 PWs) bands (ev):
-4.0970 -4.0970 -4.0965 -4.0965 -2.7661 -2.7661 -2.7654 -2.7654
3.1348 3.1348 3.1404 3.1404 4.0972 4.0972 4.1032 4.1032
6.5578 6.5578 6.6184 6.6184 6.9389 6.9389 7.0462 7.0462
7.6380 7.6380 7.6417 7.6417 8.7252 8.7252 8.7376 8.7376
9.3175 9.3175 9.3430 9.3430 9.6062 9.6062 9.6115 9.6115
11.0452 11.0452 11.0491 11.0491 11.7630 11.7630 11.8067 11.8067
k = 0.5000 0.2828 0.3100 ( 3544 PWs) bands (ev):
-4.0806 -4.0806 -4.0801 -4.0801 -2.7845 -2.7845 -2.7839 -2.7839
3.1570 3.1570 3.1617 3.1617 4.0169 4.0169 4.0223 4.0223
6.5891 6.5891 6.6476 6.6476 6.9685 6.9685 7.0683 7.0683
7.6510 7.6510 7.6562 7.6562 8.7206 8.7206 8.7329 8.7329
9.3503 9.3503 9.3735 9.3735 9.6079 9.6079 9.6124 9.6124
11.0801 11.0801 11.0823 11.0823 11.7340 11.7340 11.7763 11.7763
k = 0.5000 0.2941 0.3100 ( 3544 PWs) bands (ev):
-4.0653 -4.0653 -4.0649 -4.0649 -2.8016 -2.8016 -2.8011 -2.8011
3.1831 3.1831 3.1870 3.1870 3.9393 3.9393 3.9440 3.9440
6.6150 6.6150 6.6685 6.6685 7.0007 7.0007 7.0901 7.0901
7.6635 7.6635 7.6699 7.6699 8.7152 8.7152 8.7271 8.7271
9.3810 9.3810 9.4017 9.4017 9.6096 9.6096 9.6132 9.6132
11.1099 11.1099 11.1106 11.1106 11.7146 11.7146 11.7554 11.7554
k = 0.5000 0.3054 0.3100 ( 3548 PWs) bands (ev):
-4.0514 -4.0514 -4.0510 -4.0510 -2.8172 -2.8172 -2.8167 -2.8167
3.2132 3.2132 3.2164 3.2164 3.8645 3.8645 3.8686 3.8686
6.6361 6.6361 6.6829 6.6829 7.0335 7.0335 7.1106 7.1106
7.6754 7.6754 7.6825 7.6825 8.7095 8.7095 8.7207 8.7207
9.4090 9.4090 9.4271 9.4271 9.6114 9.6114 9.6142 9.6142
11.1329 11.1329 11.1334 11.1334 11.7061 11.7061 11.7451 11.7451
k = 0.5000 0.3167 0.3100 ( 3544 PWs) bands (ev):
-4.0391 -4.0391 -4.0388 -4.0388 -2.8309 -2.8309 -2.8305 -2.8305
3.2472 3.2472 3.2497 3.2497 3.7925 3.7925 3.7961 3.7961
6.6532 6.6532 6.6923 6.6923 7.0649 7.0649 7.1289 7.1289
7.6865 7.6865 7.6938 7.6938 8.7039 8.7039 8.7140 8.7140
9.4339 9.4339 9.4493 9.4493 9.6131 9.6131 9.6152 9.6152
11.1486 11.1486 11.1500 11.1500 11.7089 11.7089 11.7458 11.7458
k = 0.5000 0.3280 0.3100 ( 3540 PWs) bands (ev):
-4.0286 -4.0286 -4.0284 -4.0284 -2.8426 -2.8426 -2.8423 -2.8423
3.2850 3.2850 3.2868 3.2868 3.7237 3.7237 3.7267 3.7267
6.6669 6.6669 6.6980 6.6980 7.0933 7.0933 7.1440 7.1440
7.6965 7.6965 7.7033 7.7033 8.6988 8.6988 8.7075 8.7075
9.4552 9.4552 9.4678 9.4678 9.6149 9.6149 9.6164 9.6164
11.1582 11.1582 11.1601 11.1601 11.7221 11.7221 11.7563 11.7563
k = 0.5000 0.3393 0.3100 ( 3536 PWs) bands (ev):
-4.0202 -4.0202 -4.0200 -4.0200 -2.8519 -2.8519 -2.8517 -2.8517
3.3264 3.3264 3.3275 3.3275 3.6583 3.6583 3.6607 3.6607
6.6778 6.6778 6.7009 6.7009 7.1176 7.1176 7.1553 7.1553
7.7050 7.7050 7.7109 7.7109 8.6947 8.6947 8.7015 8.7015
9.4726 9.4726 9.4821 9.4821 9.6165 9.6165 9.6175 9.6175
11.1631 11.1631 11.1650 11.1650 11.7432 11.7432 11.7734 11.7734
k = 0.5000 0.3506 0.3100 ( 3536 PWs) bands (ev):
-4.0141 -4.0141 -4.0140 -4.0140 -2.8587 -2.8587 -2.8586 -2.8586
3.3709 3.3709 3.3714 3.3714 3.5967 3.5967 3.5985 3.5985
6.6862 6.6862 6.7015 6.7015 7.1372 7.1372 7.1620 7.1620
7.7118 7.7118 7.7161 7.7161 8.6918 8.6918 8.6966 8.6966
9.4856 9.4856 9.4921 9.4921 9.6178 9.6178 9.6185 9.6185
11.1651 11.1651 11.1666 11.1666 11.7680 11.7680 11.7920 11.7920
k = 0.5000 0.3619 0.3100 ( 3536 PWs) bands (ev):
-4.0103 -4.0103 -4.0102 -4.0102 -2.8629 -2.8629 -2.8628 -2.8628
3.4167 3.4167 3.4167 3.4167 3.5408 3.5408 3.5420 3.5420
6.6927 6.6927 6.7003 6.7003 7.1514 7.1514 7.1638 7.1638
7.7166 7.7166 7.7188 7.7188 8.6905 8.6905 8.6929 8.6929
9.4941 9.4941 9.4974 9.4974 9.6187 9.6187 9.6192 9.6192
11.1657 11.1657 11.1666 11.1666 11.7909 11.7909 11.8048 11.8048
k = 0.5000 0.3732 0.3100 ( 3536 PWs) bands (ev):
-4.0091 -4.0091 -4.0090 -4.0090 -2.8643 -2.8643 -2.8642 -2.8642
3.4472 3.4472 3.4473 3.4473 3.5073 3.5073 3.5073 3.5073
6.6973 6.6973 6.6974 6.6974 7.1603 7.1603 7.1604 7.1604
7.7189 7.7189 7.7189 7.7189 8.6907 8.6907 8.6910 8.6910
9.4979 9.4979 9.4983 9.4983 9.6191 9.6191 9.6195 9.6195
11.1660 11.1660 11.1662 11.1662 11.8048 11.8048 11.8050 11.8050
k = 0.5000 0.3732 0.3100 ( 3536 PWs) bands (ev):
-4.0091 -4.0091 -4.0090 -4.0090 -2.8643 -2.8643 -2.8642 -2.8642
3.4472 3.4472 3.4473 3.4473 3.5073 3.5073 3.5073 3.5073
6.6973 6.6973 6.6974 6.6974 7.1603 7.1603 7.1604 7.1604
7.7189 7.7189 7.7189 7.7189 8.6907 8.6907 8.6910 8.6910
9.4979 9.4979 9.4983 9.4983 9.6191 9.6191 9.6195 9.6195
11.1660 11.1660 11.1662 11.1662 11.8048 11.8048 11.8050 11.8050
k = 0.4886 0.3732 0.3100 ( 3544 PWs) bands (ev):
-4.0097 -4.0097 -4.0096 -4.0096 -2.8655 -2.8655 -2.8654 -2.8654
3.4494 3.4494 3.4495 3.4495 3.5092 3.5092 3.5092 3.5092
6.6970 6.6970 6.6972 6.6972 7.1611 7.1611 7.1613 7.1613
7.7183 7.7183 7.7183 7.7183 8.6905 8.6905 8.6908 8.6908
9.4977 9.4977 9.4980 9.4980 9.6184 9.6184 9.6188 9.6188
11.1668 11.1668 11.1669 11.1669 11.8062 11.8062 11.8065 11.8065
k = 0.4773 0.3732 0.3100 ( 3540 PWs) bands (ev):
-4.0114 -4.0114 -4.0114 -4.0114 -2.8691 -2.8691 -2.8690 -2.8690
3.4558 3.4558 3.4559 3.4559 3.5149 3.5149 3.5149 3.5149
6.6963 6.6963 6.6965 6.6965 7.1639 7.1639 7.1640 7.1640
7.7165 7.7165 7.7165 7.7165 8.6898 8.6898 8.6902 8.6902
9.4971 9.4971 9.4975 9.4975 9.6166 9.6166 9.6171 9.6171
11.1689 11.1689 11.1690 11.1690 11.8106 11.8106 11.8109 11.8109
k = 0.4659 0.3732 0.3100 ( 3536 PWs) bands (ev):
-4.0144 -4.0144 -4.0143 -4.0143 -2.8750 -2.8750 -2.8750 -2.8750
3.4665 3.4665 3.4665 3.4665 3.5243 3.5243 3.5243 3.5243
6.6952 6.6952 6.6954 6.6954 7.1684 7.1684 7.1685 7.1685
7.7136 7.7136 7.7136 7.7136 8.6888 8.6888 8.6891 8.6891
9.4962 9.4962 9.4965 9.4965 9.6138 9.6138 9.6143 9.6143
11.1723 11.1723 11.1724 11.1724 11.8179 11.8179 11.8182 11.8182
k = 0.4545 0.3732 0.3100 ( 3536 PWs) bands (ev):
-4.0184 -4.0184 -4.0184 -4.0184 -2.8833 -2.8833 -2.8833 -2.8833
3.4812 3.4812 3.4812 3.4812 3.5374 3.5374 3.5374 3.5374
6.6938 6.6938 6.6940 6.6940 7.1745 7.1745 7.1746 7.1746
7.7097 7.7097 7.7097 7.7097 8.6872 8.6872 8.6875 8.6875
9.4948 9.4948 9.4952 9.4952 9.6100 9.6100 9.6104 9.6104
11.1769 11.1769 11.1770 11.1770 11.8281 11.8281 11.8284 11.8284
k = 0.4432 0.3732 0.3100 ( 3540 PWs) bands (ev):
-4.0236 -4.0236 -4.0236 -4.0236 -2.8938 -2.8938 -2.8938 -2.8938
3.4998 3.4998 3.4998 3.4998 3.5541 3.5541 3.5542 3.5542
6.6924 6.6924 6.6926 6.6926 7.1820 7.1820 7.1822 7.1822
7.7049 7.7049 7.7049 7.7049 8.6849 8.6849 8.6853 8.6853
9.4931 9.4931 9.4935 9.4935 9.6053 9.6053 9.6057 9.6057
11.1825 11.1825 11.1826 11.1826 11.8411 11.8411 11.8414 11.8414
k = 0.4318 0.3732 0.3100 ( 3544 PWs) bands (ev):
-4.0299 -4.0299 -4.0299 -4.0299 -2.9064 -2.9064 -2.9064 -2.9064
3.5221 3.5221 3.5221 3.5221 3.5745 3.5745 3.5745 3.5745
6.6911 6.6911 6.6913 6.6913 7.1909 7.1909 7.1910 7.1910
7.6995 7.6995 7.6996 7.6996 8.6820 8.6820 8.6824 8.6824
9.4911 9.4911 9.4915 9.4915 9.5999 9.5999 9.6003 9.6003
11.1889 11.1889 11.1890 11.1890 11.8568 11.8568 11.8571 11.8571
k = 0.4205 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0372 -4.0372 -4.0372 -4.0372 -2.9211 -2.9211 -2.9211 -2.9211
3.5478 3.5478 3.5478 3.5478 3.5984 3.5984 3.5984 3.5984
6.6903 6.6903 6.6905 6.6905 7.2007 7.2007 7.2008 7.2008
7.6939 7.6939 7.6939 7.6939 8.6784 8.6784 8.6787 8.6787
9.4888 9.4888 9.4892 9.4892 9.5939 9.5939 9.5943 9.5943
11.1958 11.1958 11.1958 11.1958 11.8750 11.8750 11.8752 11.8752
k = 0.4091 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0456 -4.0456 -4.0455 -4.0455 -2.9377 -2.9377 -2.9377 -2.9377
3.5766 3.5766 3.5767 3.5767 3.6258 3.6258 3.6258 3.6258
6.6902 6.6902 6.6904 6.6904 7.2110 7.2110 7.2111 7.2111
7.6883 7.6883 7.6884 7.6884 8.6739 8.6739 8.6742 8.6742
9.4863 9.4863 9.4866 9.4866 9.5875 9.5875 9.5879 9.5879
11.2029 11.2029 11.2030 11.2030 11.8951 11.8951 11.8954 11.8954
k = 0.3977 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0548 -4.0548 -4.0547 -4.0547 -2.9561 -2.9561 -2.9561 -2.9561
3.6083 3.6083 3.6083 3.6083 3.6565 3.6565 3.6565 3.6565
6.6912 6.6912 6.6914 6.6914 7.2213 7.2213 7.2214 7.2214
7.6835 7.6835 7.6835 7.6835 8.6685 8.6685 8.6688 8.6688
9.4835 9.4835 9.4838 9.4838 9.5809 9.5809 9.5813 9.5813
11.2101 11.2101 11.2102 11.2102 11.9160 11.9160 11.9162 11.9162
k = 0.3864 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.0649 -4.0649 -4.0649 -4.0649 -2.9761 -2.9761 -2.9761 -2.9761
3.6423 3.6423 3.6424 3.6424 3.6903 3.6903 3.6904 3.6904
6.6937 6.6937 6.6939 6.6939 7.2310 7.2310 7.2311 7.2311
7.6799 7.6799 7.6799 7.6799 8.6620 8.6620 8.6623 8.6623
9.4805 9.4805 9.4808 9.4808 9.5743 9.5743 9.5746 9.5746
11.2171 11.2171 11.2172 11.2172 11.9336 11.9336 11.9338 11.9338
k = 0.3750 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0758 -4.0758 -4.0758 -4.0758 -2.9976 -2.9976 -2.9976 -2.9976
3.6784 3.6784 3.6784 3.6784 3.7273 3.7273 3.7273 3.7273
6.6981 6.6981 6.6982 6.6982 7.2392 7.2392 7.2393 7.2393
7.6785 7.6785 7.6785 7.6785 8.6545 8.6545 8.6549 8.6549
9.4773 9.4773 9.4777 9.4777 9.5676 9.5676 9.5680 9.5680
11.2237 11.2237 11.2238 11.2238 11.9382 11.9382 11.9384 11.9384
k = 0.3636 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0875 -4.0875 -4.0874 -4.0874 -3.0204 -3.0204 -3.0204 -3.0204
3.7161 3.7161 3.7161 3.7161 3.7672 3.7672 3.7673 3.7673
6.7047 6.7047 6.7049 6.7049 7.2451 7.2451 7.2452 7.2452
7.6801 7.6801 7.6801 7.6801 8.6460 8.6460 8.6463 8.6463
9.4739 9.4739 9.4743 9.4743 9.5611 9.5611 9.5615 9.5615
11.2298 11.2298 11.2299 11.2299 11.9257 11.9257 11.9259 11.9259
k = 0.3523 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.0998 -4.0998 -4.0998 -4.0998 -3.0444 -3.0444 -3.0444 -3.0444
3.7549 3.7549 3.7550 3.7550 3.8099 3.8099 3.8099 3.8099
6.7141 6.7141 6.7143 6.7143 7.2479 7.2479 7.2480 7.2480
7.6855 7.6855 7.6855 7.6855 8.6363 8.6363 8.6366 8.6366
9.4705 9.4705 9.4708 9.4708 9.5549 9.5549 9.5552 9.5552
11.2351 11.2351 11.2352 11.2352 11.9047 11.9047 11.9049 11.9049
k = 0.3409 0.3732 0.3100 ( 3544 PWs) bands (ev):
-4.1127 -4.1127 -4.1127 -4.1127 -3.0694 -3.0694 -3.0694 -3.0694
3.7945 3.7945 3.7945 3.7945 3.8552 3.8552 3.8552 3.8552
6.7267 6.7267 6.7268 6.7268 7.2467 7.2467 7.2468 7.2468
7.6955 7.6955 7.6956 7.6956 8.6255 8.6255 8.6258 8.6258
9.4669 9.4669 9.4672 9.4672 9.5489 9.5489 9.5493 9.5493
11.2395 11.2395 11.2396 11.2396 11.8802 11.8802 11.8805 11.8805
k = 0.3295 0.3732 0.3100 ( 3544 PWs) bands (ev):
-4.1261 -4.1261 -4.1261 -4.1261 -3.0952 -3.0952 -3.0952 -3.0952
3.8343 3.8343 3.8344 3.8344 3.9029 3.9029 3.9029 3.9029
6.7428 6.7428 6.7429 6.7429 7.2412 7.2412 7.2413 7.2413
7.7106 7.7106 7.7106 7.7106 8.6136 8.6136 8.6139 8.6139
9.4632 9.4632 9.4635 9.4635 9.5432 9.5432 9.5436 9.5436
11.2430 11.2430 11.2431 11.2431 11.8542 11.8542 11.8545 11.8545
k = 0.3182 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.1400 -4.1400 -4.1399 -4.1399 -3.1217 -3.1217 -3.1216 -3.1216
3.8739 3.8739 3.8739 3.8739 3.9529 3.9529 3.9529 3.9529
6.7628 6.7628 6.7629 6.7629 7.2312 7.2312 7.2313 7.2313
7.7308 7.7308 7.7308 7.7308 8.6008 8.6008 8.6011 8.6011
9.4593 9.4593 9.4596 9.4596 9.5378 9.5378 9.5381 9.5381
11.2454 11.2454 11.2455 11.2455 11.8275 11.8275 11.8278 11.8278
k = 0.3068 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.1542 -4.1542 -4.1541 -4.1541 -3.1486 -3.1486 -3.1486 -3.1486
3.9128 3.9128 3.9128 3.9128 4.0050 4.0050 4.0051 4.0051
6.7871 6.7871 6.7872 6.7872 7.2168 7.2168 7.2169 7.2169
7.7560 7.7560 7.7561 7.7561 8.5870 8.5870 8.5873 8.5873
9.4553 9.4553 9.4556 9.4556 9.5326 9.5326 9.5329 9.5329
11.2467 11.2467 11.2468 11.2468 11.8008 11.8008 11.8010 11.8010
k = 0.2955 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.1687 -4.1687 -4.1686 -4.1686 -3.1760 -3.1760 -3.1759 -3.1759
3.9505 3.9505 3.9505 3.9505 4.0592 4.0592 4.0592 4.0592
6.8159 6.8159 6.8160 6.8160 7.1986 7.1986 7.1987 7.1987
7.7859 7.7859 7.7859 7.7859 8.5725 8.5725 8.5728 8.5728
9.4511 9.4511 9.4515 9.4515 9.5275 9.5275 9.5278 9.5278
11.2468 11.2468 11.2469 11.2469 11.7746 11.7746 11.7748 11.7748
k = 0.2841 0.3732 0.3100 ( 3556 PWs) bands (ev):
-4.1833 -4.1833 -4.1833 -4.1833 -3.2035 -3.2035 -3.2034 -3.2034
3.9867 3.9867 3.9868 3.9868 4.1151 4.1151 4.1151 4.1151
6.8493 6.8493 6.8495 6.8495 7.1771 7.1771 7.1771 7.1771
7.8199 7.8199 7.8199 7.8199 8.5573 8.5573 8.5576 8.5576
9.4469 9.4469 9.4472 9.4472 9.5226 9.5226 9.5229 9.5229
11.2455 11.2455 11.2457 11.2457 11.7492 11.7492 11.7495 11.7495
k = 0.2727 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.1981 -4.1981 -4.1981 -4.1981 -3.2310 -3.2310 -3.2310 -3.2310
4.0210 4.0210 4.0211 4.0211 4.1727 4.1727 4.1727 4.1727
6.8872 6.8872 6.8873 6.8873 7.1531 7.1531 7.1532 7.1532
7.8574 7.8574 7.8574 7.8574 8.5415 8.5415 8.5418 8.5418
9.4423 9.4423 9.4427 9.4427 9.5176 9.5176 9.5179 9.5179
11.2430 11.2430 11.2431 11.2431 11.7252 11.7252 11.7255 11.7255
k = 0.2614 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.2129 -4.2129 -4.2129 -4.2129 -3.2585 -3.2585 -3.2585 -3.2585
4.0531 4.0531 4.0532 4.0532 4.2317 4.2317 4.2318 4.2318
6.9286 6.9286 6.9287 6.9287 7.1282 7.1282 7.1282 7.1282
7.8981 7.8981 7.8981 7.8981 8.5254 8.5254 8.5257 8.5257
9.4376 9.4376 9.4379 9.4379 9.5124 9.5124 9.5128 9.5128
11.2390 11.2390 11.2392 11.2392 11.7031 11.7031 11.7033 11.7033
k = 0.2500 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.2277 -4.2277 -4.2276 -4.2276 -3.2857 -3.2857 -3.2857 -3.2857
4.0829 4.0829 4.0829 4.0829 4.2921 4.2921 4.2921 4.2921
6.9700 6.9700 6.9701 6.9701 7.1062 7.1062 7.1062 7.1062
7.9413 7.9413 7.9413 7.9413 8.5090 8.5090 8.5093 8.5093
9.4324 9.4324 9.4327 9.4327 9.5070 9.5070 9.5073 9.5073
11.2337 11.2337 11.2338 11.2338 11.6832 11.6832 11.6834 11.6834
k = 0.2386 0.3732 0.3100 ( 3556 PWs) bands (ev):
-4.2424 -4.2424 -4.2423 -4.2423 -3.3126 -3.3126 -3.3126 -3.3126
4.1101 4.1101 4.1101 4.1101 4.3535 4.3535 4.3535 4.3535
6.9975 6.9975 6.9975 6.9975 7.1014 7.1014 7.1015 7.1015
7.9867 7.9867 7.9867 7.9867 8.4925 8.4925 8.4927 8.4927
9.4268 9.4268 9.4271 9.4271 9.5012 9.5012 9.5015 9.5015
11.2268 11.2268 11.2270 11.2270 11.6660 11.6660 11.6662 11.6662
k = 0.2273 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.2568 -4.2568 -4.2568 -4.2568 -3.3390 -3.3390 -3.3390 -3.3390
4.1346 4.1346 4.1347 4.1347 4.4159 4.4159 4.4159 4.4159
6.9906 6.9906 6.9907 6.9907 7.1344 7.1344 7.1345 7.1345
8.0338 8.0338 8.0338 8.0338 8.4760 8.4760 8.4763 8.4763
9.4207 9.4207 9.4210 9.4210 9.4948 9.4948 9.4951 9.4951
11.2185 11.2185 11.2186 11.2186 11.6519 11.6519 11.6521 11.6521
k = 0.2159 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.2711 -4.2711 -4.2710 -4.2710 -3.3648 -3.3648 -3.3648 -3.3648
4.1565 4.1565 4.1566 4.1566 4.4790 4.4790 4.4790 4.4790
6.9630 6.9630 6.9631 6.9631 7.1915 7.1915 7.1915 7.1915
8.0823 8.0823 8.0823 8.0823 8.4598 8.4598 8.4601 8.4601
9.4140 9.4140 9.4142 9.4142 9.4876 9.4876 9.4879 9.4879
11.2086 11.2086 11.2087 11.2087 11.6413 11.6413 11.6415 11.6415
k = 0.2045 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.2849 -4.2849 -4.2849 -4.2849 -3.3899 -3.3899 -3.3898 -3.3898
4.1758 4.1758 4.1759 4.1759 4.5427 4.5427 4.5427 4.5427
6.9284 6.9284 6.9285 6.9285 7.2589 7.2589 7.2590 7.2590
8.1316 8.1316 8.1316 8.1316 8.4441 8.4441 8.4444 8.4444
9.4065 9.4065 9.4068 9.4068 9.4797 9.4797 9.4799 9.4799
11.1971 11.1971 11.1972 11.1972 11.6345 11.6345 11.6347 11.6347
k = 0.1932 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.2985 -4.2985 -4.2984 -4.2984 -3.4141 -3.4141 -3.4141 -3.4141
4.1926 4.1926 4.1926 4.1926 4.6066 4.6066 4.6067 4.6067
6.8906 6.8906 6.8907 6.8907 7.3327 7.3327 7.3328 7.3328
8.1813 8.1813 8.1813 8.1813 8.4292 8.4292 8.4295 8.4295
9.3982 9.3982 9.3985 9.3985 9.4707 9.4707 9.4710 9.4710
11.1840 11.1840 11.1842 11.1842 11.6318 11.6318 11.6320 11.6320
k = 0.1818 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.3115 -4.3115 -4.3115 -4.3115 -3.4375 -3.4375 -3.4375 -3.4375
4.2070 4.2070 4.2070 4.2070 4.6708 4.6708 4.6708 4.6708
6.8508 6.8508 6.8509 6.8509 7.4113 7.4113 7.4114 7.4114
8.2307 8.2307 8.2307 8.2307 8.4156 8.4156 8.4158 8.4158
9.3889 9.3889 9.3892 9.3892 9.4606 9.4606 9.4608 9.4608
11.1694 11.1694 11.1695 11.1695 11.6335 11.6335 11.6337 11.6337
k = 0.1705 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.3241 -4.3241 -4.3240 -4.3240 -3.4599 -3.4599 -3.4598 -3.4598
4.2192 4.2192 4.2192 4.2192 4.7348 4.7348 4.7349 4.7349
6.8097 6.8097 6.8098 6.8098 7.4937 7.4937 7.4938 7.4938
8.2783 8.2783 8.2784 8.2784 8.4045 8.4045 8.4048 8.4048
9.3786 9.3786 9.3788 9.3788 9.4492 9.4492 9.4495 9.4495
11.1532 11.1532 11.1534 11.1534 11.6397 11.6397 11.6399 11.6399
k = 0.1591 0.3732 0.3100 ( 3556 PWs) bands (ev):
-4.3361 -4.3361 -4.3360 -4.3360 -3.4812 -3.4812 -3.4811 -3.4811
4.2293 4.2293 4.2294 4.2294 4.7986 4.7986 4.7986 4.7986
6.7676 6.7676 6.7677 6.7677 7.5792 7.5792 7.5792 7.5792
8.3198 8.3198 8.3199 8.3199 8.4005 8.4005 8.4007 8.4007
9.3669 9.3669 9.3671 9.3671 9.4365 9.4365 9.4368 9.4368
11.1356 11.1356 11.1358 11.1358 11.6505 11.6505 11.6507 11.6507
k = 0.1477 0.3732 0.3100 ( 3556 PWs) bands (ev):
-4.3475 -4.3475 -4.3474 -4.3474 -3.5013 -3.5013 -3.5013 -3.5013
4.2377 4.2377 4.2378 4.2378 4.8617 4.8617 4.8618 4.8618
6.7247 6.7247 6.7248 6.7248 7.6668 7.6668 7.6668 7.6668
8.3421 8.3421 8.3423 8.3423 8.4163 8.4163 8.4164 8.4164
9.3538 9.3538 9.3540 9.3540 9.4225 9.4225 9.4228 9.4228
11.1166 11.1166 11.1168 11.1168 11.6659 11.6659 11.6661 11.6661
k = 0.1364 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.3582 -4.3582 -4.3582 -4.3582 -3.5202 -3.5202 -3.5202 -3.5202
4.2445 4.2445 4.2446 4.2446 4.9241 4.9241 4.9242 4.9242
6.6814 6.6814 6.6815 6.6815 7.7556 7.7556 7.7557 7.7557
8.3432 8.3432 8.3434 8.3434 8.4540 8.4540 8.4541 8.4541
9.3391 9.3391 9.3393 9.3393 9.4070 9.4070 9.4072 9.4072
11.0965 11.0965 11.0967 11.0967 11.6856 11.6856 11.6857 11.6857
k = 0.1250 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.3683 -4.3683 -4.3682 -4.3682 -3.5378 -3.5378 -3.5378 -3.5378
4.2499 4.2499 4.2499 4.2499 4.9854 4.9854 4.9854 4.9854
6.6379 6.6379 6.6380 6.6380 7.8446 7.8446 7.8446 7.8446
8.3382 8.3382 8.3384 8.3384 8.4990 8.4990 8.4990 8.4990
9.3227 9.3227 9.3229 9.3229 9.3901 9.3901 9.3904 9.3904
11.0754 11.0754 11.0756 11.0756 11.7092 11.7092 11.7094 11.7094
k = 0.1136 0.3732 0.3100 ( 3556 PWs) bands (ev):
-4.3776 -4.3776 -4.3775 -4.3775 -3.5541 -3.5541 -3.5541 -3.5541
4.2541 4.2541 4.2541 4.2541 5.0451 5.0451 5.0452 5.0452
6.5945 6.5945 6.5946 6.5946 7.9321 7.9321 7.9322 7.9322
8.3333 8.3333 8.3336 8.3336 8.5452 8.5452 8.5452 8.5452
9.3043 9.3043 9.3045 9.3045 9.3718 9.3718 9.3721 9.3721
11.0536 11.0536 11.0538 11.0538 11.7364 11.7364 11.7365 11.7365
k = 0.1023 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.3861 -4.3861 -4.3861 -4.3861 -3.5690 -3.5690 -3.5690 -3.5690
4.2573 4.2573 4.2573 4.2573 5.1030 5.1030 5.1031 5.1031
6.5517 6.5517 6.5518 6.5518 8.0161 8.0161 8.0161 8.0161
8.3317 8.3317 8.3319 8.3319 8.5911 8.5911 8.5911 8.5911
9.2837 9.2837 9.2839 9.2839 9.3524 9.3524 9.3526 9.3526
11.0315 11.0315 11.0317 11.0317 11.7664 11.7664 11.7665 11.7665
k = 0.0909 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.3938 -4.3938 -4.3938 -4.3938 -3.5825 -3.5825 -3.5824 -3.5824
4.2597 4.2597 4.2597 4.2597 5.1586 5.1586 5.1586 5.1586
6.5097 6.5097 6.5098 6.5098 8.0924 8.0924 8.0924 8.0924
8.3367 8.3367 8.3369 8.3369 8.6360 8.6360 8.6360 8.6360
9.2607 9.2607 9.2609 9.2609 9.3317 9.3317 9.3320 9.3320
11.0095 11.0095 11.0097 11.0097 11.7983 11.7983 11.7984 11.7984
k = 0.0795 0.3732 0.3100 ( 3544 PWs) bands (ev):
-4.4007 -4.4007 -4.4007 -4.4007 -3.5944 -3.5944 -3.5944 -3.5944
4.2614 4.2614 4.2614 4.2614 5.2111 5.2111 5.2112 5.2112
6.4692 6.4692 6.4693 6.4693 8.1541 8.1541 8.1542 8.1542
8.3547 8.3547 8.3548 8.3548 8.6796 8.6796 8.6797 8.6797
9.2349 9.2349 9.2351 9.2351 9.3105 9.3105 9.3108 9.3108
10.9881 10.9881 10.9884 10.9884 11.8311 11.8311 11.8313 11.8313
k = 0.0682 0.3732 0.3100 ( 3540 PWs) bands (ev):
-4.4067 -4.4067 -4.4067 -4.4067 -3.6048 -3.6048 -3.6048 -3.6048
4.2626 4.2626 4.2626 4.2626 5.2601 5.2601 5.2601 5.2601
6.4309 6.4309 6.4310 6.4310 8.1939 8.1939 8.1941 8.1941
8.3916 8.3916 8.3916 8.3916 8.7218 8.7218 8.7219 8.7219
9.2061 9.2061 9.2063 9.2063 9.2891 9.2891 9.2894 9.2894
10.9679 10.9679 10.9682 10.9682 11.8637 11.8637 11.8639 11.8639
k = 0.0568 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.4119 -4.4119 -4.4118 -4.4118 -3.6137 -3.6137 -3.6137 -3.6137
4.2633 4.2633 4.2634 4.2634 5.3045 5.3045 5.3045 5.3045
6.3955 6.3955 6.3957 6.3957 8.2135 8.2135 8.2138 8.2138
8.4443 8.4443 8.4443 8.4443 8.7625 8.7625 8.7626 8.7626
9.1740 9.1740 9.1742 9.1742 9.2681 9.2681 9.2683 9.2683
10.9494 10.9494 10.9497 10.9497 11.8947 11.8947 11.8948 11.8948
k = 0.0455 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.4161 -4.4161 -4.4161 -4.4161 -3.6210 -3.6210 -3.6210 -3.6210
4.2638 4.2638 4.2639 4.2639 5.3433 5.3433 5.3433 5.3433
6.3641 6.3641 6.3642 6.3642 8.2218 8.2218 8.2220 8.2220
8.5021 8.5021 8.5022 8.5022 8.8020 8.8020 8.8020 8.8020
9.1388 9.1388 9.1390 9.1390 9.2485 9.2485 9.2487 9.2487
10.9333 10.9333 10.9335 10.9335 11.9226 11.9226 11.9228 11.9228
k = 0.0341 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.4194 -4.4194 -4.4194 -4.4194 -3.6267 -3.6267 -3.6267 -3.6267
4.2641 4.2641 4.2642 4.2642 5.3754 5.3754 5.3754 5.3754
6.3379 6.3379 6.3380 6.3380 8.2249 8.2249 8.2252 8.2252
8.5561 8.5561 8.5561 8.5561 8.8406 8.8406 8.8406 8.8406
9.1007 9.1007 9.1009 9.1009 9.2312 9.2312 9.2315 9.2315
10.9200 10.9200 10.9203 10.9203 11.9462 11.9462 11.9464 11.9464
k = 0.0227 0.3732 0.3100 ( 3552 PWs) bands (ev):
-4.4218 -4.4218 -4.4217 -4.4217 -3.6308 -3.6308 -3.6308 -3.6308
4.2643 4.2643 4.2644 4.2644 5.3995 5.3995 5.3995 5.3995
6.3179 6.3179 6.3180 6.3180 8.2260 8.2260 8.2263 8.2263
8.5999 8.5999 8.5999 8.5999 8.8787 8.8787 8.8788 8.8788
9.0609 9.0609 9.0611 9.0611 9.2174 9.2174 9.2177 9.2177
10.9102 10.9102 10.9105 10.9105 11.9641 11.9641 11.9643 11.9643
k = 0.0114 0.3732 0.3100 ( 3548 PWs) bands (ev):
-4.4232 -4.4232 -4.4231 -4.4231 -3.6333 -3.6333 -3.6332 -3.6332
4.2644 4.2644 4.2645 4.2645 5.4145 5.4145 5.4146 5.4146
6.3054 6.3054 6.3055 6.3055 8.2263 8.2263 8.2265 8.2265
8.6286 8.6286 8.6286 8.6286 8.9153 8.9153 8.9153 8.9153
9.0222 9.0222 9.0224 9.0224 9.2086 9.2086 9.2089 9.2089
10.9041 10.9041 10.9044 10.9044 11.9753 11.9753 11.9755 11.9755
k = 0.0000 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.4237 -4.4237 -4.4236 -4.4236 -3.6341 -3.6341 -3.6341 -3.6341
4.2644 4.2644 4.2645 4.2645 5.4196 5.4196 5.4197 5.4197
6.3010 6.3010 6.3012 6.3012 8.2263 8.2263 8.2265 8.2265
8.6385 8.6385 8.6385 8.6385 8.9368 8.9368 8.9368 8.9368
8.9997 8.9997 9.0000 9.0000 9.2054 9.2054 9.2057 9.2057
10.9021 10.9021 10.9023 10.9023 11.9790 11.9790 11.9792 11.9792
k = 0.0000 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.4237 -4.4237 -4.4236 -4.4236 -3.6341 -3.6341 -3.6341 -3.6341
4.2644 4.2644 4.2645 4.2645 5.4196 5.4196 5.4197 5.4197
6.3010 6.3010 6.3012 6.3012 8.2263 8.2263 8.2265 8.2265
8.6385 8.6385 8.6385 8.6385 8.9368 8.9368 8.9368 8.9368
8.9997 8.9997 9.0000 9.0000 9.2054 9.2054 9.2057 9.2057
10.9021 10.9021 10.9023 10.9023 11.9790 11.9790 11.9792 11.9792
k = 0.0000 0.3619 0.3100 ( 3552 PWs) bands (ev):
-4.4283 -4.4283 -4.4283 -4.4283 -3.6283 -3.6283 -3.6283 -3.6283
4.2619 4.2619 4.2619 4.2619 5.4233 5.4233 5.4233 5.4233
6.3016 6.3016 6.3017 6.3017 8.2170 8.2170 8.2172 8.2172
8.6369 8.6369 8.6370 8.6370 8.9198 8.9198 8.9198 8.9198
9.0160 9.0160 9.0163 9.0163 9.2101 9.2101 9.2104 9.2104
10.9041 10.9041 10.9044 10.9044 11.9807 11.9807 11.9808 11.9808
k = 0.0000 0.3506 0.3100 ( 3556 PWs) bands (ev):
-4.4419 -4.4419 -4.4419 -4.4419 -3.6114 -3.6114 -3.6113 -3.6113
4.2543 4.2543 4.2544 4.2544 5.4341 5.4341 5.4341 5.4341
6.3032 6.3032 6.3033 6.3033 8.1895 8.1895 8.1898 8.1898
8.6321 8.6321 8.6321 8.6321 8.8885 8.8885 8.8886 8.8886
9.0456 9.0456 9.0458 9.0458 9.2232 9.2232 9.2235 9.2235
10.9102 10.9102 10.9105 10.9105 11.9855 11.9855 11.9856 11.9856
k = 0.0000 0.3393 0.3100 ( 3558 PWs) bands (ev):
-4.4633 -4.4633 -4.4632 -4.4632 -3.5844 -3.5844 -3.5844 -3.5844
4.2422 4.2422 4.2423 4.2423 5.4516 5.4516 5.4516 5.4516
6.3058 6.3058 6.3059 6.3059 8.1455 8.1455 8.1457 8.1457
8.6235 8.6235 8.6235 8.6235 8.8560 8.8560 8.8561 8.8561
9.0764 9.0764 9.0766 9.0766 9.2432 9.2432 9.2435 9.2435
10.9201 10.9201 10.9203 10.9203 11.9934 11.9934 11.9935 11.9935
k = 0.0000 0.3280 0.3100 ( 3562 PWs) bands (ev):
-4.4910 -4.4910 -4.4909 -4.4909 -3.5490 -3.5490 -3.5489 -3.5489
4.2259 4.2259 4.2260 4.2260 5.4753 5.4753 5.4753 5.4753
6.3094 6.3094 6.3095 6.3095 8.0871 8.0871 8.0873 8.0873
8.6101 8.6101 8.6101 8.6101 8.8264 8.8264 8.8264 8.8264
9.1061 9.1061 9.1063 9.1063 9.2679 9.2679 9.2682 9.2682
10.9331 10.9331 10.9334 10.9334 12.0043 12.0043 12.0045 12.0045
k = 0.0000 0.3167 0.3100 ( 3556 PWs) bands (ev):
-4.5234 -4.5234 -4.5234 -4.5234 -3.5066 -3.5066 -3.5066 -3.5066
4.2062 4.2062 4.2063 4.2063 5.5044 5.5044 5.5044 5.5044
6.3140 6.3140 6.3141 6.3141 8.0166 8.0166 8.0168 8.0168
8.5906 8.5906 8.5907 8.5907 8.8021 8.8021 8.8022 8.8022
9.1340 9.1340 9.1342 9.1342 9.2955 9.2955 9.2958 9.2958
10.9487 10.9487 10.9490 10.9490 12.0183 12.0183 12.0185 12.0185
k = 0.0000 0.3054 0.3100 ( 3550 PWs) bands (ev):
-4.5593 -4.5593 -4.5593 -4.5593 -3.4588 -3.4588 -3.4587 -3.4587
4.1837 4.1837 4.1837 4.1837 5.5380 5.5380 5.5381 5.5381
6.3196 6.3196 6.3197 6.3197 7.9364 7.9364 7.9365 7.9365
8.5643 8.5643 8.5644 8.5644 8.7847 8.7847 8.7848 8.7848
9.1594 9.1594 9.1596 9.1596 9.3245 9.3245 9.3248 9.3248
10.9662 10.9662 10.9664 10.9664 12.0353 12.0353 12.0354 12.0354
k = 0.0000 0.2941 0.3100 ( 3554 PWs) bands (ev):
-4.5975 -4.5975 -4.5974 -4.5974 -3.4066 -3.4066 -3.4066 -3.4066
4.1590 4.1590 4.1590 4.1590 5.5754 5.5754 5.5754 5.5754
6.3262 6.3262 6.3263 6.3263 7.8486 7.8486 7.8487 7.8487
8.5316 8.5316 8.5316 8.5316 8.7741 8.7741 8.7742 8.7742
9.1823 9.1823 9.1825 9.1825 9.3539 9.3539 9.3542 9.3542
10.9846 10.9846 10.9849 10.9849 12.0549 12.0549 12.0551 12.0551
k = 0.0000 0.2828 0.3100 ( 3554 PWs) bands (ev):
-4.6370 -4.6370 -4.6370 -4.6370 -3.3512 -3.3512 -3.3512 -3.3512
4.1328 4.1328 4.1328 4.1328 5.6156 5.6156 5.6156 5.6156
6.3338 6.3338 6.3339 6.3339 7.7551 7.7551 7.7552 7.7552
8.4936 8.4936 8.4937 8.4937 8.7693 8.7693 8.7695 8.7695
9.2023 9.2023 9.2026 9.2026 9.3830 9.3830 9.3833 9.3833
11.0032 11.0032 11.0035 11.0035 12.0773 12.0773 12.0774 12.0774
k = 0.0000 0.2714 0.3100 ( 3550 PWs) bands (ev):
-4.6772 -4.6772 -4.6772 -4.6772 -3.2933 -3.2933 -3.2933 -3.2933
4.1056 4.1056 4.1057 4.1057 5.6578 5.6578 5.6578 5.6578
6.3423 6.3423 6.3424 6.3424 7.6577 7.6577 7.6578 7.6578
8.4520 8.4520 8.4521 8.4521 8.7692 8.7692 8.7693 8.7693
9.2197 9.2197 9.2199 9.2199 9.4115 9.4115 9.4118 9.4118
11.0213 11.0213 11.0215 11.0215 12.1020 12.1020 12.1022 12.1022
k = 0.0000 0.2601 0.3100 ( 3552 PWs) bands (ev):
-4.7175 -4.7175 -4.7175 -4.7175 -3.2337 -3.2337 -3.2336 -3.2336
4.0780 4.0780 4.0780 4.0780 5.7009 5.7009 5.7009 5.7009
6.3517 6.3517 6.3519 6.3519 7.5579 7.5579 7.5580 7.5580
8.4080 8.4080 8.4081 8.4081 8.7725 8.7725 8.7727 8.7727
9.2342 9.2342 9.2344 9.2344 9.4390 9.4390 9.4393 9.4393
11.0381 11.0381 11.0383 11.0383 12.1290 12.1290 12.1292 12.1292
k = 0.0000 0.2488 0.3100 ( 3548 PWs) bands (ev):
-4.7575 -4.7575 -4.7575 -4.7575 -3.1727 -3.1727 -3.1727 -3.1727
4.0504 4.0504 4.0504 4.0504 5.7441 5.7441 5.7441 5.7441
6.3620 6.3620 6.3622 6.3622 7.4572 7.4572 7.4573 7.4573
8.3625 8.3625 8.3626 8.3626 8.7786 8.7786 8.7788 8.7788
9.2462 9.2462 9.2464 9.2464 9.4653 9.4653 9.4656 9.4656
11.0529 11.0529 11.0532 11.0532 12.1580 12.1580 12.1582 12.1582
k = 0.0000 0.2375 0.3100 ( 3538 PWs) bands (ev):
-4.7969 -4.7969 -4.7969 -4.7969 -3.1110 -3.1110 -3.1110 -3.1110
4.0231 4.0231 4.0231 4.0231 5.7864 5.7864 5.7864 5.7864
6.3732 6.3732 6.3733 6.3733 7.3572 7.3572 7.3572 7.3572
8.3162 8.3162 8.3162 8.3162 8.7870 8.7870 8.7872 8.7872
9.2557 9.2557 9.2560 9.2560 9.4904 9.4904 9.4907 9.4907
11.0653 11.0653 11.0655 11.0655 12.1886 12.1886 12.1887 12.1887
k = 0.0000 0.2262 0.3100 ( 3534 PWs) bands (ev):
-4.8354 -4.8354 -4.8354 -4.8354 -3.0490 -3.0490 -3.0490 -3.0490
3.9964 3.9964 3.9964 3.9964 5.8264 5.8264 5.8264 5.8264
6.3852 6.3852 6.3853 6.3853 7.2594 7.2594 7.2594 7.2594
8.2695 8.2695 8.2695 8.2695 8.7974 8.7974 8.7976 8.7976
9.2631 9.2631 9.2634 9.2634 9.5141 9.5141 9.5145 9.5145
11.0747 11.0747 11.0749 11.0749 12.2203 12.2203 12.2205 12.2205
k = 0.0000 0.2149 0.3100 ( 3530 PWs) bands (ev):
-4.8727 -4.8727 -4.8727 -4.8727 -2.9871 -2.9871 -2.9870 -2.9870
3.9707 3.9707 3.9707 3.9707 5.8629 5.8629 5.8629 5.8629
6.3980 6.3980 6.3981 6.3981 7.1655 7.1655 7.1655 7.1655
8.2228 8.2228 8.2229 8.2229 8.8095 8.8095 8.8097 8.8097
9.2685 9.2685 9.2688 9.2688 9.5365 9.5365 9.5368 9.5368
11.0809 11.0809 11.0811 11.0811 12.2527 12.2527 12.2529 12.2529
k = 0.0000 0.2036 0.3100 ( 3524 PWs) bands (ev):
-4.9088 -4.9088 -4.9088 -4.9088 -2.9255 -2.9255 -2.9255 -2.9255
3.9461 3.9461 3.9461 3.9461 5.8942 5.8942 5.8942 5.8942
6.4114 6.4114 6.4115 6.4115 7.0774 7.0774 7.0774 7.0774
8.1764 8.1764 8.1765 8.1765 8.8232 8.8232 8.8234 8.8234
9.2723 9.2723 9.2726 9.2726 9.5574 9.5574 9.5577 9.5577
11.0836 11.0836 11.0837 11.0837 12.2848 12.2848 12.2849 12.2849
k = 0.0000 0.1923 0.3100 ( 3528 PWs) bands (ev):
-4.9434 -4.9434 -4.9434 -4.9434 -2.8647 -2.8647 -2.8647 -2.8647
3.9228 3.9228 3.9228 3.9228 5.9183 5.9183 5.9184 5.9184
6.4256 6.4256 6.4257 6.4257 6.9973 6.9973 6.9973 6.9973
8.1306 8.1306 8.1307 8.1307 8.8383 8.8383 8.8385 8.8385
9.2745 9.2745 9.2748 9.2748 9.5769 9.5769 9.5772 9.5772
11.0826 11.0826 11.0827 11.0827 12.3150 12.3150 12.3152 12.3152
k = 0.0000 0.1810 0.3100 ( 3544 PWs) bands (ev):
-4.9765 -4.9765 -4.9764 -4.9764 -2.8051 -2.8051 -2.8051 -2.8051
3.9010 3.9010 3.9010 3.9010 5.9334 5.9334 5.9334 5.9334
6.4403 6.4403 6.4404 6.4404 6.9274 6.9274 6.9275 6.9275
8.0856 8.0856 8.0857 8.0857 8.8547 8.8547 8.8549 8.8549
9.2755 9.2755 9.2757 9.2757 9.5948 9.5948 9.5951 9.5951
11.0779 11.0779 11.0780 11.0780 12.3406 12.3406 12.3407 12.3407
k = 0.0000 0.1697 0.3100 ( 3544 PWs) bands (ev):
-5.0079 -5.0079 -5.0078 -5.0078 -2.7469 -2.7469 -2.7469 -2.7469
3.8808 3.8808 3.8808 3.8808 5.9374 5.9374 5.9374 5.9374
6.4556 6.4556 6.4557 6.4557 6.8700 6.8700 6.8700 6.8700
8.0415 8.0415 8.0416 8.0416 8.8725 8.8725 8.8727 8.8727
9.2755 9.2755 9.2758 9.2758 9.6114 9.6114 9.6118 9.6118
11.0696 11.0696 11.0697 11.0697 12.3571 12.3571 12.3573 12.3573
k = 0.0000 0.1583 0.3100 ( 3544 PWs) bands (ev):
-5.0375 -5.0375 -5.0375 -5.0375 -2.6904 -2.6904 -2.6904 -2.6904
3.8622 3.8622 3.8622 3.8622 5.9290 5.9290 5.9290 5.9290
6.4714 6.4714 6.4715 6.4715 6.8265 6.8266 6.8266 6.8266
7.9987 7.9987 7.9988 7.9988 8.8914 8.8914 8.8915 8.8915
9.2746 9.2746 9.2749 9.2749 9.6267 9.6267 9.6270 9.6270
11.0578 11.0578 11.0579 11.0579 12.3614 12.3614 12.3616 12.3616
k = 0.0000 0.1470 0.3100 ( 3544 PWs) bands (ev):
-5.0654 -5.0654 -5.0654 -5.0654 -2.6361 -2.6361 -2.6360 -2.6360
3.8454 3.8454 3.8454 3.8454 5.9080 5.9080 5.9080 5.9080
6.4875 6.4875 6.4876 6.4876 6.7975 6.7975 6.7976 6.7976
7.9573 7.9573 7.9574 7.9574 8.9112 8.9112 8.9114 8.9114
9.2732 9.2732 9.2735 9.2735 9.6405 9.6405 9.6409 9.6409
11.0428 11.0428 11.0428 11.0428 12.3557 12.3557 12.3558 12.3558
k = 0.0000 0.1357 0.3100 ( 3544 PWs) bands (ev):
-5.0914 -5.0914 -5.0913 -5.0913 -2.5841 -2.5841 -2.5841 -2.5841
3.8303 3.8303 3.8303 3.8303 5.8757 5.8757 5.8758 5.8758
6.5038 6.5038 6.5039 6.5039 6.7818 6.7818 6.7818 6.7818
7.9174 7.9174 7.9176 7.9176 8.9319 8.9319 8.9321 8.9321
9.2712 9.2712 9.2715 9.2715 9.6531 9.6531 9.6535 9.6535
11.0249 11.0249 11.0249 11.0249 12.3446 12.3446 12.3447 12.3447
k = 0.0000 0.1244 0.3100 ( 3558 PWs) bands (ev):
-5.1154 -5.1154 -5.1154 -5.1154 -2.5349 -2.5349 -2.5348 -2.5348
3.8169 3.8169 3.8170 3.8170 5.8347 5.8347 5.8347 5.8347
6.5199 6.5199 6.5200 6.5200 6.7772 6.7772 6.7772 6.7772
7.8794 7.8794 7.8795 7.8795 8.9532 8.9532 8.9533 8.9533
9.2689 9.2689 9.2692 9.2692 9.6644 9.6644 9.6647 9.6647
11.0046 11.0046 11.0046 11.0046 12.3313 12.3313 12.3315 12.3315
k = 0.0000 0.1131 0.3100 ( 3558 PWs) bands (ev):
-5.1375 -5.1375 -5.1375 -5.1375 -2.4887 -2.4887 -2.4886 -2.4886
3.8053 3.8053 3.8053 3.8053 5.7878 5.7878 5.7879 5.7879
6.5357 6.5357 6.5358 6.5358 6.7810 6.7810 6.7811 6.7811
7.8434 7.8434 7.8436 7.8436 8.9747 8.9747 8.9749 8.9749
9.2665 9.2665 9.2668 9.2668 9.6745 9.6745 9.6748 9.6748
10.9823 10.9823 10.9824 10.9824 12.3178 12.3178 12.3179 12.3179
k = 0.0000 0.1018 0.3100 ( 3562 PWs) bands (ev):
-5.1576 -5.1576 -5.1576 -5.1576 -2.4458 -2.4458 -2.4457 -2.4457
3.7954 3.7954 3.7954 3.7954 5.7381 5.7381 5.7382 5.7382
6.5510 6.5510 6.5512 6.5512 6.7906 6.7906 6.7907 6.7907
7.8097 7.8097 7.8099 7.8099 8.9963 8.9963 8.9965 8.9965
9.2639 9.2639 9.2643 9.2643 9.6834 9.6834 9.6838 9.6838
10.9588 10.9588 10.9589 10.9589 12.3046 12.3046 12.3048 12.3048
k = 0.0000 0.0905 0.3100 ( 3566 PWs) bands (ev):
-5.1757 -5.1757 -5.1757 -5.1757 -2.4065 -2.4065 -2.4065 -2.4065
3.7870 3.7870 3.7870 3.7870 5.6882 5.6882 5.6882 5.6882
6.5657 6.5657 6.5658 6.5658 6.8037 6.8037 6.8038 6.8038
7.7785 7.7785 7.7787 7.7787 9.0175 9.0175 9.0177 9.0177
9.2615 9.2615 9.2618 9.2618 9.6913 9.6913 9.6916 9.6916
10.9348 10.9348 10.9349 10.9349 12.2925 12.2925 12.2927 12.2927
k = 0.0000 0.0792 0.3100 ( 3574 PWs) bands (ev):
-5.1917 -5.1917 -5.1917 -5.1917 -2.3711 -2.3711 -2.3711 -2.3711
3.7801 3.7801 3.7801 3.7801 5.6400 5.6400 5.6400 5.6400
6.5793 6.5793 6.5795 6.5795 6.8184 6.8184 6.8185 6.8185
7.7501 7.7501 7.7503 7.7503 9.0379 9.0379 9.0381 9.0381
9.2591 9.2591 9.2594 9.2594 9.6981 9.6981 9.6984 9.6984
10.9109 10.9109 10.9110 10.9110 12.2815 12.2815 12.2817 12.2817
k = 0.0000 0.0679 0.3100 ( 3578 PWs) bands (ev):
-5.2056 -5.2056 -5.2056 -5.2056 -2.3399 -2.3399 -2.3399 -2.3399
3.7746 3.7746 3.7746 3.7746 5.5953 5.5953 5.5953 5.5953
6.5919 6.5919 6.5920 6.5920 6.8334 6.8334 6.8334 6.8334
7.7248 7.7248 7.7249 7.7249 9.0570 9.0570 9.0572 9.0572
9.2569 9.2569 9.2573 9.2573 9.7038 9.7038 9.7042 9.7042
10.8879 10.8879 10.8881 10.8881 12.2719 12.2719 12.2721 12.2721
k = 0.0000 0.0566 0.3100 ( 3578 PWs) bands (ev):
-5.2174 -5.2174 -5.2174 -5.2174 -2.3131 -2.3131 -2.3130 -2.3130
3.7702 3.7702 3.7702 3.7702 5.5554 5.5554 5.5554 5.5554
6.6031 6.6031 6.6032 6.6032 6.8474 6.8474 6.8475 6.8475
7.7027 7.7027 7.7029 7.7029 9.0744 9.0744 9.0746 9.0746
9.2551 9.2551 9.2554 9.2554 9.7086 9.7086 9.7090 9.7090
10.8667 10.8667 10.8669 10.8669 12.2637 12.2637 12.2639 12.2639
k = 0.0000 0.0452 0.3100 ( 3578 PWs) bands (ev):
-5.2271 -5.2271 -5.2271 -5.2271 -2.2908 -2.2908 -2.2908 -2.2908
3.7669 3.7669 3.7669 3.7669 5.5214 5.5214 5.5215 5.5215
6.6127 6.6127 6.6128 6.6128 6.8598 6.8598 6.8599 6.8599
7.6843 7.6843 7.6845 7.6845 9.0894 9.0894 9.0896 9.0896
9.2536 9.2536 9.2539 9.2539 9.7125 9.7125 9.7129 9.7129
10.8481 10.8481 10.8483 10.8483 12.2570 12.2570 12.2572 12.2572
k = 0.0000 0.0339 0.3100 ( 3576 PWs) bands (ev):
-5.2346 -5.2346 -5.2346 -5.2346 -2.2733 -2.2733 -2.2733 -2.2733
3.7645 3.7645 3.7645 3.7645 5.4942 5.4942 5.4942 5.4942
6.6204 6.6204 6.6205 6.6205 6.8699 6.8699 6.8700 6.8700
7.6697 7.6697 7.6698 7.6698 9.1016 9.1016 9.1019 9.1019
9.2525 9.2525 9.2528 9.2528 9.7155 9.7155 9.7159 9.7159
10.8327 10.8327 10.8329 10.8329 12.2518 12.2518 12.2520 12.2520
k = 0.0000 0.0226 0.3100 ( 3568 PWs) bands (ev):
-5.2400 -5.2400 -5.2400 -5.2400 -2.2607 -2.2607 -2.2606 -2.2606
3.7629 3.7629 3.7629 3.7629 5.4743 5.4743 5.4743 5.4743
6.6261 6.6261 6.6262 6.6262 6.8775 6.8775 6.8776 6.8776
7.6590 7.6590 7.6592 7.6592 9.1107 9.1107 9.1110 9.1110
9.2518 9.2518 9.2521 9.2521 9.7177 9.7177 9.7180 9.7180
10.8212 10.8212 10.8215 10.8215 12.2480 12.2480 12.2483 12.2483
k = 0.0000 0.0113 0.3100 ( 3568 PWs) bands (ev):
-5.2432 -5.2432 -5.2432 -5.2432 -2.2531 -2.2531 -2.2530 -2.2530
3.7620 3.7620 3.7620 3.7620 5.4622 5.4622 5.4622 5.4622
6.6295 6.6295 6.6297 6.6297 6.8821 6.8821 6.8822 6.8822
7.6526 7.6526 7.6528 7.6528 9.1163 9.1163 9.1165 9.1165
9.2513 9.2513 9.2516 9.2516 9.7189 9.7189 9.7193 9.7193
10.8142 10.8142 10.8144 10.8144 12.2458 12.2458 12.2460 12.2460
k = 0.0000 0.0000 0.3100 ( 3568 PWs) bands (ev):
-5.2443 -5.2443 -5.2443 -5.2443 -2.2505 -2.2505 -2.2505 -2.2505
3.7617 3.7617 3.7617 3.7617 5.4581 5.4581 5.4581 5.4581
6.6307 6.6307 6.6308 6.6308 6.8836 6.8836 6.8837 6.8837
7.6504 7.6504 7.6506 7.6506 9.1182 9.1182 9.1184 9.1184
9.2511 9.2511 9.2515 9.2515 9.7193 9.7193 9.7197 9.7197
10.8118 10.8118 10.8120 10.8120 12.2451 12.2451 12.2453 12.2453
k = 0.0000 0.3732-0.0000 ( 3544 PWs) bands (ev):
-4.8045 -4.8045 -4.8045 -4.8045 -3.0135 -3.0135 -3.0135 -3.0135
3.0826 3.0826 3.0826 3.0826 6.3339 6.3339 6.3340 6.3340
6.7660 6.7660 6.7661 6.7661 7.2480 7.2480 7.2482 7.2482
8.2237 8.2237 8.2239 8.2239 9.0840 9.0840 9.0842 9.0842
9.3406 9.3406 9.3410 9.3410 9.9198 9.9198 9.9201 9.9201
11.4393 11.4393 11.4394 11.4394 11.9199 11.9199 11.9201 11.9201
k = 0.0000 0.3732 0.0111 ( 3540 PWs) bands (ev):
-4.8037 -4.8037 -4.8037 -4.8037 -3.0152 -3.0152 -3.0152 -3.0152
3.0853 3.0853 3.0854 3.0854 6.3338 6.3338 6.3339 6.3339
6.7582 6.7582 6.7583 6.7583 7.2561 7.2561 7.2563 7.2563
8.2247 8.2247 8.2249 8.2249 9.0815 9.0815 9.0817 9.0817
9.3398 9.3398 9.3402 9.3402 9.9182 9.9182 9.9184 9.9184
11.4398 11.4398 11.4399 11.4399 11.9201 11.9201 11.9204 11.9204
k = 0.0000 0.3732 0.0221 ( 3534 PWs) bands (ev):
-4.8012 -4.8012 -4.8012 -4.8012 -3.0201 -3.0201 -3.0201 -3.0201
3.0935 3.0935 3.0935 3.0935 6.3333 6.3333 6.3335 6.3335
6.7362 6.7362 6.7363 6.7363 7.2791 7.2791 7.2792 7.2792
8.2279 8.2279 8.2280 8.2280 9.0740 9.0740 9.0742 9.0742
9.3376 9.3376 9.3380 9.3380 9.9131 9.9131 9.9134 9.9134
11.4413 11.4413 11.4413 11.4413 11.9209 11.9209 11.9211 11.9211
k = 0.0000 0.3732 0.0332 ( 3530 PWs) bands (ev):
-4.7972 -4.7972 -4.7971 -4.7971 -3.0282 -3.0282 -3.0282 -3.0282
3.1070 3.1070 3.1070 3.1070 6.3325 6.3325 6.3327 6.3327
6.7032 6.7032 6.7033 6.7033 7.3137 7.3137 7.3139 7.3139
8.2330 8.2330 8.2332 8.2332 9.0615 9.0615 9.0617 9.0617
9.3341 9.3341 9.3345 9.3345 9.9048 9.9048 9.9051 9.9051
11.4433 11.4433 11.4434 11.4434 11.9221 11.9221 11.9223 11.9223
k = 0.0000 0.3732 0.0443 ( 3534 PWs) bands (ev):
-4.7914 -4.7914 -4.7914 -4.7914 -3.0395 -3.0395 -3.0395 -3.0395
3.1258 3.1258 3.1258 3.1258 6.3314 6.3314 6.3315 6.3315
6.6623 6.6623 6.6624 6.6624 7.3568 7.3568 7.3569 7.3569
8.2403 8.2403 8.2404 8.2404 9.0440 9.0440 9.0442 9.0442
9.3296 9.3296 9.3300 9.3300 9.8932 9.8932 9.8935 9.8935
11.4453 11.4453 11.4454 11.4454 11.9237 11.9237 11.9239 11.9239
k = 0.0000 0.3732 0.0554 ( 3534 PWs) bands (ev):
-4.7841 -4.7841 -4.7841 -4.7841 -3.0538 -3.0538 -3.0538 -3.0538
3.1497 3.1497 3.1497 3.1497 6.3299 6.3299 6.3300 6.3300
6.6161 6.6161 6.6162 6.6162 7.4056 7.4056 7.4057 7.4057
8.2495 8.2495 8.2497 8.2497 9.0218 9.0218 9.0221 9.0221
9.3245 9.3245 9.3248 9.3248 9.8785 9.8785 9.8788 9.8788
11.4467 11.4467 11.4468 11.4468 11.9256 11.9256 11.9258 11.9258
k = 0.0000 0.3732 0.0664 ( 3552 PWs) bands (ev):
-4.7753 -4.7753 -4.7752 -4.7752 -3.0710 -3.0710 -3.0710 -3.0710
3.1786 3.1786 3.1786 3.1786 6.3279 6.3279 6.3281 6.3281
6.5664 6.5664 6.5665 6.5665 7.4585 7.4585 7.4586 7.4586
8.2607 8.2607 8.2609 8.2609 8.9952 8.9952 8.9954 8.9954
9.3188 9.3188 9.3191 9.3191 9.8608 9.8608 9.8611 9.8611
11.4465 11.4465 11.4466 11.4466 11.9278 11.9278 11.9280 11.9280
k = 0.0000 0.3732 0.0775 ( 3552 PWs) bands (ev):
-4.7649 -4.7649 -4.7648 -4.7648 -3.0909 -3.0909 -3.0909 -3.0909
3.2123 3.2123 3.2123 3.2123 6.3253 6.3253 6.3255 6.3255
6.5145 6.5145 6.5146 6.5146 7.5144 7.5144 7.5145 7.5145
8.2738 8.2738 8.2740 8.2740 8.9647 8.9647 8.9649 8.9649
9.3129 9.3129 9.3132 9.3132 9.8403 9.8403 9.8405 9.8405
11.4440 11.4440 11.4441 11.4441 11.9302 11.9302 11.9304 11.9304
k = 0.0000 0.3732 0.0886 ( 3562 PWs) bands (ev):
-4.7530 -4.7530 -4.7529 -4.7529 -3.1133 -3.1133 -3.1133 -3.1133
3.2505 3.2505 3.2505 3.2505 6.3216 6.3216 6.3217 6.3217
6.4615 6.4615 6.4616 6.4616 7.5722 7.5722 7.5723 7.5723
8.2888 8.2888 8.2890 8.2890 8.9309 8.9309 8.9311 8.9311
9.3067 9.3067 9.3071 9.3071 9.8170 9.8170 9.8173 9.8173
11.4383 11.4383 11.4384 11.4384 11.9327 11.9327 11.9329 11.9329
k = 0.0000 0.3732 0.0996 ( 3566 PWs) bands (ev):
-4.7397 -4.7397 -4.7396 -4.7396 -3.1382 -3.1382 -3.1381 -3.1381
3.2931 3.2931 3.2931 3.2931 6.3152 6.3152 6.3153 6.3153
6.4095 6.4095 6.4096 6.4096 7.6316 7.6316 7.6316 7.6316
8.3056 8.3056 8.3058 8.3058 8.8945 8.8945 8.8947 8.8947
9.3003 9.3003 9.3007 9.3007 9.7913 9.7913 9.7916 9.7916
11.4287 11.4287 11.4288 11.4288 11.9354 11.9354 11.9356 11.9356
k = 0.0000 0.3732 0.1107 ( 3568 PWs) bands (ev):
-4.7250 -4.7250 -4.7249 -4.7249 -3.1651 -3.1651 -3.1651 -3.1651
3.3396 3.3396 3.3397 3.3397 6.2999 6.2999 6.3000 6.3000
6.3650 6.3650 6.3650 6.3650 7.6918 7.6918 7.6919 7.6919
8.3241 8.3241 8.3243 8.3243 8.8563 8.8563 8.8565 8.8565
9.2937 9.2937 9.2940 9.2940 9.7634 9.7634 9.7636 9.7636
11.4146 11.4146 11.4147 11.4147 11.9382 11.9382 11.9384 11.9384
k = 0.0000 0.3732 0.1218 ( 3568 PWs) bands (ev):
-4.7090 -4.7090 -4.7089 -4.7089 -3.1939 -3.1939 -3.1938 -3.1938
3.3899 3.3899 3.3899 3.3899 6.2633 6.2633 6.2633 6.2633
6.3405 6.3405 6.3407 6.3407 7.7527 7.7527 7.7527 7.7527
8.3442 8.3442 8.3444 8.3444 8.8171 8.8171 8.8174 8.8174
9.2866 9.2866 9.2870 9.2870 9.7333 9.7333 9.7335 9.7335
11.3958 11.3958 11.3959 11.3959 11.9410 11.9410 11.9412 11.9412
k = 0.0000 0.3732 0.1329 ( 3564 PWs) bands (ev):
-4.6918 -4.6918 -4.6917 -4.6917 -3.2242 -3.2242 -3.2242 -3.2242
3.4436 3.4436 3.4436 3.4436 6.2108 6.2108 6.2109 6.2109
6.3309 6.3309 6.3311 6.3311 7.8136 7.8136 7.8137 7.8137
8.3658 8.3658 8.3659 8.3659 8.7780 8.7780 8.7782 8.7782
9.2791 9.2791 9.2794 9.2794 9.7014 9.7014 9.7016 9.7016
11.3722 11.3722 11.3724 11.3724 11.9440 11.9440 11.9442 11.9442
k = 0.0000 0.3732 0.1439 ( 3558 PWs) bands (ev):
-4.6734 -4.6734 -4.6734 -4.6734 -3.2560 -3.2560 -3.2560 -3.2560
3.5002 3.5002 3.5002 3.5002 6.1530 6.1530 6.1531 6.1531
6.3258 6.3258 6.3260 6.3260 7.8743 7.8743 7.8743 7.8743
8.3884 8.3884 8.3885 8.3885 8.7398 8.7398 8.7400 8.7400
9.2710 9.2710 9.2713 9.2713 9.6679 9.6679 9.6681 9.6681
11.3442 11.3442 11.3444 11.3444 11.9471 11.9471 11.9473 11.9473
k = 0.0000 0.3732 0.1550 ( 3560 PWs) bands (ev):
-4.6541 -4.6541 -4.6541 -4.6541 -3.2887 -3.2887 -3.2887 -3.2887
3.5595 3.5595 3.5595 3.5595 6.0930 6.0930 6.0931 6.0931
6.3222 6.3222 6.3224 6.3224 7.9341 7.9341 7.9341 7.9341
8.4117 8.4117 8.4118 8.4118 8.7039 8.7039 8.7041 8.7041
9.2619 9.2619 9.2623 9.2623 9.6330 9.6330 9.6332 9.6332
11.3121 11.3121 11.3123 11.3123 11.9502 11.9502 11.9504 11.9504
k = 0.0000 0.3732 0.1661 ( 3560 PWs) bands (ev):
-4.6340 -4.6340 -4.6339 -4.6339 -3.3222 -3.3222 -3.3222 -3.3222
3.6209 3.6209 3.6209 3.6209 6.0318 6.0318 6.0319 6.0319
6.3192 6.3192 6.3194 6.3194 7.9923 7.9923 7.9924 7.9924
8.4349 8.4349 8.4350 8.4350 8.6719 8.6719 8.6721 8.6721
9.2520 9.2520 9.2523 9.2523 9.5969 9.5969 9.5972 9.5972
11.2767 11.2767 11.2769 11.2769 11.9534 11.9534 11.9536 11.9536
k = 0.0000 0.3732 0.1771 ( 3560 PWs) bands (ev):
-4.6131 -4.6131 -4.6130 -4.6130 -3.3561 -3.3561 -3.3561 -3.3561
3.6840 3.6840 3.6841 3.6841 5.9699 5.9699 5.9700 5.9700
6.3166 6.3166 6.3167 6.3167 8.0482 8.0482 8.0482 8.0482
8.4566 8.4566 8.4567 8.4567 8.6462 8.6462 8.6463 8.6463
9.2409 9.2409 9.2412 9.2412 9.5600 9.5600 9.5602 9.5602
11.2387 11.2387 11.2389 11.2389 11.9565 11.9565 11.9567 11.9567
k = 0.0000 0.3732 0.1882 ( 3552 PWs) bands (ev):
-4.5918 -4.5918 -4.5917 -4.5917 -3.3900 -3.3900 -3.3900 -3.3900
3.7484 3.7484 3.7484 3.7484 5.9078 5.9078 5.9078 5.9078
6.3143 6.3143 6.3144 6.3144 8.1004 8.1004 8.1005 8.1005
8.4744 8.4744 8.4745 8.4745 8.6305 8.6305 8.6306 8.6306
9.2286 9.2286 9.2289 9.2289 9.5224 9.5224 9.5226 9.5226
11.1990 11.1990 11.1993 11.1993 11.9597 11.9597 11.9598 11.9598
k = 0.0000 0.3732 0.1993 ( 3560 PWs) bands (ev):
-4.5702 -4.5702 -4.5701 -4.5701 -3.4237 -3.4237 -3.4236 -3.4236
3.8133 3.8133 3.8133 3.8133 5.8457 5.8457 5.8457 5.8457
6.3120 6.3120 6.3122 6.3122 8.1472 8.1472 8.1473 8.1473
8.4859 8.4859 8.4860 8.4860 8.6287 8.6287 8.6288 8.6288
9.2147 9.2147 9.2150 9.2150 9.4845 9.4845 9.4847 9.4847
11.1586 11.1586 11.1589 11.1589 11.9627 11.9627 11.9628 11.9628
k = 0.0000 0.3732 0.2104 ( 3548 PWs) bands (ev):
-4.5486 -4.5486 -4.5485 -4.5485 -3.4565 -3.4565 -3.4565 -3.4565
3.8780 3.8780 3.8781 3.8781 5.7842 5.7842 5.7842 5.7842
6.3101 6.3101 6.3102 6.3102 8.1864 8.1864 8.1866 8.1866
8.4927 8.4927 8.4927 8.4927 8.6416 8.6416 8.6417 8.6417
9.1994 9.1994 9.1997 9.1997 9.4466 9.4466 9.4468 9.4468
11.1184 11.1184 11.1186 11.1186 11.9655 11.9655 11.9657 11.9657
k = 0.0000 0.3732 0.2214 ( 3550 PWs) bands (ev):
-4.5273 -4.5273 -4.5273 -4.5273 -3.4882 -3.4882 -3.4882 -3.4882
3.9419 3.9419 3.9420 3.9420 5.7238 5.7238 5.7239 5.7239
6.3083 6.3083 6.3084 6.3084 8.2156 8.2156 8.2157 8.2157
8.5002 8.5002 8.5002 8.5002 8.6655 8.6655 8.6656 8.6656
9.1823 9.1823 9.1826 9.1826 9.4089 9.4089 9.4091 9.4091
11.0793 11.0793 11.0795 11.0795 11.9682 11.9682 11.9684 11.9684
k = 0.0000 0.3732 0.2325 ( 3554 PWs) bands (ev):
-4.5068 -4.5068 -4.5068 -4.5068 -3.5182 -3.5182 -3.5182 -3.5182
4.0039 4.0039 4.0040 4.0040 5.6654 5.6654 5.6655 5.6655
6.3066 6.3066 6.3068 6.3068 8.2334 8.2334 8.2336 8.2336
8.5134 8.5134 8.5134 8.5134 8.6964 8.6964 8.6964 8.6964
9.1634 9.1634 9.1637 9.1637 9.3720 9.3720 9.3722 9.3722
11.0421 11.0421 11.0424 11.0424 11.9706 11.9706 11.9708 11.9708
k = 0.0000 0.3732 0.2436 ( 3554 PWs) bands (ev):
-4.4875 -4.4875 -4.4874 -4.4874 -3.5460 -3.5460 -3.5459 -3.5459
4.0629 4.0629 4.0630 4.0630 5.6099 5.6099 5.6099 5.6099
6.3052 6.3052 6.3053 6.3053 8.2411 8.2411 8.2414 8.2414
8.5332 8.5332 8.5332 8.5332 8.7314 8.7314 8.7315 8.7315
9.1427 9.1427 9.1430 9.1430 9.3362 9.3362 9.3365 9.3365
11.0078 11.0078 11.0081 11.0081 11.9728 11.9728 11.9730 11.9730
k = 0.0000 0.3732 0.2546 ( 3554 PWs) bands (ev):
-4.4697 -4.4697 -4.4697 -4.4697 -3.5710 -3.5710 -3.5710 -3.5710
4.1176 4.1176 4.1176 4.1176 5.5584 5.5584 5.5584 5.5584
6.3040 6.3040 6.3041 6.3041 8.2418 8.2418 8.2421 8.2421
8.5571 8.5571 8.5571 8.5571 8.7690 8.7690 8.7691 8.7691
9.1201 9.1201 9.1204 9.1204 9.3024 9.3024 9.3027 9.3027
10.9773 10.9773 10.9776 10.9776 11.9747 11.9747 11.9748 11.9748
k = 0.0000 0.3732 0.2657 ( 3546 PWs) bands (ev):
-4.4542 -4.4542 -4.4541 -4.4541 -3.5926 -3.5926 -3.5926 -3.5926
4.1662 4.1662 4.1663 4.1663 5.5125 5.5125 5.5126 5.5126
6.3029 6.3029 6.3031 6.3031 8.2386 8.2386 8.2389 8.2389
8.5820 8.5820 8.5820 8.5820 8.8081 8.8081 8.8081 8.8081
9.0957 9.0957 9.0960 9.0960 9.2715 9.2715 9.2718 9.2718
10.9512 10.9512 10.9515 10.9515 11.9763 11.9763 11.9764 11.9764
k = 0.0000 0.3732 0.2768 ( 3546 PWs) bands (ev):
-4.4413 -4.4413 -4.4413 -4.4413 -3.6102 -3.6102 -3.6102 -3.6102
4.2071 4.2071 4.2072 4.2072 5.4739 5.4739 5.4740 5.4740
6.3021 6.3021 6.3023 6.3023 8.2342 8.2342 8.2345 8.2345
8.6047 8.6047 8.6047 8.6047 8.8473 8.8473 8.8474 8.8474
9.0696 9.0696 9.0698 9.0698 9.2447 9.2447 9.2450 9.2450
10.9302 10.9302 10.9304 10.9304 11.9775 11.9775 11.9777 11.9777
k = 0.0000 0.3732 0.2879 ( 3554 PWs) bands (ev):
-4.4317 -4.4317 -4.4316 -4.4316 -3.6233 -3.6233 -3.6233 -3.6233
4.2382 4.2382 4.2382 4.2382 5.4445 5.4445 5.4445 5.4445
6.3016 6.3016 6.3017 6.3017 8.2301 8.2301 8.2303 8.2303
8.6228 8.6228 8.6228 8.6228 8.8854 8.8854 8.8854 8.8854
9.0420 9.0420 9.0422 9.0422 9.2237 9.2237 9.2240 9.2240
10.9147 10.9147 10.9149 10.9149 11.9784 11.9784 11.9785 11.9785
k = 0.0000 0.3732 0.2989 ( 3548 PWs) bands (ev):
-4.4257 -4.4257 -4.4256 -4.4256 -3.6314 -3.6314 -3.6313 -3.6313
4.2577 4.2577 4.2578 4.2578 5.4260 5.4260 5.4260 5.4260
6.3012 6.3012 6.3013 6.3013 8.2273 8.2273 8.2276 8.2276
8.6345 8.6345 8.6345 8.6345 8.9192 8.9192 8.9193 8.9193
9.0149 9.0149 9.0152 9.0152 9.2102 9.2102 9.2105 9.2105
10.9052 10.9052 10.9055 10.9055 11.9789 11.9789 11.9791 11.9791
k = 0.0000 0.3732 0.3100 ( 3560 PWs) bands (ev):
-4.4237 -4.4237 -4.4236 -4.4236 -3.6341 -3.6341 -3.6341 -3.6341
4.2644 4.2644 4.2645 4.2645 5.4196 5.4196 5.4197 5.4197
6.3010 6.3010 6.3012 6.3012 8.2263 8.2263 8.2265 8.2265
8.6385 8.6385 8.6385 8.6385 8.9368 8.9368 8.9368 8.9368
8.9997 8.9997 9.0000 9.0000 9.2054 9.2054 9.2057 9.2057
10.9021 10.9021 10.9023 10.9023 11.9790 11.9790 11.9792 11.9792
k = 0.5000-0.0000 0.3100 ( 3516 PWs) bands (ev):
-4.3979 -4.3979 -4.3969 -4.3969 -2.4319 -2.4319 -2.4292 -2.4292
3.4144 3.4144 3.4563 3.4563 5.1190 5.1190 5.1316 5.1316
6.2345 6.2345 6.3176 6.3176 6.3793 6.3793 6.3880 6.3880
7.4521 7.4521 7.4888 7.4888 8.2608 8.2608 8.2635 8.2635
8.7674 8.7674 8.8031 8.8031 9.5828 9.5828 9.6029 9.6029
10.4307 10.4307 10.4730 10.4730 12.0529 12.0529 12.0768 12.0768
k = 0.5000-0.0000 0.2989 ( 3532 PWs) bands (ev):
-4.3983 -4.3983 -4.3974 -4.3974 -2.4312 -2.4312 -2.4285 -2.4285
3.4155 3.4155 3.4574 3.4574 5.1180 5.1180 5.1309 5.1309
6.2275 6.2275 6.3060 6.3060 6.3926 6.3926 6.3966 6.3966
7.4437 7.4437 7.4801 7.4801 8.2621 8.2621 8.2646 8.2646
8.7722 8.7722 8.8078 8.8078 9.5827 9.5827 9.6028 9.6028
10.4322 10.4322 10.4744 10.4744 12.0524 12.0524 12.0763 12.0763
k = 0.5000-0.0000 0.2879 ( 3532 PWs) bands (ev):
-4.3996 -4.3996 -4.3987 -4.3987 -2.4290 -2.4290 -2.4264 -2.4264
3.4189 3.4189 3.4606 3.4606 5.1149 5.1149 5.1288 5.1288
6.2103 6.2103 6.2841 6.2841 6.4188 6.4188 6.4200 6.4200
7.4190 7.4190 7.4547 7.4547 8.2659 8.2659 8.2679 8.2679
8.7865 8.7865 8.8216 8.8216 9.5826 9.5826 9.6027 9.6027
10.4367 10.4367 10.4786 10.4786 12.0508 12.0508 12.0748 12.0748
k = 0.5000-0.0000 0.2768 ( 3530 PWs) bands (ev):
-4.4017 -4.4017 -4.4008 -4.4008 -2.4254 -2.4254 -2.4228 -2.4228
3.4247 3.4247 3.4660 3.4660 5.1099 5.1099 5.1253 5.1253
6.1881 6.1881 6.2608 6.2608 6.4489 6.4489 6.4521 6.4521
7.3797 7.3797 7.4143 7.4143 8.2718 8.2718 8.2731 8.2731
8.8088 8.8088 8.8433 8.8433 9.5825 9.5825 9.6026 9.6026
10.4443 10.4443 10.4856 10.4856 12.0482 12.0482 12.0724 12.0724
k = 0.5000-0.0000 0.2657 ( 3534 PWs) bands (ev):
-4.4046 -4.4046 -4.4037 -4.4037 -2.4205 -2.4205 -2.4179 -2.4179
3.4327 3.4327 3.4735 3.4735 5.1030 5.1030 5.1205 5.1205
6.1644 6.1644 6.2384 6.2384 6.4833 6.4833 6.4863 6.4863
7.3279 7.3279 7.3614 7.3614 8.2797 8.2797 8.2800 8.2800
8.8373 8.8373 8.8712 8.8712 9.5824 9.5824 9.6024 9.6024
10.4547 10.4547 10.4953 10.4953 12.0446 12.0446 12.0689 12.0689
k = 0.5000-0.0000 0.2546 ( 3540 PWs) bands (ev):
-4.4083 -4.4083 -4.4074 -4.4074 -2.4143 -2.4143 -2.4118 -2.4118
3.4430 3.4430 3.4831 3.4831 5.0944 5.0944 5.1145 5.1145
6.1406 6.1406 6.2174 6.2174 6.5198 6.5198 6.5215 6.5215
7.2665 7.2665 7.2986 7.2986 8.2884 8.2884 8.2891 8.2891
8.8703 8.8703 8.9033 8.9033 9.5821 9.5821 9.6021 9.6021
10.4680 10.4680 10.5077 10.5077 12.0399 12.0399 12.0644 12.0644
k = 0.5000-0.0000 0.2436 ( 3540 PWs) bands (ev):
-4.4127 -4.4127 -4.4119 -4.4119 -2.4069 -2.4069 -2.4044 -2.4044
3.4556 3.4556 3.4949 3.4949 5.0844 5.0844 5.1075 5.1075
6.1175 6.1175 6.1978 6.1978 6.5567 6.5567 6.5569 6.5569
7.1981 7.1981 7.2290 7.2290 8.2981 8.2981 8.3000 8.3000
8.9057 8.9057 8.9380 8.9380 9.5819 9.5819 9.6018 9.6018
10.4840 10.4840 10.5225 10.5225 12.0341 12.0341 12.0589 12.0589
k = 0.5000-0.0000 0.2325 ( 3540 PWs) bands (ev):
-4.4177 -4.4177 -4.4169 -4.4169 -2.3984 -2.3984 -2.3960 -2.3960
3.4704 3.4704 3.5088 3.5088 5.0731 5.0731 5.0997 5.0997
6.0952 6.0952 6.1797 6.1797 6.5903 6.5903 6.5928 6.5928
7.1261 7.1261 7.1556 7.1556 8.3092 8.3092 8.3123 8.3123
8.9422 8.9422 8.9736 8.9736 9.5816 9.5816 9.6015 9.6015
10.5025 10.5025 10.5397 10.5397 12.0272 12.0272 12.0525 12.0525
k = 0.5000-0.0000 0.2214 ( 3546 PWs) bands (ev):
-4.4233 -4.4233 -4.4225 -4.4225 -2.3890 -2.3890 -2.3866 -2.3866
3.4875 3.4875 3.5248 3.5248 5.0607 5.0607 5.0910 5.0910
6.0737 6.0737 6.1627 6.1627 6.6197 6.6197 6.6246 6.6246
7.0546 7.0546 7.0826 7.0826 8.3214 8.3214 8.3257 8.3257
8.9784 8.9784 9.0089 9.0089 9.5812 9.5812 9.6010 9.6010
10.5233 10.5233 10.5589 10.5589 12.0193 12.0193 12.0449 12.0449
k = 0.5000-0.0000 0.2104 ( 3550 PWs) bands (ev):
-4.4293 -4.4293 -4.4285 -4.4285 -2.3787 -2.3787 -2.3764 -2.3764
3.5067 3.5067 3.5427 3.5427 5.0476 5.0476 5.0819 5.0819
6.0527 6.0527 6.1467 6.1467 6.6400 6.6400 6.6469 6.6469
6.9904 6.9904 7.0161 7.0161 8.3348 8.3348 8.3403 8.3403
9.0134 9.0134 9.0431 9.0431 9.5808 9.5808 9.6004 9.6004
10.5463 10.5463 10.5801 10.5801 12.0102 12.0102 12.0364 12.0364
k = 0.5000-0.0000 0.1993 ( 3550 PWs) bands (ev):
-4.4357 -4.4357 -4.4350 -4.4350 -2.3677 -2.3677 -2.3655 -2.3655
3.5281 3.5281 3.5627 3.5627 5.0340 5.0340 5.0725 5.0725
6.0318 6.0318 6.1312 6.1312 6.6424 6.6424 6.6498 6.6498
6.9446 6.9446 6.9662 6.9662 8.3492 8.3492 8.3559 8.3559
9.0466 9.0466 9.0754 9.0754 9.5804 9.5804 9.5998 9.5998
10.5711 10.5711 10.6031 10.6031 11.9998 11.9998 12.0267 12.0267
k = 0.5000-0.0000 0.1882 ( 3550 PWs) bands (ev):
-4.4424 -4.4424 -4.4417 -4.4417 -2.3562 -2.3562 -2.3540 -2.3540
3.5515 3.5515 3.5846 3.5846 5.0202 5.0202 5.0631 5.0631
6.0102 6.0102 6.1156 6.1156 6.6173 6.6173 6.6235 6.6235
6.9282 6.9282 6.9435 6.9435 8.3646 8.3646 8.3725 8.3725
9.0776 9.0776 9.1055 9.1055 9.5799 9.5799 9.5990 9.5990
10.5976 10.5976 10.6277 10.6277 11.9882 11.9882 12.0158 12.0158
k = 0.5000-0.0000 0.1771 ( 3556 PWs) bands (ev):
-4.4493 -4.4493 -4.4486 -4.4486 -2.3442 -2.3442 -2.3422 -2.3422
3.5769 3.5769 3.6083 3.6083 5.0064 5.0064 5.0539 5.0539
5.9871 5.9871 6.0990 6.0990 6.5661 6.5661 6.5718 6.5718
6.9390 6.9390 6.9478 6.9478 8.3808 8.3808 8.3899 8.3899
9.1060 9.1060 9.1329 9.1329 9.5793 9.5793 9.5982 9.5982
10.6255 10.6255 10.6536 10.6536 11.9750 11.9750 12.0035 12.0035
k = 0.5000-0.0000 0.1661 ( 3560 PWs) bands (ev):
-4.4563 -4.4563 -4.4557 -4.4557 -2.3320 -2.3320 -2.3301 -2.3301
3.6042 3.6042 3.6338 3.6338 4.9930 4.9930 5.0451 5.0451
5.9613 5.9613 6.0803 6.0803 6.4999 6.4999 6.5075 6.5075
6.9654 6.9654 6.9696 6.9696 8.3978 8.3978 8.4080 8.4080
9.1318 9.1318 9.1577 9.1577 9.5787 9.5787 9.5972 9.5972
10.6546 10.6546 10.6806 10.6806 11.9600 11.9600 11.9894 11.9894
k = 0.5000-0.0000 0.1550 ( 3556 PWs) bands (ev):
-4.4633 -4.4633 -4.4627 -4.4627 -2.3198 -2.3198 -2.3179 -2.3179
3.6332 3.6332 3.6608 3.6608 4.9802 4.9802 5.0370 5.0370
5.9311 5.9311 6.0576 6.0576 6.4295 6.4295 6.4408 6.4408
6.9992 6.9992 7.0003 7.0003 8.4154 8.4154 8.4267 8.4267
9.1550 9.1550 9.1798 9.1798 9.5781 9.5781 9.5961 9.5961
10.6847 10.6847 10.7087 10.7087 11.9424 11.9424 11.9726 11.9726
k = 0.5000-0.0000 0.1439 ( 3552 PWs) bands (ev):
-4.4703 -4.4703 -4.4697 -4.4697 -2.3076 -2.3076 -2.3058 -2.3058
3.6638 3.6638 3.6892 3.6892 4.9683 4.9683 5.0300 5.0300
5.8948 5.8948 6.0281 6.0281 6.3624 6.3624 6.3779 6.3779
7.0350 7.0350 7.0361 7.0361 8.4335 8.4335 8.4456 8.4456
9.1755 9.1755 9.1992 9.1992 9.5775 9.5775 9.5949 9.5949
10.7156 10.7156 10.7376 10.7376 11.9214 11.9214 11.9516 11.9516
k = 0.5000-0.0000 0.1329 ( 3556 PWs) bands (ev):
-4.4771 -4.4771 -4.4766 -4.4766 -2.2956 -2.2956 -2.2940 -2.2940
3.6956 3.6956 3.7188 3.7188 4.9577 4.9577 5.0243 5.0243
5.8510 5.8510 5.9888 5.9888 6.3043 6.3043 6.3225 6.3225
7.0712 7.0712 7.0738 7.0738 8.4517 8.4517 8.4646 8.4646
9.1935 9.1935 9.2161 9.2161 9.5768 9.5768 9.5936 9.5936
10.7472 10.7472 10.7673 10.7673 11.8952 11.8952 11.9229 11.9229
k = 0.5000-0.0000 0.1218 ( 3564 PWs) bands (ev):
-4.4836 -4.4836 -4.4832 -4.4832 -2.2839 -2.2839 -2.2824 -2.2824
3.7285 3.7285 3.7493 3.7493 4.9485 4.9485 5.0201 5.0201
5.7990 5.7990 5.9379 5.9379 6.2585 6.2585 6.2765 6.2765
7.1075 7.1075 7.1111 7.1111 8.4701 8.4701 8.4835 8.4835
9.2092 9.2092 9.2305 9.2305 9.5762 9.5762 9.5921 9.5921
10.7795 10.7795 10.7977 10.7977 11.8617 11.8617 11.8831 11.8831
k = 0.5000-0.0000 0.1107 ( 3560 PWs) bands (ev):
-4.4899 -4.4899 -4.4894 -4.4894 -2.2728 -2.2728 -2.2714 -2.2714
3.7620 3.7620 3.7803 3.7803 4.9413 4.9413 5.0179 5.0179
5.7395 5.7395 5.8762 5.8762 6.2253 6.2253 6.2402 6.2402
7.1429 7.1429 7.1472 7.1472 8.4883 8.4883 8.5020 8.5020
9.2228 9.2228 9.2427 9.2427 9.5755 9.5755 9.5906 9.5906
10.8122 10.8122 10.8287 10.8287 11.8200 11.8200 11.8328 11.8328
k = 0.5000-0.0000 0.0996 ( 3560 PWs) bands (ev):
-4.4957 -4.4957 -4.4953 -4.4953 -2.2623 -2.2623 -2.2610 -2.2610
3.7956 3.7956 3.8114 3.8114 4.9363 4.9363 5.0179 5.0179
5.6743 5.6743 5.8072 5.8072 6.2019 6.2019 6.2126 6.2126
7.1768 7.1768 7.1815 7.1815 8.5061 8.5061 8.5198 8.5198
9.2344 9.2344 9.2529 9.2529 9.5749 9.5749 9.5890 9.5890
10.8455 10.8455 10.8604 10.8604 11.7709 11.7709 11.7760 11.7760
k = 0.5000-0.0000 0.0886 ( 3552 PWs) bands (ev):
-4.5011 -4.5011 -4.5008 -4.5008 -2.2525 -2.2525 -2.2514 -2.2514
3.8290 3.8290 3.8421 3.8421 4.9341 4.9341 5.0205 5.0205
5.6057 5.6057 5.7345 5.7345 6.1854 6.1854 6.1920 6.1920
7.2086 7.2086 7.2134 7.2134 8.5233 8.5233 8.5367 8.5367
9.2443 9.2443 9.2613 9.2613 9.5745 9.5745 9.5873 9.5873
10.8792 10.8792 10.8927 10.8927 11.7168 11.7168 11.7170 11.7170
k = 0.5000-0.0000 0.0775 ( 3548 PWs) bands (ev):
-4.5061 -4.5061 -4.5058 -4.5058 -2.2436 -2.2436 -2.2427 -2.2427
3.8613 3.8613 3.8719 3.8719 4.9349 4.9349 5.0258 5.0258
5.5358 5.5358 5.6608 5.6608 6.1736 6.1736 6.1768 6.1768
7.2378 7.2378 7.2425 7.2425 8.5395 8.5395 8.5523 8.5523
9.2526 9.2526 9.2679 9.2679 9.5740 9.5740 9.5856 9.5856
10.9134 10.9134 10.9255 10.9255 11.6575 11.6575 11.6611 11.6611
k = 0.5000-0.0000 0.0664 ( 3548 PWs) bands (ev):
-4.5104 -4.5104 -4.5102 -4.5102 -2.2357 -2.2357 -2.2349 -2.2349
3.8918 3.8918 3.9001 3.9001 4.9395 4.9395 5.0342 5.0342
5.4668 5.4668 5.5883 5.5883 6.1648 6.1648 6.1657 6.1657
7.2641 7.2641 7.2684 7.2684 8.5545 8.5545 8.5663 8.5663
9.2595 9.2595 9.2730 9.2730 9.5736 9.5736 9.5839 9.5839
10.9478 10.9478 10.9587 10.9587 11.5996 11.5996 11.6051 11.6051
k = 0.5000-0.0000 0.0554 ( 3548 PWs) bands (ev):
-4.5142 -4.5142 -4.5140 -4.5140 -2.2288 -2.2288 -2.2281 -2.2281
3.9198 3.9198 3.9260 3.9260 4.9481 4.9481 5.0456 5.0456
5.4007 5.4007 5.5185 5.5185 6.1577 6.1577 6.1583 6.1583
7.2869 7.2869 7.2908 7.2908 8.5680 8.5680 8.5785 8.5785
9.2652 9.2652 9.2768 9.2768 9.5735 9.5735 9.5822 9.5822
10.9823 10.9823 10.9921 10.9921 11.5443 11.5443 11.5508 11.5508
k = 0.5000-0.0000 0.0443 ( 3550 PWs) bands (ev):
-4.5173 -4.5173 -4.5171 -4.5171 -2.2231 -2.2231 -2.2225 -2.2225
3.9443 3.9443 3.9486 3.9486 4.9614 4.9614 5.0594 5.0594
5.3397 5.3397 5.4527 5.4527 6.1520 6.1520 6.1534 6.1534
7.3062 7.3062 7.3095 7.3095 8.5797 8.5797 8.5885 8.5885
9.2699 9.2699 9.2793 9.2793 9.5734 9.5734 9.5806 9.5806
11.0163 11.0163 11.0250 11.0250 11.4928 11.4928 11.4995 11.4995
k = 0.5000-0.0000 0.0332 ( 3546 PWs) bands (ev):
-4.5198 -4.5198 -4.5196 -4.5196 -2.2185 -2.2185 -2.2181 -2.2181
3.9645 3.9645 3.9673 3.9673 4.9794 4.9794 5.0735 5.0735
5.2874 5.2874 5.3919 5.3919 6.1482 6.1482 6.1498 6.1498
7.3216 7.3216 7.3241 7.3241 8.5894 8.5894 8.5964 8.5964
9.2737 9.2737 9.2809 9.2809 9.5736 9.5736 9.5791 9.5791
11.0488 11.0488 11.0562 11.0562 11.4467 11.4467 11.4530 11.4530
k = 0.5000-0.0000 0.0221 ( 3542 PWs) bands (ev):
-4.5215 -4.5215 -4.5214 -4.5214 -2.2152 -2.2152 -2.2149 -2.2149
3.9797 3.9797 3.9813 3.9813 5.0022 5.0022 5.0826 5.0826
5.2505 5.2505 5.3373 5.3373 6.1459 6.1459 6.1472 6.1472
7.3328 7.3328 7.3346 7.3346 8.5969 8.5969 8.6017 8.6017
9.2767 9.2767 9.2816 9.2816 9.5740 9.5740 9.5777 9.5777
11.0777 11.0777 11.0835 11.0835 11.4086 11.4086 11.4137 11.4137
k = 0.5000-0.0000 0.0111 ( 3550 PWs) bands (ev):
-4.5226 -4.5226 -4.5225 -4.5225 -2.2132 -2.2132 -2.2130 -2.2130
3.9891 3.9891 3.9898 3.9898 5.0288 5.0288 5.0773 5.0773
5.2392 5.2392 5.2908 5.2908 6.1448 6.1448 6.1455 6.1455
7.3398 7.3398 7.3407 7.3407 8.6020 8.6020 8.6044 8.6044
9.2789 9.2789 9.2814 9.2814 9.5745 9.5745 9.5764 9.5764
11.0994 11.0994 11.1027 11.1027 11.3826 11.3826 11.3857 11.3857
k = 0.5000-0.0000-0.0000 ( 3542 PWs) bands (ev):
-4.5230 -4.5230 -4.5229 -4.5229 -2.2125 -2.2125 -2.2124 -2.2124
3.9925 3.9925 3.9925 3.9925 5.0562 5.0562 5.0563 5.0563
5.2557 5.2557 5.2557 5.2557 6.1446 6.1446 6.1447 6.1447
7.3425 7.3425 7.3425 7.3425 8.6045 8.6045 8.6046 8.6046
9.2804 9.2804 9.2808 9.2808 9.5752 9.5752 9.5756 9.5756
11.1087 11.1087 11.1090 11.1090 11.3741 11.3741 11.3744 11.3744
k = 0.5000 0.3732-0.0000 ( 3536 PWs) bands (ev):
-4.1134 -4.1134 -4.1124 -4.1124 -2.7982 -2.7982 -2.7914 -2.7914
4.2715 4.2715 4.3494 4.3494 4.3586 4.3586 4.4394 4.4394
5.3614 5.3614 5.5312 5.5312 5.9248 5.9248 6.1065 6.1065
6.8548 6.8548 6.9020 6.9020 9.0927 9.0927 9.1467 9.1467
9.3665 9.3665 9.3907 9.3907 9.6115 9.6115 9.6283 9.6283
11.0540 11.0540 11.0728 11.0728 11.4693 11.4693 11.5915 11.5915
k = 0.5000 0.3732 0.0111 ( 3540 PWs) bands (ev):
-4.1131 -4.1131 -4.1121 -4.1121 -2.7984 -2.7984 -2.7916 -2.7916
4.2651 4.2651 4.3459 4.3459 4.3520 4.3520 4.4334 4.4334
5.3724 5.3724 5.5400 5.5400 5.9293 5.9293 6.1103 6.1103
6.8555 6.8555 6.9026 6.9026 9.0932 9.0932 9.1470 9.1470
9.3661 9.3661 9.3899 9.3899 9.6115 9.6115 9.6283 9.6283
11.0544 11.0544 11.0731 11.0731 11.4686 11.4686 11.5907 11.5907
k = 0.5000 0.3732 0.0221 ( 3540 PWs) bands (ev):
-4.1122 -4.1122 -4.1112 -4.1112 -2.7989 -2.7989 -2.7922 -2.7922
4.2468 4.2468 4.3323 4.3323 4.3353 4.3353 4.4166 4.4166
5.4041 5.4041 5.5659 5.5659 5.9426 5.9426 6.1216 6.1216
6.8576 6.8576 6.9046 6.9046 9.0949 9.0949 9.1481 9.1481
9.3648 9.3648 9.3876 9.3876 9.6113 9.6113 9.6282 9.6282
11.0557 11.0557 11.0741 11.0741 11.4665 11.4665 11.5881 11.5881
k = 0.5000 0.3732 0.0332 ( 3540 PWs) bands (ev):
-4.1107 -4.1107 -4.1097 -4.1097 -2.7999 -2.7999 -2.7932 -2.7932
4.2180 4.2180 4.3006 4.3006 4.3181 4.3181 4.3913 4.3913
5.4538 5.4538 5.6072 5.6072 5.9640 5.9640 6.1398 6.1398
6.8611 6.8611 6.9079 6.9079 9.0977 9.0977 9.1499 9.1499
9.3628 9.3628 9.3838 9.3838 9.6111 9.6111 9.6282 9.6282
11.0579 11.0579 11.0756 11.0756 11.4630 11.4630 11.5838 11.5838
k = 0.5000 0.3732 0.0443 ( 3544 PWs) bands (ev):
-4.1087 -4.1087 -4.1077 -4.1077 -2.8011 -2.8011 -2.7945 -2.7945
4.1809 4.1809 4.2589 4.2589 4.2947 4.2947 4.3597 4.3597
5.5179 5.5179 5.6620 5.6620 5.9927 5.9927 6.1643 6.1643
6.8660 6.8660 6.9125 6.9125 9.1015 9.1015 9.1522 9.1522
9.3601 9.3601 9.3784 9.3784 9.6108 9.6108 9.6282 9.6282
11.0610 11.0610 11.0779 11.0779 11.4581 11.4581 11.5777 11.5777
k = 0.5000 0.3732 0.0554 ( 3536 PWs) bands (ev):
-4.1060 -4.1060 -4.1050 -4.1050 -2.8028 -2.8028 -2.7963 -2.7963
4.1376 4.1376 4.2099 4.2099 4.2657 4.2657 4.3234 4.3234
5.5932 5.5932 5.7279 5.7279 6.0275 6.0275 6.1942 6.1942
6.8725 6.8725 6.9186 6.9186 9.1063 9.1063 9.1549 9.1549
9.3569 9.3569 9.3718 9.3718 9.6105 9.6105 9.6282 9.6282
11.0652 11.0652 11.0811 11.0811 11.4517 11.4517 11.5699 11.5699
k = 0.5000 0.3732 0.0664 ( 3536 PWs) bands (ev):
-4.1029 -4.1029 -4.1019 -4.1019 -2.8047 -2.8047 -2.7983 -2.7983
4.0901 4.0901 4.1563 4.1563 4.2321 4.2321 4.2830 4.2830
5.6771 5.6771 5.8030 5.8030 6.0672 6.0672 6.2285 6.2285
6.8804 6.8804 6.9260 6.9260 9.1118 9.1118 9.1576 9.1576
9.3534 9.3534 9.3639 9.3639 9.6101 9.6101 9.6282 9.6282
11.0707 11.0707 11.0852 11.0852 11.4440 11.4440 11.5603 11.5603
k = 0.5000 0.3732 0.0775 ( 3532 PWs) bands (ev):
-4.0992 -4.0992 -4.0983 -4.0983 -2.8070 -2.8070 -2.8007 -2.8007
4.0401 4.0401 4.1003 4.1003 4.1947 4.1947 4.2396 4.2396
5.7676 5.7676 5.8854 5.8854 6.1106 6.1106 6.2662 6.2662
6.8901 6.8901 6.9349 6.9349 9.1178 9.1178 9.1601 9.1601
9.3499 9.3499 9.3550 9.3550 9.6097 9.6097 9.6282 9.6282
11.0776 11.0776 11.0905 11.0905 11.4348 11.4348 11.5491 11.5491
k = 0.5000 0.3732 0.0886 ( 3532 PWs) bands (ev):
-4.0951 -4.0951 -4.0942 -4.0942 -2.8096 -2.8096 -2.8034 -2.8034
3.9889 3.9889 4.0435 4.0435 4.1544 4.1544 4.1937 4.1937
5.8629 5.8629 5.9734 5.9734 6.1567 6.1567 6.3063 6.3063
6.9015 6.9015 6.9452 6.9452 9.1239 9.1239 9.1617 9.1617
9.3454 9.3454 9.3469 9.3469 9.6092 9.6092 9.6281 9.6281
11.0860 11.0860 11.0971 11.0971 11.4243 11.4243 11.5361 11.5361
k = 0.5000 0.3732 0.0996 ( 3532 PWs) bands (ev):
-4.0905 -4.0905 -4.0897 -4.0897 -2.8124 -2.8124 -2.8064 -2.8064
3.9375 3.9375 3.9871 3.9871 4.1118 4.1118 4.1461 4.1461
5.9619 5.9619 6.0655 6.0655 6.2044 6.2044 6.3480 6.3480
6.9148 6.9148 6.9571 6.9571 9.1294 9.1294 9.1617 9.1617
9.3358 9.3358 9.3449 9.3449 9.6088 9.6088 9.6281 9.6281
11.0963 11.0963 11.1053 11.1053 11.4124 11.4124 11.5215 11.5215
k = 0.5000 0.3732 0.1107 ( 3532 PWs) bands (ev):
-4.0856 -4.0856 -4.0848 -4.0848 -2.8155 -2.8155 -2.8097 -2.8097
3.8868 3.8868 3.9318 3.9318 4.0678 4.0678 4.0976 4.0976
6.0632 6.0632 6.1603 6.1603 6.2530 6.2530 6.3907 6.3907
6.9300 6.9300 6.9706 6.9706 9.1334 9.1334 9.1595 9.1595
9.3270 9.3270 9.3447 9.3447 9.6083 9.6083 9.6281 9.6281
11.1087 11.1087 11.1154 11.1154 11.3993 11.3993 11.5053 11.5053
k = 0.5000 0.3732 0.1218 ( 3536 PWs) bands (ev):
-4.0804 -4.0804 -4.0796 -4.0796 -2.8188 -2.8188 -2.8132 -2.8132
3.8375 3.8375 3.8785 3.8785 4.0229 4.0229 4.0485 4.0485
6.1653 6.1653 6.2557 6.2557 6.3022 6.3022 6.4345 6.4345
6.9473 6.9473 6.9858 6.9858 9.1345 9.1345 9.1542 9.1542
9.3201 9.3201 9.3466 9.3466 9.6079 9.6079 9.6280 9.6280
11.1234 11.1234 11.1275 11.1275 11.3850 11.3850 11.4876 11.4876
k = 0.5000 0.3732 0.1329 ( 3536 PWs) bands (ev):
-4.0749 -4.0749 -4.0742 -4.0742 -2.8223 -2.8223 -2.8169 -2.8169
3.7900 3.7900 3.8274 3.8274 3.9777 3.9777 3.9996 3.9996
6.2653 6.2653 6.3482 6.3482 6.3536 6.3536 6.4814 6.4814
6.9669 6.9669 7.0028 7.0028 9.1314 9.1314 9.1453 9.1453
9.3165 9.3165 9.3513 9.3513 9.6074 9.6074 9.6280 9.6280
11.1407 11.1407 11.1420 11.1420 11.3696 11.3696 11.4685 11.4685
k = 0.5000 0.3732 0.1439 ( 3536 PWs) bands (ev):
-4.0692 -4.0692 -4.0685 -4.0685 -2.8259 -2.8259 -2.8208 -2.8208
3.7448 3.7448 3.7790 3.7790 3.9327 3.9327 3.9513 3.9513
6.3523 6.3523 6.4165 6.4165 6.4298 6.4298 6.5376 6.5376
6.9890 6.9890 7.0217 7.0217 9.1227 9.1227 9.1324 9.1324
9.3172 9.3172 9.3586 9.3586 9.6070 9.6070 9.6279 9.6279
11.1591 11.1591 11.1609 11.1609 11.3533 11.3533 11.4483 11.4483
k = 0.5000 0.3732 0.1550 ( 3548 PWs) bands (ev):
-4.0634 -4.0634 -4.0628 -4.0628 -2.8296 -2.8296 -2.8247 -2.8247
3.7023 3.7023 3.7336 3.7336 3.8884 3.8884 3.9039 3.9039
6.4118 6.4118 6.4904 6.4904 6.5040 6.5040 6.6116 6.6116
7.0137 7.0137 7.0427 7.0427 9.1079 9.1079 9.1155 9.1155
9.3225 9.3225 9.3683 9.3683 9.6067 9.6067 9.6278 9.6278
11.1789 11.1789 11.1842 11.1842 11.3364 11.3364 11.4272 11.4272
k = 0.5000 0.3732 0.1661 ( 3540 PWs) bands (ev):
-4.0576 -4.0576 -4.0570 -4.0570 -2.8333 -2.8333 -2.8288 -2.8288
3.6626 3.6626 3.6913 3.6913 3.8451 3.8451 3.8579 3.8579
6.4559 6.4559 6.5329 6.5329 6.6025 6.6025 6.6988 6.6988
7.0418 7.0418 7.0662 7.0662 9.0874 9.0874 9.0949 9.0949
9.3320 9.3320 9.3801 9.3801 9.6064 9.6064 9.6278 9.6278
11.2019 11.2019 11.2107 11.2107 11.3192 11.3192 11.4057 11.4057
k = 0.5000 0.3732 0.1771 ( 3540 PWs) bands (ev):
-4.0518 -4.0518 -4.0512 -4.0512 -2.8371 -2.8371 -2.8328 -2.8328
3.6259 3.6259 3.6524 3.6524 3.8032 3.8032 3.8135 3.8135
6.4937 6.4937 6.5657 6.5657 6.7012 6.7012 6.7885 6.7885
7.0743 7.0743 7.0930 7.0930 9.0618 9.0618 9.0707 9.0707
9.3447 9.3447 9.3935 9.3935 9.6063 9.6063 9.6277 9.6277
11.2275 11.2275 11.2397 11.2397 11.3030 11.3030 11.3844 11.3844
k = 0.5000 0.3732 0.1882 ( 3536 PWs) bands (ev):
-4.0460 -4.0460 -4.0455 -4.0455 -2.8408 -2.8408 -2.8368 -2.8368
3.5926 3.5926 3.6169 3.6169 3.7631 3.7631 3.7710 3.7710
6.5272 6.5272 6.5926 6.5926 6.7956 6.7956 6.8731 6.8731
7.1138 7.1138 7.1242 7.1242 9.0318 9.0318 9.0429 9.0429
9.3595 9.3595 9.4077 9.4077 9.6062 9.6062 9.6276 9.6276
11.2547 11.2547 11.2632 11.2632 11.2963 11.2963 11.3653 11.3653
k = 0.5000 0.3732 0.1993 ( 3536 PWs) bands (ev):
-4.0405 -4.0405 -4.0400 -4.0400 -2.8445 -2.8445 -2.8408 -2.8408
3.5626 3.5626 3.5849 3.5849 3.7249 3.7249 3.7308 3.7308
6.5570 6.5570 6.6154 6.6154 6.8818 6.8818 6.9464 6.9464
7.1625 7.1625 7.1639 7.1639 8.9982 8.9982 9.0121 9.0121
9.3757 9.3757 9.4224 9.4224 9.6062 9.6062 9.6275 9.6275
11.2575 11.2575 11.2781 11.2781 11.3233 11.3233 11.3540 11.3540
k = 0.5000 0.3732 0.2104 ( 3544 PWs) bands (ev):
-4.0352 -4.0352 -4.0347 -4.0347 -2.8479 -2.8479 -2.8445 -2.8445
3.5360 3.5360 3.5566 3.5566 3.6889 3.6889 3.6930 3.6930
6.5834 6.5834 6.6346 6.6346 6.9554 6.9554 7.0040 7.0040
7.2108 7.2108 7.2270 7.2270 8.9616 8.9616 8.9782 8.9782
9.3924 9.3924 9.4370 9.4370 9.6064 9.6064 9.6273 9.6273
11.2421 11.2421 11.2833 11.2833 11.3648 11.3648 11.3656 11.3656
k = 0.5000 0.3732 0.2214 ( 3536 PWs) bands (ev):
-4.0302 -4.0302 -4.0298 -4.0298 -2.8512 -2.8512 -2.8481 -2.8481
3.5130 3.5130 3.5318 3.5318 3.6554 3.6554 3.6578 3.6578
6.6066 6.6066 6.6509 6.6509 7.0132 7.0132 7.0467 7.0467
7.2711 7.2711 7.3007 7.3007 8.9227 8.9227 8.9420 8.9420
9.4092 9.4092 9.4510 9.4510 9.6068 9.6068 9.6271 9.6271
11.2262 11.2262 11.2709 11.2709 11.3999 11.3999 11.4119 11.4119
k = 0.5000 0.3732 0.2325 ( 3540 PWs) bands (ev):
-4.0255 -4.0255 -4.0252 -4.0252 -2.8542 -2.8542 -2.8515 -2.8515
3.4935 3.4935 3.5106 3.5106 3.6246 3.6246 3.6256 3.6256
6.6267 6.6267 6.6644 6.6644 7.0560 7.0560 7.0785 7.0785
7.3412 7.3412 7.3793 7.3793 8.8823 8.8823 8.9037 8.9037
9.4255 9.4255 9.4639 9.4639 9.6074 9.6074 9.6268 9.6268
11.2113 11.2113 11.2531 11.2531 11.4448 11.4448 11.4636 11.4636
k = 0.5000 0.3732 0.2436 ( 3536 PWs) bands (ev):
-4.0214 -4.0214 -4.0211 -4.0211 -2.8569 -2.8569 -2.8545 -2.8545
3.4775 3.4775 3.4929 3.4929 3.5964 3.5964 3.5967 3.5967
6.6440 6.6440 6.6755 6.6755 7.0875 7.0875 7.1030 7.1030
7.4159 7.4159 7.4574 7.4574 8.8414 8.8414 8.8642 8.8642
9.4408 9.4408 9.4754 9.4754 9.6084 9.6084 9.6264 9.6264
11.1977 11.1977 11.2349 11.2349 11.4959 11.4959 11.5193 11.5193
k = 0.5000 0.3732 0.2546 ( 3528 PWs) bands (ev):
-4.0178 -4.0178 -4.0175 -4.0175 -2.8592 -2.8592 -2.8572 -2.8572
3.4650 3.4650 3.4787 3.4787 3.5707 3.5707 3.5720 3.5720
6.6587 6.6587 6.6843 6.6843 7.1112 7.1112 7.1221 7.1221
7.4901 7.4901 7.5311 7.5311 8.8014 8.8014 8.8246 8.8246
9.4549 9.4549 9.4850 9.4850 9.6097 9.6097 9.6259 9.6259
11.1861 11.1861 11.2177 11.2177 11.5512 11.5512 11.5783 11.5783
k = 0.5000 0.3732 0.2657 ( 3536 PWs) bands (ev):
-4.0147 -4.0147 -4.0145 -4.0145 -2.8611 -2.8611 -2.8596 -2.8596
3.4559 3.4559 3.4677 3.4677 3.5487 3.5487 3.5507 3.5507
6.6709 6.6709 6.6910 6.6910 7.1291 7.1291 7.1369 7.1369
7.5595 7.5595 7.5969 7.5969 8.7641 8.7641 8.7862 8.7862
9.4674 9.4674 9.4924 9.4924 9.6112 9.6112 9.6251 9.6251
11.1767 11.1767 11.2023 11.2023 11.6097 11.6097 11.6392 11.6392
k = 0.5000 0.3732 0.2768 ( 3540 PWs) bands (ev):
-4.0123 -4.0123 -4.0121 -4.0121 -2.8626 -2.8626 -2.8614 -2.8614
3.4499 3.4499 3.4595 3.4595 3.5307 3.5307 3.5331 3.5331
6.6808 6.6808 6.6956 6.6956 7.1424 7.1424 7.1479 7.1479
7.6204 7.6204 7.6517 7.6517 8.7319 8.7319 8.7511 8.7511
9.4781 9.4781 9.4975 9.4975 9.6130 9.6130 9.6240 9.6240
11.1698 11.1698 11.1892 11.1892 11.6695 11.6695 11.6999 11.6999
k = 0.5000 0.3732 0.2879 ( 3540 PWs) bands (ev):
-4.0105 -4.0105 -4.0104 -4.0104 -2.8636 -2.8636 -2.8629 -2.8629
3.4468 3.4468 3.4538 3.4538 3.5175 3.5175 3.5197 3.5197
6.6884 6.6884 6.6982 6.6982 7.1519 7.1519 7.1554 7.1554
7.6694 7.6694 7.6921 7.6921 8.7074 8.7074 8.7218 8.7218
9.4868 9.4868 9.5001 9.5001 9.6151 9.6151 9.6227 9.6227
11.1656 11.1656 11.1786 11.1786 11.7275 11.7275 11.7556 11.7556
k = 0.5000 0.3732 0.2989 ( 3544 PWs) bands (ev):
-4.0094 -4.0094 -4.0094 -4.0094 -2.8642 -2.8642 -2.8638 -2.8638
3.4461 3.4461 3.4498 3.4498 3.5095 3.5095 3.5109 3.5109
6.6939 6.6939 6.6987 6.6987 7.1578 7.1578 7.1595 7.1595
7.7032 7.7032 7.7151 7.7151 8.6931 8.6931 8.7008 8.7008
9.4935 9.4935 9.5003 9.5003 9.6172 9.6172 9.6211 9.6211
11.1643 11.1643 11.1709 11.1709 11.7771 11.7771 11.7961 11.7961
k = 0.5000 0.3732 0.3100 ( 3536 PWs) bands (ev):
-4.0091 -4.0091 -4.0090 -4.0090 -2.8643 -2.8643 -2.8642 -2.8642
3.4472 3.4472 3.4473 3.4473 3.5073 3.5073 3.5073 3.5073
6.6973 6.6973 6.6974 6.6974 7.1603 7.1603 7.1604 7.1604
7.7189 7.7189 7.7189 7.7189 8.6907 8.6907 8.6910 8.6910
9.4979 9.4979 9.4983 9.4983 9.6191 9.6191 9.6195 9.6195
11.1660 11.1660 11.1662 11.1662 11.8048 11.8048 11.8050 11.8050
Writing output data file FeSe2.save
init_run : 0.13s CPU 0.30s WALL ( 1 calls)
electrons : 142.88s CPU 145.58s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.01s CPU 0.04s WALL ( 1 calls)
Called by electrons:
c_bands : 142.88s CPU 145.57s 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 : 0.03s CPU 0.04s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.03s CPU 0.05s WALL ( 432 calls)
cegterg : 128.42s CPU 130.37s WALL ( 436 calls)
Called by sum_band:
Called by *egterg:
h_psi : 71.62s CPU 73.11s WALL ( 7577 calls)
s_psi : 4.20s CPU 4.09s WALL ( 7577 calls)
g_psi : 0.25s CPU 0.24s WALL ( 6709 calls)
cdiaghg : 49.57s CPU 50.19s WALL ( 7141 calls)
cegterg:over : 5.08s CPU 5.39s WALL ( 6709 calls)
cegterg:upda : 4.23s CPU 4.20s WALL ( 6709 calls)
cegterg:last : 2.40s CPU 2.46s WALL ( 1311 calls)
cdiaghg:chol : 2.60s CPU 2.78s WALL ( 7141 calls)
cdiaghg:inve : 1.94s CPU 1.87s WALL ( 7141 calls)
cdiaghg:para : 2.92s CPU 2.97s WALL ( 14282 calls)
Called by h_psi:
h_psi:vloc : 61.66s CPU 63.00s WALL ( 7577 calls)
h_psi:vnl : 9.75s CPU 9.89s WALL ( 7577 calls)
add_vuspsi : 4.65s CPU 4.87s WALL ( 7577 calls)
General routines
calbec : 5.08s CPU 5.00s WALL ( 7577 calls)
fft : 0.00s CPU 0.00s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 58.13s CPU 59.57s WALL ( 884528 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.13s CPU 0.24s WALL ( 864 calls)
Parallel routines
fft_scatter : 23.36s CPU 24.06s WALL ( 884551 calls)
PWSCF : 2m40.70s CPU 2m57.35s WALL
This run was terminated on: 18:20: 6 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=