Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:10
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:
./Cs.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 46 46 13 2153 2153 329
Max 48 48 14 2156 2156 336
Sum 1671 1671 479 77561 77561 11931
bravais-lattice index = 14
lattice parameter (alat) = 6.1473 a.u.
unit-cell volume = 803.6585 (a.u.)^3
number of atoms/cell = 4
number of atomic types = 1
number of electrons = 36.00
number of Kohn-Sham states= 44
kinetic-energy cutoff = 80.0000 Ry
charge density cutoff = 320.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 6.147279 celldm(2)= 1.729788 celldm(3)= 2.000000
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 1.729788 0.000000 )
a(3) = ( 0.000000 0.000000 2.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 0.578106 -0.000000 )
b(3) = ( 0.000000 0.000000 0.500000 )
PseudoPot. # 1 for Cs read from file:
/users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF
MD5 check sum: b26d75608c6aa7e713949ad9f7a49707
Pseudo is Norm-conserving, Zval = 9.0
Generated using ONCVPSP code by D. R. Hamann
Using radial grid of 2414 points, 14 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
l(11) = 3
l(12) = 3
l(13) = 3
l(14) = 3
atomic species valence mass pseudopotential
Cs 9.00 132.90550 Cs( 1.00)
8 Sym. Ops., with inversion, found ( 6 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.5000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.8648939 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( -0.5000000 )
( 0 0 -1 ) ( 0.0000000 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( -0.8648939 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( 0.5000000 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 )
isym = 5 inversion
cryst. s( 5) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( -0.5000000 )
( 0 0 -1 ) ( 0.5000000 )
cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( -0.8648939 )
( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( -0.5000000 )
( 0 0 1 ) ( 0.0000000 )
cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( -0.8648939 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.0000000 )
double point group D_2h (mmm)
there are 10 classes and 2 irreducible representations
the character table:
E -E C2 C2' C2'' i -i s_v s_v' s_v''
-C2 -C2' -C2'' -s_v -s_v' -s_v'
G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00
G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
C2 -C2 2 -2
180 deg rotation - cart. axis [0,0,1]
C2' -C2' 3 -3
180 deg rotation - cart. axis [0,1,0]
C2'' -C2'' 4 -4
180 deg rotation - cart. axis [1,0,0]
i 5
inversion
-i -5
inversion E
s_v -s_v 6 -6
inv. 180 deg rotation - cart. axis [0,0,1]
s_v'-s_v' 7 -7
inv. 180 deg rotation - cart. axis [0,1,0]
s_v''-s_v' 8 -8
inv. 180 deg rotation - cart. axis [1,0,0]
Cartesian axes
number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0023810
k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0023810
k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0023810
k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0023810
k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0023810
k( 7) = ( 0.0612245 -0.0000000 -0.0000000), wk = 0.0023810
k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0023810
k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0023810
k( 10) = ( 0.0918367 -0.0000000 -0.0000000), wk = 0.0023810
k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0023810
k( 12) = ( 0.1122449 -0.0000000 -0.0000000), wk = 0.0023810
k( 13) = ( 0.1224490 -0.0000000 -0.0000000), wk = 0.0023810
k( 14) = ( 0.1326531 -0.0000000 -0.0000000), wk = 0.0023810
k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0023810
k( 16) = ( 0.1530612 -0.0000000 -0.0000000), wk = 0.0023810
k( 17) = ( 0.1632653 -0.0000000 -0.0000000), wk = 0.0023810
k( 18) = ( 0.1734694 -0.0000000 -0.0000000), wk = 0.0023810
k( 19) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0023810
k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0023810
k( 21) = ( 0.2040816 -0.0000000 -0.0000000), wk = 0.0023810
k( 22) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0023810
k( 23) = ( 0.2244898 -0.0000000 -0.0000000), wk = 0.0023810
k( 24) = ( 0.2346939 -0.0000000 -0.0000000), wk = 0.0023810
k( 25) = ( 0.2448980 -0.0000000 -0.0000000), wk = 0.0023810
k( 26) = ( 0.2551020 -0.0000000 -0.0000000), wk = 0.0023810
k( 27) = ( 0.2653061 -0.0000000 -0.0000000), wk = 0.0023810
k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0023810
k( 29) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0023810
k( 30) = ( 0.2959184 -0.0000000 -0.0000000), wk = 0.0023810
k( 31) = ( 0.3061224 -0.0000000 -0.0000000), wk = 0.0023810
k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0023810
k( 33) = ( 0.3265306 -0.0000000 -0.0000000), wk = 0.0023810
k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0023810
k( 35) = ( 0.3469388 -0.0000000 -0.0000000), wk = 0.0023810
k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0023810
k( 37) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0023810
k( 38) = ( 0.3775510 -0.0000000 -0.0000000), wk = 0.0023810
k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0023810
k( 40) = ( 0.3979592 -0.0000000 -0.0000000), wk = 0.0023810
k( 41) = ( 0.4081633 -0.0000000 -0.0000000), wk = 0.0023810
k( 42) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0023810
k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0023810
k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0023810
k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0023810
k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0023810
k( 47) = ( 0.4693878 -0.0000000 -0.0000000), wk = 0.0023810
k( 48) = ( 0.4795918 -0.0000000 -0.0000000), wk = 0.0023810
k( 49) = ( 0.4897959 -0.0000000 -0.0000000), wk = 0.0023810
k( 50) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810
k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810
k( 52) = ( 0.5000000 0.0103233 -0.0000000), wk = 0.0023810
k( 53) = ( 0.5000000 0.0206466 -0.0000000), wk = 0.0023810
k( 54) = ( 0.5000000 0.0309699 -0.0000000), wk = 0.0023810
k( 55) = ( 0.5000000 0.0412933 -0.0000000), wk = 0.0023810
k( 56) = ( 0.5000000 0.0516166 -0.0000000), wk = 0.0023810
k( 57) = ( 0.5000000 0.0619399 -0.0000000), wk = 0.0023810
k( 58) = ( 0.5000000 0.0722632 -0.0000000), wk = 0.0023810
k( 59) = ( 0.5000000 0.0825865 -0.0000000), wk = 0.0023810
k( 60) = ( 0.5000000 0.0929098 -0.0000000), wk = 0.0023810
k( 61) = ( 0.5000000 0.1032331 -0.0000000), wk = 0.0023810
k( 62) = ( 0.5000000 0.1135564 -0.0000000), wk = 0.0023810
k( 63) = ( 0.5000000 0.1238798 -0.0000000), wk = 0.0023810
k( 64) = ( 0.5000000 0.1342031 -0.0000000), wk = 0.0023810
k( 65) = ( 0.5000000 0.1445264 -0.0000000), wk = 0.0023810
k( 66) = ( 0.5000000 0.1548497 -0.0000000), wk = 0.0023810
k( 67) = ( 0.5000000 0.1651730 -0.0000000), wk = 0.0023810
k( 68) = ( 0.5000000 0.1754963 -0.0000000), wk = 0.0023810
k( 69) = ( 0.5000000 0.1858196 -0.0000000), wk = 0.0023810
k( 70) = ( 0.5000000 0.1961430 -0.0000000), wk = 0.0023810
k( 71) = ( 0.5000000 0.2064663 -0.0000000), wk = 0.0023810
k( 72) = ( 0.5000000 0.2167896 -0.0000000), wk = 0.0023810
k( 73) = ( 0.5000000 0.2271129 -0.0000000), wk = 0.0023810
k( 74) = ( 0.5000000 0.2374362 -0.0000000), wk = 0.0023810
k( 75) = ( 0.5000000 0.2477595 -0.0000000), wk = 0.0023810
k( 76) = ( 0.5000000 0.2580828 -0.0000000), wk = 0.0023810
k( 77) = ( 0.5000000 0.2684062 -0.0000000), wk = 0.0023810
k( 78) = ( 0.5000000 0.2787295 -0.0000000), wk = 0.0023810
k( 79) = ( 0.5000000 0.2890528 -0.0000000), wk = 0.0023810
k( 80) = ( 0.5000000 0.2890528 -0.0000000), wk = 0.0023810
k( 81) = ( 0.4897959 0.2890528 -0.0000000), wk = 0.0023810
k( 82) = ( 0.4795918 0.2890528 -0.0000000), wk = 0.0023810
k( 83) = ( 0.4693878 0.2890528 -0.0000000), wk = 0.0023810
k( 84) = ( 0.4591837 0.2890528 -0.0000000), wk = 0.0023810
k( 85) = ( 0.4489796 0.2890528 -0.0000000), wk = 0.0023810
k( 86) = ( 0.4387755 0.2890528 -0.0000000), wk = 0.0023810
k( 87) = ( 0.4285714 0.2890528 -0.0000000), wk = 0.0023810
k( 88) = ( 0.4183674 0.2890528 -0.0000000), wk = 0.0023810
k( 89) = ( 0.4081633 0.2890528 -0.0000000), wk = 0.0023810
k( 90) = ( 0.3979592 0.2890528 -0.0000000), wk = 0.0023810
k( 91) = ( 0.3877551 0.2890528 -0.0000000), wk = 0.0023810
k( 92) = ( 0.3775510 0.2890528 -0.0000000), wk = 0.0023810
k( 93) = ( 0.3673469 0.2890528 -0.0000000), wk = 0.0023810
k( 94) = ( 0.3571429 0.2890528 -0.0000000), wk = 0.0023810
k( 95) = ( 0.3469388 0.2890528 -0.0000000), wk = 0.0023810
k( 96) = ( 0.3367347 0.2890528 -0.0000000), wk = 0.0023810
k( 97) = ( 0.3265306 0.2890528 -0.0000000), wk = 0.0023810
k( 98) = ( 0.3163265 0.2890528 -0.0000000), wk = 0.0023810
k( 99) = ( 0.3061224 0.2890528 -0.0000000), wk = 0.0023810
k( 100) = ( 0.2959184 0.2890528 -0.0000000), wk = 0.0023810
k( 101) = ( 0.2857143 0.2890528 -0.0000000), wk = 0.0023810
k( 102) = ( 0.2755102 0.2890528 -0.0000000), wk = 0.0023810
k( 103) = ( 0.2653061 0.2890528 -0.0000000), wk = 0.0023810
k( 104) = ( 0.2551020 0.2890528 -0.0000000), wk = 0.0023810
k( 105) = ( 0.2448980 0.2890528 -0.0000000), wk = 0.0023810
k( 106) = ( 0.2346939 0.2890528 -0.0000000), wk = 0.0023810
k( 107) = ( 0.2244898 0.2890528 -0.0000000), wk = 0.0023810
k( 108) = ( 0.2142857 0.2890528 -0.0000000), wk = 0.0023810
k( 109) = ( 0.2040816 0.2890528 -0.0000000), wk = 0.0023810
k( 110) = ( 0.1938776 0.2890528 -0.0000000), wk = 0.0023810
k( 111) = ( 0.1836735 0.2890528 -0.0000000), wk = 0.0023810
k( 112) = ( 0.1734694 0.2890528 -0.0000000), wk = 0.0023810
k( 113) = ( 0.1632653 0.2890528 -0.0000000), wk = 0.0023810
k( 114) = ( 0.1530612 0.2890528 -0.0000000), wk = 0.0023810
k( 115) = ( 0.1428571 0.2890528 -0.0000000), wk = 0.0023810
k( 116) = ( 0.1326531 0.2890528 -0.0000000), wk = 0.0023810
k( 117) = ( 0.1224490 0.2890528 -0.0000000), wk = 0.0023810
k( 118) = ( 0.1122449 0.2890528 -0.0000000), wk = 0.0023810
k( 119) = ( 0.1020408 0.2890528 -0.0000000), wk = 0.0023810
k( 120) = ( 0.0918367 0.2890528 -0.0000000), wk = 0.0023810
k( 121) = ( 0.0816327 0.2890528 -0.0000000), wk = 0.0023810
k( 122) = ( 0.0714286 0.2890528 -0.0000000), wk = 0.0023810
k( 123) = ( 0.0612245 0.2890528 -0.0000000), wk = 0.0023810
k( 124) = ( 0.0510204 0.2890528 -0.0000000), wk = 0.0023810
k( 125) = ( 0.0408163 0.2890528 -0.0000000), wk = 0.0023810
k( 126) = ( 0.0306122 0.2890528 -0.0000000), wk = 0.0023810
k( 127) = ( 0.0204082 0.2890528 -0.0000000), wk = 0.0023810
k( 128) = ( 0.0102041 0.2890528 -0.0000000), wk = 0.0023810
k( 129) = ( 0.0000000 0.2890528 -0.0000000), wk = 0.0023810
k( 130) = ( 0.0000000 0.2890528 -0.0000000), wk = 0.0023810
k( 131) = ( 0.0000000 0.2787295 -0.0000000), wk = 0.0023810
k( 132) = ( 0.0000000 0.2684062 -0.0000000), wk = 0.0023810
k( 133) = ( 0.0000000 0.2580828 -0.0000000), wk = 0.0023810
k( 134) = ( 0.0000000 0.2477595 -0.0000000), wk = 0.0023810
k( 135) = ( 0.0000000 0.2374362 -0.0000000), wk = 0.0023810
k( 136) = ( 0.0000000 0.2271129 -0.0000000), wk = 0.0023810
k( 137) = ( 0.0000000 0.2167896 -0.0000000), wk = 0.0023810
k( 138) = ( 0.0000000 0.2064663 -0.0000000), wk = 0.0023810
k( 139) = ( 0.0000000 0.1961430 -0.0000000), wk = 0.0023810
k( 140) = ( 0.0000000 0.1858196 -0.0000000), wk = 0.0023810
k( 141) = ( 0.0000000 0.1754963 -0.0000000), wk = 0.0023810
k( 142) = ( 0.0000000 0.1651730 -0.0000000), wk = 0.0023810
k( 143) = ( 0.0000000 0.1548497 -0.0000000), wk = 0.0023810
k( 144) = ( 0.0000000 0.1445264 -0.0000000), wk = 0.0023810
k( 145) = ( 0.0000000 0.1342031 -0.0000000), wk = 0.0023810
k( 146) = ( 0.0000000 0.1238798 -0.0000000), wk = 0.0023810
k( 147) = ( 0.0000000 0.1135564 -0.0000000), wk = 0.0023810
k( 148) = ( 0.0000000 0.1032331 -0.0000000), wk = 0.0023810
k( 149) = ( 0.0000000 0.0929098 -0.0000000), wk = 0.0023810
k( 150) = ( 0.0000000 0.0825865 -0.0000000), wk = 0.0023810
k( 151) = ( 0.0000000 0.0722632 -0.0000000), wk = 0.0023810
k( 152) = ( 0.0000000 0.0619399 -0.0000000), wk = 0.0023810
k( 153) = ( 0.0000000 0.0516166 -0.0000000), wk = 0.0023810
k( 154) = ( 0.0000000 0.0412933 -0.0000000), wk = 0.0023810
k( 155) = ( 0.0000000 0.0309699 -0.0000000), wk = 0.0023810
k( 156) = ( 0.0000000 0.0206466 -0.0000000), wk = 0.0023810
k( 157) = ( 0.0000000 0.0103233 -0.0000000), wk = 0.0023810
k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 160) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0023810
k( 161) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023810
k( 162) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0023810
k( 163) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023810
k( 164) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0023810
k( 165) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023810
k( 166) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0023810
k( 167) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023810
k( 168) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0023810
k( 169) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023810
k( 170) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0023810
k( 171) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023810
k( 172) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0023810
k( 173) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023810
k( 174) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0023810
k( 175) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023810
k( 176) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0023810
k( 177) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023810
k( 178) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0023810
k( 179) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023810
k( 180) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0023810
k( 181) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023810
k( 182) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0023810
k( 183) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023810
k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023810
k( 185) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023810
k( 186) = ( 0.0102041 -0.0000000 0.2500000), wk = 0.0023810
k( 187) = ( 0.0204082 -0.0000000 0.2500000), wk = 0.0023810
k( 188) = ( 0.0306122 -0.0000000 0.2500000), wk = 0.0023810
k( 189) = ( 0.0408163 -0.0000000 0.2500000), wk = 0.0023810
k( 190) = ( 0.0510204 -0.0000000 0.2500000), wk = 0.0023810
k( 191) = ( 0.0612245 -0.0000000 0.2500000), wk = 0.0023810
k( 192) = ( 0.0714286 -0.0000000 0.2500000), wk = 0.0023810
k( 193) = ( 0.0816327 -0.0000000 0.2500000), wk = 0.0023810
k( 194) = ( 0.0918367 -0.0000000 0.2500000), wk = 0.0023810
k( 195) = ( 0.1020408 -0.0000000 0.2500000), wk = 0.0023810
k( 196) = ( 0.1122449 -0.0000000 0.2500000), wk = 0.0023810
k( 197) = ( 0.1224490 -0.0000000 0.2500000), wk = 0.0023810
k( 198) = ( 0.1326531 -0.0000000 0.2500000), wk = 0.0023810
k( 199) = ( 0.1428571 -0.0000000 0.2500000), wk = 0.0023810
k( 200) = ( 0.1530612 -0.0000000 0.2500000), wk = 0.0023810
k( 201) = ( 0.1632653 -0.0000000 0.2500000), wk = 0.0023810
k( 202) = ( 0.1734694 -0.0000000 0.2500000), wk = 0.0023810
k( 203) = ( 0.1836735 -0.0000000 0.2500000), wk = 0.0023810
k( 204) = ( 0.1938776 -0.0000000 0.2500000), wk = 0.0023810
k( 205) = ( 0.2040816 -0.0000000 0.2500000), wk = 0.0023810
k( 206) = ( 0.2142857 -0.0000000 0.2500000), wk = 0.0023810
k( 207) = ( 0.2244898 -0.0000000 0.2500000), wk = 0.0023810
k( 208) = ( 0.2346939 -0.0000000 0.2500000), wk = 0.0023810
k( 209) = ( 0.2448980 -0.0000000 0.2500000), wk = 0.0023810
k( 210) = ( 0.2551020 -0.0000000 0.2500000), wk = 0.0023810
k( 211) = ( 0.2653061 -0.0000000 0.2500000), wk = 0.0023810
k( 212) = ( 0.2755102 -0.0000000 0.2500000), wk = 0.0023810
k( 213) = ( 0.2857143 -0.0000000 0.2500000), wk = 0.0023810
k( 214) = ( 0.2959184 -0.0000000 0.2500000), wk = 0.0023810
k( 215) = ( 0.3061224 -0.0000000 0.2500000), wk = 0.0023810
k( 216) = ( 0.3163265 -0.0000000 0.2500000), wk = 0.0023810
k( 217) = ( 0.3265306 -0.0000000 0.2500000), wk = 0.0023810
k( 218) = ( 0.3367347 -0.0000000 0.2500000), wk = 0.0023810
k( 219) = ( 0.3469388 -0.0000000 0.2500000), wk = 0.0023810
k( 220) = ( 0.3571429 -0.0000000 0.2500000), wk = 0.0023810
k( 221) = ( 0.3673469 -0.0000000 0.2500000), wk = 0.0023810
k( 222) = ( 0.3775510 -0.0000000 0.2500000), wk = 0.0023810
k( 223) = ( 0.3877551 -0.0000000 0.2500000), wk = 0.0023810
k( 224) = ( 0.3979592 -0.0000000 0.2500000), wk = 0.0023810
k( 225) = ( 0.4081633 -0.0000000 0.2500000), wk = 0.0023810
k( 226) = ( 0.4183674 -0.0000000 0.2500000), wk = 0.0023810
k( 227) = ( 0.4285714 -0.0000000 0.2500000), wk = 0.0023810
k( 228) = ( 0.4387755 -0.0000000 0.2500000), wk = 0.0023810
k( 229) = ( 0.4489796 -0.0000000 0.2500000), wk = 0.0023810
k( 230) = ( 0.4591837 -0.0000000 0.2500000), wk = 0.0023810
k( 231) = ( 0.4693878 -0.0000000 0.2500000), wk = 0.0023810
k( 232) = ( 0.4795918 -0.0000000 0.2500000), wk = 0.0023810
k( 233) = ( 0.4897959 -0.0000000 0.2500000), wk = 0.0023810
k( 234) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0023810
k( 235) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0023810
k( 236) = ( 0.5000000 0.0103233 0.2500000), wk = 0.0023810
k( 237) = ( 0.5000000 0.0206466 0.2500000), wk = 0.0023810
k( 238) = ( 0.5000000 0.0309699 0.2500000), wk = 0.0023810
k( 239) = ( 0.5000000 0.0412933 0.2500000), wk = 0.0023810
k( 240) = ( 0.5000000 0.0516166 0.2500000), wk = 0.0023810
k( 241) = ( 0.5000000 0.0619399 0.2500000), wk = 0.0023810
k( 242) = ( 0.5000000 0.0722632 0.2500000), wk = 0.0023810
k( 243) = ( 0.5000000 0.0825865 0.2500000), wk = 0.0023810
k( 244) = ( 0.5000000 0.0929098 0.2500000), wk = 0.0023810
k( 245) = ( 0.5000000 0.1032331 0.2500000), wk = 0.0023810
k( 246) = ( 0.5000000 0.1135564 0.2500000), wk = 0.0023810
k( 247) = ( 0.5000000 0.1238798 0.2500000), wk = 0.0023810
k( 248) = ( 0.5000000 0.1342031 0.2500000), wk = 0.0023810
k( 249) = ( 0.5000000 0.1445264 0.2500000), wk = 0.0023810
k( 250) = ( 0.5000000 0.1548497 0.2500000), wk = 0.0023810
k( 251) = ( 0.5000000 0.1651730 0.2500000), wk = 0.0023810
k( 252) = ( 0.5000000 0.1754963 0.2500000), wk = 0.0023810
k( 253) = ( 0.5000000 0.1858196 0.2500000), wk = 0.0023810
k( 254) = ( 0.5000000 0.1961430 0.2500000), wk = 0.0023810
k( 255) = ( 0.5000000 0.2064663 0.2500000), wk = 0.0023810
k( 256) = ( 0.5000000 0.2167896 0.2500000), wk = 0.0023810
k( 257) = ( 0.5000000 0.2271129 0.2500000), wk = 0.0023810
k( 258) = ( 0.5000000 0.2374362 0.2500000), wk = 0.0023810
k( 259) = ( 0.5000000 0.2477595 0.2500000), wk = 0.0023810
k( 260) = ( 0.5000000 0.2580828 0.2500000), wk = 0.0023810
k( 261) = ( 0.5000000 0.2684062 0.2500000), wk = 0.0023810
k( 262) = ( 0.5000000 0.2787295 0.2500000), wk = 0.0023810
k( 263) = ( 0.5000000 0.2890528 0.2500000), wk = 0.0023810
k( 264) = ( 0.5000000 0.2890528 0.2500000), wk = 0.0023810
k( 265) = ( 0.4897959 0.2890528 0.2500000), wk = 0.0023810
k( 266) = ( 0.4795918 0.2890528 0.2500000), wk = 0.0023810
k( 267) = ( 0.4693878 0.2890528 0.2500000), wk = 0.0023810
k( 268) = ( 0.4591837 0.2890528 0.2500000), wk = 0.0023810
k( 269) = ( 0.4489796 0.2890528 0.2500000), wk = 0.0023810
k( 270) = ( 0.4387755 0.2890528 0.2500000), wk = 0.0023810
k( 271) = ( 0.4285714 0.2890528 0.2500000), wk = 0.0023810
k( 272) = ( 0.4183674 0.2890528 0.2500000), wk = 0.0023810
k( 273) = ( 0.4081633 0.2890528 0.2500000), wk = 0.0023810
k( 274) = ( 0.3979592 0.2890528 0.2500000), wk = 0.0023810
k( 275) = ( 0.3877551 0.2890528 0.2500000), wk = 0.0023810
k( 276) = ( 0.3775510 0.2890528 0.2500000), wk = 0.0023810
k( 277) = ( 0.3673469 0.2890528 0.2500000), wk = 0.0023810
k( 278) = ( 0.3571429 0.2890528 0.2500000), wk = 0.0023810
k( 279) = ( 0.3469388 0.2890528 0.2500000), wk = 0.0023810
k( 280) = ( 0.3367347 0.2890528 0.2500000), wk = 0.0023810
k( 281) = ( 0.3265306 0.2890528 0.2500000), wk = 0.0023810
k( 282) = ( 0.3163265 0.2890528 0.2500000), wk = 0.0023810
k( 283) = ( 0.3061224 0.2890528 0.2500000), wk = 0.0023810
k( 284) = ( 0.2959184 0.2890528 0.2500000), wk = 0.0023810
k( 285) = ( 0.2857143 0.2890528 0.2500000), wk = 0.0023810
k( 286) = ( 0.2755102 0.2890528 0.2500000), wk = 0.0023810
k( 287) = ( 0.2653061 0.2890528 0.2500000), wk = 0.0023810
k( 288) = ( 0.2551020 0.2890528 0.2500000), wk = 0.0023810
k( 289) = ( 0.2448980 0.2890528 0.2500000), wk = 0.0023810
k( 290) = ( 0.2346939 0.2890528 0.2500000), wk = 0.0023810
k( 291) = ( 0.2244898 0.2890528 0.2500000), wk = 0.0023810
k( 292) = ( 0.2142857 0.2890528 0.2500000), wk = 0.0023810
k( 293) = ( 0.2040816 0.2890528 0.2500000), wk = 0.0023810
k( 294) = ( 0.1938776 0.2890528 0.2500000), wk = 0.0023810
k( 295) = ( 0.1836735 0.2890528 0.2500000), wk = 0.0023810
k( 296) = ( 0.1734694 0.2890528 0.2500000), wk = 0.0023810
k( 297) = ( 0.1632653 0.2890528 0.2500000), wk = 0.0023810
k( 298) = ( 0.1530612 0.2890528 0.2500000), wk = 0.0023810
k( 299) = ( 0.1428571 0.2890528 0.2500000), wk = 0.0023810
k( 300) = ( 0.1326531 0.2890528 0.2500000), wk = 0.0023810
k( 301) = ( 0.1224490 0.2890528 0.2500000), wk = 0.0023810
k( 302) = ( 0.1122449 0.2890528 0.2500000), wk = 0.0023810
k( 303) = ( 0.1020408 0.2890528 0.2500000), wk = 0.0023810
k( 304) = ( 0.0918367 0.2890528 0.2500000), wk = 0.0023810
k( 305) = ( 0.0816327 0.2890528 0.2500000), wk = 0.0023810
k( 306) = ( 0.0714286 0.2890528 0.2500000), wk = 0.0023810
k( 307) = ( 0.0612245 0.2890528 0.2500000), wk = 0.0023810
k( 308) = ( 0.0510204 0.2890528 0.2500000), wk = 0.0023810
k( 309) = ( 0.0408163 0.2890528 0.2500000), wk = 0.0023810
k( 310) = ( 0.0306122 0.2890528 0.2500000), wk = 0.0023810
k( 311) = ( 0.0204082 0.2890528 0.2500000), wk = 0.0023810
k( 312) = ( 0.0102041 0.2890528 0.2500000), wk = 0.0023810
k( 313) = ( 0.0000000 0.2890528 0.2500000), wk = 0.0023810
k( 314) = ( 0.0000000 0.2890528 0.2500000), wk = 0.0023810
k( 315) = ( 0.0000000 0.2787295 0.2500000), wk = 0.0023810
k( 316) = ( 0.0000000 0.2684062 0.2500000), wk = 0.0023810
k( 317) = ( 0.0000000 0.2580828 0.2500000), wk = 0.0023810
k( 318) = ( 0.0000000 0.2477595 0.2500000), wk = 0.0023810
k( 319) = ( 0.0000000 0.2374362 0.2500000), wk = 0.0023810
k( 320) = ( 0.0000000 0.2271129 0.2500000), wk = 0.0023810
k( 321) = ( 0.0000000 0.2167896 0.2500000), wk = 0.0023810
k( 322) = ( 0.0000000 0.2064663 0.2500000), wk = 0.0023810
k( 323) = ( 0.0000000 0.1961430 0.2500000), wk = 0.0023810
k( 324) = ( 0.0000000 0.1858196 0.2500000), wk = 0.0023810
k( 325) = ( 0.0000000 0.1754963 0.2500000), wk = 0.0023810
k( 326) = ( 0.0000000 0.1651730 0.2500000), wk = 0.0023810
k( 327) = ( 0.0000000 0.1548497 0.2500000), wk = 0.0023810
k( 328) = ( 0.0000000 0.1445264 0.2500000), wk = 0.0023810
k( 329) = ( 0.0000000 0.1342031 0.2500000), wk = 0.0023810
k( 330) = ( 0.0000000 0.1238798 0.2500000), wk = 0.0023810
k( 331) = ( 0.0000000 0.1135564 0.2500000), wk = 0.0023810
k( 332) = ( 0.0000000 0.1032331 0.2500000), wk = 0.0023810
k( 333) = ( 0.0000000 0.0929098 0.2500000), wk = 0.0023810
k( 334) = ( 0.0000000 0.0825865 0.2500000), wk = 0.0023810
k( 335) = ( 0.0000000 0.0722632 0.2500000), wk = 0.0023810
k( 336) = ( 0.0000000 0.0619399 0.2500000), wk = 0.0023810
k( 337) = ( 0.0000000 0.0516166 0.2500000), wk = 0.0023810
k( 338) = ( 0.0000000 0.0412933 0.2500000), wk = 0.0023810
k( 339) = ( 0.0000000 0.0309699 0.2500000), wk = 0.0023810
k( 340) = ( 0.0000000 0.0206466 0.2500000), wk = 0.0023810
k( 341) = ( 0.0000000 0.0103233 0.2500000), wk = 0.0023810
k( 342) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023810
k( 343) = ( 0.0000000 0.2890528 -0.0000000), wk = 0.0023810
k( 344) = ( 0.0000000 0.2890528 0.0100000), wk = 0.0023810
k( 345) = ( 0.0000000 0.2890528 0.0200000), wk = 0.0023810
k( 346) = ( 0.0000000 0.2890528 0.0300000), wk = 0.0023810
k( 347) = ( 0.0000000 0.2890528 0.0400000), wk = 0.0023810
k( 348) = ( 0.0000000 0.2890528 0.0500000), wk = 0.0023810
k( 349) = ( 0.0000000 0.2890528 0.0600000), wk = 0.0023810
k( 350) = ( 0.0000000 0.2890528 0.0700000), wk = 0.0023810
k( 351) = ( 0.0000000 0.2890528 0.0800000), wk = 0.0023810
k( 352) = ( 0.0000000 0.2890528 0.0900000), wk = 0.0023810
k( 353) = ( 0.0000000 0.2890528 0.1000000), wk = 0.0023810
k( 354) = ( 0.0000000 0.2890528 0.1100000), wk = 0.0023810
k( 355) = ( 0.0000000 0.2890528 0.1200000), wk = 0.0023810
k( 356) = ( 0.0000000 0.2890528 0.1300000), wk = 0.0023810
k( 357) = ( 0.0000000 0.2890528 0.1400000), wk = 0.0023810
k( 358) = ( 0.0000000 0.2890528 0.1500000), wk = 0.0023810
k( 359) = ( 0.0000000 0.2890528 0.1600000), wk = 0.0023810
k( 360) = ( 0.0000000 0.2890528 0.1700000), wk = 0.0023810
k( 361) = ( 0.0000000 0.2890528 0.1800000), wk = 0.0023810
k( 362) = ( 0.0000000 0.2890528 0.1900000), wk = 0.0023810
k( 363) = ( 0.0000000 0.2890528 0.2000000), wk = 0.0023810
k( 364) = ( 0.0000000 0.2890528 0.2100000), wk = 0.0023810
k( 365) = ( 0.0000000 0.2890528 0.2200000), wk = 0.0023810
k( 366) = ( 0.0000000 0.2890528 0.2300000), wk = 0.0023810
k( 367) = ( 0.0000000 0.2890528 0.2400000), wk = 0.0023810
k( 368) = ( 0.0000000 0.2890528 0.2500000), wk = 0.0023810
k( 369) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0023810
k( 370) = ( 0.5000000 -0.0000000 0.2400000), wk = 0.0023810
k( 371) = ( 0.5000000 -0.0000000 0.2300000), wk = 0.0023810
k( 372) = ( 0.5000000 -0.0000000 0.2200000), wk = 0.0023810
k( 373) = ( 0.5000000 -0.0000000 0.2100000), wk = 0.0023810
k( 374) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0023810
k( 375) = ( 0.5000000 -0.0000000 0.1900000), wk = 0.0023810
k( 376) = ( 0.5000000 -0.0000000 0.1800000), wk = 0.0023810
k( 377) = ( 0.5000000 -0.0000000 0.1700000), wk = 0.0023810
k( 378) = ( 0.5000000 -0.0000000 0.1600000), wk = 0.0023810
k( 379) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0023810
k( 380) = ( 0.5000000 -0.0000000 0.1400000), wk = 0.0023810
k( 381) = ( 0.5000000 -0.0000000 0.1300000), wk = 0.0023810
k( 382) = ( 0.5000000 -0.0000000 0.1200000), wk = 0.0023810
k( 383) = ( 0.5000000 -0.0000000 0.1100000), wk = 0.0023810
k( 384) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0023810
k( 385) = ( 0.5000000 -0.0000000 0.0900000), wk = 0.0023810
k( 386) = ( 0.5000000 -0.0000000 0.0800000), wk = 0.0023810
k( 387) = ( 0.5000000 -0.0000000 0.0700000), wk = 0.0023810
k( 388) = ( 0.5000000 -0.0000000 0.0600000), wk = 0.0023810
k( 389) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0023810
k( 390) = ( 0.5000000 -0.0000000 0.0400000), wk = 0.0023810
k( 391) = ( 0.5000000 -0.0000000 0.0300000), wk = 0.0023810
k( 392) = ( 0.5000000 -0.0000000 0.0200000), wk = 0.0023810
k( 393) = ( 0.5000000 -0.0000000 0.0100000), wk = 0.0023810
k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810
k( 395) = ( 0.5000000 0.2890528 -0.0000000), wk = 0.0023810
k( 396) = ( 0.5000000 0.2890528 0.0100000), wk = 0.0023810
k( 397) = ( 0.5000000 0.2890528 0.0200000), wk = 0.0023810
k( 398) = ( 0.5000000 0.2890528 0.0300000), wk = 0.0023810
k( 399) = ( 0.5000000 0.2890528 0.0400000), wk = 0.0023810
k( 400) = ( 0.5000000 0.2890528 0.0500000), wk = 0.0023810
k( 401) = ( 0.5000000 0.2890528 0.0600000), wk = 0.0023810
k( 402) = ( 0.5000000 0.2890528 0.0700000), wk = 0.0023810
k( 403) = ( 0.5000000 0.2890528 0.0800000), wk = 0.0023810
k( 404) = ( 0.5000000 0.2890528 0.0900000), wk = 0.0023810
k( 405) = ( 0.5000000 0.2890528 0.1000000), wk = 0.0023810
k( 406) = ( 0.5000000 0.2890528 0.1100000), wk = 0.0023810
k( 407) = ( 0.5000000 0.2890528 0.1200000), wk = 0.0023810
k( 408) = ( 0.5000000 0.2890528 0.1300000), wk = 0.0023810
k( 409) = ( 0.5000000 0.2890528 0.1400000), wk = 0.0023810
k( 410) = ( 0.5000000 0.2890528 0.1500000), wk = 0.0023810
k( 411) = ( 0.5000000 0.2890528 0.1600000), wk = 0.0023810
k( 412) = ( 0.5000000 0.2890528 0.1700000), wk = 0.0023810
k( 413) = ( 0.5000000 0.2890528 0.1800000), wk = 0.0023810
k( 414) = ( 0.5000000 0.2890528 0.1900000), wk = 0.0023810
k( 415) = ( 0.5000000 0.2890528 0.2000000), wk = 0.0023810
k( 416) = ( 0.5000000 0.2890528 0.2100000), wk = 0.0023810
k( 417) = ( 0.5000000 0.2890528 0.2200000), wk = 0.0023810
k( 418) = ( 0.5000000 0.2890528 0.2300000), wk = 0.0023810
k( 419) = ( 0.5000000 0.2890528 0.2400000), wk = 0.0023810
k( 420) = ( 0.5000000 0.2890528 0.2500000), wk = 0.0023810
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0023810
k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0023810
k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0023810
k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0023810
k( 6) = ( 0.0510204 -0.0000000 0.0000000), wk = 0.0023810
k( 7) = ( 0.0612245 -0.0000000 0.0000000), wk = 0.0023810
k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0023810
k( 9) = ( 0.0816327 0.0000000 0.0000000), wk = 0.0023810
k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0023810
k( 11) = ( 0.1020408 -0.0000000 0.0000000), wk = 0.0023810
k( 12) = ( 0.1122449 -0.0000000 0.0000000), wk = 0.0023810
k( 13) = ( 0.1224490 -0.0000000 0.0000000), wk = 0.0023810
k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0023810
k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0023810
k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0023810
k( 17) = ( 0.1632653 -0.0000000 0.0000000), wk = 0.0023810
k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0023810
k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0023810
k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0023810
k( 21) = ( 0.2040816 -0.0000000 0.0000000), wk = 0.0023810
k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0023810
k( 23) = ( 0.2244898 -0.0000000 0.0000000), wk = 0.0023810
k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0023810
k( 25) = ( 0.2448980 -0.0000000 0.0000000), wk = 0.0023810
k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0023810
k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0023810
k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0023810
k( 29) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0023810
k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0023810
k( 31) = ( 0.3061224 -0.0000000 0.0000000), wk = 0.0023810
k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0023810
k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0023810
k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0023810
k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0023810
k( 36) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0023810
k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0023810
k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0023810
k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0023810
k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0023810
k( 41) = ( 0.4081633 -0.0000000 0.0000000), wk = 0.0023810
k( 42) = ( 0.4183674 -0.0000000 0.0000000), wk = 0.0023810
k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0023810
k( 44) = ( 0.4387755 -0.0000000 0.0000000), wk = 0.0023810
k( 45) = ( 0.4489796 -0.0000000 0.0000000), wk = 0.0023810
k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0023810
k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0023810
k( 48) = ( 0.4795918 -0.0000000 0.0000000), wk = 0.0023810
k( 49) = ( 0.4897959 -0.0000000 0.0000000), wk = 0.0023810
k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810
k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810
k( 52) = ( 0.5000000 0.0178571 0.0000000), wk = 0.0023810
k( 53) = ( 0.5000000 0.0357143 0.0000000), wk = 0.0023810
k( 54) = ( 0.5000000 0.0535714 0.0000000), wk = 0.0023810
k( 55) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0023810
k( 56) = ( 0.5000000 0.0892857 0.0000000), wk = 0.0023810
k( 57) = ( 0.5000000 0.1071429 0.0000000), wk = 0.0023810
k( 58) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0023810
k( 59) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0023810
k( 60) = ( 0.5000000 0.1607143 0.0000000), wk = 0.0023810
k( 61) = ( 0.5000000 0.1785714 0.0000000), wk = 0.0023810
k( 62) = ( 0.5000000 0.1964286 0.0000000), wk = 0.0023810
k( 63) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0023810
k( 64) = ( 0.5000000 0.2321429 0.0000000), wk = 0.0023810
k( 65) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0023810
k( 66) = ( 0.5000000 0.2678571 0.0000000), wk = 0.0023810
k( 67) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0023810
k( 68) = ( 0.5000000 0.3035714 0.0000000), wk = 0.0023810
k( 69) = ( 0.5000000 0.3214286 0.0000000), wk = 0.0023810
k( 70) = ( 0.5000000 0.3392857 0.0000000), wk = 0.0023810
k( 71) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0023810
k( 72) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0023810
k( 73) = ( 0.5000000 0.3928571 0.0000000), wk = 0.0023810
k( 74) = ( 0.5000000 0.4107143 0.0000000), wk = 0.0023810
k( 75) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0023810
k( 76) = ( 0.5000000 0.4464286 0.0000000), wk = 0.0023810
k( 77) = ( 0.5000000 0.4642857 0.0000000), wk = 0.0023810
k( 78) = ( 0.5000000 0.4821429 0.0000000), wk = 0.0023810
k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810
k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810
k( 81) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0023810
k( 82) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0023810
k( 83) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0023810
k( 84) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0023810
k( 85) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0023810
k( 86) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0023810
k( 87) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0023810
k( 88) = ( 0.4183674 0.5000000 -0.0000000), wk = 0.0023810
k( 89) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0023810
k( 90) = ( 0.3979592 0.5000000 0.0000000), wk = 0.0023810
k( 91) = ( 0.3877551 0.5000000 0.0000000), wk = 0.0023810
k( 92) = ( 0.3775510 0.5000000 0.0000000), wk = 0.0023810
k( 93) = ( 0.3673469 0.5000000 0.0000000), wk = 0.0023810
k( 94) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0023810
k( 95) = ( 0.3469388 0.5000000 0.0000000), wk = 0.0023810
k( 96) = ( 0.3367347 0.5000000 0.0000000), wk = 0.0023810
k( 97) = ( 0.3265306 0.5000000 0.0000000), wk = 0.0023810
k( 98) = ( 0.3163265 0.5000000 0.0000000), wk = 0.0023810
k( 99) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0023810
k( 100) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0023810
k( 101) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0023810
k( 102) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0023810
k( 103) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0023810
k( 104) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0023810
k( 105) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0023810
k( 106) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0023810
k( 107) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0023810
k( 108) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0023810
k( 109) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0023810
k( 110) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0023810
k( 111) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0023810
k( 112) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0023810
k( 113) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0023810
k( 114) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0023810
k( 115) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0023810
k( 116) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0023810
k( 117) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0023810
k( 118) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0023810
k( 119) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0023810
k( 120) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0023810
k( 121) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0023810
k( 122) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0023810
k( 123) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0023810
k( 124) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0023810
k( 125) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0023810
k( 126) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0023810
k( 127) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0023810
k( 128) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0023810
k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810
k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810
k( 131) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0023810
k( 132) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0023810
k( 133) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0023810
k( 134) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0023810
k( 135) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0023810
k( 136) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0023810
k( 137) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0023810
k( 138) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0023810
k( 139) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0023810
k( 140) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0023810
k( 141) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0023810
k( 142) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0023810
k( 143) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0023810
k( 144) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0023810
k( 145) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0023810
k( 146) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0023810
k( 147) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0023810
k( 148) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0023810
k( 149) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0023810
k( 150) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0023810
k( 151) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0023810
k( 152) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0023810
k( 153) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0023810
k( 154) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0023810
k( 155) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0023810
k( 156) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0023810
k( 157) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0023810
k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810
k( 160) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023810
k( 161) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023810
k( 162) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023810
k( 163) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023810
k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023810
k( 165) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023810
k( 166) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023810
k( 167) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023810
k( 168) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023810
k( 169) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023810
k( 170) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023810
k( 171) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023810
k( 172) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023810
k( 173) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023810
k( 174) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023810
k( 175) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023810
k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023810
k( 177) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023810
k( 178) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023810
k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023810
k( 180) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023810
k( 181) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023810
k( 182) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023810
k( 183) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023810
k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810
k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810
k( 186) = ( 0.0102041 0.0000000 0.5000000), wk = 0.0023810
k( 187) = ( 0.0204082 0.0000000 0.5000000), wk = 0.0023810
k( 188) = ( 0.0306122 0.0000000 0.5000000), wk = 0.0023810
k( 189) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0023810
k( 190) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0023810
k( 191) = ( 0.0612245 -0.0000000 0.5000000), wk = 0.0023810
k( 192) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0023810
k( 193) = ( 0.0816327 0.0000000 0.5000000), wk = 0.0023810
k( 194) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0023810
k( 195) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0023810
k( 196) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0023810
k( 197) = ( 0.1224490 -0.0000000 0.5000000), wk = 0.0023810
k( 198) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0023810
k( 199) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0023810
k( 200) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0023810
k( 201) = ( 0.1632653 -0.0000000 0.5000000), wk = 0.0023810
k( 202) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0023810
k( 203) = ( 0.1836735 -0.0000000 0.5000000), wk = 0.0023810
k( 204) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0023810
k( 205) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0023810
k( 206) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0023810
k( 207) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0023810
k( 208) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0023810
k( 209) = ( 0.2448980 -0.0000000 0.5000000), wk = 0.0023810
k( 210) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0023810
k( 211) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0023810
k( 212) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0023810
k( 213) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0023810
k( 214) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0023810
k( 215) = ( 0.3061224 -0.0000000 0.5000000), wk = 0.0023810
k( 216) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0023810
k( 217) = ( 0.3265306 -0.0000000 0.5000000), wk = 0.0023810
k( 218) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0023810
k( 219) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0023810
k( 220) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0023810
k( 221) = ( 0.3673469 -0.0000000 0.5000000), wk = 0.0023810
k( 222) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0023810
k( 223) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0023810
k( 224) = ( 0.3979592 0.0000000 0.5000000), wk = 0.0023810
k( 225) = ( 0.4081633 -0.0000000 0.5000000), wk = 0.0023810
k( 226) = ( 0.4183674 -0.0000000 0.5000000), wk = 0.0023810
k( 227) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0023810
k( 228) = ( 0.4387755 -0.0000000 0.5000000), wk = 0.0023810
k( 229) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0023810
k( 230) = ( 0.4591837 0.0000000 0.5000000), wk = 0.0023810
k( 231) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0023810
k( 232) = ( 0.4795918 -0.0000000 0.5000000), wk = 0.0023810
k( 233) = ( 0.4897959 -0.0000000 0.5000000), wk = 0.0023810
k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810
k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810
k( 236) = ( 0.5000000 0.0178571 0.5000000), wk = 0.0023810
k( 237) = ( 0.5000000 0.0357143 0.5000000), wk = 0.0023810
k( 238) = ( 0.5000000 0.0535714 0.5000000), wk = 0.0023810
k( 239) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0023810
k( 240) = ( 0.5000000 0.0892857 0.5000000), wk = 0.0023810
k( 241) = ( 0.5000000 0.1071429 0.5000000), wk = 0.0023810
k( 242) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0023810
k( 243) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0023810
k( 244) = ( 0.5000000 0.1607143 0.5000000), wk = 0.0023810
k( 245) = ( 0.5000000 0.1785714 0.5000000), wk = 0.0023810
k( 246) = ( 0.5000000 0.1964286 0.5000000), wk = 0.0023810
k( 247) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0023810
k( 248) = ( 0.5000000 0.2321429 0.5000000), wk = 0.0023810
k( 249) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0023810
k( 250) = ( 0.5000000 0.2678571 0.5000000), wk = 0.0023810
k( 251) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0023810
k( 252) = ( 0.5000000 0.3035714 0.5000000), wk = 0.0023810
k( 253) = ( 0.5000000 0.3214286 0.5000000), wk = 0.0023810
k( 254) = ( 0.5000000 0.3392857 0.5000000), wk = 0.0023810
k( 255) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0023810
k( 256) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0023810
k( 257) = ( 0.5000000 0.3928571 0.5000000), wk = 0.0023810
k( 258) = ( 0.5000000 0.4107143 0.5000000), wk = 0.0023810
k( 259) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0023810
k( 260) = ( 0.5000000 0.4464286 0.5000000), wk = 0.0023810
k( 261) = ( 0.5000000 0.4642857 0.5000000), wk = 0.0023810
k( 262) = ( 0.5000000 0.4821429 0.5000000), wk = 0.0023810
k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810
k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810
k( 265) = ( 0.4897959 0.5000000 0.5000000), wk = 0.0023810
k( 266) = ( 0.4795918 0.5000000 0.5000000), wk = 0.0023810
k( 267) = ( 0.4693878 0.5000000 0.5000000), wk = 0.0023810
k( 268) = ( 0.4591837 0.5000000 0.5000000), wk = 0.0023810
k( 269) = ( 0.4489796 0.5000000 0.5000000), wk = 0.0023810
k( 270) = ( 0.4387755 0.5000000 0.5000000), wk = 0.0023810
k( 271) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0023810
k( 272) = ( 0.4183674 0.5000000 0.5000000), wk = 0.0023810
k( 273) = ( 0.4081633 0.5000000 0.5000000), wk = 0.0023810
k( 274) = ( 0.3979592 0.5000000 0.5000000), wk = 0.0023810
k( 275) = ( 0.3877551 0.5000000 0.5000000), wk = 0.0023810
k( 276) = ( 0.3775510 0.5000000 0.5000000), wk = 0.0023810
k( 277) = ( 0.3673469 0.5000000 0.5000000), wk = 0.0023810
k( 278) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0023810
k( 279) = ( 0.3469388 0.5000000 0.5000000), wk = 0.0023810
k( 280) = ( 0.3367347 0.5000000 0.5000000), wk = 0.0023810
k( 281) = ( 0.3265306 0.5000000 0.5000000), wk = 0.0023810
k( 282) = ( 0.3163265 0.5000000 0.5000000), wk = 0.0023810
k( 283) = ( 0.3061224 0.5000000 0.5000000), wk = 0.0023810
k( 284) = ( 0.2959184 0.5000000 0.5000000), wk = 0.0023810
k( 285) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0023810
k( 286) = ( 0.2755102 0.5000000 0.5000000), wk = 0.0023810
k( 287) = ( 0.2653061 0.5000000 0.5000000), wk = 0.0023810
k( 288) = ( 0.2551020 0.5000000 0.5000000), wk = 0.0023810
k( 289) = ( 0.2448980 0.5000000 0.5000000), wk = 0.0023810
k( 290) = ( 0.2346939 0.5000000 0.5000000), wk = 0.0023810
k( 291) = ( 0.2244898 0.5000000 0.5000000), wk = 0.0023810
k( 292) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0023810
k( 293) = ( 0.2040816 0.5000000 0.5000000), wk = 0.0023810
k( 294) = ( 0.1938776 0.5000000 0.5000000), wk = 0.0023810
k( 295) = ( 0.1836735 0.5000000 0.5000000), wk = 0.0023810
k( 296) = ( 0.1734694 0.5000000 0.5000000), wk = 0.0023810
k( 297) = ( 0.1632653 0.5000000 0.5000000), wk = 0.0023810
k( 298) = ( 0.1530612 0.5000000 0.5000000), wk = 0.0023810
k( 299) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0023810
k( 300) = ( 0.1326531 0.5000000 0.5000000), wk = 0.0023810
k( 301) = ( 0.1224490 0.5000000 0.5000000), wk = 0.0023810
k( 302) = ( 0.1122449 0.5000000 0.5000000), wk = 0.0023810
k( 303) = ( 0.1020408 0.5000000 0.5000000), wk = 0.0023810
k( 304) = ( 0.0918367 0.5000000 0.5000000), wk = 0.0023810
k( 305) = ( 0.0816327 0.5000000 0.5000000), wk = 0.0023810
k( 306) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0023810
k( 307) = ( 0.0612245 0.5000000 0.5000000), wk = 0.0023810
k( 308) = ( 0.0510204 0.5000000 0.5000000), wk = 0.0023810
k( 309) = ( 0.0408163 0.5000000 0.5000000), wk = 0.0023810
k( 310) = ( 0.0306122 0.5000000 0.5000000), wk = 0.0023810
k( 311) = ( 0.0204082 0.5000000 0.5000000), wk = 0.0023810
k( 312) = ( 0.0102041 0.5000000 0.5000000), wk = 0.0023810
k( 313) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810
k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810
k( 315) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0023810
k( 316) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0023810
k( 317) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0023810
k( 318) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0023810
k( 319) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0023810
k( 320) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0023810
k( 321) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0023810
k( 322) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0023810
k( 323) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0023810
k( 324) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0023810
k( 325) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0023810
k( 326) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0023810
k( 327) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0023810
k( 328) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0023810
k( 329) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0023810
k( 330) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0023810
k( 331) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0023810
k( 332) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0023810
k( 333) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0023810
k( 334) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0023810
k( 335) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0023810
k( 336) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0023810
k( 337) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0023810
k( 338) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0023810
k( 339) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0023810
k( 340) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0023810
k( 341) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0023810
k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810
k( 343) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810
k( 344) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0023810
k( 345) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0023810
k( 346) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0023810
k( 347) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0023810
k( 348) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023810
k( 349) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0023810
k( 350) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0023810
k( 351) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0023810
k( 352) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0023810
k( 353) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023810
k( 354) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0023810
k( 355) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0023810
k( 356) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0023810
k( 357) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0023810
k( 358) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023810
k( 359) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0023810
k( 360) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0023810
k( 361) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0023810
k( 362) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0023810
k( 363) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023810
k( 364) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0023810
k( 365) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0023810
k( 366) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0023810
k( 367) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0023810
k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810
k( 369) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810
k( 370) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0023810
k( 371) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0023810
k( 372) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0023810
k( 373) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0023810
k( 374) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023810
k( 375) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0023810
k( 376) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0023810
k( 377) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0023810
k( 378) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0023810
k( 379) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023810
k( 380) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0023810
k( 381) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0023810
k( 382) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0023810
k( 383) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0023810
k( 384) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023810
k( 385) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0023810
k( 386) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0023810
k( 387) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0023810
k( 388) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0023810
k( 389) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023810
k( 390) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0023810
k( 391) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0023810
k( 392) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0023810
k( 393) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0023810
k( 394) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810
k( 395) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810
k( 396) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0023810
k( 397) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0023810
k( 398) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0023810
k( 399) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0023810
k( 400) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023810
k( 401) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0023810
k( 402) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0023810
k( 403) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0023810
k( 404) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0023810
k( 405) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023810
k( 406) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0023810
k( 407) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0023810
k( 408) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0023810
k( 409) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0023810
k( 410) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023810
k( 411) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0023810
k( 412) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0023810
k( 413) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0023810
k( 414) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0023810
k( 415) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023810
k( 416) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0023810
k( 417) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0023810
k( 418) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0023810
k( 419) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0023810
k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810
Dense grid: 77561 G-vectors FFT dimensions: ( 36, 64, 72)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.37 Mb ( 552, 44)
NL pseudopotentials 1.04 Mb ( 276, 248)
Each V/rho on FFT grid 0.07 Mb ( 4608)
Each G-vector array 0.02 Mb ( 2155)
G-vector shells 0.01 Mb ( 1027)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.48 Mb ( 552, 176)
Each subspace H/S matrix 0.03 Mb ( 44, 44)
Each <psi_i|beta_j> matrix 0.33 Mb ( 248, 2, 44)
The potential is recalculated from file :
./Cs.save/charge-density.dat
Starting wfc are 40 randomized atomic wfcs + 4 random wfc
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.5 secs
Computing kpt #: 2
total cpu time spent up to now is 2.3 secs
Computing kpt #: 3
total cpu time spent up to now is 3.0 secs
Computing kpt #: 4
total cpu time spent up to now is 3.8 secs
Computing kpt #: 5
total cpu time spent up to now is 4.5 secs
Computing kpt #: 6
total cpu time spent up to now is 5.3 secs
Computing kpt #: 7
total cpu time spent up to now is 6.1 secs
Computing kpt #: 8
total cpu time spent up to now is 7.0 secs
Computing kpt #: 9
total cpu time spent up to now is 8.1 secs
Computing kpt #: 10
total cpu time spent up to now is 8.9 secs
Computing kpt #: 11
total cpu time spent up to now is 9.7 secs
Computing kpt #: 12
total cpu time spent up to now is 10.5 secs
Computing kpt #: 13
total cpu time spent up to now is 11.4 secs
Computing kpt #: 14
total cpu time spent up to now is 12.3 secs
Computing kpt #: 15
total cpu time spent up to now is 13.0 secs
Computing kpt #: 16
total cpu time spent up to now is 13.8 secs
Computing kpt #: 17
total cpu time spent up to now is 14.5 secs
Computing kpt #: 18
total cpu time spent up to now is 15.3 secs
Computing kpt #: 19
total cpu time spent up to now is 16.0 secs
Computing kpt #: 20
total cpu time spent up to now is 16.7 secs
Computing kpt #: 21
total cpu time spent up to now is 17.5 secs
Computing kpt #: 22
total cpu time spent up to now is 18.5 secs
Computing kpt #: 23
total cpu time spent up to now is 19.3 secs
Computing kpt #: 24
total cpu time spent up to now is 20.1 secs
Computing kpt #: 25
total cpu time spent up to now is 21.0 secs
Computing kpt #: 26
total cpu time spent up to now is 21.7 secs
Computing kpt #: 27
total cpu time spent up to now is 22.6 secs
Computing kpt #: 28
total cpu time spent up to now is 23.4 secs
Computing kpt #: 29
total cpu time spent up to now is 24.2 secs
Computing kpt #: 30
total cpu time spent up to now is 25.0 secs
Computing kpt #: 31
total cpu time spent up to now is 25.8 secs
Computing kpt #: 32
total cpu time spent up to now is 26.6 secs
Computing kpt #: 33
total cpu time spent up to now is 27.3 secs
Computing kpt #: 34
total cpu time spent up to now is 28.1 secs
Computing kpt #: 35
total cpu time spent up to now is 28.8 secs
Computing kpt #: 36
total cpu time spent up to now is 29.5 secs
Computing kpt #: 37
total cpu time spent up to now is 30.2 secs
Computing kpt #: 38
total cpu time spent up to now is 31.0 secs
Computing kpt #: 39
total cpu time spent up to now is 31.7 secs
Computing kpt #: 40
total cpu time spent up to now is 32.4 secs
Computing kpt #: 41
total cpu time spent up to now is 33.1 secs
Computing kpt #: 42
total cpu time spent up to now is 33.9 secs
Computing kpt #: 43
total cpu time spent up to now is 34.6 secs
Computing kpt #: 44
total cpu time spent up to now is 35.3 secs
Computing kpt #: 45
total cpu time spent up to now is 36.0 secs
Computing kpt #: 46
total cpu time spent up to now is 36.7 secs
Computing kpt #: 47
total cpu time spent up to now is 37.4 secs
Computing kpt #: 48
total cpu time spent up to now is 38.2 secs
Computing kpt #: 49
total cpu time spent up to now is 38.9 secs
Computing kpt #: 50
total cpu time spent up to now is 39.6 secs
Computing kpt #: 51
total cpu time spent up to now is 40.2 secs
Computing kpt #: 52
total cpu time spent up to now is 40.9 secs
Computing kpt #: 53
total cpu time spent up to now is 41.6 secs
Computing kpt #: 54
total cpu time spent up to now is 42.4 secs
Computing kpt #: 55
total cpu time spent up to now is 43.1 secs
Computing kpt #: 56
total cpu time spent up to now is 43.8 secs
Computing kpt #: 57
total cpu time spent up to now is 44.5 secs
Computing kpt #: 58
total cpu time spent up to now is 45.3 secs
Computing kpt #: 59
total cpu time spent up to now is 46.0 secs
Computing kpt #: 60
total cpu time spent up to now is 46.8 secs
Computing kpt #: 61
total cpu time spent up to now is 47.7 secs
Computing kpt #: 62
total cpu time spent up to now is 48.5 secs
Computing kpt #: 63
total cpu time spent up to now is 49.4 secs
Computing kpt #: 64
total cpu time spent up to now is 50.2 secs
Computing kpt #: 65
total cpu time spent up to now is 51.0 secs
Computing kpt #: 66
total cpu time spent up to now is 51.9 secs
Computing kpt #: 67
total cpu time spent up to now is 52.7 secs
Computing kpt #: 68
total cpu time spent up to now is 53.6 secs
Computing kpt #: 69
total cpu time spent up to now is 54.6 secs
Computing kpt #: 70
total cpu time spent up to now is 56.2 secs
Computing kpt #: 71
total cpu time spent up to now is 57.3 secs
Computing kpt #: 72
total cpu time spent up to now is 58.3 secs
Computing kpt #: 73
total cpu time spent up to now is 59.4 secs
Computing kpt #: 74
total cpu time spent up to now is 60.2 secs
Computing kpt #: 75
total cpu time spent up to now is 60.9 secs
Computing kpt #: 76
total cpu time spent up to now is 61.7 secs
Computing kpt #: 77
total cpu time spent up to now is 62.5 secs
Computing kpt #: 78
total cpu time spent up to now is 63.3 secs
Computing kpt #: 79
total cpu time spent up to now is 64.1 secs
Computing kpt #: 80
total cpu time spent up to now is 64.9 secs
Computing kpt #: 81
total cpu time spent up to now is 65.7 secs
Computing kpt #: 82
total cpu time spent up to now is 66.4 secs
Computing kpt #: 83
total cpu time spent up to now is 67.2 secs
Computing kpt #: 84
total cpu time spent up to now is 68.0 secs
Computing kpt #: 85
total cpu time spent up to now is 68.7 secs
Computing kpt #: 86
total cpu time spent up to now is 69.5 secs
Computing kpt #: 87
total cpu time spent up to now is 70.2 secs
Computing kpt #: 88
total cpu time spent up to now is 70.9 secs
Computing kpt #: 89
total cpu time spent up to now is 71.7 secs
Computing kpt #: 90
total cpu time spent up to now is 72.4 secs
Computing kpt #: 91
total cpu time spent up to now is 73.1 secs
Computing kpt #: 92
total cpu time spent up to now is 73.8 secs
Computing kpt #: 93
total cpu time spent up to now is 74.6 secs
Computing kpt #: 94
total cpu time spent up to now is 75.3 secs
Computing kpt #: 95
total cpu time spent up to now is 76.0 secs
Computing kpt #: 96
total cpu time spent up to now is 76.8 secs
Computing kpt #: 97
total cpu time spent up to now is 77.5 secs
Computing kpt #: 98
total cpu time spent up to now is 78.2 secs
Computing kpt #: 99
total cpu time spent up to now is 79.0 secs
Computing kpt #: 100
total cpu time spent up to now is 79.7 secs
Computing kpt #: 101
total cpu time spent up to now is 80.5 secs
Computing kpt #: 102
total cpu time spent up to now is 81.2 secs
Computing kpt #: 103
total cpu time spent up to now is 82.0 secs
Computing kpt #: 104
total cpu time spent up to now is 82.7 secs
Computing kpt #: 105
total cpu time spent up to now is 83.5 secs
Computing kpt #: 106
total cpu time spent up to now is 84.2 secs
Computing kpt #: 107
total cpu time spent up to now is 85.0 secs
Computing kpt #: 108
total cpu time spent up to now is 85.7 secs
Computing kpt #: 109
total cpu time spent up to now is 86.5 secs
Computing kpt #: 110
total cpu time spent up to now is 87.3 secs
Computing kpt #: 111
total cpu time spent up to now is 88.0 secs
Computing kpt #: 112
total cpu time spent up to now is 88.8 secs
Computing kpt #: 113
total cpu time spent up to now is 89.6 secs
Computing kpt #: 114
total cpu time spent up to now is 90.4 secs
Computing kpt #: 115
total cpu time spent up to now is 91.2 secs
Computing kpt #: 116
total cpu time spent up to now is 92.1 secs
Computing kpt #: 117
total cpu time spent up to now is 93.3 secs
Computing kpt #: 118
total cpu time spent up to now is 94.3 secs
Computing kpt #: 119
total cpu time spent up to now is 95.1 secs
Computing kpt #: 120
total cpu time spent up to now is 96.0 secs
Computing kpt #: 121
total cpu time spent up to now is 96.8 secs
Computing kpt #: 122
total cpu time spent up to now is 97.6 secs
Computing kpt #: 123
total cpu time spent up to now is 98.4 secs
Computing kpt #: 124
total cpu time spent up to now is 99.2 secs
Computing kpt #: 125
total cpu time spent up to now is 99.9 secs
Computing kpt #: 126
total cpu time spent up to now is 100.7 secs
Computing kpt #: 127
total cpu time spent up to now is 101.5 secs
Computing kpt #: 128
total cpu time spent up to now is 102.3 secs
Computing kpt #: 129
total cpu time spent up to now is 103.0 secs
Computing kpt #: 130
total cpu time spent up to now is 103.8 secs
Computing kpt #: 131
total cpu time spent up to now is 104.6 secs
Computing kpt #: 132
total cpu time spent up to now is 105.3 secs
Computing kpt #: 133
total cpu time spent up to now is 106.5 secs
Computing kpt #: 134
total cpu time spent up to now is 107.2 secs
Computing kpt #: 135
total cpu time spent up to now is 108.0 secs
Computing kpt #: 136
total cpu time spent up to now is 108.8 secs
Computing kpt #: 137
total cpu time spent up to now is 109.5 secs
Computing kpt #: 138
total cpu time spent up to now is 110.3 secs
Computing kpt #: 139
total cpu time spent up to now is 111.1 secs
Computing kpt #: 140
total cpu time spent up to now is 111.9 secs
Computing kpt #: 141
total cpu time spent up to now is 112.9 secs
Computing kpt #: 142
total cpu time spent up to now is 113.7 secs
Computing kpt #: 143
total cpu time spent up to now is 114.5 secs
Computing kpt #: 144
total cpu time spent up to now is 115.3 secs
Computing kpt #: 145
total cpu time spent up to now is 116.1 secs
Computing kpt #: 146
total cpu time spent up to now is 116.9 secs
Computing kpt #: 147
total cpu time spent up to now is 117.6 secs
Computing kpt #: 148
total cpu time spent up to now is 118.3 secs
Computing kpt #: 149
total cpu time spent up to now is 119.0 secs
Computing kpt #: 150
total cpu time spent up to now is 119.7 secs
Computing kpt #: 151
total cpu time spent up to now is 120.4 secs
Computing kpt #: 152
total cpu time spent up to now is 121.1 secs
Computing kpt #: 153
total cpu time spent up to now is 121.8 secs
Computing kpt #: 154
total cpu time spent up to now is 122.6 secs
Computing kpt #: 155
total cpu time spent up to now is 123.3 secs
Computing kpt #: 156
total cpu time spent up to now is 124.0 secs
Computing kpt #: 157
total cpu time spent up to now is 124.7 secs
Computing kpt #: 158
total cpu time spent up to now is 125.4 secs
Computing kpt #: 159
total cpu time spent up to now is 126.2 secs
Computing kpt #: 160
total cpu time spent up to now is 126.9 secs
Computing kpt #: 161
total cpu time spent up to now is 127.6 secs
Computing kpt #: 162
total cpu time spent up to now is 128.3 secs
Computing kpt #: 163
total cpu time spent up to now is 129.0 secs
Computing kpt #: 164
total cpu time spent up to now is 129.8 secs
Computing kpt #: 165
total cpu time spent up to now is 130.6 secs
Computing kpt #: 166
total cpu time spent up to now is 131.3 secs
Computing kpt #: 167
total cpu time spent up to now is 132.1 secs
Computing kpt #: 168
total cpu time spent up to now is 133.0 secs
Computing kpt #: 169
total cpu time spent up to now is 133.8 secs
Computing kpt #: 170
total cpu time spent up to now is 134.7 secs
Computing kpt #: 171
total cpu time spent up to now is 135.6 secs
Computing kpt #: 172
total cpu time spent up to now is 136.6 secs
Computing kpt #: 173
total cpu time spent up to now is 137.9 secs
Computing kpt #: 174
total cpu time spent up to now is 139.0 secs
Computing kpt #: 175
total cpu time spent up to now is 140.0 secs
Computing kpt #: 176
total cpu time spent up to now is 140.9 secs
Computing kpt #: 177
total cpu time spent up to now is 141.8 secs
Computing kpt #: 178
total cpu time spent up to now is 142.5 secs
Computing kpt #: 179
total cpu time spent up to now is 143.4 secs
Computing kpt #: 180
total cpu time spent up to now is 144.1 secs
Computing kpt #: 181
total cpu time spent up to now is 145.3 secs
Computing kpt #: 182
total cpu time spent up to now is 146.2 secs
Computing kpt #: 183
total cpu time spent up to now is 147.1 secs
Computing kpt #: 184
total cpu time spent up to now is 147.9 secs
Computing kpt #: 185
total cpu time spent up to now is 148.7 secs
Computing kpt #: 186
total cpu time spent up to now is 149.5 secs
Computing kpt #: 187
total cpu time spent up to now is 150.4 secs
Computing kpt #: 188
total cpu time spent up to now is 151.2 secs
Computing kpt #: 189
total cpu time spent up to now is 152.1 secs
Computing kpt #: 190
total cpu time spent up to now is 152.9 secs
Computing kpt #: 191
total cpu time spent up to now is 153.9 secs
Computing kpt #: 192
total cpu time spent up to now is 154.9 secs
Computing kpt #: 193
total cpu time spent up to now is 156.0 secs
Computing kpt #: 194
total cpu time spent up to now is 157.1 secs
Computing kpt #: 195
total cpu time spent up to now is 158.5 secs
Computing kpt #: 196
total cpu time spent up to now is 159.5 secs
Computing kpt #: 197
total cpu time spent up to now is 160.4 secs
Computing kpt #: 198
total cpu time spent up to now is 161.5 secs
Computing kpt #: 199
total cpu time spent up to now is 162.6 secs
Computing kpt #: 200
total cpu time spent up to now is 163.6 secs
Computing kpt #: 201
total cpu time spent up to now is 164.8 secs
Computing kpt #: 202
total cpu time spent up to now is 166.1 secs
Computing kpt #: 203
total cpu time spent up to now is 167.2 secs
Computing kpt #: 204
total cpu time spent up to now is 168.0 secs
Computing kpt #: 205
total cpu time spent up to now is 168.8 secs
Computing kpt #: 206
total cpu time spent up to now is 169.6 secs
Computing kpt #: 207
total cpu time spent up to now is 170.3 secs
Computing kpt #: 208
total cpu time spent up to now is 171.1 secs
Computing kpt #: 209
total cpu time spent up to now is 171.8 secs
Computing kpt #: 210
total cpu time spent up to now is 172.5 secs
Computing kpt #: 211
total cpu time spent up to now is 173.1 secs
Computing kpt #: 212
total cpu time spent up to now is 173.8 secs
Computing kpt #: 213
total cpu time spent up to now is 174.4 secs
Computing kpt #: 214
total cpu time spent up to now is 175.0 secs
Computing kpt #: 215
total cpu time spent up to now is 175.6 secs
Computing kpt #: 216
total cpu time spent up to now is 176.6 secs
Computing kpt #: 217
total cpu time spent up to now is 177.1 secs
Computing kpt #: 218
total cpu time spent up to now is 177.7 secs
Computing kpt #: 219
total cpu time spent up to now is 178.3 secs
Computing kpt #: 220
total cpu time spent up to now is 178.9 secs
Computing kpt #: 221
total cpu time spent up to now is 179.5 secs
Computing kpt #: 222
total cpu time spent up to now is 180.1 secs
Computing kpt #: 223
total cpu time spent up to now is 180.7 secs
Computing kpt #: 224
total cpu time spent up to now is 181.3 secs
Computing kpt #: 225
total cpu time spent up to now is 181.8 secs
Computing kpt #: 226
total cpu time spent up to now is 182.4 secs
Computing kpt #: 227
total cpu time spent up to now is 183.0 secs
Computing kpt #: 228
total cpu time spent up to now is 183.6 secs
Computing kpt #: 229
total cpu time spent up to now is 184.1 secs
Computing kpt #: 230
total cpu time spent up to now is 184.7 secs
Computing kpt #: 231
total cpu time spent up to now is 185.3 secs
Computing kpt #: 232
total cpu time spent up to now is 185.9 secs
Computing kpt #: 233
total cpu time spent up to now is 186.5 secs
Computing kpt #: 234
total cpu time spent up to now is 187.1 secs
Computing kpt #: 235
total cpu time spent up to now is 187.6 secs
Computing kpt #: 236
total cpu time spent up to now is 188.2 secs
Computing kpt #: 237
total cpu time spent up to now is 188.8 secs
Computing kpt #: 238
total cpu time spent up to now is 189.4 secs
Computing kpt #: 239
total cpu time spent up to now is 190.0 secs
Computing kpt #: 240
total cpu time spent up to now is 190.5 secs
Computing kpt #: 241
total cpu time spent up to now is 191.1 secs
Computing kpt #: 242
total cpu time spent up to now is 191.7 secs
Computing kpt #: 243
total cpu time spent up to now is 192.3 secs
Computing kpt #: 244
total cpu time spent up to now is 192.9 secs
Computing kpt #: 245
total cpu time spent up to now is 193.5 secs
Computing kpt #: 246
total cpu time spent up to now is 194.1 secs
Computing kpt #: 247
total cpu time spent up to now is 194.7 secs
Computing kpt #: 248
total cpu time spent up to now is 195.3 secs
Computing kpt #: 249
total cpu time spent up to now is 195.9 secs
Computing kpt #: 250
total cpu time spent up to now is 196.6 secs
Computing kpt #: 251
total cpu time spent up to now is 197.2 secs
Computing kpt #: 252
total cpu time spent up to now is 197.9 secs
Computing kpt #: 253
total cpu time spent up to now is 198.5 secs
Computing kpt #: 254
total cpu time spent up to now is 199.2 secs
Computing kpt #: 255
total cpu time spent up to now is 199.9 secs
Computing kpt #: 256
total cpu time spent up to now is 200.7 secs
Computing kpt #: 257
total cpu time spent up to now is 201.4 secs
Computing kpt #: 258
total cpu time spent up to now is 202.1 secs
Computing kpt #: 259
total cpu time spent up to now is 202.9 secs
Computing kpt #: 260
total cpu time spent up to now is 203.6 secs
Computing kpt #: 261
total cpu time spent up to now is 204.4 secs
Computing kpt #: 262
total cpu time spent up to now is 205.2 secs
Computing kpt #: 263
total cpu time spent up to now is 206.0 secs
Computing kpt #: 264
total cpu time spent up to now is 206.8 secs
Computing kpt #: 265
total cpu time spent up to now is 207.6 secs
Computing kpt #: 266
total cpu time spent up to now is 208.5 secs
Computing kpt #: 267
total cpu time spent up to now is 209.3 secs
Computing kpt #: 268
total cpu time spent up to now is 210.1 secs
Computing kpt #: 269
total cpu time spent up to now is 211.0 secs
Computing kpt #: 270
total cpu time spent up to now is 212.0 secs
Computing kpt #: 271
total cpu time spent up to now is 212.8 secs
Computing kpt #: 272
total cpu time spent up to now is 213.8 secs
Computing kpt #: 273
total cpu time spent up to now is 214.9 secs
Computing kpt #: 274
total cpu time spent up to now is 215.9 secs
Computing kpt #: 275
total cpu time spent up to now is 216.9 secs
Computing kpt #: 276
total cpu time spent up to now is 217.9 secs
Computing kpt #: 277
total cpu time spent up to now is 218.9 secs
Computing kpt #: 278
total cpu time spent up to now is 219.9 secs
Computing kpt #: 279
total cpu time spent up to now is 220.9 secs
Computing kpt #: 280
total cpu time spent up to now is 222.0 secs
Computing kpt #: 281
total cpu time spent up to now is 223.1 secs
Computing kpt #: 282
total cpu time spent up to now is 224.1 secs
Computing kpt #: 283
total cpu time spent up to now is 225.1 secs
Computing kpt #: 284
total cpu time spent up to now is 226.2 secs
Computing kpt #: 285
total cpu time spent up to now is 227.2 secs
Computing kpt #: 286
total cpu time spent up to now is 228.2 secs
Computing kpt #: 287
total cpu time spent up to now is 229.2 secs
Computing kpt #: 288
total cpu time spent up to now is 230.3 secs
Computing kpt #: 289
total cpu time spent up to now is 231.2 secs
Computing kpt #: 290
total cpu time spent up to now is 232.1 secs
Computing kpt #: 291
total cpu time spent up to now is 233.0 secs
Computing kpt #: 292
total cpu time spent up to now is 233.9 secs
Computing kpt #: 293
total cpu time spent up to now is 234.8 secs
Computing kpt #: 294
total cpu time spent up to now is 235.8 secs
Computing kpt #: 295
total cpu time spent up to now is 236.7 secs
Computing kpt #: 296
total cpu time spent up to now is 237.7 secs
Computing kpt #: 297
total cpu time spent up to now is 238.7 secs
Computing kpt #: 298
total cpu time spent up to now is 239.7 secs
Computing kpt #: 299
total cpu time spent up to now is 240.7 secs
Computing kpt #: 300
total cpu time spent up to now is 241.7 secs
Computing kpt #: 301
total cpu time spent up to now is 242.7 secs
Computing kpt #: 302
total cpu time spent up to now is 243.8 secs
Computing kpt #: 303
total cpu time spent up to now is 244.8 secs
Computing kpt #: 304
total cpu time spent up to now is 245.8 secs
Computing kpt #: 305
total cpu time spent up to now is 246.7 secs
Computing kpt #: 306
total cpu time spent up to now is 247.5 secs
Computing kpt #: 307
total cpu time spent up to now is 248.3 secs
Computing kpt #: 308
total cpu time spent up to now is 249.1 secs
Computing kpt #: 309
total cpu time spent up to now is 249.9 secs
Computing kpt #: 310
total cpu time spent up to now is 250.7 secs
Computing kpt #: 311
total cpu time spent up to now is 251.8 secs
Computing kpt #: 312
total cpu time spent up to now is 252.7 secs
Computing kpt #: 313
total cpu time spent up to now is 253.5 secs
Computing kpt #: 314
total cpu time spent up to now is 254.3 secs
Computing kpt #: 315
total cpu time spent up to now is 255.1 secs
Computing kpt #: 316
total cpu time spent up to now is 255.9 secs
Computing kpt #: 317
total cpu time spent up to now is 256.7 secs
Computing kpt #: 318
total cpu time spent up to now is 257.5 secs
Computing kpt #: 319
total cpu time spent up to now is 258.3 secs
Computing kpt #: 320
total cpu time spent up to now is 259.1 secs
Computing kpt #: 321
total cpu time spent up to now is 259.9 secs
Computing kpt #: 322
total cpu time spent up to now is 260.6 secs
Computing kpt #: 323
total cpu time spent up to now is 261.4 secs
Computing kpt #: 324
total cpu time spent up to now is 262.2 secs
Computing kpt #: 325
total cpu time spent up to now is 262.9 secs
Computing kpt #: 326
total cpu time spent up to now is 263.7 secs
Computing kpt #: 327
total cpu time spent up to now is 264.5 secs
Computing kpt #: 328
total cpu time spent up to now is 265.2 secs
Computing kpt #: 329
total cpu time spent up to now is 266.0 secs
Computing kpt #: 330
total cpu time spent up to now is 266.7 secs
Computing kpt #: 331
total cpu time spent up to now is 267.5 secs
Computing kpt #: 332
total cpu time spent up to now is 268.3 secs
Computing kpt #: 333
total cpu time spent up to now is 269.0 secs
Computing kpt #: 334
total cpu time spent up to now is 269.8 secs
Computing kpt #: 335
total cpu time spent up to now is 270.6 secs
Computing kpt #: 336
total cpu time spent up to now is 271.3 secs
Computing kpt #: 337
total cpu time spent up to now is 272.1 secs
Computing kpt #: 338
total cpu time spent up to now is 272.9 secs
Computing kpt #: 339
total cpu time spent up to now is 273.7 secs
Computing kpt #: 340
total cpu time spent up to now is 274.5 secs
Computing kpt #: 341
total cpu time spent up to now is 275.3 secs
Computing kpt #: 342
total cpu time spent up to now is 276.1 secs
Computing kpt #: 343
total cpu time spent up to now is 276.9 secs
Computing kpt #: 344
total cpu time spent up to now is 277.7 secs
Computing kpt #: 345
total cpu time spent up to now is 278.5 secs
Computing kpt #: 346
total cpu time spent up to now is 279.3 secs
Computing kpt #: 347
total cpu time spent up to now is 280.1 secs
Computing kpt #: 348
total cpu time spent up to now is 280.9 secs
Computing kpt #: 349
total cpu time spent up to now is 281.7 secs
Computing kpt #: 350
total cpu time spent up to now is 282.5 secs
Computing kpt #: 351
total cpu time spent up to now is 283.3 secs
Computing kpt #: 352
total cpu time spent up to now is 284.1 secs
Computing kpt #: 353
total cpu time spent up to now is 284.9 secs
Computing kpt #: 354
total cpu time spent up to now is 285.7 secs
Computing kpt #: 355
total cpu time spent up to now is 286.4 secs
Computing kpt #: 356
total cpu time spent up to now is 287.2 secs
Computing kpt #: 357
total cpu time spent up to now is 288.0 secs
Computing kpt #: 358
total cpu time spent up to now is 288.7 secs
Computing kpt #: 359
total cpu time spent up to now is 289.5 secs
Computing kpt #: 360
total cpu time spent up to now is 290.3 secs
Computing kpt #: 361
total cpu time spent up to now is 291.1 secs
Computing kpt #: 362
total cpu time spent up to now is 291.9 secs
Computing kpt #: 363
total cpu time spent up to now is 292.6 secs
Computing kpt #: 364
total cpu time spent up to now is 293.4 secs
Computing kpt #: 365
total cpu time spent up to now is 294.2 secs
Computing kpt #: 366
total cpu time spent up to now is 295.0 secs
Computing kpt #: 367
total cpu time spent up to now is 295.8 secs
Computing kpt #: 368
total cpu time spent up to now is 296.6 secs
Computing kpt #: 369
total cpu time spent up to now is 297.2 secs
Computing kpt #: 370
total cpu time spent up to now is 297.7 secs
Computing kpt #: 371
total cpu time spent up to now is 298.3 secs
Computing kpt #: 372
total cpu time spent up to now is 298.9 secs
Computing kpt #: 373
total cpu time spent up to now is 299.5 secs
Computing kpt #: 374
total cpu time spent up to now is 300.1 secs
Computing kpt #: 375
total cpu time spent up to now is 300.7 secs
Computing kpt #: 376
total cpu time spent up to now is 301.2 secs
Computing kpt #: 377
total cpu time spent up to now is 301.9 secs
Computing kpt #: 378
total cpu time spent up to now is 302.5 secs
Computing kpt #: 379
total cpu time spent up to now is 303.2 secs
Computing kpt #: 380
total cpu time spent up to now is 303.9 secs
Computing kpt #: 381
total cpu time spent up to now is 304.8 secs
Computing kpt #: 382
total cpu time spent up to now is 306.0 secs
Computing kpt #: 383
total cpu time spent up to now is 307.0 secs
Computing kpt #: 384
total cpu time spent up to now is 307.8 secs
Computing kpt #: 385
total cpu time spent up to now is 308.8 secs
Computing kpt #: 386
total cpu time spent up to now is 309.8 secs
Computing kpt #: 387
total cpu time spent up to now is 311.2 secs
Computing kpt #: 388
total cpu time spent up to now is 312.0 secs
Computing kpt #: 389
total cpu time spent up to now is 312.8 secs
Computing kpt #: 390
total cpu time spent up to now is 313.5 secs
Computing kpt #: 391
total cpu time spent up to now is 314.2 secs
Computing kpt #: 392
total cpu time spent up to now is 314.9 secs
Computing kpt #: 393
total cpu time spent up to now is 315.6 secs
Computing kpt #: 394
total cpu time spent up to now is 316.6 secs
Computing kpt #: 395
total cpu time spent up to now is 317.4 secs
Computing kpt #: 396
total cpu time spent up to now is 318.1 secs
Computing kpt #: 397
total cpu time spent up to now is 318.9 secs
Computing kpt #: 398
total cpu time spent up to now is 319.7 secs
Computing kpt #: 399
total cpu time spent up to now is 320.5 secs
Computing kpt #: 400
total cpu time spent up to now is 321.2 secs
Computing kpt #: 401
total cpu time spent up to now is 322.0 secs
Computing kpt #: 402
total cpu time spent up to now is 322.8 secs
Computing kpt #: 403
total cpu time spent up to now is 323.5 secs
Computing kpt #: 404
total cpu time spent up to now is 324.3 secs
Computing kpt #: 405
total cpu time spent up to now is 325.1 secs
Computing kpt #: 406
total cpu time spent up to now is 325.8 secs
Computing kpt #: 407
total cpu time spent up to now is 326.6 secs
Computing kpt #: 408
total cpu time spent up to now is 327.3 secs
Computing kpt #: 409
total cpu time spent up to now is 328.0 secs
Computing kpt #: 410
total cpu time spent up to now is 328.7 secs
Computing kpt #: 411
total cpu time spent up to now is 329.5 secs
Computing kpt #: 412
total cpu time spent up to now is 330.2 secs
Computing kpt #: 413
total cpu time spent up to now is 330.9 secs
Computing kpt #: 414
total cpu time spent up to now is 331.7 secs
Computing kpt #: 415
total cpu time spent up to now is 332.4 secs
Computing kpt #: 416
total cpu time spent up to now is 333.2 secs
Computing kpt #: 417
total cpu time spent up to now is 333.9 secs
Computing kpt #: 418
total cpu time spent up to now is 334.7 secs
Computing kpt #: 419
total cpu time spent up to now is 335.5 secs
Computing kpt #: 420
total cpu time spent up to now is 336.5 secs
ethr = 2.78E-08, avg # of iterations = 29.7
total cpu time spent up to now is 336.5 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 9685 PWs) bands (ev):
-10.1006 -10.1006 -9.0386 -9.0386 -8.5619 -8.5619 -8.3350 -8.3350
0.1513 0.1513 1.0295 1.0295 1.2158 1.2158 2.1445 2.1445
4.0219 4.0219 4.3846 4.3846 4.4190 4.4190 5.4829 5.4829
5.9633 5.9633 6.2040 6.2040 6.3012 6.3012 6.5571 6.5571
13.4724 13.4724 13.9370 13.9370 14.4132 14.4132 15.0065 15.0065
15.4241 15.4241 16.1396 16.1396
k = 0.0102-0.0000-0.0000 ( 9705 PWs) bands (ev):
-10.0999 -10.0999 -9.0380 -9.0380 -8.5612 -8.5612 -8.3344 -8.3344
0.1520 0.1520 1.0302 1.0302 1.2164 1.2164 2.1452 2.1452
4.0219 4.0219 4.3842 4.3842 4.4163 4.4163 5.4769 5.4769
5.9605 5.9605 6.1986 6.1986 6.2960 6.2960 6.5572 6.5572
13.4736 13.4736 13.9435 13.9435 14.4224 14.4224 15.0097 15.0097
15.4248 15.4248 16.1441 16.1441
k = 0.0204-0.0000-0.0000 ( 9693 PWs) bands (ev):
-10.0977 -10.0977 -9.0362 -9.0362 -8.5592 -8.5592 -8.3324 -8.3324
0.1542 0.1542 1.0325 1.0325 1.2181 1.2181 2.1471 2.1471
4.0218 4.0218 4.3824 4.3824 4.4084 4.4084 5.4590 5.4590
5.9520 5.9520 6.1826 6.1826 6.2806 6.2806 6.5572 6.5572
13.4775 13.4775 13.9630 13.9630 14.4496 14.4496 15.0197 15.0197
15.4269 15.4269 16.1577 16.1577
k = 0.0306-0.0000-0.0000 ( 9693 PWs) bands (ev):
-10.0940 -10.0940 -9.0332 -9.0332 -8.5557 -8.5557 -8.3291 -8.3291
0.1579 0.1579 1.0363 1.0363 1.2210 1.2210 2.1503 2.1503
4.0216 4.0216 4.3769 4.3769 4.3976 4.3976 5.4301 5.4301
5.9375 5.9375 6.1564 6.1564 6.2554 6.2554 6.5574 6.5574
13.4839 13.4839 13.9954 13.9954 14.4937 14.4937 15.0369 15.0369
15.4306 15.4306 16.1799 16.1799
k = 0.0408-0.0000-0.0000 ( 9697 PWs) bands (ev):
-10.0888 -10.0888 -9.0290 -9.0290 -8.5510 -8.5510 -8.3245 -8.3245
0.1630 0.1630 1.0416 1.0416 1.2250 1.2250 2.1548 2.1548
4.0209 4.0209 4.3613 4.3613 4.3902 4.3902 5.3916 5.3916
5.9165 5.9165 6.1206 6.1206 6.2208 6.2208 6.5577 6.5577
13.4928 13.4928 14.0404 14.0404 14.5528 14.5528 15.0625 15.0625
15.4358 15.4358 16.2097 16.2097
k = 0.0510-0.0000-0.0000 ( 9709 PWs) bands (ev):
-10.0821 -10.0821 -9.0236 -9.0236 -8.5448 -8.5448 -8.3185 -8.3185
0.1695 0.1695 1.0484 1.0484 1.2302 1.2302 2.1605 2.1605
4.0192 4.0192 4.3347 4.3347 4.3866 4.3866 5.3449 5.3449
5.8884 5.8884 6.0762 6.0762 6.1774 6.1774 6.5582 6.5582
13.5042 13.5042 14.0974 14.0974 14.6243 14.6243 15.0979 15.0979
15.4430 15.4430 16.2448 16.2448
k = 0.0612-0.0000-0.0000 ( 9709 PWs) bands (ev):
-10.0741 -10.0741 -9.0170 -9.0170 -8.5374 -8.5374 -8.3114 -8.3114
0.1775 0.1775 1.0566 1.0566 1.2364 1.2364 2.1674 2.1674
4.0158 4.0158 4.3002 4.3002 4.3839 4.3839 5.2918 5.2918
5.8523 5.8523 6.0249 6.0249 6.1260 6.1260 6.5590 6.5590
13.5180 13.5180 14.1654 14.1654 14.7048 14.7048 15.1452 15.1452
15.4526 15.4526 16.2815 16.2815
k = 0.0714-0.0000-0.0000 ( 9717 PWs) bands (ev):
-10.0646 -10.0646 -9.0093 -9.0093 -8.5286 -8.5286 -8.3029 -8.3029
0.1869 0.1869 1.0662 1.0662 1.2437 1.2437 2.1756 2.1756
4.0095 4.0095 4.2590 4.2590 4.3810 4.3810 5.2339 5.2339
5.8071 5.8071 5.9686 5.9686 6.0675 6.0675 6.5602 6.5602
13.5342 13.5342 14.2427 14.2427 14.7911 14.7911 15.2059 15.2059
15.4663 15.4663 16.3137 16.3137
k = 0.0816-0.0000-0.0000 ( 9727 PWs) bands (ev):
-10.0537 -10.0537 -9.0005 -9.0005 -8.5185 -8.5185 -8.2932 -8.2932
0.1977 0.1977 1.0773 1.0773 1.2520 1.2520 2.1849 2.1849
3.9978 3.9978 4.2131 4.2131 4.3775 4.3775 5.1726 5.1726
5.7516 5.7516 5.9095 5.9095 6.0034 6.0034 6.5619 6.5619
13.5527 13.5527 14.3268 14.3268 14.8803 14.8803 15.2790 15.2790
15.4878 15.4878 16.2277 16.2277
k = 0.0918-0.0000-0.0000 ( 9727 PWs) bands (ev):
-10.0414 -10.0414 -8.9906 -8.9906 -8.5072 -8.5072 -8.2823 -8.2823
0.2098 0.2098 1.0897 1.0897 1.2612 1.2612 2.1954 2.1954
3.9765 3.9765 4.1657 4.1657 4.3733 4.3733 5.1094 5.1094
5.6849 5.6849 5.8493 5.8493 5.9355 5.9355 6.5641 6.5641
13.5735 13.5735 14.4146 14.4146 14.9716 14.9716 15.3543 15.3543
15.5285 15.5285 16.0441 16.0441
k = 0.1020-0.0000-0.0000 ( 9719 PWs) bands (ev):
-10.0278 -10.0278 -8.9796 -8.9796 -8.4947 -8.4947 -8.2702 -8.2702
0.2232 0.2232 1.1034 1.1034 1.2715 1.2715 2.2070 2.2070
3.9397 3.9397 4.1222 4.1222 4.3681 4.3681 5.0455 5.0455
5.6074 5.6074 5.7873 5.7873 5.8672 5.8672 6.5670 6.5670
13.5964 13.5964 14.5025 14.5025 15.0665 15.0665 15.4110 15.4110
15.6085 15.6085 15.8580 15.8580
k = 0.1122-0.0000-0.0000 ( 9723 PWs) bands (ev):
-10.0128 -10.0128 -8.9676 -8.9676 -8.4809 -8.4809 -8.2570 -8.2570
0.2379 0.2379 1.1183 1.1183 1.2825 1.2825 2.2197 2.2197
3.8830 3.8830 4.0863 4.0863 4.3617 4.3617 4.9819 4.9819
5.5204 5.5204 5.7205 5.7205 5.8033 5.8033 6.5704 6.5704
13.6215 13.6215 14.5868 14.5868 15.1669 15.1669 15.4453 15.4453
15.6702 15.6702 15.7303 15.7303
k = 0.1224-0.0000-0.0000 ( 9723 PWs) bands (ev):
-9.9966 -9.9966 -8.9546 -8.9546 -8.4660 -8.4660 -8.2426 -8.2426
0.2538 0.2538 1.1345 1.1345 1.2944 1.2944 2.2334 2.2334
3.8080 3.8080 4.0558 4.0558 4.3539 4.3539 4.9194 4.9194
5.4257 5.4257 5.6466 5.6466 5.7471 5.7471 6.5743 6.5743
13.6488 13.6488 14.6649 14.6649 15.2721 15.2721 15.4707 15.4707
15.4856 15.4856 15.8745 15.8745
k = 0.1327-0.0000-0.0000 ( 9727 PWs) bands (ev):
-9.9791 -9.9791 -8.9406 -8.9406 -8.4499 -8.4499 -8.2272 -8.2272
0.2710 0.2710 1.1517 1.1517 1.3070 1.3070 2.2481 2.2481
3.7192 3.7192 4.0255 4.0255 4.3443 4.3443 4.8593 4.8593
5.3250 5.3250 5.5675 5.5675 5.6984 5.6984 6.5788 6.5788
13.6781 13.6781 14.7356 14.7356 15.2970 15.2970 15.3754 15.3754
15.5044 15.5044 16.0209 16.0209
k = 0.1429-0.0000-0.0000 ( 9729 PWs) bands (ev):
-9.9604 -9.9604 -8.9258 -8.9258 -8.4328 -8.4328 -8.2107 -8.2107
0.2892 0.2892 1.1700 1.1700 1.3203 1.3203 2.2636 2.2636
3.6204 3.6204 3.9910 3.9910 4.3321 4.3321 4.8026 4.8026
5.2197 5.2197 5.4864 5.4864 5.6557 5.6557 6.5837 6.5837
13.7094 13.7094 14.7993 14.7993 15.1147 15.1147 15.4411 15.4411
15.5696 15.5696 15.9905 15.9905
k = 0.1531-0.0000-0.0000 ( 9729 PWs) bands (ev):
-9.9406 -9.9406 -8.9101 -8.9101 -8.4147 -8.4147 -8.1933 -8.1933
0.3086 0.3086 1.1891 1.1891 1.3342 1.3342 2.2800 2.2800
3.5145 3.5145 3.9495 3.9495 4.3161 4.3161 4.7508 4.7508
5.1108 5.1108 5.4063 5.4063 5.6176 5.6176 6.5890 6.5890
13.7428 13.7428 14.8565 14.8565 14.9336 14.9336 15.4683 15.4683
15.6608 15.6608 15.8799 15.8799
k = 0.1633-0.0000-0.0000 ( 9713 PWs) bands (ev):
-9.9197 -9.9197 -8.8936 -8.8936 -8.3955 -8.3955 -8.1749 -8.1749
0.3289 0.3289 1.2091 1.2091 1.3485 1.3485 2.2970 2.2970
3.4033 3.4033 3.8993 3.8993 4.2943 4.2943 4.7057 4.7057
4.9995 4.9995 5.3297 5.3297 5.5837 5.5837 6.5946 6.5946
13.7781 13.7781 14.7543 14.7543 14.9096 14.9096 15.4768 15.4768
15.7202 15.7202 15.7847 15.7847
k = 0.1735-0.0000-0.0000 ( 9721 PWs) bands (ev):
-9.8978 -9.8978 -8.8764 -8.8764 -8.3755 -8.3755 -8.1557 -8.1557
0.3502 0.3502 1.2298 1.2298 1.3631 1.3631 2.3145 2.3145
3.2885 3.2885 3.8399 3.8399 4.2641 4.2641 4.6689 4.6689
4.8863 4.8863 5.2585 5.2585 5.5533 5.5533 6.6005 6.6005
13.8152 13.8152 14.5784 14.5784 14.9577 14.9577 15.4624 15.4624
15.6483 15.6483 15.7971 15.7971
k = 0.1837-0.0000-0.0000 ( 9717 PWs) bands (ev):
-9.8749 -9.8749 -8.8585 -8.8585 -8.3546 -8.3546 -8.1357 -8.1357
0.3724 0.3724 1.2510 1.2510 1.3780 1.3780 2.3323 2.3323
3.1714 3.1714 3.7714 3.7714 4.2234 4.2234 4.6418 4.6418
4.7723 4.7723 5.1944 5.1944 5.5263 5.5263 6.6065 6.6065
13.8543 13.8543 14.4056 14.4056 15.0014 15.0014 15.3979 15.3979
15.5934 15.5934 15.7908 15.7908
k = 0.1939-0.0000-0.0000 ( 9719 PWs) bands (ev):
-9.8511 -9.8511 -8.8400 -8.8400 -8.3329 -8.3329 -8.1149 -8.1149
0.3954 0.3954 1.2726 1.2726 1.3930 1.3930 2.3499 2.3499
3.0536 3.0536 3.6947 3.6947 4.1708 4.1708 4.6224 4.6224
4.6602 4.6602 5.1385 5.1385 5.5021 5.5021 6.6127 6.6127
13.8950 13.8950 14.2362 14.2362 15.0395 15.0395 15.2891 15.2891
15.5772 15.5772 15.7493 15.7493
k = 0.2041-0.0000-0.0000 ( 9715 PWs) bands (ev):
-9.8264 -9.8264 -8.8209 -8.8209 -8.3104 -8.3104 -8.0934 -8.0934
0.4191 0.4191 1.2944 1.2944 1.4080 1.4080 2.3666 2.3666
2.9365 2.9365 3.6112 3.6112 4.1066 4.1066 4.5395 4.5395
4.6208 4.6208 5.0911 5.0911 5.4805 5.4805 6.6189 6.6189
13.9375 13.9375 14.0705 14.0705 15.0688 15.0688 15.1655 15.1655
15.5683 15.5683 15.6941 15.6941
k = 0.2143-0.0000-0.0000 ( 9711 PWs) bands (ev):
-9.8010 -9.8010 -8.8014 -8.8014 -8.2873 -8.2873 -8.0714 -8.0714
0.4435 0.4435 1.3160 1.3160 1.4227 1.4227 2.3809 2.3809
2.8226 2.8226 3.5222 3.5222 4.0325 4.0325 4.4258 4.4258
4.6204 4.6204 5.0519 5.0519 5.4610 5.4610 6.6252 6.6252
13.9087 13.9087 13.9816 13.9816 15.0386 15.0386 15.0831 15.0831
15.5449 15.5449 15.6467 15.6467
k = 0.2245-0.0000-0.0000 ( 9711 PWs) bands (ev):
-9.7749 -9.7749 -8.7815 -8.7815 -8.2637 -8.2637 -8.0488 -8.0488
0.4684 0.4684 1.3373 1.3373 1.4369 1.4369 2.3891 2.3891
2.7162 2.7162 3.4292 3.4292 3.9504 3.9504 4.3124 4.3124
4.6266 4.6266 5.0203 5.0203 5.4434 5.4434 6.6313 6.6313
13.7509 13.7509 14.0271 14.0271 14.9127 14.9127 15.0723 15.0723
15.4838 15.4838 15.5385 15.5385
k = 0.2347-0.0000-0.0000 ( 9703 PWs) bands (ev):
-9.7482 -9.7482 -8.7613 -8.7613 -8.2395 -8.2395 -8.0258 -8.0258
0.4937 0.4937 1.3579 1.3579 1.4506 1.4506 2.3818 2.3818
2.6274 2.6274 3.3336 3.3336 3.8626 3.8626 4.2001 4.2001
4.6375 4.6375 4.9953 4.9953 5.4273 5.4273 6.6374 6.6374
13.5974 13.5974 14.0737 14.0737 14.7893 14.7893 15.0290 15.0290
15.3546 15.3546 15.5126 15.5127
k = 0.2449-0.0000-0.0000 ( 9697 PWs) bands (ev):
-9.7209 -9.7209 -8.7408 -8.7408 -8.2150 -8.2150 -8.0025 -8.0025
0.5193 0.5193 1.3772 1.3772 1.4633 1.4633 2.3418 2.3418
2.5743 2.5743 3.2365 3.2365 3.7708 3.7708 4.0896 4.0896
4.6518 4.6518 4.9759 4.9759 5.4124 5.4124 6.6433 6.6433
13.4483 13.4483 14.1209 14.1209 14.6699 14.6699 14.9566 14.9566
15.2167 15.2167 15.5217 15.5217
k = 0.2551-0.0000-0.0000 ( 9700 PWs) bands (ev):
-9.6933 -9.6933 -8.7202 -8.7202 -8.1901 -8.1901 -7.9788 -7.9788
0.5451 0.5451 1.3946 1.3946 1.4750 1.4750 2.2665 2.2665
2.5600 2.5600 3.1392 3.1392 3.6769 3.6769 3.9814 3.9814
4.6686 4.6686 4.9611 4.9611 5.3985 5.3985 6.6489 6.6489
13.3038 13.3038 14.1673 14.1673 14.5562 14.5562 14.8658 14.8658
15.0800 15.0800 15.5500 15.5500
k = 0.2653-0.0000-0.0000 ( 9696 PWs) bands (ev):
-9.6654 -9.6654 -8.6995 -8.6995 -8.1650 -8.1650 -7.9550 -7.9550
0.5710 0.5710 1.4091 1.4091 1.4854 1.4854 2.1751 2.1751
2.5665 2.5665 3.0427 3.0427 3.5822 3.5822 3.8759 3.8759
4.6872 4.6872 4.9501 4.9501 5.3854 5.3854 6.6542 6.6542
13.1640 13.1640 14.2086 14.2086 14.4530 14.4530 14.7659 14.7659
14.9457 14.9457 15.5889 15.5889
k = 0.2755-0.0000-0.0000 ( 9702 PWs) bands (ev):
-9.6373 -9.6373 -8.6789 -8.6789 -8.1399 -8.1399 -7.9311 -7.9311
0.5968 0.5968 1.4193 1.4193 1.4945 1.4945 2.0809 2.0809
2.5816 2.5816 2.9481 2.9481 3.4878 3.4878 3.7735 3.7735
4.7070 4.7070 4.9423 4.9423 5.3729 5.3729 6.6593 6.6593
13.0290 13.0290 14.2247 14.2247 14.3803 14.3803 14.6624 14.6624
14.8146 14.8146 15.6288 15.6288
k = 0.2857-0.0000-0.0000 ( 9714 PWs) bands (ev):
-9.6090 -9.6090 -8.6584 -8.6584 -8.1146 -8.1146 -7.9073 -7.9073
0.6224 0.6224 1.4229 1.4229 1.5024 1.5024 1.9904 1.9904
2.6001 2.6001 2.8565 2.8565 3.3950 3.3950 3.6747 3.6747
4.7275 4.7275 4.9373 4.9373 5.3609 5.3609 6.6640 6.6640
12.8990 12.8990 14.1750 14.1750 14.3785 14.3785 14.5590 14.5590
14.6871 14.6871 15.6540 15.6540
k = 0.2959-0.0000-0.0000 ( 9718 PWs) bands (ev):
-9.5808 -9.5808 -8.6381 -8.6381 -8.0895 -8.0895 -7.8835 -7.8835
0.6477 0.6477 1.4170 1.4170 1.5095 1.5095 1.9076 1.9076
2.6197 2.6197 2.7694 2.7694 3.3044 3.3044 3.5799 3.5799
4.7481 4.7481 4.9347 4.9347 5.3492 5.3492 6.6682 6.6682
12.7742 12.7742 14.0896 14.0896 14.4116 14.4116 14.4631 14.4631
14.5640 14.5640 15.6630 15.6630
k = 0.3061-0.0000-0.0000 ( 9718 PWs) bands (ev):
-9.5528 -9.5528 -8.6181 -8.6181 -8.0646 -8.0646 -7.8600 -7.8600
0.6725 0.6725 1.3987 1.3987 1.5156 1.5156 1.8358 1.8358
2.6346 2.6346 2.6923 2.6923 3.2171 3.2171 3.4894 3.4894
4.7683 4.7683 4.9345 4.9345 5.3376 5.3376 6.6721 6.6721
12.6546 12.6546 13.9993 13.9993 14.3502 14.3502 14.4398 14.4398
14.4802 14.4802 15.6652 15.6652
k = 0.3163-0.0000-0.0000 ( 9724 PWs) bands (ev):
-9.5250 -9.5250 -8.5985 -8.5985 -8.0400 -8.0400 -7.8368 -7.8368
0.6967 0.6967 1.3663 1.3663 1.5205 1.5205 1.7772 1.7772
2.5961 2.5961 2.6743 2.6743 3.1336 3.1336 3.4037 3.4037
4.7873 4.7873 4.9366 4.9366 5.3263 5.3263 6.6756 6.6756
12.5404 12.5404 13.9109 13.9109 14.2548 14.2548 14.3280 14.3281
14.5304 14.5304 15.6635 15.6635
k = 0.3265-0.0000-0.0000 ( 9742 PWs) bands (ev):
-9.4976 -9.4976 -8.5794 -8.5794 -8.0158 -8.0158 -7.8141 -7.8141
0.7201 0.7201 1.3202 1.3202 1.5234 1.5234 1.7315 1.7315
2.5271 2.5271 2.6927 2.6927 3.0548 3.0548 3.3229 3.3229
4.8046 4.8046 4.9413 4.9413 5.3151 5.3151 6.6786 6.6786
12.4317 12.4317 13.8263 13.8263 14.1617 14.1617 14.2186 14.2186
14.5865 14.5865 15.6586 15.6586
k = 0.3367-0.0000-0.0000 ( 9738 PWs) bands (ev):
-9.4708 -9.4708 -8.5609 -8.5609 -7.9922 -7.9922 -7.7919 -7.7919
0.7425 0.7425 1.2637 1.2637 1.5235 1.5235 1.6962 1.6962
2.4619 2.4619 2.7135 2.7135 2.9814 2.9814 3.2476 3.2476
4.8196 4.8196 4.9489 4.9489 5.3039 5.3039 6.6812 6.6812
12.3286 12.3286 13.7461 13.7461 14.0721 14.0721 14.1144 14.1144
14.6441 14.6441 15.6506 15.6506
k = 0.3469-0.0000-0.0000 ( 9726 PWs) bands (ev):
-9.4446 -9.4446 -8.5430 -8.5430 -7.9692 -7.9692 -7.7703 -7.7703
0.7639 0.7639 1.2008 1.2008 1.5200 1.5200 1.6678 1.6678
2.4029 2.4029 2.7341 2.7341 2.9142 2.9142 3.1778 3.1778
4.8317 4.8317 4.9594 4.9594 5.2928 5.2928 6.6833 6.6833
12.2312 12.2312 13.6706 13.6706 13.9857 13.9857 14.0167 14.0167
14.7023 14.7023 15.6397 15.6397
k = 0.3571-0.0000-0.0000 ( 9726 PWs) bands (ev):
-9.4192 -9.4192 -8.5259 -8.5259 -7.9470 -7.9470 -7.7496 -7.7496
0.7840 0.7840 1.1352 1.1352 1.5120 1.5120 1.6439 1.6439
2.3505 2.3505 2.7530 2.7530 2.8546 2.8546 3.1139 3.1139
4.8409 4.8409 4.9724 4.9724 5.2819 5.2819 6.6850 6.6850
12.1396 12.1396 13.6000 13.6000 13.9011 13.9011 13.9273 13.9273
14.7607 14.7607 15.6259 15.6259
k = 0.3673-0.0000-0.0000 ( 9714 PWs) bands (ev):
-9.3948 -9.3948 -8.5096 -8.5096 -7.9257 -7.9257 -7.7297 -7.7297
0.8027 0.8027 1.0695 1.0695 1.4988 1.4988 1.6231 1.6231
2.3043 2.3043 2.7642 2.7642 2.8085 2.8085 3.0562 3.0562
4.8476 4.8476 4.9876 4.9876 5.2711 5.2711 6.6864 6.6864
12.0539 12.0539 13.5344 13.5344 13.8174 13.8174 13.8475 13.8475
14.8188 14.8188 15.6095 15.6095
k = 0.3776-0.0000-0.0000 ( 9704 PWs) bands (ev):
-9.3714 -9.3714 -8.4942 -8.4942 -7.9054 -7.9054 -7.7108 -7.7108
0.8200 0.8200 1.0057 1.0057 1.4800 1.4800 1.6052 1.6052
2.2637 2.2637 2.7413 2.7413 2.8022 2.8022 3.0049 3.0049
4.8523 4.8523 5.0040 5.0040 5.2605 5.2605 6.6873 6.6873
11.9742 11.9742 13.4737 13.4737 13.7365 13.7365 13.7760 13.7760
14.8761 14.8761 15.5910 15.5910
k = 0.3878-0.0000-0.0000 ( 9700 PWs) bands (ev):
-9.3493 -9.3493 -8.4798 -8.4798 -7.8862 -7.8862 -7.6929 -7.6929
0.8356 0.8356 0.9448 0.9448 1.4561 1.4561 1.5898 1.5898
2.2276 2.2276 2.7053 2.7053 2.8138 2.8138 2.9610 2.9610
4.8554 4.8554 5.0210 5.0210 5.2502 5.2502 6.6879 6.6879
11.9006 11.9006 13.4181 13.4181 13.6601 13.6601 13.7109 13.7109
14.9323 14.9323 15.5709 15.5709
k = 0.3980-0.0000-0.0000 ( 9692 PWs) bands (ev):
-9.3286 -9.3286 -8.4664 -8.4664 -7.8683 -7.8683 -7.6763 -7.6763
0.8492 0.8492 0.8881 0.8881 1.4286 1.4286 1.5764 1.5764
2.1954 2.1954 2.6740 2.6740 2.8226 2.8226 2.9266 2.9266
4.8574 4.8574 5.0379 5.0379 5.2403 5.2403 6.6883 6.6883
11.8332 11.8332 13.3675 13.3675 13.5893 13.5893 13.6518 13.6518
14.9868 14.9868 15.5497 15.5497
k = 0.4082-0.0000-0.0000 ( 9704 PWs) bands (ev):
-9.3093 -9.3093 -8.4541 -8.4541 -7.8517 -7.8517 -7.6609 -7.6609
0.8336 0.8336 0.8634 0.8634 1.3991 1.3991 1.5643 1.5643
2.1663 2.1663 2.6490 2.6490 2.8216 2.8216 2.9065 2.9065
4.8586 4.8586 5.0544 5.0544 5.2309 5.2309 6.6883 6.6883
11.7719 11.7719 13.3218 13.3218 13.5246 13.5246 13.5984 13.5984
15.0390 15.0390 15.5281 15.5281
k = 0.4184-0.0000-0.0000 ( 9696 PWs) bands (ev):
-9.2917 -9.2917 -8.4430 -8.4430 -7.8366 -7.8366 -7.6469 -7.6469
0.7863 0.7863 0.8736 0.8736 1.3692 1.3692 1.5533 1.5533
2.1400 2.1400 2.6300 2.6300 2.8080 2.8080 2.9028 2.9028
4.8592 4.8592 5.0699 5.0699 5.2221 5.2221 6.6882 6.6882
11.7170 11.7170 13.2811 13.2811 13.4661 13.4661 13.5506 13.5506
15.0885 15.0885 15.5069 15.5069
k = 0.4286-0.0000-0.0000 ( 9698 PWs) bands (ev):
-9.2759 -9.2759 -8.4330 -8.4330 -7.8230 -7.8230 -7.6343 -7.6343
0.7435 0.7435 0.8826 0.8826 1.3403 1.3403 1.5431 1.5431
2.1163 2.1163 2.6162 2.6162 2.7884 2.7884 2.9082 2.9082
4.8594 4.8594 5.0842 5.0842 5.2139 5.2139 6.6879 6.6879
11.6684 11.6684 13.2454 13.2454 13.4140 13.4140 13.5084 13.5084
15.1345 15.1345 15.4865 15.4865
k = 0.4388-0.0000-0.0000 ( 9698 PWs) bands (ev):
-9.2619 -9.2619 -8.4243 -8.4243 -7.8110 -7.8110 -7.6232 -7.6232
0.7060 0.7060 0.8902 0.8902 1.3135 1.3135 1.5338 1.5338
2.0953 2.0953 2.6067 2.6067 2.7686 2.7686 2.9165 2.9165
4.8594 4.8594 5.0971 5.0971 5.2066 5.2066 6.6876 6.6876
11.6262 11.6262 13.2145 13.2145 13.3687 13.3687 13.4718 13.4718
15.1763 15.1763 15.4677 15.4677
k = 0.4490-0.0000-0.0000 ( 9692 PWs) bands (ev):
-9.2498 -9.2498 -8.4169 -8.4169 -7.8007 -7.8007 -7.6138 -7.6138
0.6740 0.6740 0.8964 0.8964 1.2896 1.2896 1.5255 1.5255
2.0771 2.0771 2.6007 2.6007 2.7509 2.7509 2.9250 2.9250
4.8592 4.8592 5.1083 5.1083 5.2002 5.2002 6.6872 6.6872
11.5904 11.5904 13.1884 13.1884 13.3300 13.3300 13.4408 13.4408
15.2133 15.2133 15.4509 15.4509
k = 0.4592-0.0000-0.0000 ( 9694 PWs) bands (ev):
-9.2399 -9.2399 -8.4108 -8.4108 -7.7922 -7.7922 -7.6059 -7.6059
0.6476 0.6476 0.9012 0.9012 1.2692 1.2692 1.5184 1.5184
2.0620 2.0620 2.5971 2.5971 2.7361 2.7361 2.9327 2.9327
4.8589 4.8589 5.1177 5.1177 5.1948 5.1948 6.6868 6.6868
11.5610 11.5610 13.1672 13.1672 13.2983 13.2983 13.4155 13.4155
15.2448 15.2448 15.4366 15.4366
k = 0.4694-0.0000-0.0000 ( 9686 PWs) bands (ev):
-9.2320 -9.2320 -8.4060 -8.4060 -7.7856 -7.7856 -7.5998 -7.5998
0.6270 0.6270 0.9048 0.9048 1.2529 1.2529 1.5127 1.5127
2.0501 2.0501 2.5952 2.5952 2.7244 2.7244 2.9389 2.9389
4.8586 4.8586 5.1252 5.1252 5.1905 5.1905 6.6864 6.6864
11.5382 11.5382 13.1507 13.1507 13.2735 13.2735 13.3957 13.3957
15.2701 15.2701 15.4251 15.4251
k = 0.4796-0.0000-0.0000 ( 9682 PWs) bands (ev):
-9.2264 -9.2264 -8.4026 -8.4026 -7.7808 -7.7808 -7.5954 -7.5954
0.6122 0.6122 0.9073 0.9073 1.2410 1.2410 1.5084 1.5084
2.0415 2.0415 2.5944 2.5944 2.7160 2.7160 2.9435 2.9435
4.8584 4.8584 5.1306 5.1306 5.1874 5.1874 6.6861 6.6861
11.5219 11.5219 13.1389 13.1389 13.2557 13.2557 13.3816 13.3816
15.2887 15.2887 15.4167 15.4167
k = 0.4898-0.0000-0.0000 ( 9670 PWs) bands (ev):
-9.2230 -9.2230 -8.4006 -8.4006 -7.7779 -7.7779 -7.5927 -7.5927
0.6033 0.6033 0.9088 0.9088 1.2338 1.2338 1.5058 1.5058
2.0363 2.0363 2.5942 2.5942 2.7109 2.7109 2.9463 2.9463
4.8582 4.8582 5.1338 5.1338 5.1855 5.1855 6.6859 6.6859
11.5121 11.5121 13.1319 13.1319 13.2451 13.2451 13.3732 13.3732
15.3000 15.3000 15.4116 15.4116
k = 0.5000-0.0000-0.0000 ( 9654 PWs) bands (ev):
-9.2218 -9.2218 -8.3999 -8.3999 -7.7769 -7.7769 -7.5918 -7.5918
0.6003 0.6003 0.9092 0.9092 1.2314 1.2314 1.5050 1.5050
2.0346 2.0346 2.5941 2.5941 2.7092 2.7092 2.9473 2.9473
4.8582 4.8582 5.1349 5.1349 5.1849 5.1849 6.6859 6.6859
11.5088 11.5088 13.1295 13.1295 13.2415 13.2415 13.3704 13.3704
15.3038 15.3038 15.4099 15.4099
k = 0.5000-0.0000-0.0000 ( 9654 PWs) bands (ev):
-9.2218 -9.2218 -8.3999 -8.3999 -7.7769 -7.7769 -7.5918 -7.5918
0.6003 0.6003 0.9092 0.9092 1.2314 1.2314 1.5050 1.5050
2.0346 2.0346 2.5942 2.5942 2.7092 2.7092 2.9473 2.9473
4.8582 4.8582 5.1349 5.1349 5.1849 5.1849 6.6859 6.6859
11.5088 11.5088 13.1295 13.1295 13.2415 13.2415 13.3704 13.3704
15.3038 15.3038 15.4099 15.4099
k = 0.5000 0.0103-0.0000 ( 9684 PWs) bands (ev):
-9.2209 -9.2209 -8.3993 -8.3993 -7.7784 -7.7784 -7.5925 -7.5925
0.6012 0.6012 0.9117 0.9117 1.2303 1.2303 1.5035 1.5035
2.0350 2.0350 2.5835 2.5835 2.7195 2.7195 2.9492 2.9492
4.8568 4.8568 5.1375 5.1375 5.1850 5.1850 6.6823 6.6823
11.5128 11.5128 13.0962 13.0962 13.2781 13.2781 13.3673 13.3673
15.3044 15.3044 15.4098 15.4098
k = 0.5000 0.0206-0.0000 ( 9684 PWs) bands (ev):
-9.2182 -9.2182 -8.3975 -8.3975 -7.7829 -7.7829 -7.5945 -7.5945
0.6037 0.6037 0.9189 0.9189 1.2272 1.2272 1.4993 1.4993
2.0360 2.0360 2.5595 2.5595 2.7410 2.7410 2.9567 2.9567
4.8527 4.8527 5.1453 5.1453 5.1856 5.1856 6.6716 6.6716
11.5248 11.5248 13.0383 13.0383 13.3435 13.3435 13.3605 13.3605
15.3062 15.3062 15.4099 15.4099
k = 0.5000 0.0310-0.0000 ( 9696 PWs) bands (ev):
-9.2137 -9.2137 -8.3946 -8.3946 -7.7904 -7.7904 -7.5979 -7.5979
0.6079 0.6079 0.9308 0.9308 1.2219 1.2219 1.4928 1.4928
2.0376 2.0376 2.5312 2.5312 2.7601 2.7601 2.9742 2.9742
4.8456 4.8456 5.1578 5.1578 5.1868 5.1868 6.6538 6.6538
11.5448 11.5448 12.9782 12.9782 13.3402 13.3402 13.4250 13.4250
15.3093 15.3093 15.4118 15.4118
k = 0.5000 0.0413-0.0000 ( 9700 PWs) bands (ev):
-9.2075 -9.2075 -8.3905 -8.3905 -7.8007 -7.8007 -7.6026 -7.6026
0.6138 0.6138 0.9472 0.9472 1.2146 1.2146 1.4847 1.4847
2.0397 2.0397 2.5021 2.5021 2.7685 2.7685 3.0064 3.0064
4.8353 4.8353 5.1733 5.1733 5.1901 5.1901 6.6294 6.6294
11.5727 11.5727 12.9196 12.9196 13.3178 13.3178 13.5074 13.5074
15.3138 15.3138 15.4174 15.4174
k = 0.5000 0.0516-0.0000 ( 9698 PWs) bands (ev):
-9.1994 -9.1994 -8.3852 -8.3852 -7.8139 -7.8139 -7.6087 -7.6087
0.6214 0.6214 0.9675 0.9675 1.2053 1.2053 1.4755 1.4755
2.0422 2.0422 2.4735 2.4735 2.7647 2.7647 3.0538 3.0538
4.8216 4.8216 5.1833 5.1833 5.2035 5.2035 6.5984 6.5984
11.6085 11.6085 12.8634 12.8634 13.2889 13.2889 13.5945 13.5945
15.3198 15.3198 15.4289 15.4289
k = 0.5000 0.0619-0.0000 ( 9686 PWs) bands (ev):
-9.1896 -9.1896 -8.3787 -8.3787 -7.8299 -7.8299 -7.6160 -7.6160
0.6306 0.6306 0.9914 0.9914 1.1944 1.1944 1.4660 1.4660
2.0450 2.0450 2.4457 2.4457 2.7512 2.7512 3.1137 3.1137
4.8044 4.8044 5.1864 5.1864 5.2277 5.2277 6.5614 6.5614
11.6519 11.6519 12.8098 12.8098 13.2539 13.2539 13.6858 13.6858
15.3276 15.3276 15.4481 15.4481
k = 0.5000 0.0723-0.0000 ( 9692 PWs) bands (ev):
-9.1781 -9.1781 -8.3712 -8.3712 -7.8485 -7.8485 -7.6246 -7.6246
0.6414 0.6414 1.0178 1.0178 1.1824 1.1824 1.4565 1.4565
2.0481 2.0481 2.4189 2.4189 2.7311 2.7311 3.1829 3.1829
4.7834 4.7834 5.1886 5.1886 5.2562 5.2562 6.5188 6.5188
11.7029 11.7029 12.7587 12.7587 13.2132 13.2132 13.7810 13.7810
15.3375 15.3375 15.4764 15.4764
k = 0.5000 0.0826-0.0000 ( 9688 PWs) bands (ev):
-9.1648 -9.1648 -8.3625 -8.3625 -7.8696 -7.8696 -7.6344 -7.6344
0.6538 0.6538 1.0453 1.0453 1.1708 1.1708 1.4472 1.4472
2.0517 2.0517 2.3931 2.3931 2.7070 2.7070 3.2594 3.2594
4.7587 4.7587 5.1907 5.1907 5.2871 5.2871 6.4712 6.4712
11.7613 11.7613 12.7103 12.7103 13.1675 13.1675 13.8801 13.8801
15.3497 15.3497 15.5147 15.5147
k = 0.5000 0.0929-0.0000 ( 9696 PWs) bands (ev):
-9.1498 -9.1498 -8.3528 -8.3528 -7.8931 -7.8931 -7.6454 -7.6454
0.6678 0.6678 1.0705 1.0705 1.1627 1.1627 1.4383 1.4383
2.0557 2.0557 2.3686 2.3686 2.6805 2.6805 3.3415 3.3415
4.7302 4.7302 5.1931 5.1931 5.3191 5.3191 6.4191 6.4191
11.8269 11.8269 12.6645 12.6645 13.1177 13.1177 13.9827 13.9827
15.3644 15.3644 15.5409 15.5409
k = 0.5000 0.1032-0.0000 ( 9700 PWs) bands (ev):
-9.1331 -9.1331 -8.3419 -8.3419 -7.9190 -7.9190 -7.6576 -7.6576
0.6833 0.6833 1.0858 1.0858 1.1652 1.1652 1.4295 1.4295
2.0603 2.0603 2.3458 2.3458 2.6530 2.6530 3.4285 3.4285
4.6977 4.6977 5.1958 5.1958 5.3513 5.3513 6.3631 6.3631
11.8995 11.8995 12.6212 12.6212 13.0646 13.0646 14.0888 14.0888
15.3778 15.3778 15.4101 15.4101
k = 0.5000 0.1136-0.0000 ( 9692 PWs) bands (ev):
-9.1148 -9.1148 -8.3301 -8.3301 -7.9469 -7.9469 -7.6709 -7.6709
0.7003 0.7003 1.0857 1.0857 1.1835 1.1835 1.4206 1.4206
2.0654 2.0654 2.3252 2.3252 2.6258 2.6258 3.5193 3.5193
4.6612 4.6612 5.1990 5.1990 5.3826 5.3826 6.3041 6.3041
11.9789 11.9789 12.5805 12.5805 13.0092 13.0092 14.1980 14.1980
15.2711 15.2711 15.4070 15.4070
k = 0.5000 0.1239-0.0000 ( 9698 PWs) bands (ev):
-9.0948 -9.0948 -8.3172 -8.3172 -7.9768 -7.9768 -7.6853 -7.6853
0.7187 0.7187 1.0764 1.0764 1.2107 1.2107 1.4114 1.4114
2.0707 2.0707 2.3076 2.3076 2.6000 2.6000 3.6134 3.6134
4.6205 4.6205 5.2027 5.2027 5.4122 5.4122 6.2427 6.2427
12.0649 12.0649 12.5423 12.5423 12.9524 12.9524 14.3098 14.3098
15.1458 15.1458 15.4328 15.4328
k = 0.5000 0.1342-0.0000 ( 9704 PWs) bands (ev):
-9.0732 -9.0732 -8.3034 -8.3034 -8.0085 -8.0085 -7.7007 -7.7007
0.7384 0.7384 1.0643 1.0643 1.2399 1.2399 1.4016 1.4016
2.0756 2.0756 2.2939 2.2939 2.5772 2.5772 3.7102 3.7102
4.5755 4.5755 5.2070 5.2070 5.4391 5.4391 6.1797 6.1797
12.1571 12.1571 12.5066 12.5066 12.8951 12.8951 14.4238 14.4238
15.0274 15.0274 15.4639 15.4639
k = 0.5000 0.1445-0.0000 ( 9708 PWs) bands (ev):
-9.0500 -9.0500 -8.2886 -8.2886 -8.0418 -8.0418 -7.7170 -7.7170
0.7594 0.7594 1.0519 1.0519 1.2676 1.2676 1.3910 1.3910
2.0791 2.0791 2.2846 2.2846 2.5592 2.5592 3.8090 3.8090
4.5261 4.5261 5.2120 5.2120 5.4624 5.4624 6.1159 6.1159
12.2552 12.2552 12.4736 12.4736 12.8383 12.8383 14.5391 14.5391
14.9173 14.9173 15.5010 15.5010
k = 0.5000 0.1548-0.0000 ( 9716 PWs) bands (ev):
-9.0253 -9.0253 -8.2729 -8.2729 -8.0766 -8.0766 -7.7343 -7.7343
0.7815 0.7815 1.0403 1.0403 1.2918 1.2918 1.3797 1.3797
2.0803 2.0803 2.2794 2.2794 2.5486 2.5486 3.9094 3.9094
4.4722 4.4722 5.2178 5.2178 5.4814 5.4814 6.0520 6.0520
12.3584 12.3584 12.4435 12.4435 12.7829 12.7829 14.6549 14.6549
14.8165 14.8165 15.5448 15.5448
k = 0.5000 0.1652-0.0000 ( 9712 PWs) bands (ev):
-8.9992 -8.9992 -8.2564 -8.2564 -8.1127 -8.1127 -7.7524 -7.7524
0.8046 0.8046 1.0302 1.0302 1.3106 1.3106 1.3681 1.3681
2.0791 2.0791 2.2765 2.2765 2.5485 2.5485 4.0106 4.0106
4.4139 4.4139 5.2245 5.2245 5.4952 5.4952 5.9888 5.9888
12.4134 12.4134 12.4686 12.4686 12.7303 12.7303 14.7253 14.7253
14.7701 14.7701 15.5966 15.5966
k = 0.5000 0.1755-0.0000 ( 9728 PWs) bands (ev):
-8.9716 -8.9716 -8.2390 -8.2390 -8.1500 -8.1500 -7.7712 -7.7712
0.8286 0.8286 1.0219 1.0219 1.3214 1.3214 1.3583 1.3583
2.0759 2.0759 2.2729 2.2729 2.5623 2.5623 4.1118 4.1118
4.3514 4.3514 5.2321 5.2321 5.5033 5.5033 5.9270 5.9270
12.3890 12.3890 12.5744 12.5744 12.6865 12.6865 14.6449 14.6449
14.8828 14.8828 15.6577 15.6577
k = 0.5000 0.1858-0.0000 ( 9740 PWs) bands (ev):
-8.9426 -8.9426 -8.2209 -8.2209 -8.1882 -8.1882 -7.7908 -7.7908
0.8533 0.8533 1.0157 1.0157 1.3198 1.3198 1.3544 1.3544
2.0717 2.0717 2.2661 2.2661 2.5916 2.5916 4.2078 4.2078
4.2893 4.2893 5.2408 5.2408 5.5051 5.5051 5.8672 5.8672
12.3666 12.3666 12.6084 12.6084 12.7227 12.7227 14.5750 14.5750
14.9919 14.9919 15.7295 15.7295
k = 0.5000 0.1961-0.0000 ( 9740 PWs) bands (ev):
-8.9122 -8.9122 -8.2272 -8.2272 -8.2021 -8.2021 -7.8110 -7.8110
0.8784 0.8784 1.0115 1.0115 1.3082 1.3082 1.3542 1.3542
2.0678 2.0678 2.2555 2.2555 2.6358 2.6358 4.2015 4.2015
4.3245 4.3245 5.2506 5.2506 5.5001 5.5001 5.8100 5.8100
12.3469 12.3469 12.5699 12.5699 12.8392 12.8392 14.5159 14.5159
15.0958 15.0958 15.8099 15.8099
k = 0.5000 0.2065-0.0000 ( 9736 PWs) bands (ev):
-8.8806 -8.8806 -8.2668 -8.2668 -8.1826 -8.1826 -7.8318 -7.8318
0.9037 0.9037 1.0096 1.0096 1.2928 1.2928 1.3520 1.3520
2.0649 2.0649 2.2417 2.2417 2.6930 2.6930 4.1272 4.1272
4.4220 4.4220 5.2616 5.2616 5.4880 5.4880 5.7557 5.7557
12.3301 12.3301 12.5280 12.5280 12.9665 12.9665 14.4671 14.4671
15.1936 15.1936 15.6831 15.6831
k = 0.5000 0.2168-0.0000 ( 9744 PWs) bands (ev):
-8.8478 -8.8478 -8.3070 -8.3070 -8.1625 -8.1625 -7.8531 -7.8531
0.9286 0.9286 1.0098 1.0098 1.2764 1.2764 1.3462 1.3462
2.0637 2.0637 2.2259 2.2259 2.7608 2.7608 4.0461 4.0461
4.5206 4.5206 5.2739 5.2739 5.4689 5.4689 5.7047 5.7047
12.3163 12.3163 12.4885 12.4885 13.0987 13.0987 14.4277 14.4277
15.2849 15.2849 15.5472 15.5472
k = 0.5000 0.2271-0.0000 ( 9736 PWs) bands (ev):
-8.8138 -8.8138 -8.3475 -8.3475 -8.1418 -8.1418 -7.8748 -7.8748
0.9526 0.9526 1.0123 1.0123 1.2604 1.2604 1.3365 1.3365
2.0646 2.0646 2.2089 2.2089 2.8371 2.8371 3.9605 3.9605
4.6175 4.6175 5.2870 5.2870 5.4430 5.4430 5.6569 5.6569
12.3056 12.3056 12.4522 12.4522 13.2346 13.2346 14.3960 14.3960
15.3677 15.3677 15.4186 15.4186
k = 0.5000 0.2374-0.0000 ( 9738 PWs) bands (ev):
-8.7788 -8.7788 -8.3882 -8.3882 -8.1207 -8.1207 -7.8969 -7.8969
0.9747 0.9747 1.0169 1.0169 1.2458 1.2458 1.3236 1.3236
2.0676 2.0676 2.1917 2.1917 2.9201 2.9201 3.8713 3.8713
4.7119 4.7119 5.3001 5.3001 5.4118 5.4118 5.6122 5.6122
12.2981 12.2981 12.4194 12.4194 13.3732 13.3732 14.3687 14.3687
15.2668 15.2668 15.3001 15.3001
k = 0.5000 0.2478-0.0000 ( 9738 PWs) bands (ev):
-8.7427 -8.7427 -8.4290 -8.4290 -8.0991 -8.0991 -7.9192 -7.9192
0.9940 0.9940 1.0233 1.0233 1.2340 1.2340 1.3080 1.3080
2.0728 2.0728 2.1745 2.1745 3.0083 3.0083 3.7789 3.7789
4.8031 4.8031 5.3079 5.3079 5.3810 5.3810 5.5704 5.5704
12.2939 12.2939 12.3904 12.3904 13.5137 13.5137 14.3403 14.3403
15.1331 15.1331 15.1932 15.1932
k = 0.5000 0.2581-0.0000 ( 9742 PWs) bands (ev):
-8.7057 -8.7057 -8.4697 -8.4697 -8.0772 -8.0772 -7.9418 -7.9418
1.0095 1.0095 1.0305 1.0305 1.2265 1.2265 1.2908 1.2908
2.0801 2.0801 2.1577 2.1577 3.1005 3.1005 3.6840 3.6840
4.8905 4.8905 5.2916 5.2916 5.3698 5.3698 5.5314 5.5314
12.2932 12.2932 12.3651 12.3651 13.6545 13.6545 14.3024 14.3024
15.0239 15.0239 15.0988 15.0988
k = 0.5000 0.2684-0.0000 ( 9746 PWs) bands (ev):
-8.6679 -8.6679 -8.5102 -8.5102 -8.0550 -8.0550 -7.9644 -7.9644
1.0214 1.0214 1.0365 1.0365 1.2249 1.2249 1.2729 1.2729
2.0893 2.0893 2.1418 2.1418 3.1956 3.1956 3.5872 3.5872
4.9735 4.9735 5.2469 5.2469 5.3828 5.3828 5.4952 5.4952
12.2959 12.2959 12.3437 12.3437 13.7937 13.7937 14.2446 14.2446
14.9495 14.9495 15.0194 15.0194
k = 0.5000 0.2787-0.0000 ( 9738 PWs) bands (ev):
-8.6293 -8.6293 -8.5504 -8.5504 -8.0325 -8.0325 -7.9872 -7.9872
1.0304 1.0304 1.0387 1.0387 1.2298 1.2298 1.2556 1.2556
2.1003 2.1003 2.1267 2.1267 3.2927 3.2927 3.4892 3.4892
5.0513 5.0513 5.1892 5.1892 5.4051 5.4051 5.4620 5.4620
12.3023 12.3023 12.3261 12.3261 13.9281 13.9281 14.1608 14.1608
14.9163 14.9163 14.9587 14.9587
k = 0.5000 0.2891-0.0000 ( 9688 PWs) bands (ev):
-8.5901 -8.5901 -8.5901 -8.5901 -8.0099 -8.0099 -8.0099 -8.0099
1.0364 1.0364 1.0364 1.0364 1.2406 1.2406 1.2406 1.2406
2.1128 2.1128 2.1128 2.1128 3.3908 3.3908 3.3908 3.3908
5.1235 5.1235 5.1235 5.1235 5.4318 5.4318 5.4318 5.4318
12.3123 12.3123 12.3123 12.3123 14.0528 14.0528 14.0528 14.0528
14.9218 14.9218 14.9218 14.9218
k = 0.5000 0.2891-0.0000 ( 9688 PWs) bands (ev):
-8.5901 -8.5901 -8.5901 -8.5901 -8.0099 -8.0099 -8.0099 -8.0099
1.0364 1.0364 1.0364 1.0364 1.2406 1.2406 1.2406 1.2406
2.1128 2.1128 2.1128 2.1128 3.3908 3.3908 3.3908 3.3908
5.1235 5.1235 5.1235 5.1235 5.4318 5.4318 5.4318 5.4318
12.3123 12.3123 12.3123 12.3123 14.0528 14.0528 14.0528 14.0528
14.9218 14.9218 14.9218 14.9218
k = 0.4898 0.2891-0.0000 ( 9732 PWs) bands (ev):
-8.5912 -8.5912 -8.5912 -8.5912 -8.0107 -8.0107 -8.0106 -8.0106
1.0307 1.0307 1.0450 1.0450 1.2363 1.2363 1.2487 1.2487
2.1115 2.1115 2.1169 2.1169 3.3883 3.3883 3.3930 3.3930
5.1219 5.1219 5.1242 5.1242 5.4299 5.4299 5.4337 5.4337
12.3149 12.3149 12.3151 12.3151 14.0545 14.0545 14.0568 14.0568
14.9173 14.9173 14.9204 14.9204
k = 0.4796 0.2891-0.0000 ( 9716 PWs) bands (ev):
-8.5945 -8.5945 -8.5944 -8.5944 -8.0130 -8.0130 -8.0129 -8.0129
1.0276 1.0276 1.0561 1.0561 1.2359 1.2359 1.2607 1.2607
2.1130 2.1130 2.1238 2.1238 3.3854 3.3854 3.3948 3.3948
5.1194 5.1194 5.1240 5.1240 5.4279 5.4279 5.4355 5.4355
12.3228 12.3228 12.3232 12.3232 14.0619 14.0619 14.0665 14.0665
14.9069 14.9069 14.9130 14.9130
k = 0.4694 0.2891-0.0000 ( 9724 PWs) bands (ev):
-8.5998 -8.5998 -8.5997 -8.5997 -8.0168 -8.0168 -8.0167 -8.0167
1.0268 1.0268 1.0694 1.0694 1.2398 1.2398 1.2768 1.2768
2.1176 2.1176 2.1336 2.1336 3.3823 3.3823 3.3963 3.3963
5.1161 5.1161 5.1230 5.1230 5.4258 5.4258 5.4373 5.4373
12.3361 12.3361 12.3366 12.3366 14.0749 14.0749 14.0818 14.0818
14.8909 14.8909 14.9000 14.9000
k = 0.4592 0.2891-0.0000 ( 9724 PWs) bands (ev):
-8.6073 -8.6073 -8.6071 -8.6071 -8.0222 -8.0222 -8.0220 -8.0220
1.0280 1.0280 1.0838 1.0838 1.2484 1.2484 1.2971 1.2971
2.1254 2.1254 2.1465 2.1465 3.3788 3.3788 3.3974 3.3974
5.1119 5.1119 5.1211 5.1211 5.4238 5.4238 5.4390 5.4390
12.3547 12.3547 12.3554 12.3554 14.0934 14.0934 14.1025 14.1025
14.8699 14.8699 14.8815 14.8815
k = 0.4490 0.2891-0.0000 ( 9736 PWs) bands (ev):
-8.6167 -8.6167 -8.6165 -8.6165 -8.0290 -8.0290 -8.0288 -8.0288
1.0304 1.0304 1.0979 1.0979 1.2628 1.2628 1.3219 1.3219
2.1369 2.1369 2.1628 2.1628 3.3751 3.3751 3.3983 3.3983
5.1068 5.1068 5.1184 5.1184 5.4216 5.4216 5.4406 5.4406
12.3787 12.3787 12.3795 12.3795 14.1172 14.1172 14.1283 14.1283
14.8444 14.8444 14.8583 14.8583
k = 0.4388 0.2891-0.0000 ( 9740 PWs) bands (ev):
-8.6282 -8.6282 -8.6279 -8.6279 -8.0373 -8.0373 -8.0370 -8.0370
1.0334 1.0334 1.1101 1.1101 1.2840 1.2840 1.3514 1.3514
2.1525 2.1525 2.1829 2.1829 3.3711 3.3711 3.3990 3.3990
5.1009 5.1009 5.1148 5.1148 5.4195 5.4195 5.4421 5.4421
12.4081 12.4081 12.4090 12.4090 14.1460 14.1460 14.1590 14.1590
14.8151 14.8151 14.8309 14.8309
k = 0.4286 0.2891-0.0000 ( 9736 PWs) bands (ev):
-8.6415 -8.6415 -8.6412 -8.6412 -8.0469 -8.0469 -8.0467 -8.0467
1.0364 1.0364 1.1192 1.1192 1.3127 1.3127 1.3857 1.3857
2.1725 2.1725 2.2072 2.2072 3.3671 3.3671 3.3996 3.3996
5.0941 5.0941 5.1104 5.1104 5.4173 5.4173 5.4435 5.4435
12.4429 12.4429 12.4439 12.4439 14.1792 14.1792 14.1939 14.1939
14.7831 14.7831 14.8004 14.8004
k = 0.4184 0.2891-0.0000 ( 9728 PWs) bands (ev):
-8.6565 -8.6565 -8.6562 -8.6562 -8.0580 -8.0580 -8.0576 -8.0576
1.0386 1.0386 1.1245 1.1245 1.3491 1.3491 1.4250 1.4250
2.1974 2.1974 2.2360 2.2360 3.3631 3.3631 3.4002 3.4002
5.0866 5.0866 5.1053 5.1053 5.4150 5.4150 5.4449 5.4449
12.4832 12.4832 12.4842 12.4842 14.2161 14.2161 14.2321 14.2321
14.7496 14.7496 14.7679 14.7679
k = 0.4082 0.2891-0.0000 ( 9724 PWs) bands (ev):
-8.6733 -8.6733 -8.6729 -8.6729 -8.0703 -8.0703 -8.0699 -8.0699
1.0394 1.0394 1.1259 1.1259 1.3926 1.3926 1.4692 1.4692
2.2273 2.2273 2.2696 2.2696 3.3592 3.3592 3.4010 3.4010
5.0783 5.0783 5.0994 5.0994 5.4127 5.4127 5.4461 5.4461
12.5289 12.5289 12.5300 12.5300 14.2554 14.2554 14.2720 14.2720
14.7166 14.7166 14.7350 14.7350
k = 0.3980 0.2891-0.0000 ( 9718 PWs) bands (ev):
-8.6916 -8.6916 -8.6912 -8.6912 -8.0838 -8.0838 -8.0834 -8.0834
1.0384 1.0384 1.1236 1.1236 1.4426 1.4426 1.5184 1.5184
2.2625 2.2625 2.3083 2.3083 3.3556 3.3556 3.4021 3.4021
5.0693 5.0693 5.0929 5.0929 5.4103 5.4103 5.4471 5.4471
12.5801 12.5801 12.5812 12.5812 14.2946 14.2946 14.3106 14.3106
14.6873 14.6873 14.7046 14.7046
k = 0.3878 0.2891-0.0000 ( 9722 PWs) bands (ev):
-8.7113 -8.7113 -8.7109 -8.7109 -8.0986 -8.0986 -8.0981 -8.0981
1.0352 1.0352 1.1177 1.1177 1.4984 1.4984 1.5725 1.5725
2.3029 2.3029 2.3521 2.3521 3.3525 3.3525 3.4040 3.4040
5.0597 5.0597 5.0857 5.0857 5.4079 5.4079 5.4480 5.4480
12.6367 12.6367 12.6378 12.6378 14.3295 14.3295 14.3427 14.3427
14.6670 14.6670 14.6809 14.6809
k = 0.3776 0.2891-0.0000 ( 9722 PWs) bands (ev):
-8.7324 -8.7324 -8.7320 -8.7320 -8.1144 -8.1144 -8.1139 -8.1139
1.0295 1.0295 1.1086 1.1086 1.5594 1.5594 1.6311 1.6311
2.3485 2.3485 2.4012 2.4012 3.3503 3.3503 3.4070 3.4070
5.0495 5.0495 5.0779 5.0779 5.4054 5.4054 5.4488 5.4488
12.6988 12.6988 12.6998 12.6998 14.3534 14.3534 14.3604 14.3604
14.6638 14.6638 14.6710 14.6710
k = 0.3673 0.2891-0.0000 ( 9716 PWs) bands (ev):
-8.7547 -8.7547 -8.7542 -8.7542 -8.1312 -8.1312 -8.1307 -8.1307
1.0213 1.0213 1.0965 1.0965 1.6250 1.6250 1.6940 1.6940
2.3988 2.3988 2.4553 2.4553 3.3493 3.3493 3.4114 3.4114
5.0388 5.0388 5.0696 5.0696 5.4028 5.4028 5.4494 5.4494
12.7664 12.7664 12.7673 12.7673 14.3577 14.3577 14.3589 14.3589
14.6820 14.6820 14.6834 14.6834
k = 0.3571 0.2891-0.0000 ( 9728 PWs) bands (ev):
-8.7780 -8.7780 -8.7775 -8.7775 -8.1490 -8.1490 -8.1485 -8.1485
1.0106 1.0106 1.0816 1.0816 1.6946 1.6946 1.7607 1.7607
2.4536 2.4536 2.5141 2.5141 3.3500 3.3500 3.4179 3.4179
5.0276 5.0276 5.0609 5.0609 5.4002 5.4002 5.4499 5.4499
12.8393 12.8393 12.8401 12.8401 14.3362 14.3362 14.3445 14.3445
14.7152 14.7152 14.7236 14.7236
k = 0.3469 0.2891-0.0000 ( 9710 PWs) bands (ev):
-8.8022 -8.8022 -8.8017 -8.8017 -8.1676 -8.1676 -8.1671 -8.1671
0.9975 0.9975 1.0642 1.0642 1.7676 1.7676 1.8307 1.8307
2.5121 2.5121 2.5773 2.5773 3.3530 3.3530 3.4272 3.4272
5.0161 5.0161 5.0519 5.0519 5.3974 5.3974 5.4503 5.4503
12.9176 12.9176 12.9183 12.9183 14.3025 14.3025 14.3154 14.3154
14.7645 14.7645 14.7769 14.7769
k = 0.3367 0.2891-0.0000 ( 9722 PWs) bands (ev):
-8.8273 -8.8273 -8.8268 -8.8268 -8.1870 -8.1870 -8.1864 -8.1864
0.9821 0.9821 1.0446 1.0446 1.8433 1.8433 1.9034 1.9034
2.5737 2.5737 2.6442 2.6442 3.3592 3.3592 3.4402 3.4402
5.0044 5.0044 5.0427 5.0427 5.3947 5.3947 5.4505 5.4505
13.0010 13.0010 13.0016 13.0016 14.2621 14.2621 14.2777 14.2777
14.8224 14.8224 14.8360 14.8360
k = 0.3265 0.2891-0.0000 ( 9718 PWs) bands (ev):
-8.8530 -8.8530 -8.8525 -8.8525 -8.2070 -8.2070 -8.2064 -8.2064
0.9646 0.9646 1.0230 1.0230 1.9210 1.9210 1.9780 1.9780
2.6376 2.6376 2.7141 2.7141 3.3694 3.3694 3.4577 3.4577
4.9926 4.9926 5.0335 5.0335 5.3918 5.3918 5.4507 5.4507
13.0894 13.0894 13.0899 13.0899 14.2182 14.2182 14.2354 14.2354
14.8818 14.8818 14.8938 14.8938
k = 0.3163 0.2891-0.0000 ( 9706 PWs) bands (ev):
-8.8792 -8.8792 -8.8787 -8.8787 -8.2276 -8.2276 -8.2270 -8.2270
0.9453 0.9453 0.9998 0.9998 1.9996 1.9996 2.0534 2.0534
2.7031 2.7031 2.7864 2.7864 3.3850 3.3850 3.4809 3.4809
4.9808 4.9808 5.0243 5.0243 5.3889 5.3889 5.4509 5.4509
13.1825 13.1825 13.1830 13.1830 14.1731 14.1731 14.1910 14.1910
14.9345 14.9345 14.9422 14.9422
k = 0.3061 0.2891-0.0000 ( 9704 PWs) bands (ev):
-8.9059 -8.9059 -8.9054 -8.9054 -8.2486 -8.2486 -8.2480 -8.2480
0.9244 0.9244 0.9752 0.9752 2.0780 2.0780 2.1284 2.1284
2.7695 2.7695 2.8600 2.8600 3.4072 3.4072 3.5110 3.5110
4.9693 4.9693 5.0154 5.0154 5.3860 5.3860 5.4511 5.4511
13.2797 13.2797 13.2803 13.2803 14.1283 14.1283 14.1465 14.1465
14.9708 14.9708 14.9721 14.9721
k = 0.2959 0.2891-0.0000 ( 9702 PWs) bands (ev):
-8.9328 -8.9328 -8.9323 -8.9323 -8.2701 -8.2701 -8.2695 -8.2695
0.9022 0.9022 0.9495 0.9495 2.1549 2.1549 2.2017 2.2017
2.8365 2.8365 2.9344 2.9344 3.4376 3.4376 3.5489 3.5489
4.9580 4.9580 5.0070 5.0070 5.3831 5.3831 5.4514 5.4514
13.3799 13.3799 13.3808 13.3808 14.0855 14.0855 14.1034 14.1034
14.9786 14.9786 14.9828 14.9828
k = 0.2857 0.2891-0.0000 ( 9704 PWs) bands (ev):
-8.9599 -8.9599 -8.9594 -8.9594 -8.2917 -8.2917 -8.2911 -8.2911
0.8789 0.8789 0.9230 0.9230 2.2285 2.2285 2.2716 2.2716
2.9042 2.9042 3.0091 3.0091 3.4773 3.4773 3.5954 3.5954
4.9474 4.9474 4.9992 4.9992 5.3803 5.3803 5.4519 5.4519
13.4811 13.4811 13.4827 13.4827 14.0471 14.0471 14.0642 14.0642
14.9651 14.9651 14.9723 14.9723
k = 0.2755 0.2891-0.0000 ( 9704 PWs) bands (ev):
-8.9871 -8.9871 -8.9866 -8.9866 -8.3136 -8.3136 -8.3130 -8.3130
0.8547 0.8547 0.8957 0.8957 2.2972 2.2972 2.3364 2.3364
2.9732 2.9732 3.0843 3.0843 3.5271 3.5271 3.6507 3.6507
4.9376 4.9376 4.9925 4.9925 5.3777 5.3777 5.4527 5.4527
13.5785 13.5785 13.5818 13.5818 14.0183 14.0183 14.0335 14.0335
14.9384 14.9384 14.9467 14.9467
k = 0.2653 0.2891-0.0000 ( 9700 PWs) bands (ev):
-9.0142 -9.0142 -9.0136 -9.0136 -8.3356 -8.3356 -8.3349 -8.3349
0.8300 0.8300 0.8681 0.8681 2.3592 2.3592 2.3945 2.3945
3.0446 3.0446 3.1607 3.1607 3.5868 3.5868 3.7146 3.7146
4.9289 4.9289 4.9871 4.9871 5.3753 5.3753 5.4540 5.4540
13.6609 13.6609 13.6680 13.6680 14.0102 14.0102 14.0215 14.0215
14.9044 14.9044 14.9126 14.9126
k = 0.2551 0.2891-0.0000 ( 9704 PWs) bands (ev):
-9.0411 -9.0411 -9.0406 -9.0406 -8.3575 -8.3575 -8.3569 -8.3569
0.8047 0.8047 0.8402 0.8402 2.4133 2.4133 2.4446 2.4446
3.1196 3.1196 3.2398 3.2398 3.6552 3.6552 3.7862 3.7862
4.9217 4.9217 4.9835 4.9835 5.3733 5.3733 5.4560 5.4560
13.7094 13.7094 13.7221 13.7221 14.0420 14.0420 14.0474 14.0474
14.8664 14.8664 14.8743 14.8743
k = 0.2449 0.2891-0.0000 ( 9702 PWs) bands (ev):
-9.0677 -9.0677 -9.0672 -9.0672 -8.3793 -8.3793 -8.3787 -8.3787
0.7793 0.7793 0.8123 0.8123 2.4584 2.4584 2.4861 2.4861
3.1990 3.1990 3.3227 3.3227 3.7307 3.7307 3.8642 3.8642
4.9164 4.9164 4.9820 4.9820 5.3718 5.3718 5.4588 5.4588
13.7166 13.7166 13.7334 13.7334 14.1208 14.1208 14.1219 14.1219
14.8267 14.8267 14.8339 14.8339
k = 0.2347 0.2891-0.0000 ( 9716 PWs) bands (ev):
-9.0940 -9.0940 -9.0935 -9.0935 -8.4009 -8.4009 -8.4003 -8.4003
0.7538 0.7538 0.7845 0.7845 2.4947 2.4947 2.5190 2.5190
3.2831 3.2831 3.4100 3.4100 3.8112 3.8112 3.9472 3.9472
4.9135 4.9135 4.9834 4.9834 5.3709 5.3709 5.4627 5.4627
13.6981 13.6981 13.7165 13.7165 14.2303 14.2303 14.2307 14.2307
14.7870 14.7870 14.7931 14.7931
k = 0.2245 0.2891-0.0000 ( 9724 PWs) bands (ev):
-9.1198 -9.1198 -9.1193 -9.1193 -8.4223 -8.4223 -8.4217 -8.4217
0.7284 0.7284 0.7569 0.7569 2.5227 2.5227 2.5438 2.5438
3.3716 3.3716 3.5019 3.5019 3.8944 3.8944 4.0334 4.0334
4.9136 4.9136 4.9883 4.9883 5.3710 5.3710 5.4681 5.4681
13.6683 13.6683 13.6871 13.6871 14.3555 14.3555 14.3557 14.3557
14.7494 14.7494 14.7537 14.7537
k = 0.2143 0.2891-0.0000 ( 9736 PWs) bands (ev):
-9.1450 -9.1450 -9.1445 -9.1445 -8.4432 -8.4432 -8.4427 -8.4427
0.7033 0.7033 0.7298 0.7298 2.5433 2.5433 2.5618 2.5618
3.4632 3.4632 3.5974 3.5974 3.9785 3.9785 4.1211 4.1211
4.9176 4.9176 4.9976 4.9976 5.3724 5.3724 5.4754 5.4754
13.6341 13.6341 13.6528 13.6528 14.4829 14.4829 14.4865 14.4865
14.7202 14.7202 14.7203 14.7203
k = 0.2041 0.2891-0.0000 ( 9720 PWs) bands (ev):
-9.1696 -9.1696 -9.1691 -9.1691 -8.4638 -8.4638 -8.4632 -8.4632
0.6786 0.6786 0.7031 0.7031 2.5577 2.5577 2.5738 2.5738
3.5567 3.5567 3.6953 3.6953 4.0614 4.0614 4.2085 4.2085
4.9261 4.9261 5.0122 5.0122 5.3752 5.3752 5.4849 5.4849
13.5982 13.5982 13.6167 13.6167 14.5760 14.5760 14.5897 14.5897
14.7230 14.7230 14.7336 14.7336
k = 0.1939 0.2891-0.0000 ( 9716 PWs) bands (ev):
-9.1935 -9.1935 -9.1930 -9.1930 -8.4838 -8.4838 -8.4832 -8.4832
0.6545 0.6545 0.6772 0.6772 2.5671 2.5671 2.5811 2.5811
3.6502 3.6502 3.7937 3.7937 4.1418 4.1418 4.2939 4.2939
4.9401 4.9401 5.0333 5.0333 5.3802 5.3802 5.4972 5.4972
13.5623 13.5623 13.5804 13.5804 14.5806 14.5806 14.5946 14.5946
14.8311 14.8311 14.8426 14.8426
k = 0.1837 0.2891-0.0000 ( 9710 PWs) bands (ev):
-9.2165 -9.2165 -9.2161 -9.2161 -8.5032 -8.5032 -8.5027 -8.5027
0.6310 0.6310 0.6520 0.6520 2.5725 2.5725 2.5847 2.5847
3.7420 3.7420 3.8905 3.8905 4.2187 4.2187 4.3756 4.3756
4.9605 4.9605 5.0617 5.0617 5.3879 5.3879 5.5128 5.5128
13.5269 13.5269 13.5446 13.5446 14.5513 14.5513 14.5632 14.5632
14.9820 14.9820 14.9916 14.9916
k = 0.1735 0.2891-0.0000 ( 9730 PWs) bands (ev):
-9.2387 -9.2387 -9.2383 -9.2383 -8.5219 -8.5219 -8.5214 -8.5214
0.6082 0.6082 0.6277 0.6277 2.5747 2.5747 2.5854 2.5854
3.8302 3.8302 3.9828 3.9828 4.2918 4.2918 4.4524 4.4524
4.9878 4.9878 5.0980 5.0980 5.3990 5.3990 5.5325 5.5325
13.4925 13.4925 13.5097 13.5097 14.5158 14.5158 14.5264 14.5264
15.1441 15.1441 15.1526 15.1526
k = 0.1633 0.2891-0.0000 ( 9722 PWs) bands (ev):
-9.2600 -9.2600 -9.2596 -9.2596 -8.5399 -8.5399 -8.5395 -8.5395
0.5864 0.5864 0.6043 0.6043 2.5746 2.5746 2.5838 2.5838
3.9128 3.9128 4.0673 4.0673 4.3620 4.3620 4.5236 4.5236
5.0222 5.0222 5.1422 5.1422 5.4147 5.4147 5.5568 5.5568
13.4594 13.4594 13.4761 13.4761 14.4789 14.4789 14.4888 14.4888
15.3128 15.3128 15.3204 15.3204
k = 0.1531 0.2891-0.0000 ( 9706 PWs) bands (ev):
-9.2802 -9.2802 -9.2799 -9.2799 -8.5572 -8.5572 -8.5567 -8.5567
0.5654 0.5654 0.5819 0.5819 2.5726 2.5726 2.5806 2.5806
3.9881 3.9881 4.1405 4.1405 4.4311 4.4311 4.5890 4.5890
5.0634 5.0634 5.1930 5.1930 5.4362 5.4362 5.5863 5.5863
13.4278 13.4278 13.4440 13.4440 14.4418 14.4418 14.4513 14.4513
15.4865 15.4865 15.4930 15.4930
k = 0.1429 0.2891-0.0000 ( 9700 PWs) bands (ev):
-9.2995 -9.2995 -9.2991 -9.2991 -8.5736 -8.5736 -8.5731 -8.5731
0.5455 0.5455 0.5607 0.5607 2.5693 2.5693 2.5763 2.5763
4.0548 4.0548 4.2000 4.2000 4.5002 4.5002 4.6489 4.6489
5.1106 5.1106 5.2486 5.2486 5.4649 5.4649 5.6210 5.6210
13.3978 13.3978 13.4134 13.4134 14.4051 14.4051 14.4142 14.4142
15.6642 15.6642 15.6685 15.6685
k = 0.1327 0.2891-0.0000 ( 9708 PWs) bands (ev):
-9.3176 -9.3176 -9.3172 -9.3172 -8.5890 -8.5890 -8.5886 -8.5886
0.5268 0.5268 0.5406 0.5406 2.5651 2.5651 2.5711 2.5711
4.1121 4.1121 4.2454 4.2454 4.5689 4.5689 4.7036 4.7036
5.1633 5.1633 5.3067 5.3067 5.5020 5.5020 5.6608 5.6608
13.3695 13.3695 13.3845 13.3845 14.3689 14.3689 14.3777 14.3777
15.8421 15.8421 15.8438 15.8438
k = 0.1224 0.2891-0.0000 ( 9712 PWs) bands (ev):
-9.3345 -9.3345 -9.3342 -9.3342 -8.6036 -8.6036 -8.6032 -8.6032
0.5092 0.5092 0.5217 0.5217 2.5603 2.5603 2.5655 2.5655
4.1599 4.1599 4.2787 4.2787 4.6350 4.6350 4.7530 4.7530
5.2208 5.2208 5.3656 5.3656 5.5477 5.5477 5.7051 5.7051
13.3430 13.3430 13.3573 13.3573 14.3333 14.3333 14.3418 14.3418
15.9709 15.9709 16.0050 16.0050
k = 0.1122 0.2891-0.0000 ( 9728 PWs) bands (ev):
-9.3503 -9.3503 -9.3500 -9.3500 -8.6171 -8.6171 -8.6167 -8.6167
0.4928 0.4928 0.5041 0.5041 2.5551 2.5551 2.5596 2.5596
4.1989 4.1989 4.3023 4.3023 4.6959 4.6959 4.7967 4.7967
5.2828 5.2828 5.4247 5.4247 5.6006 5.6006 5.7525 5.7525
13.3185 13.3185 13.3320 13.3320 14.2984 14.2984 14.3066 14.3066
15.9228 15.9228 15.9450 15.9450
k = 0.1020 0.2891-0.0000 ( 9720 PWs) bands (ev):
-9.3648 -9.3648 -9.3645 -9.3645 -8.6296 -8.6296 -8.6293 -8.6293
0.4777 0.4777 0.4879 0.4879 2.5499 2.5499 2.5537 2.5537
4.2301 4.2301 4.3186 4.3186 4.7496 4.7496 4.8342 4.8342
5.3487 5.3487 5.4845 5.4845 5.6579 5.6579 5.8016 5.8016
13.2959 13.2959 13.3086 13.3086 14.2643 14.2643 14.2722 14.2722
15.8194 15.8194 15.8406 15.8406
k = 0.0918 0.2891-0.0000 ( 9718 PWs) bands (ev):
-9.3780 -9.3780 -9.3778 -9.3778 -8.6410 -8.6410 -8.6407 -8.6407
0.4640 0.4640 0.4730 0.4730 2.5447 2.5447 2.5479 2.5479
4.2548 4.2548 4.3297 4.3297 4.7951 4.7951 4.8655 4.8655
5.4174 5.4174 5.5451 5.5451 5.7165 5.7165 5.8506 5.8506
13.2753 13.2753 13.2871 13.2871 14.2312 14.2312 14.2387 14.2387
15.7080 15.7080 15.7259 15.7259
k = 0.0816 0.2891-0.0000 ( 9722 PWs) bands (ev):
-9.3899 -9.3899 -9.3897 -9.3897 -8.6513 -8.6513 -8.6510 -8.6510
0.4516 0.4516 0.4596 0.4596 2.5397 2.5397 2.5424 2.5424
4.2742 4.2742 4.3370 4.3370 4.8327 4.8327 4.8907 4.8907
5.4875 5.4875 5.6063 5.6063 5.7736 5.7736 5.8976 5.8976
13.2567 13.2567 13.2676 13.2676 14.1992 14.1992 14.2064 14.2064
15.5990 15.5990 15.6101 15.6101
k = 0.0714 0.2891-0.0000 ( 9714 PWs) bands (ev):
-9.4005 -9.4005 -9.4003 -9.4003 -8.6605 -8.6605 -8.6602 -8.6602
0.4407 0.4407 0.4476 0.4476 2.5350 2.5350 2.5373 2.5373
4.2894 4.2894 4.3415 4.3415 4.8630 4.8630 4.9105 4.9105
5.5571 5.5571 5.6665 5.6665 5.8272 5.8272 5.9411 5.9411
13.2403 13.2403 13.2501 13.2501 14.1688 14.1688 14.1755 14.1755
15.4984 15.4984 15.5044 15.5044
k = 0.0612 0.2891-0.0000 ( 9712 PWs) bands (ev):
-9.4098 -9.4098 -9.4096 -9.4096 -8.6684 -8.6684 -8.6682 -8.6682
0.4312 0.4312 0.4371 0.4371 2.5308 2.5308 2.5327 2.5327
4.3014 4.3014 4.3440 4.3440 4.8872 4.8872 4.9256 4.9256
5.6242 5.6242 5.7241 5.7241 5.8758 5.8758 5.9793 5.9793
13.2260 13.2260 13.2347 13.2347 14.1404 14.1404 14.1465 14.1465
15.4096 15.4096 15.4121 15.4121
k = 0.0510 0.2891-0.0000 ( 9716 PWs) bands (ev):
-9.4176 -9.4176 -9.4175 -9.4175 -8.6752 -8.6752 -8.6751 -8.6751
0.4232 0.4232 0.4281 0.4281 2.5271 2.5271 2.5287 2.5287
4.3109 4.3109 4.3449 4.3449 4.9062 4.9062 4.9367 4.9367
5.6871 5.6871 5.7766 5.7766 5.9186 5.9186 6.0112 6.0112
13.2140 13.2140 13.2214 13.2214 14.1148 14.1148 14.1201 14.1201
15.3339 15.3339 15.3342 15.3342
k = 0.0408 0.2891-0.0000 ( 9718 PWs) bands (ev):
-9.4241 -9.4241 -9.4239 -9.4239 -8.6808 -8.6808 -8.6807 -8.6807
0.4167 0.4167 0.4206 0.4206 2.5241 2.5241 2.5253 2.5253
4.3184 4.3184 4.3448 4.3448 4.9210 4.9210 4.9445 4.9445
5.7440 5.7440 5.8215 5.8215 5.9556 5.9556 6.0356 6.0356
13.2042 13.2042 13.2103 13.2103 14.0925 14.0925 14.0969 14.0969
15.2709 15.2709 15.2720 15.2720
k = 0.0306 0.2891-0.0000 ( 9730 PWs) bands (ev):
-9.4291 -9.4291 -9.4290 -9.4290 -8.6852 -8.6852 -8.6851 -8.6851
0.4117 0.4117 0.4146 0.4146 2.5217 2.5217 2.5225 2.5225
4.3245 4.3245 4.3438 4.3438 4.9324 4.9324 4.9495 4.9495
5.7931 5.7931 5.8561 5.8561 5.9870 5.9870 6.0519 6.0519
13.1968 13.1968 13.2014 13.2014 14.0743 14.0743 14.0777 14.0777
15.2221 15.2221 15.2238 15.2238
k = 0.0204 0.2891-0.0000 ( 9730 PWs) bands (ev):
-9.4327 -9.4327 -9.4326 -9.4326 -8.6883 -8.6883 -8.6882 -8.6882
0.4083 0.4083 0.4102 0.4102 2.5199 2.5199 2.5205 2.5205
4.3295 4.3295 4.3421 4.3421 4.9409 4.9409 4.9520 4.9520
5.8333 5.8333 5.8782 5.8782 6.0136 6.0136 6.0598 6.0598
13.1917 13.1917 13.1948 13.1948 14.0609 14.0609 14.0633 14.0633
15.1877 15.1877 15.1894 15.1894
k = 0.0102 0.2891-0.0000 ( 9742 PWs) bands (ev):
-9.4348 -9.4348 -9.4348 -9.4348 -8.6902 -8.6902 -8.6901 -8.6901
0.4064 0.4064 0.4074 0.4074 2.5190 2.5190 2.5192 2.5192
4.3336 4.3336 4.3399 4.3399 4.9469 4.9469 4.9524 4.9524
5.8630 5.8630 5.8865 5.8865 6.0350 6.0350 6.0592 6.0592
13.1889 13.1889 13.1905 13.1905 14.0529 14.0529 14.0541 14.0541
15.1675 15.1675 15.1686 15.1686
k = 0.0000 0.2891-0.0000 ( 9742 PWs) bands (ev):
-9.4355 -9.4355 -9.4355 -9.4355 -8.6908 -8.6908 -8.6908 -8.6908
0.4061 0.4061 0.4061 0.4061 2.5187 2.5187 2.5187 2.5187
4.3370 4.3370 4.3370 4.3370 4.9507 4.9507 4.9507 4.9507
5.8811 5.8811 5.8811 5.8811 6.0506 6.0506 6.0506 6.0506
13.1885 13.1885 13.1885 13.1885 14.0506 14.0506 14.0506 14.0506
15.1612 15.1612 15.1612 15.1612
k = 0.0000 0.2891-0.0000 ( 9742 PWs) bands (ev):
-9.4355 -9.4355 -9.4355 -9.4355 -8.6908 -8.6908 -8.6908 -8.6908
0.4061 0.4061 0.4061 0.4061 2.5187 2.5187 2.5187 2.5187
4.3370 4.3370 4.3370 4.3370 4.9507 4.9507 4.9507 4.9507
5.8811 5.8811 5.8811 5.8811 6.0506 6.0506 6.0506 6.0506
13.1885 13.1885 13.1885 13.1885 14.0506 14.0506 14.0506 14.0506
15.1612 15.1612 15.1612 15.1612
k = 0.0000 0.2787-0.0000 ( 9732 PWs) bands (ev):
-9.4771 -9.4771 -9.3934 -9.3934 -8.7106 -8.7106 -8.6709 -8.6709
0.3868 0.3868 0.4288 0.4288 2.3864 2.3864 2.6506 2.6506
4.2787 4.2787 4.3880 4.3880 4.9175 4.9175 4.9855 4.9855
5.8660 5.8660 5.8960 5.8960 6.0433 6.0433 6.0591 6.0591
13.1289 13.1289 13.2614 13.2614 14.0093 14.0093 14.0905 14.0905
15.1141 15.1141 15.1910 15.1910
k = 0.0000 0.2684-0.0000 ( 9724 PWs) bands (ev):
-9.5179 -9.5179 -9.3507 -9.3507 -8.7303 -8.7303 -8.6512 -8.6512
0.3707 0.3707 0.4546 0.4546 2.2543 2.2543 2.7815 2.7815
4.2134 4.2134 4.4316 4.4316 4.8857 4.8857 5.0220 5.0220
5.8508 5.8508 5.9106 5.9106 6.0372 6.0372 6.0685 6.0685
13.0832 13.0832 13.3469 13.3469 13.9676 13.9676 14.1281 14.1281
15.0681 15.0681 15.1811 15.1811
k = 0.0000 0.2581-0.0000 ( 9736 PWs) bands (ev):
-9.5579 -9.5579 -9.3076 -9.3076 -8.7498 -8.7498 -8.6315 -8.6315
0.3582 0.3582 0.4834 0.4834 2.1228 2.1228 2.9106 2.9106
4.1415 4.1415 4.4676 4.4676 4.8553 4.8553 5.0605 5.0605
5.8355 5.8355 5.9247 5.9247 6.0321 6.0321 6.0789 6.0789
13.0517 13.0517 13.4443 13.4443 13.9261 13.9261 14.1622 14.1622
15.0233 15.0233 15.1784 15.1784
k = 0.0000 0.2478-0.0000 ( 9732 PWs) bands (ev):
-9.5970 -9.5970 -9.2643 -9.2643 -8.7692 -8.7692 -8.6119 -8.6119
0.3491 0.3491 0.5150 0.5150 1.9926 1.9926 3.0373 3.0373
4.0634 4.0634 4.4963 4.4963 4.8261 4.8261 5.1013 5.1013
5.8202 5.8202 5.9383 5.9383 6.0283 6.0283 6.0902 6.0902
13.0351 13.0351 13.5527 13.5527 13.8854 13.8854 14.1919 14.1919
14.9798 14.9798 15.1838 15.1838
k = 0.0000 0.2374-0.0000 ( 9736 PWs) bands (ev):
-9.6351 -9.6351 -9.2208 -9.2208 -8.7882 -8.7882 -8.5926 -8.5926
0.3437 0.3437 0.5494 0.5494 1.8641 1.8641 3.1606 3.1606
3.9797 3.9797 4.5177 4.5177 4.7981 4.7981 5.1446 5.1446
5.8048 5.8048 5.9511 5.9511 6.0256 6.0256 6.1022 6.1022
13.0333 13.0333 13.6714 13.6714 13.8461 13.8461 14.2162 14.2162
14.9377 14.9377 15.1980 15.1980
k = 0.0000 0.2271-0.0000 ( 9742 PWs) bands (ev):
-9.6721 -9.6721 -9.1774 -9.1774 -8.8070 -8.8070 -8.5736 -8.5736
0.3420 0.3420 0.5862 0.5862 1.7377 1.7377 3.2800 3.2800
3.8909 3.8909 4.5320 4.5320 4.7712 4.7712 5.1908 5.1908
5.7894 5.7894 5.9628 5.9628 6.0244 6.0244 6.1149 6.1149
13.0466 13.0466 13.7972 13.7972 13.8106 13.8106 14.2345 14.2345
14.8971 14.8971 15.2212 15.2212
k = 0.0000 0.2168-0.0000 ( 9746 PWs) bands (ev):
-9.7079 -9.7079 -9.1341 -9.1341 -8.8253 -8.8253 -8.5550 -8.5550
0.3439 0.3439 0.6254 0.6254 1.6138 1.6138 3.3943 3.3943
3.7979 3.7979 4.5396 4.5396 4.7453 4.7453 5.2403 5.2403
5.7738 5.7738 5.9727 5.9727 6.0252 6.0252 6.1280 6.1280
13.0749 13.0749 13.7719 13.7719 13.9363 13.9363 14.2465 14.2465
14.8580 14.8580 15.2532 15.2532
k = 0.0000 0.2065-0.0000 ( 9738 PWs) bands (ev):
-9.7425 -9.7425 -9.0912 -9.0912 -8.8432 -8.8432 -8.5368 -8.5368
0.3496 0.3496 0.6667 0.6667 1.4928 1.4928 3.5030 3.5030
3.7012 3.7012 4.5407 4.5407 4.7206 4.7206 5.2933 5.2933
5.7581 5.7581 5.9799 5.9799 6.0289 6.0289 6.1415 6.1415
13.1179 13.1179 13.7381 13.7381 14.0800 14.0800 14.2527 14.2527
14.8204 14.8204 15.2930 15.2930
k = 0.0000 0.1961-0.0000 ( 9742 PWs) bands (ev):
-9.7758 -9.7758 -9.0487 -9.0487 -8.8606 -8.8606 -8.5190 -8.5190
0.3591 0.3591 0.7099 0.7099 1.3751 1.3751 3.6003 3.6003
3.6063 3.6063 4.5357 4.5357 4.6968 4.6968 5.3499 5.3499
5.7425 5.7425 5.9838 5.9838 6.0361 6.0361 6.1553 6.1553
13.1754 13.1754 13.7064 13.7064 14.2254 14.2254 14.2579 14.2579
14.7845 14.7845 15.3389 15.3389
k = 0.0000 0.1858-0.0000 ( 9746 PWs) bands (ev):
-9.8077 -9.8077 -9.0068 -9.0068 -8.8774 -8.8774 -8.5018 -8.5018
0.3723 0.3723 0.7546 0.7546 1.2611 1.2611 3.4994 3.4994
3.7001 3.7001 4.5251 4.5251 4.6741 4.6741 5.4099 5.4099
5.7273 5.7273 5.9850 5.9850 6.0462 6.0462 6.1693 6.1693
13.2466 13.2466 13.6769 13.6769 14.2456 14.2456 14.3886 14.3886
14.7503 14.7503 15.3888 15.3888
k = 0.0000 0.1755-0.0000 ( 9746 PWs) bands (ev):
-9.8382 -9.8382 -8.9658 -8.9658 -8.8936 -8.8936 -8.4852 -8.4852
0.3893 0.3893 0.8005 0.8005 1.1510 1.1510 3.3958 3.3958
3.7874 3.7874 4.5092 4.5092 4.6523 4.6523 5.4723 5.4723
5.7135 5.7135 5.9844 5.9844 6.0582 6.0582 6.1834 6.1834
13.3311 13.3311 13.6498 13.6498 14.2369 14.2369 14.5480 14.5480
14.7179 14.7179 15.4394 15.4394
k = 0.0000 0.1652-0.0000 ( 9742 PWs) bands (ev):
-9.8672 -9.8672 -8.9257 -8.9257 -8.9091 -8.9091 -8.4692 -8.4692
0.4100 0.4100 0.8472 0.8472 1.0452 1.0452 3.2912 3.2912
3.8667 3.8667 4.4887 4.4887 4.6314 4.6314 5.5342 5.5342
5.7039 5.7039 5.9829 5.9829 6.0716 6.0716 6.1976 6.1976
13.4280 13.4280 13.6249 13.6249 14.2243 14.2243 14.6868 14.6868
14.7107 14.7107 15.4867 15.4867
k = 0.0000 0.1548-0.0000 ( 9746 PWs) bands (ev):
-9.8947 -9.8947 -8.9240 -8.9240 -8.8869 -8.8869 -8.4539 -8.4539
0.4344 0.4344 0.8940 0.8940 0.9446 0.9446 3.1862 3.1862
3.9379 3.9379 4.4641 4.4641 4.6114 4.6114 5.5855 5.5855
5.7080 5.7080 5.9810 5.9810 6.0857 6.0857 6.2117 6.2117
13.5362 13.5362 13.6024 13.6024 14.2088 14.2088 14.6588 14.6588
14.8732 14.8732 15.5253 15.5253
k = 0.0000 0.1445-0.0000 ( 9742 PWs) bands (ev):
-9.9206 -9.9206 -8.9380 -8.9380 -8.8493 -8.8493 -8.4394 -8.4394
0.4624 0.4624 0.8471 0.8471 0.9425 0.9425 3.0817 3.0817
4.0009 4.0009 4.4361 4.4361 4.5922 4.5922 5.6074 5.6074
5.7440 5.7440 5.9792 5.9792 6.1003 6.1003 6.2258 6.2258
13.5819 13.5819 13.6548 13.6548 14.1910 14.1910 14.6325 14.6325
15.0344 15.0344 15.5491 15.5491
k = 0.0000 0.1342-0.0000 ( 9742 PWs) bands (ev):
-9.9449 -9.9449 -8.9514 -8.9514 -8.8133 -8.8133 -8.4256 -8.4256
0.4939 0.4939 0.7562 0.7562 0.9890 0.9890 2.9782 2.9782
4.0561 4.0561 4.4054 4.4054 4.5739 4.5739 5.6044 5.6044
5.8059 5.8059 5.9778 5.9778 6.1153 6.1153 6.2398 6.2398
13.5638 13.5638 13.7820 13.7820 14.1714 14.1714 14.6088 14.6088
15.1912 15.1912 15.5523 15.5523
k = 0.0000 0.1239-0.0000 ( 9732 PWs) bands (ev):
-9.9675 -9.9675 -8.9638 -8.9638 -8.7791 -8.7791 -8.4127 -8.4127
0.5288 0.5288 0.6707 0.6707 1.0346 1.0346 2.8765 2.8765
4.1033 4.1033 4.3731 4.3731 4.5564 4.5564 5.5928 5.5928
5.8754 5.8754 5.9780 5.9780 6.1308 6.1308 6.2540 6.2540
13.5476 13.5476 13.9160 13.9160 14.1509 14.1509 14.5882 14.5882
15.3400 15.3400 15.5327 15.5327
k = 0.0000 0.1136-0.0000 ( 9726 PWs) bands (ev):
-9.9885 -9.9885 -8.9754 -8.9754 -8.7467 -8.7467 -8.4007 -8.4007
0.5660 0.5660 0.5918 0.5918 1.0783 1.0783 2.7774 2.7774
4.1423 4.1423 4.3409 4.3409 4.5398 4.5398 5.5787 5.5787
5.9378 5.9378 5.9864 5.9864 6.1470 6.1470 6.2687 6.2687
13.5335 13.5335 14.0512 14.0512 14.1325 14.1325 14.5720 14.5720
15.4697 15.4697 15.5003 15.5003
k = 0.0000 0.1032-0.0000 ( 9726 PWs) bands (ev):
-10.0077 -10.0077 -8.9861 -8.9861 -8.7164 -8.7164 -8.3896 -8.3896
0.5163 0.5163 0.6089 0.6089 1.1193 1.1193 2.6816 2.6816
4.1710 4.1710 4.3120 4.3120 4.5242 4.5242 5.5642 5.5642
5.9611 5.9611 6.0300 6.0300 6.1650 6.1650 6.2845 6.2845
13.5212 13.5212 14.0988 14.0988 14.2005 14.2005 14.5638 14.5638
15.4339 15.4339 15.6050 15.6050
k = 0.0000 0.0929-0.0000 ( 9714 PWs) bands (ev):
-10.0252 -10.0252 -8.9959 -8.9959 -8.6884 -8.6884 -8.3795 -8.3795
0.4488 0.4488 0.6528 0.6528 1.1567 1.1567 2.5902 2.5902
4.1838 4.1838 4.2937 4.2937 4.5094 4.5094 5.5500 5.5500
5.9639 5.9639 6.0844 6.0844 6.1866 6.1866 6.3032 6.3032
13.5106 13.5106 14.0781 14.0781 14.3230 14.3230 14.5747 14.5747
15.3709 15.3709 15.7136 15.7136
k = 0.0000 0.0826-0.0000 ( 9718 PWs) bands (ev):
-10.0409 -10.0409 -9.0048 -9.0048 -8.6628 -8.6628 -8.3703 -8.3703
0.3876 0.3876 0.6992 0.6992 1.1893 1.1893 2.5041 2.5041
4.1750 4.1750 4.2931 4.2931 4.4956 4.4956 5.5368 5.5368
5.9642 5.9642 6.1257 6.1257 6.2133 6.2133 6.3273 6.3273
13.5016 13.5016 14.0552 14.0552 14.4031 14.4031 14.6337 14.6337
15.3055 15.3055 15.8074 15.8074
k = 0.0000 0.0723-0.0000 ( 9719 PWs) bands (ev):
-10.0548 -10.0548 -9.0126 -9.0126 -8.6399 -8.6399 -8.3621 -8.3621
0.3331 0.3331 0.7477 0.7477 1.2160 1.2160 2.4247 2.4247
4.1514 4.1514 4.3048 4.3048 4.4825 4.4825 5.5246 5.5246
5.9641 5.9641 6.1519 6.1519 6.2404 6.2404 6.3600 6.3600
13.4940 13.4940 14.0324 14.0324 14.4293 14.4293 14.7479 14.7479
15.2425 15.2425 15.8872 15.8872
k = 0.0000 0.0619-0.0000 ( 9705 PWs) bands (ev):
-10.0669 -10.0669 -9.0195 -9.0195 -8.6196 -8.6196 -8.3550 -8.3550
0.2854 0.2854 0.7976 0.7976 1.2357 1.2357 2.3530 2.3530
4.1232 4.1232 4.3200 4.3200 4.4703 4.4703 5.5138 5.5138
5.9638 5.9638 6.1687 6.1687 6.2614 6.2614 6.4000 6.4000
13.4878 13.4878 14.0105 14.0105 14.4324 14.4324 14.8825 14.8825
15.1854 15.1854 15.9547 15.9547
k = 0.0000 0.0516-0.0000 ( 9701 PWs) bands (ev):
-10.0772 -10.0772 -9.0253 -9.0253 -8.6022 -8.6022 -8.3489 -8.3489
0.2447 0.2447 0.8480 0.8480 1.2473 1.2473 2.2905 2.2905
4.0955 4.0955 4.3353 4.3353 4.4589 4.4589 5.5045 5.5045
5.9636 5.9636 6.1806 6.1806 6.2759 6.2759 6.4419 6.4419
13.4828 13.4828 13.9902 13.9902 14.4291 14.4291 15.0138 15.0138
15.1394 15.1394 16.0109 16.0109
k = 0.0000 0.0413-0.0000 ( 9699 PWs) bands (ev):
-10.0856 -10.0856 -9.0301 -9.0301 -8.5879 -8.5879 -8.3439 -8.3439
0.2112 0.2112 0.8977 0.8977 1.2503 1.2503 2.2383 2.2383
4.0707 4.0707 4.3494 4.3494 4.4481 4.4481 5.4968 5.4968
5.9635 5.9635 6.1894 6.1894 6.2860 6.2860 6.4806 6.4806
13.4789 13.4789 13.9723 13.9723 14.4242 14.4242 15.0736 15.0736
15.1638 15.1638 16.0568 16.0568
k = 0.0000 0.0310-0.0000 ( 9695 PWs) bands (ev):
-10.0922 -10.0922 -9.0338 -9.0338 -8.5766 -8.5766 -8.3400 -8.3400
0.1851 0.1851 0.9450 0.9450 1.2452 1.2452 2.1973 2.1973
4.0500 4.0500 4.3621 4.3621 4.4382 4.4382 5.4908 5.4908
5.9634 5.9634 6.1959 6.1959 6.2930 6.2930 6.5130 6.5130
13.4760 13.4760 13.9574 13.9574 14.4197 14.4197 15.0483 15.0483
15.2657 15.2657 16.0927 16.0927
k = 0.0000 0.0206-0.0000 ( 9703 PWs) bands (ev):
-10.0969 -10.0969 -9.0365 -9.0365 -8.5684 -8.5684 -8.3373 -8.3373
0.1663 0.1663 0.9867 0.9867 1.2340 1.2340 2.1679 2.1679
4.0346 4.0346 4.3729 4.3729 4.4292 4.4292 5.4864 5.4864
5.9633 5.9633 6.2004 6.2004 6.2976 6.2976 6.5372 6.5372
13.4739 13.4739 13.9463 13.9463 14.4162 14.4162 15.0254 15.0254
15.3504 15.3504 16.1186 16.1186
k = 0.0000 0.0103-0.0000 ( 9707 PWs) bands (ev):
-10.0997 -10.0997 -9.0381 -9.0381 -8.5635 -8.5635 -8.3356 -8.3356
0.1550 0.1550 1.0176 1.0176 1.2216 1.2216 2.1504 2.1504
4.0251 4.0251 4.3812 4.3812 4.4220 4.4220 5.4838 5.4838
5.9633 5.9633 6.2031 6.2031 6.3003 6.3003 6.5521 6.5521
13.4727 13.4727 13.9394 13.9394 14.4139 14.4139 15.0112 15.0112
15.4052 15.4052 16.1343 16.1343
k = 0.0000 0.0000 0.0000 ( 9685 PWs) bands (ev):
-10.1006 -10.1006 -9.0386 -9.0386 -8.5619 -8.5619 -8.3350 -8.3350
0.1513 0.1513 1.0295 1.0295 1.2158 1.2158 2.1445 2.1445
4.0219 4.0219 4.3846 4.3846 4.4190 4.4190 5.4829 5.4829
5.9633 5.9633 6.2040 6.2040 6.3012 6.3012 6.5571 6.5571
13.4724 13.4724 13.9370 13.9370 14.4132 14.4132 15.0065 15.0065
15.4241 15.4241 16.1396 16.1396
k = 0.0000 0.0000 0.0000 ( 9685 PWs) bands (ev):
-10.1006 -10.1006 -9.0386 -9.0386 -8.5619 -8.5619 -8.3350 -8.3350
0.1513 0.1513 1.0295 1.0295 1.2158 1.2158 2.1445 2.1445
4.0219 4.0219 4.3846 4.3846 4.4190 4.4190 5.4829 5.4829
5.9633 5.9633 6.2040 6.2040 6.3012 6.3012 6.5571 6.5571
13.4724 13.4724 13.9370 13.9370 14.4132 14.4132 15.0065 15.0065
15.4241 15.4241 16.1396 16.1396
k = 0.0000 0.0000 0.0100 ( 9705 PWs) bands (ev):
-10.0999 -10.0999 -9.0403 -9.0403 -8.5615 -8.5615 -8.3347 -8.3347
0.1522 0.1522 1.0286 1.0286 1.2203 1.2203 2.1431 2.1431
4.0249 4.0249 4.3740 4.3740 4.4236 4.4236 5.4830 5.4830
5.9612 5.9612 6.2037 6.2037 6.3009 6.3009 6.5552 6.5552
13.4788 13.4788 13.9411 13.9411 14.4119 14.4119 15.0075 15.0075
15.4225 15.4225 16.1403 16.1403
k = 0.0000 0.0000 0.0200 ( 9699 PWs) bands (ev):
-10.0976 -10.0976 -9.0454 -9.0454 -8.5604 -8.5604 -8.3339 -8.3339
0.1552 0.1552 1.0265 1.0265 1.2334 1.2334 2.1388 2.1388
4.0338 4.0338 4.3501 4.3501 4.4296 4.4296 5.4834 5.4834
5.9550 5.9550 6.2029 6.2029 6.3003 6.3003 6.5494 6.5494
13.4982 13.4982 13.9531 13.9531 14.4082 14.4082 15.0110 15.0110
15.4179 15.4179 16.1426 16.1426
k = 0.0000 0.0000 0.0300 ( 9695 PWs) bands (ev):
-10.0937 -10.0937 -9.0538 -9.0538 -8.5585 -8.5585 -8.3326 -8.3326
0.1600 0.1600 1.0241 1.0241 1.2536 1.2536 2.1322 2.1322
4.0477 4.0477 4.3187 4.3187 4.4319 4.4319 5.4839 5.4839
5.9446 5.9446 6.2018 6.2018 6.2991 6.2991 6.5399 6.5399
13.5301 13.5301 13.9726 13.9726 14.4022 14.4022 15.0171 15.0171
15.4104 15.4104 16.1462 16.1462
k = 0.0000 0.0000 0.0400 ( 9699 PWs) bands (ev):
-10.0884 -10.0884 -9.0653 -9.0653 -8.5559 -8.5559 -8.3309 -8.3309
0.1668 0.1668 1.0224 1.0224 1.2796 1.2796 2.1240 2.1240
4.0650 4.0650 4.2821 4.2821 4.4295 4.4295 5.4846 5.4846
5.9303 5.9303 6.2004 6.2004 6.2974 6.2974 6.5270 6.5270
13.5741 13.5741 13.9989 13.9989 14.3939 14.3939 15.0267 15.0267
15.4005 15.4005 16.1510 16.1510
k = 0.0000 0.0000 0.0500 ( 9709 PWs) bands (ev):
-10.0815 -10.0815 -9.0797 -9.0797 -8.5526 -8.5526 -8.3289 -8.3289
0.1755 0.1755 1.0221 1.0221 1.3100 1.3100 2.1154 2.1154
4.0810 4.0810 4.2448 4.2448 4.4225 4.4225 5.4854 5.4854
5.9122 5.9122 6.1990 6.1990 6.2950 6.2950 6.5109 6.5109
13.6294 13.6294 14.0313 14.0313 14.3837 14.3837 15.0407 15.0407
15.3885 15.3885 16.1569 16.1569
k = 0.0000 0.0000 0.0600 ( 9717 PWs) bands (ev):
-10.0731 -10.0731 -9.0969 -9.0969 -8.5486 -8.5486 -8.3268 -8.3268
0.1862 0.1862 1.0235 1.0235 1.3435 1.3435 2.1076 2.1076
4.0828 4.0828 4.2191 4.2191 4.4110 4.4110 5.4862 5.4862
5.8906 5.8906 6.1977 6.1977 6.2920 6.2920 6.4920 6.4920
13.6947 13.6947 14.0691 14.0691 14.3716 14.3716 15.0600 15.0600
15.3750 15.3750 16.1634 16.1634
k = 0.0000 0.0000 0.0700 ( 9733 PWs) bands (ev):
-10.0632 -10.0632 -9.1167 -9.1167 -8.5439 -8.5439 -8.3248 -8.3248
0.1987 0.1987 1.0265 1.0265 1.3789 1.3789 2.1024 2.1024
4.0530 4.0530 4.2221 4.2221 4.3953 4.3953 5.4867 5.4867
5.8662 5.8662 6.1966 6.1966 6.2883 6.2883 6.4708 6.4708
13.7678 13.7678 14.1123 14.1123 14.3581 14.3581 15.0859 15.0859
15.3606 15.3606 16.1705 16.1705
k = 0.0000 0.0000 0.0800 ( 9733 PWs) bands (ev):
-10.0519 -10.0519 -9.1387 -9.1387 -8.5385 -8.5385 -8.3230 -8.3230
0.2131 0.2131 1.0307 1.0307 1.4152 1.4152 2.1015 2.1015
3.9970 3.9970 4.2466 4.2466 4.3765 4.3765 5.4866 5.4866
5.8395 5.8395 6.1959 6.1959 6.2839 6.2839 6.4476 6.4476
13.8450 13.8450 14.1626 14.1626 14.3434 14.3434 15.1192 15.1192
15.3459 15.3459 16.1776 16.1777
k = 0.0000 0.0000 0.0900 ( 9733 PWs) bands (ev):
-10.0391 -10.0391 -9.1628 -9.1628 -8.5325 -8.5325 -8.3214 -8.3214
0.2294 0.2294 1.0355 1.0355 1.4514 1.4514 2.1069 2.1069
3.9271 3.9271 4.2753 4.2753 4.3595 4.3595 5.4856 5.4856
5.8117 5.8117 6.1954 6.1954 6.2787 6.2787 6.4230 6.4230
13.9204 13.9204 14.2235 14.2235 14.3278 14.3278 15.1608 15.1608
15.3315 15.3315 16.1847 16.1847
k = 0.0000 0.0000 0.1000 ( 9729 PWs) bands (ev):
-10.0248 -10.0248 -9.1886 -9.1886 -8.5259 -8.5259 -8.3204 -8.3204
0.2475 0.2475 1.0400 1.0400 1.4869 1.4869 2.1205 2.1205
3.8489 3.8489 4.2822 4.2822 4.3646 4.3646 5.4829 5.4829
5.7840 5.7840 6.1952 6.1952 6.2726 6.2726 6.3973 6.3973
13.9866 13.9866 14.3003 14.3003 14.3123 14.3123 15.2109 15.2109
15.3178 15.3178 16.1914 16.1914
k = 0.0000 0.0000 0.1100 ( 9729 PWs) bands (ev):
-10.0092 -10.0092 -9.2161 -9.2161 -8.5188 -8.5188 -8.3199 -8.3199
0.2674 0.2674 1.0430 1.0430 1.5216 1.5216 2.1436 2.1436
3.7643 3.7643 4.2567 4.2567 4.4001 4.4001 5.4775 5.4775
5.7580 5.7580 6.1953 6.1953 6.2653 6.2653 6.3713 6.3713
14.0382 14.0382 14.2947 14.2947 14.3993 14.3993 15.2687 15.2687
15.3060 15.3060 16.1975 16.1975
k = 0.0000 0.0000 0.1200 ( 9737 PWs) bands (ev):
-9.9922 -9.9922 -9.2449 -9.2449 -8.5111 -8.5111 -8.3201 -8.3201
0.2890 0.2890 1.0433 1.0433 1.5562 1.5562 2.1770 2.1770
3.6749 3.6749 4.2170 4.2170 4.4464 4.4464 5.4684 5.4684
5.7356 5.7356 6.1956 6.1956 6.2562 6.2562 6.3458 6.3458
14.0750 14.0750 14.2781 14.2781 14.5174 14.5174 15.2935 15.2935
15.3364 15.3364 16.2028 16.2028
k = 0.0000 0.0000 0.1300 ( 9733 PWs) bands (ev):
-9.9738 -9.9738 -9.2748 -9.2748 -8.5030 -8.5030 -8.3209 -8.3209
0.3124 0.3124 1.0398 1.0398 1.5918 1.5918 2.2208 2.2208
3.5813 3.5813 4.1694 4.1694 4.4962 4.4962 5.4545 5.4545
5.7185 5.7185 6.1961 6.1961 6.2443 6.2443 6.3221 6.3221
14.0999 14.0999 14.2616 14.2616 14.6519 14.6519 15.2856 15.2856
15.4078 15.4078 16.2070 16.2070
k = 0.0000 0.0000 0.1400 ( 9743 PWs) bands (ev):
-9.9541 -9.9541 -9.3058 -9.3058 -8.4944 -8.4944 -8.3226 -8.3226
0.3374 0.3374 1.0316 1.0316 1.6299 1.6299 2.2742 2.2742
3.4846 3.4846 4.1151 4.1151 4.5477 4.5477 5.4353 5.4353
5.7077 5.7077 6.1962 6.1962 6.2285 6.2285 6.3020 6.3020
14.1161 14.1161 14.2456 14.2456 14.7995 14.7995 15.2798 15.2798
15.4840 15.4840 16.2073 16.2073
k = 0.0000 0.0000 0.1500 ( 9747 PWs) bands (ev):
-9.9331 -9.9331 -9.3374 -9.3374 -8.4855 -8.4855 -8.3250 -8.3250
0.3641 0.3641 1.0184 1.0184 1.6720 1.6720 2.3362 2.3362
3.3853 3.3853 4.0548 4.0548 4.5997 4.5997 5.4112 5.4112
5.7037 5.7037 6.1932 6.1932 6.2108 6.2108 6.2865 6.2865
14.1263 14.1263 14.2301 14.2301 14.9575 14.9575 15.2769 15.2769
15.5628 15.5628 16.1336 16.1336
k = 0.0000 0.0000 0.1600 ( 9751 PWs) bands (ev):
-9.9109 -9.9109 -9.3697 -9.3697 -8.4762 -8.4762 -8.3282 -8.3282
0.3924 0.3924 1.0001 1.0001 1.7191 1.7191 2.4056 2.4056
3.2841 3.2841 3.9887 3.9887 4.6517 4.6517 5.3831 5.3831
5.7057 5.7057 6.1749 6.1749 6.2042 6.2042 6.2749 6.2749
14.1321 14.1321 14.2154 14.2154 15.1238 15.1238 15.2774 15.2774
15.6420 15.6420 16.0492 16.0492
k = 0.0000 0.0000 0.1700 ( 9757 PWs) bands (ev):
-9.8875 -9.8875 -9.4024 -9.4024 -8.4667 -8.4667 -8.3322 -8.3322
0.4221 0.4221 0.9771 0.9771 1.7718 1.7718 2.4814 2.4814
3.1817 3.1817 3.9171 3.9171 4.7032 4.7032 5.3521 5.3521
5.7129 5.7129 6.1468 6.1468 6.2045 6.2045 6.2660 6.2660
14.1350 14.1350 14.2017 14.2017 15.2790 15.2790 15.2993 15.2993
15.7184 15.7184 15.9701 15.9701
k = 0.0000 0.0000 0.1800 ( 9735 PWs) bands (ev):
-9.8630 -9.8630 -9.4354 -9.4354 -8.4570 -8.4570 -8.3370 -8.3370
0.4533 0.4533 0.9500 0.9500 1.8303 1.8303 2.5623 2.5623
3.0786 3.0786 3.8406 3.8406 4.7537 4.7537 5.3194 5.3194
5.7245 5.7245 6.1158 6.1158 6.2059 6.2059 6.2587 6.2587
14.1360 14.1360 14.1891 14.1891 15.2887 15.2887 15.4758 15.4758
15.7841 15.7841 15.9030 15.9030
k = 0.0000 0.0000 0.1900 ( 9729 PWs) bands (ev):
-9.8373 -9.8373 -9.4686 -9.4686 -8.4471 -8.4471 -8.3425 -8.3425
0.4858 0.4858 0.9196 0.9196 1.8944 1.8944 2.6475 2.6475
2.9755 2.9755 3.7595 3.7595 4.8031 4.8031 5.2855 5.2855
5.7399 5.7399 6.0834 6.0834 6.2079 6.2079 6.2524 6.2524
14.1357 14.1357 14.1777 14.1777 15.3006 15.3006 15.6566 15.6566
15.7911 15.7911 15.8954 15.8954
k = 0.0000 0.0000 0.2000 ( 9707 PWs) bands (ev):
-9.8106 -9.8106 -9.5017 -9.5017 -8.4371 -8.4371 -8.3487 -8.3487
0.5195 0.5195 0.8865 0.8865 1.9639 1.9639 2.7358 2.7358
2.8733 2.8733 3.6745 3.6745 4.8510 4.8510 5.2508 5.2508
5.7585 5.7585 6.0503 6.0503 6.2101 6.2101 6.2468 6.2468
14.1350 14.1350 14.1675 14.1675 15.3167 15.3167 15.7298 15.7298
15.8450 15.8450 15.9486 15.9486
k = 0.0000 0.0000 0.2100 ( 9707 PWs) bands (ev):
-9.7829 -9.7829 -9.5348 -9.5348 -8.4272 -8.4272 -8.3556 -8.3556
0.5544 0.5544 0.8514 0.8514 2.0385 2.0385 2.7677 2.7677
2.8310 2.8310 3.5860 3.5860 4.8974 4.8974 5.2154 5.2154
5.7799 5.7799 6.0169 6.0169 6.2127 6.2127 6.2418 6.2418
14.1342 14.1342 14.1587 14.1587 15.3373 15.3373 15.6707 15.6707
15.9907 15.9907 16.0388 16.0388
k = 0.0000 0.0000 0.2200 ( 9705 PWs) bands (ev):
-9.7543 -9.7543 -9.5676 -9.5676 -8.4173 -8.4173 -8.3631 -8.3631
0.5902 0.5902 0.8150 0.8150 2.1178 2.1178 2.6689 2.6689
2.9229 2.9229 3.4947 3.4947 4.9421 4.9421 5.1795 5.1795
5.8038 5.8038 5.9837 5.9837 6.2154 6.2154 6.2371 6.2371
14.1337 14.1337 14.1513 14.1513 15.3623 15.3623 15.6130 15.6130
16.0433 16.0433 16.1856 16.1856
k = 0.0000 0.0000 0.2300 ( 9699 PWs) bands (ev):
-9.7249 -9.7249 -9.6001 -9.6001 -8.4075 -8.4075 -8.3712 -8.3712
0.6269 0.6269 0.7777 0.7777 2.2014 2.2014 2.5702 2.5702
3.0179 3.0179 3.4012 3.4012 4.9851 4.9851 5.1428 5.1428
5.8299 5.8299 5.9508 5.9508 6.2184 6.2184 6.2328 6.2328
14.1339 14.1339 14.1453 14.1453 15.3921 15.3921 15.5593 15.5593
16.0828 16.0828 16.1747 16.1747
k = 0.0000 0.0000 0.2400 ( 9701 PWs) bands (ev):
-9.6947 -9.6947 -9.6322 -9.6322 -8.3979 -8.3979 -8.3797 -8.3797
0.6642 0.6642 0.7399 0.7399 2.2888 2.2888 2.4737 2.4737
3.1139 3.1139 3.3062 3.3062 5.0266 5.0266 5.1053 5.1053
5.8580 5.8580 5.9188 5.9188 6.2216 6.2216 6.2288 6.2288
14.1350 14.1350 14.1406 14.1406 15.4267 15.4267 15.5103 15.5103
16.1145 16.1145 16.1593 16.1593
k = 0.0000 0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.6637 -9.6637 -9.6637 -9.6637 -8.3886 -8.3886 -8.3886 -8.3886
0.7019 0.7019 0.7019 0.7019 2.3797 2.3797 2.3797 2.3797
3.2102 3.2102 3.2102 3.2102 5.0666 5.0666 5.0666 5.0666
5.8877 5.8877 5.8877 5.8877 6.2251 6.2251 6.2251 6.2251
14.1372 14.1372 14.1372 14.1372 15.4661 15.4661 15.4661 15.4661
16.1396 16.1396 16.1396 16.1396
k = 0.0000 0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.6637 -9.6637 -9.6637 -9.6637 -8.3886 -8.3886 -8.3886 -8.3886
0.7019 0.7019 0.7019 0.7019 2.3797 2.3797 2.3797 2.3797
3.2102 3.2102 3.2102 3.2102 5.0666 5.0666 5.0666 5.0666
5.8877 5.8877 5.8877 5.8877 6.2251 6.2251 6.2251 6.2251
14.1372 14.1372 14.1372 14.1372 15.4661 15.4661 15.4661 15.4661
16.1396 16.1396 16.1396 16.1396
k = 0.0102-0.0000 0.2500 ( 9710 PWs) bands (ev):
-9.6630 -9.6630 -9.6630 -9.6630 -8.3880 -8.3880 -8.3880 -8.3880
0.7026 0.7026 0.7026 0.7026 2.3802 2.3802 2.3802 2.3802
3.2102 3.2102 3.2102 3.2102 5.0640 5.0640 5.0640 5.0640
5.8843 5.8843 5.8843 5.8843 6.2203 6.2203 6.2203 6.2203
14.1459 14.1459 14.1459 14.1459 15.4668 15.4668 15.4668 15.4668
16.1451 16.1451 16.1451 16.1451
k = 0.0204-0.0000 0.2500 ( 9706 PWs) bands (ev):
-9.6610 -9.6610 -9.6610 -9.6610 -8.3860 -8.3860 -8.3860 -8.3860
0.7045 0.7045 0.7045 0.7045 2.3816 2.3816 2.3816 2.3816
3.2102 3.2102 3.2102 3.2102 5.0563 5.0563 5.0563 5.0563
5.8742 5.8742 5.8742 5.8742 6.2058 6.2058 6.2058 6.2058
14.1718 14.1718 14.1718 14.1718 15.4688 15.4688 15.4688 15.4688
16.1612 16.1612 16.1612 16.1612
k = 0.0306-0.0000 0.2500 ( 9706 PWs) bands (ev):
-9.6575 -9.6575 -9.6575 -9.6575 -8.3827 -8.3827 -8.3827 -8.3827
0.7078 0.7078 0.7078 0.7078 2.3839 2.3839 2.3839 2.3839
3.2102 3.2102 3.2102 3.2102 5.0430 5.0430 5.0430 5.0430
5.8581 5.8581 5.8581 5.8581 6.1820 6.1820 6.1820 6.1820
14.2146 14.2146 14.2146 14.2146 15.4721 15.4721 15.4721 15.4721
16.1871 16.1871 16.1871 16.1871
k = 0.0408-0.0000 0.2500 ( 9706 PWs) bands (ev):
-9.6526 -9.6526 -9.6526 -9.6526 -8.3781 -8.3781 -8.3781 -8.3781
0.7123 0.7123 0.7123 0.7123 2.3871 2.3871 2.3871 2.3871
3.2101 3.2101 3.2101 3.2101 5.0238 5.0238 5.0238 5.0238
5.8368 5.8368 5.8368 5.8368 6.1491 6.1491 6.1491 6.1491
14.2736 14.2736 14.2736 14.2736 15.4766 15.4766 15.4766 15.4766
16.2209 16.2209 16.2209 16.2209
k = 0.0510-0.0000 0.2500 ( 9702 PWs) bands (ev):
-9.6464 -9.6464 -9.6464 -9.6464 -8.3723 -8.3723 -8.3723 -8.3723
0.7180 0.7180 0.7180 0.7180 2.3912 2.3912 2.3912 2.3912
3.2098 3.2098 3.2098 3.2098 4.9982 4.9982 4.9982 4.9982
5.8113 5.8113 5.8113 5.8113 6.1080 6.1080 6.1080 6.1080
14.3480 14.3480 14.3480 14.3480 15.4823 15.4823 15.4823 15.4823
16.2604 16.2604 16.2604 16.2604
k = 0.0612-0.0000 0.2500 ( 9706 PWs) bands (ev):
-9.6388 -9.6388 -9.6388 -9.6388 -8.3651 -8.3651 -8.3651 -8.3651
0.7250 0.7250 0.7250 0.7250 2.3959 2.3959 2.3959 2.3959
3.2092 3.2092 3.2092 3.2092 4.9655 4.9655 4.9655 4.9655
5.7828 5.7828 5.7828 5.7828 6.0594 6.0594 6.0594 6.0594
14.4367 14.4367 14.4367 14.4367 15.4889 15.4889 15.4889 15.4889
16.3026 16.3026 16.3026 16.3026
k = 0.0714-0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.6298 -9.6298 -9.6298 -9.6298 -8.3567 -8.3567 -8.3567 -8.3567
0.7333 0.7333 0.7333 0.7333 2.4014 2.4014 2.4014 2.4014
3.2082 3.2082 3.2082 3.2082 4.9253 4.9253 4.9253 4.9253
5.7516 5.7516 5.7516 5.7516 6.0050 6.0050 6.0050 6.0050
14.5383 14.5383 14.5383 14.5383 15.4963 15.4963 15.4963 15.4963
16.3443 16.3443 16.3443 16.3443
k = 0.0816-0.0000 0.2500 ( 9708 PWs) bands (ev):
-9.6196 -9.6196 -9.6196 -9.6196 -8.3470 -8.3470 -8.3470 -8.3470
0.7427 0.7427 0.7427 0.7427 2.4073 2.4073 2.4073 2.4073
3.2065 3.2065 3.2065 3.2065 4.8776 4.8776 4.8776 4.8776
5.7174 5.7174 5.7174 5.7174 5.9471 5.9471 5.9471 5.9471
14.6512 14.6512 14.6512 14.6512 15.5042 15.5042 15.5042 15.5042
16.3822 16.3822 16.3822 16.3822
k = 0.0918-0.0000 0.2500 ( 9698 PWs) bands (ev):
-9.6081 -9.6081 -9.6081 -9.6081 -8.3362 -8.3362 -8.3362 -8.3362
0.7533 0.7533 0.7533 0.7533 2.4137 2.4137 2.4137 2.4137
3.2039 3.2039 3.2039 3.2039 4.8225 4.8225 4.8225 4.8225
5.6780 5.6780 5.6780 5.6780 5.8896 5.8896 5.8896 5.8896
14.7732 14.7732 14.7732 14.7732 15.5121 15.5121 15.5121 15.5121
16.4122 16.4122 16.4122 16.4122
k = 0.1020-0.0000 0.2500 ( 9706 PWs) bands (ev):
-9.5953 -9.5953 -9.5953 -9.5953 -8.3242 -8.3242 -8.3242 -8.3242
0.7650 0.7650 0.7650 0.7650 2.4202 2.4202 2.4202 2.4202
3.2001 3.2001 3.2001 3.2001 4.7606 4.7606 4.7606 4.7606
5.6294 5.6294 5.6294 5.6294 5.8380 5.8380 5.8380 5.8380
14.9016 14.9016 14.9016 14.9016 15.5194 15.5194 15.5194 15.5194
16.4215 16.4215 16.4215 16.4215
k = 0.1122-0.0000 0.2500 ( 9698 PWs) bands (ev):
-9.5813 -9.5813 -9.5813 -9.5813 -8.3110 -8.3110 -8.3110 -8.3110
0.7778 0.7778 0.7778 0.7778 2.4266 2.4266 2.4266 2.4266
3.1948 3.1948 3.1948 3.1948 4.6930 4.6930 4.6930 4.6930
5.5676 5.5676 5.5676 5.5676 5.7973 5.7973 5.7973 5.7973
15.0328 15.0328 15.0328 15.0328 15.5251 15.5251 15.5251 15.5251
16.3831 16.3831 16.3831 16.3831
k = 0.1224-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.5661 -9.5661 -9.5661 -9.5661 -8.2967 -8.2967 -8.2967 -8.2967
0.7916 0.7916 0.7916 0.7916 2.4326 2.4326 2.4326 2.4326
3.1878 3.1878 3.1878 3.1878 4.6209 4.6209 4.6209 4.6209
5.4923 5.4923 5.4923 5.4923 5.7686 5.7686 5.7686 5.7686
15.1613 15.1613 15.1613 15.1613 15.5281 15.5281 15.5281 15.5281
16.3062 16.3062 16.3062 16.3062
k = 0.1327-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.5498 -9.5498 -9.5498 -9.5498 -8.2814 -8.2814 -8.2814 -8.2814
0.8064 0.8064 0.8064 0.8064 2.4379 2.4379 2.4379 2.4379
3.1785 3.1785 3.1785 3.1785 4.5459 4.5459 4.5459 4.5459
5.4064 5.4064 5.4064 5.4064 5.7500 5.7500 5.7500 5.7500
15.2770 15.2770 15.2770 15.2770 15.5282 15.5282 15.5282 15.5282
16.2023 16.2023 16.2023 16.2023
k = 0.1429-0.0000 0.2500 ( 9696 PWs) bands (ev):
-9.5323 -9.5323 -9.5323 -9.5323 -8.2650 -8.2650 -8.2650 -8.2650
0.8221 0.8221 0.8221 0.8221 2.4419 2.4419 2.4419 2.4419
3.1668 3.1668 3.1668 3.1668 4.4697 4.4697 4.4697 4.4697
5.3131 5.3131 5.3131 5.3131 5.7386 5.7386 5.7386 5.7386
15.3558 15.3558 15.3558 15.3558 15.5345 15.5345 15.5345 15.5345
16.0909 16.0909 16.0909 16.0909
k = 0.1531-0.0000 0.2500 ( 9696 PWs) bands (ev):
-9.5139 -9.5139 -9.5139 -9.5139 -8.2477 -8.2477 -8.2477 -8.2477
0.8386 0.8386 0.8386 0.8386 2.4439 2.4439 2.4439 2.4439
3.1523 3.1523 3.1523 3.1523 4.3939 4.3939 4.3939 4.3939
5.2148 5.2148 5.2148 5.2148 5.7326 5.7326 5.7326 5.7326
15.3561 15.3561 15.3561 15.3561 15.5695 15.5695 15.5695 15.5695
16.0000 16.0000 16.0000 16.0000
k = 0.1633-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.4944 -9.4944 -9.4944 -9.4944 -8.2294 -8.2294 -8.2294 -8.2294
0.8560 0.8560 0.8560 0.8560 2.4432 2.4432 2.4432 2.4432
3.1349 3.1349 3.1349 3.1349 4.3201 4.3201 4.3201 4.3201
5.1137 5.1137 5.1137 5.1137 5.7305 5.7305 5.7305 5.7305
15.2847 15.2847 15.2847 15.2847 15.6112 15.6112 15.6112 15.6112
15.9427 15.9427 15.9427 15.9427
k = 0.1735-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.4740 -9.4740 -9.4740 -9.4740 -8.2103 -8.2103 -8.2103 -8.2103
0.8740 0.8740 0.8740 0.8740 2.4387 2.4387 2.4387 2.4387
3.1148 3.1148 3.1148 3.1148 4.2496 4.2496 4.2496 4.2496
5.0111 5.0111 5.0111 5.0111 5.7316 5.7316 5.7316 5.7316
15.1724 15.1724 15.1724 15.1724 15.6266 15.6266 15.6266 15.6266
15.9061 15.9061 15.9061 15.9061
k = 0.1837-0.0000 0.2500 ( 9704 PWs) bands (ev):
-9.4527 -9.4527 -9.4527 -9.4527 -8.1904 -8.1904 -8.1904 -8.1904
0.8927 0.8927 0.8927 0.8927 2.4291 2.4291 2.4291 2.4291
3.0925 3.0925 3.0925 3.0925 4.1834 4.1834 4.1834 4.1834
4.9085 4.9085 4.9085 4.9085 5.7352 5.7352 5.7352 5.7352
15.0380 15.0380 15.0380 15.0380 15.6042 15.6042 15.6042 15.6042
15.8545 15.8545 15.8545 15.8545
k = 0.1939-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.4306 -9.4306 -9.4306 -9.4306 -8.1698 -8.1698 -8.1698 -8.1698
0.9119 0.9119 0.9119 0.9119 2.4133 2.4133 2.4133 2.4133
3.0690 3.0690 3.0690 3.0690 4.1219 4.1219 4.1219 4.1219
4.8072 4.8072 4.8072 4.8072 5.7408 5.7408 5.7408 5.7408
14.8926 14.8926 14.8926 14.8926 15.5429 15.5429 15.5429 15.5429
15.8026 15.8026 15.8026 15.8026
k = 0.2041-0.0000 0.2500 ( 9700 PWs) bands (ev):
-9.4077 -9.4077 -9.4077 -9.4077 -8.1484 -8.1484 -8.1484 -8.1484
0.9316 0.9316 0.9316 0.9316 2.3896 2.3896 2.3896 2.3896
3.0455 3.0455 3.0455 3.0455 4.0652 4.0652 4.0652 4.0652
4.7088 4.7088 4.7088 4.7088 5.7481 5.7481 5.7481 5.7481
14.7425 14.7425 14.7425 14.7425 15.4533 15.4533 15.4533 15.4533
15.7575 15.7575 15.7575 15.7575
k = 0.2143-0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.3842 -9.3842 -9.3842 -9.3842 -8.1265 -8.1265 -8.1265 -8.1265
0.9516 0.9516 0.9516 0.9516 2.3570 2.3570 2.3570 2.3570
3.0233 3.0233 3.0233 3.0233 4.0126 4.0126 4.0126 4.0126
4.6149 4.6149 4.6149 4.6149 5.7567 5.7567 5.7567 5.7567
14.5913 14.5913 14.5913 14.5913 15.3484 15.3484 15.3484 15.3484
15.7108 15.7108 15.7108 15.7108
k = 0.2245-0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.3601 -9.3601 -9.3601 -9.3601 -8.1041 -8.1041 -8.1041 -8.1041
0.9718 0.9718 0.9718 0.9718 2.3147 2.3147 2.3147 2.3147
3.0035 3.0035 3.0035 3.0035 3.9627 3.9627 3.9627 3.9627
4.5272 4.5272 4.5272 4.5272 5.7665 5.7665 5.7665 5.7665
14.4411 14.4411 14.4411 14.4411 15.2361 15.2361 15.2361 15.2361
15.6581 15.6581 15.6581 15.6581
k = 0.2347-0.0000 0.2500 ( 9696 PWs) bands (ev):
-9.3356 -9.3356 -9.3356 -9.3356 -8.0812 -8.0812 -8.0812 -8.0812
0.9921 0.9921 0.9921 0.9921 2.2629 2.2629 2.2629 2.2629
2.9867 2.9867 2.9867 2.9867 3.9140 3.9140 3.9140 3.9140
4.4478 4.4478 4.4478 4.4478 5.7771 5.7771 5.7771 5.7771
14.2930 14.2930 14.2930 14.2930 15.1204 15.1204 15.1204 15.1204
15.5987 15.5987 15.5987 15.5987
k = 0.2449-0.0000 0.2500 ( 9704 PWs) bands (ev):
-9.3106 -9.3106 -9.3106 -9.3106 -8.0580 -8.0580 -8.0580 -8.0580
1.0124 1.0124 1.0124 1.0124 2.2022 2.2022 2.2022 2.2022
2.9728 2.9728 2.9728 2.9728 3.8649 3.8649 3.8649 3.8649
4.3783 4.3783 4.3783 4.3783 5.7884 5.7884 5.7884 5.7884
14.1479 14.1479 14.1479 14.1479 15.0035 15.0035 15.0035 15.0035
15.5331 15.5331 15.5331 15.5331
k = 0.2551-0.0000 0.2500 ( 9714 PWs) bands (ev):
-9.2852 -9.2852 -9.2852 -9.2852 -8.0345 -8.0345 -8.0345 -8.0345
1.0325 1.0325 1.0325 1.0325 2.1339 2.1339 2.1339 2.1339
2.9610 2.9610 2.9610 2.9610 3.8142 3.8142 3.8142 3.8142
4.3202 4.3202 4.3202 4.3202 5.8003 5.8003 5.8003 5.8003
14.0063 14.0063 14.0063 14.0063 14.8867 14.8867 14.8867 14.8867
15.4627 15.4627 15.4627 15.4627
k = 0.2653-0.0000 0.2500 ( 9694 PWs) bands (ev):
-9.2597 -9.2597 -9.2597 -9.2597 -8.0109 -8.0109 -8.0109 -8.0109
1.0523 1.0523 1.0523 1.0523 2.0596 2.0596 2.0596 2.0596
2.9501 2.9501 2.9501 2.9501 3.7619 3.7619 3.7619 3.7619
4.2738 4.2738 4.2738 4.2738 5.8126 5.8126 5.8126 5.8126
13.8688 13.8688 13.8688 13.8688 14.7710 14.7710 14.7710 14.7710
15.3886 15.3886 15.3886 15.3886
k = 0.2755-0.0000 0.2500 ( 9698 PWs) bands (ev):
-9.2340 -9.2340 -9.2340 -9.2340 -7.9871 -7.9871 -7.9871 -7.9871
1.0716 1.0716 1.0716 1.0716 1.9809 1.9809 1.9809 1.9809
2.9386 2.9386 2.9386 2.9386 3.7090 3.7090 3.7090 3.7090
4.2385 4.2385 4.2385 4.2385 5.8252 5.8252 5.8252 5.8252
13.7355 13.7355 13.7355 13.7355 14.6572 14.6572 14.6572 14.6572
15.3118 15.3118 15.3118 15.3118
k = 0.2857-0.0000 0.2500 ( 9696 PWs) bands (ev):
-9.2084 -9.2084 -9.2084 -9.2084 -7.9634 -7.9634 -7.9634 -7.9634
1.0902 1.0902 1.0902 1.0902 1.8993 1.8993 1.8993 1.8993
2.9249 2.9249 2.9249 2.9249 3.6577 3.6577 3.6577 3.6577
4.2129 4.2129 4.2129 4.2129 5.8378 5.8378 5.8378 5.8378
13.6068 13.6068 13.6068 13.6068 14.5457 14.5457 14.5457 14.5457
15.2333 15.2333 15.2333 15.2333
k = 0.2959-0.0000 0.2500 ( 9708 PWs) bands (ev):
-9.1828 -9.1828 -9.1828 -9.1828 -7.9398 -7.9398 -7.9398 -7.9398
1.1079 1.1079 1.1079 1.1079 1.8162 1.8162 1.8162 1.8162
2.9076 2.9076 2.9076 2.9076 3.6104 3.6104 3.6104 3.6104
4.1953 4.1953 4.1953 4.1953 5.8506 5.8506 5.8506 5.8506
13.4829 13.4829 13.4829 13.4829 14.4371 14.4371 14.4371 14.4371
15.1541 15.1541 15.1541 15.1541
k = 0.3061-0.0000 0.2500 ( 9716 PWs) bands (ev):
-9.1574 -9.1574 -9.1574 -9.1574 -7.9164 -7.9164 -7.9164 -7.9164
1.1244 1.1244 1.1244 1.1244 1.7328 1.7328 1.7328 1.7328
2.8853 2.8853 2.8853 2.8853 3.5691 3.5691 3.5691 3.5691
4.1840 4.1840 4.1840 4.1840 5.8632 5.8632 5.8632 5.8632
13.3641 13.3641 13.3641 13.3641 14.3318 14.3318 14.3318 14.3318
15.0748 15.0748 15.0748 15.0748
k = 0.3163-0.0000 0.2500 ( 9722 PWs) bands (ev):
-9.1324 -9.1324 -9.1324 -9.1324 -7.8934 -7.8934 -7.8934 -7.8934
1.1395 1.1395 1.1395 1.1395 1.6504 1.6504 1.6504 1.6504
2.8575 2.8575 2.8575 2.8575 3.5354 3.5354 3.5354 3.5354
4.1775 4.1775 4.1775 4.1775 5.8757 5.8757 5.8757 5.8757
13.2504 13.2504 13.2504 13.2504 14.2301 14.2301 14.2301 14.2301
14.9962 14.9962 14.9962 14.9962
k = 0.3265-0.0000 0.2500 ( 9722 PWs) bands (ev):
-9.1077 -9.1077 -9.1077 -9.1077 -7.8708 -7.8708 -7.8708 -7.8708
1.1527 1.1527 1.1527 1.1527 1.5699 1.5699 1.5699 1.5699
2.8243 2.8243 2.8243 2.8243 3.5099 3.5099 3.5099 3.5099
4.1748 4.1748 4.1748 4.1748 5.8879 5.8879 5.8879 5.8879
13.1420 13.1420 13.1420 13.1420 14.1323 14.1323 14.1323 14.1323
14.9189 14.9189 14.9189 14.9189
k = 0.3367-0.0000 0.2500 ( 9722 PWs) bands (ev):
-9.0837 -9.0837 -9.0837 -9.0837 -7.8488 -7.8488 -7.8488 -7.8488
1.1632 1.1632 1.1632 1.1632 1.4928 1.4928 1.4928 1.4928
2.7864 2.7864 2.7864 2.7864 3.4924 3.4924 3.4924 3.4924
4.1749 4.1749 4.1749 4.1749 5.8999 5.8999 5.8999 5.8999
13.0391 13.0391 13.0391 13.0391 14.0388 14.0388 14.0388 14.0388
14.8434 14.8434 14.8434 14.8434
k = 0.3469-0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.0603 -9.0603 -9.0603 -9.0603 -7.8274 -7.8274 -7.8274 -7.8274
1.1698 1.1698 1.1698 1.1698 1.4207 1.4207 1.4207 1.4207
2.7452 2.7452 2.7452 2.7452 3.4819 3.4819 3.4819 3.4819
4.1770 4.1770 4.1770 4.1770 5.9113 5.9113 5.9113 5.9113
12.9419 12.9419 12.9419 12.9419 13.9498 13.9498 13.9498 13.9498
14.7702 14.7702 14.7702 14.7702
k = 0.3571-0.0000 0.2500 ( 9704 PWs) bands (ev):
-9.0377 -9.0377 -9.0377 -9.0377 -7.8067 -7.8067 -7.8067 -7.8067
1.1696 1.1696 1.1696 1.1696 1.3572 1.3572 1.3572 1.3572
2.7022 2.7022 2.7022 2.7022 3.4771 3.4771 3.4771 3.4771
4.1807 4.1807 4.1807 4.1807 5.9224 5.9224 5.9224 5.9224
12.8503 12.8503 12.8503 12.8503 13.8655 13.8655 13.8655 13.8655
14.6998 14.6998 14.6998 14.6998
k = 0.3673-0.0000 0.2500 ( 9704 PWs) bands (ev):
-9.0160 -9.0160 -9.0160 -9.0160 -7.7870 -7.7870 -7.7870 -7.7870
1.1567 1.1567 1.1567 1.1567 1.3081 1.3081 1.3081 1.3081
2.6587 2.6587 2.6587 2.6587 3.4769 3.4769 3.4769 3.4769
4.1854 4.1854 4.1854 4.1854 5.9328 5.9328 5.9328 5.9328
12.7646 12.7646 12.7646 12.7646 13.7862 13.7862 13.7862 13.7862
14.6326 14.6326 14.6326 14.6326
k = 0.3776-0.0000 0.2500 ( 9696 PWs) bands (ev):
-8.9954 -8.9954 -8.9954 -8.9954 -7.7682 -7.7682 -7.7682 -7.7682
1.1258 1.1258 1.1258 1.1258 1.2796 1.2796 1.2796 1.2796
2.6162 2.6162 2.6162 2.6162 3.4801 3.4801 3.4801 3.4801
4.1908 4.1908 4.1908 4.1908 5.9427 5.9427 5.9427 5.9427
12.6849 12.6849 12.6849 12.6849 13.7120 13.7120 13.7120 13.7120
14.5689 14.5689 14.5689 14.5689
k = 0.3878-0.0000 0.2500 ( 9700 PWs) bands (ev):
-8.9759 -8.9759 -8.9759 -8.9759 -7.7504 -7.7504 -7.7504 -7.7504
1.0811 1.0811 1.0811 1.0811 1.2674 1.2674 1.2674 1.2674
2.5755 2.5755 2.5755 2.5755 3.4856 3.4856 3.4856 3.4856
4.1966 4.1966 4.1966 4.1966 5.9519 5.9519 5.9519 5.9519
12.6111 12.6111 12.6111 12.6111 13.6431 13.6431 13.6431 13.6431
14.5092 14.5092 14.5092 14.5092
k = 0.3980-0.0000 0.2500 ( 9700 PWs) bands (ev):
-8.9576 -8.9576 -8.9576 -8.9576 -7.7339 -7.7339 -7.7339 -7.7339
1.0317 1.0317 1.0317 1.0317 1.2631 1.2631 1.2631 1.2631
2.5375 2.5375 2.5375 2.5375 3.4926 3.4926 3.4926 3.4926
4.2025 4.2025 4.2025 4.2025 5.9605 5.9605 5.9605 5.9605
12.5435 12.5435 12.5435 12.5435 13.5796 13.5796 13.5796 13.5796
14.4536 14.4536 14.4536 14.4536
k = 0.4082-0.0000 0.2500 ( 9698 PWs) bands (ev):
-8.9408 -8.9408 -8.9408 -8.9408 -7.7186 -7.7186 -7.7186 -7.7186
0.9828 0.9828 0.9828 0.9828 1.2616 1.2616 1.2616 1.2616
2.5027 2.5027 2.5027 2.5027 3.5006 3.5006 3.5006 3.5006
4.2084 4.2084 4.2084 4.2084 5.9683 5.9683 5.9683 5.9683
12.4821 12.4821 12.4821 12.4821 13.5218 13.5218 13.5218 13.5218
14.4025 14.4025 14.4025 14.4025
k = 0.4184-0.0000 0.2500 ( 9702 PWs) bands (ev):
-8.9254 -8.9254 -8.9254 -8.9254 -7.7047 -7.7047 -7.7047 -7.7047
0.9370 0.9370 0.9370 0.9370 1.2609 1.2609 1.2609 1.2609
2.4714 2.4714 2.4714 2.4714 3.5088 3.5088 3.5088 3.5088
4.2140 4.2140 4.2140 4.2140 5.9754 5.9754 5.9754 5.9754
12.4270 12.4270 12.4270 12.4270 13.4697 13.4697 13.4697 13.4697
14.3562 14.3562 14.3562 14.3562
k = 0.4286-0.0000 0.2500 ( 9692 PWs) bands (ev):
-8.9116 -8.9116 -8.9116 -8.9116 -7.6922 -7.6922 -7.6922 -7.6922
0.8953 0.8953 0.8953 0.8953 1.2602 1.2602 1.2602 1.2602
2.4439 2.4439 2.4439 2.4439 3.5170 3.5170 3.5170 3.5170
4.2193 4.2193 4.2193 4.2193 5.9817 5.9817 5.9817 5.9817
12.3782 12.3782 12.3782 12.3782 13.4235 13.4235 13.4235 13.4235
14.3147 14.3147 14.3147 14.3147
k = 0.4388-0.0000 0.2500 ( 9702 PWs) bands (ev):
-8.8994 -8.8994 -8.8994 -8.8994 -7.6812 -7.6812 -7.6812 -7.6812
0.8584 0.8584 0.8584 0.8584 1.2594 1.2594 1.2594 1.2594
2.4203 2.4203 2.4203 2.4203 3.5247 3.5247 3.5247 3.5247
4.2241 4.2241 4.2241 4.2241 5.9872 5.9872 5.9872 5.9872
12.3359 12.3359 12.3359 12.3359 13.3832 13.3832 13.3832 13.3832
14.2785 14.2785 14.2785 14.2785
k = 0.4490-0.0000 0.2500 ( 9710 PWs) bands (ev):
-8.8889 -8.8889 -8.8889 -8.8889 -7.6718 -7.6718 -7.6718 -7.6718
0.8267 0.8267 0.8267 0.8267 1.2583 1.2583 1.2583 1.2583
2.4004 2.4004 2.4004 2.4004 3.5316 3.5316 3.5316 3.5316
4.2283 4.2283 4.2283 4.2283 5.9919 5.9919 5.9919 5.9919
12.2999 12.2999 12.2999 12.2999 13.3490 13.3490 13.3490 13.3490
14.2475 14.2475 14.2475 14.2475
k = 0.4592-0.0000 0.2500 ( 9700 PWs) bands (ev):
-8.8803 -8.8803 -8.8803 -8.8803 -7.6640 -7.6640 -7.6640 -7.6640
0.8005 0.8005 0.8005 0.8005 1.2571 1.2571 1.2571 1.2571
2.3844 2.3844 2.3844 2.3844 3.5376 3.5376 3.5376 3.5376
4.2318 4.2318 4.2318 4.2318 5.9957 5.9957 5.9957 5.9957
12.2704 12.2704 12.2704 12.2704 13.3208 13.3208 13.3208 13.3208
14.2219 14.2219 14.2219 14.2219
k = 0.4694-0.0000 0.2500 ( 9708 PWs) bands (ev):
-8.8735 -8.8735 -8.8735 -8.8735 -7.6579 -7.6579 -7.6579 -7.6579
0.7800 0.7800 0.7800 0.7800 1.2560 1.2560 1.2560 1.2560
2.3721 2.3721 2.3721 2.3721 3.5424 3.5424 3.5424 3.5424
4.2346 4.2346 4.2346 4.2346 5.9987 5.9987 5.9987 5.9987
12.2475 12.2475 12.2475 12.2475 13.2989 13.2989 13.2989 13.2989
14.2019 14.2019 14.2019 14.2019
k = 0.4796-0.0000 0.2500 ( 9700 PWs) bands (ev):
-8.8686 -8.8686 -8.8686 -8.8686 -7.6535 -7.6535 -7.6535 -7.6535
0.7652 0.7652 0.7652 0.7652 1.2551 1.2551 1.2551 1.2551
2.3634 2.3634 2.3634 2.3634 3.5459 3.5459 3.5459 3.5459
4.2366 4.2366 4.2366 4.2366 6.0008 6.0008 6.0008 6.0008
12.2311 12.2311 12.2311 12.2311 13.2832 13.2832 13.2832 13.2832
14.1876 14.1876 14.1876 14.1876
k = 0.4898-0.0000 0.2500 ( 9696 PWs) bands (ev):
-8.8657 -8.8657 -8.8657 -8.8657 -7.6508 -7.6508 -7.6508 -7.6508
0.7563 0.7563 0.7563 0.7563 1.2545 1.2545 1.2545 1.2545
2.3582 2.3582 2.3582 2.3582 3.5481 3.5481 3.5481 3.5481
4.2379 4.2379 4.2379 4.2379 6.0021 6.0021 6.0021 6.0021
12.2212 12.2212 12.2212 12.2212 13.2738 13.2738 13.2738 13.2738
14.1789 14.1789 14.1789 14.1789
k = 0.5000-0.0000 0.2500 ( 9684 PWs) bands (ev):
-8.8647 -8.8647 -8.8647 -8.8647 -7.6499 -7.6499 -7.6499 -7.6499
0.7533 0.7533 0.7533 0.7533 1.2543 1.2543 1.2543 1.2543
2.3565 2.3565 2.3565 2.3565 3.5488 3.5488 3.5488 3.5488
4.2383 4.2383 4.2383 4.2383 6.0025 6.0025 6.0025 6.0025
12.2180 12.2180 12.2180 12.2180 13.2707 13.2707 13.2707 13.2707
14.1761 14.1761 14.1761 14.1761
k = 0.5000-0.0000 0.2500 ( 9684 PWs) bands (ev):
-8.8647 -8.8647 -8.8647 -8.8647 -7.6499 -7.6499 -7.6499 -7.6499
0.7533 0.7533 0.7533 0.7533 1.2543 1.2543 1.2543 1.2543
2.3565 2.3565 2.3565 2.3565 3.5488 3.5488 3.5488 3.5488
4.2383 4.2383 4.2383 4.2383 6.0025 6.0025 6.0025 6.0025
12.2180 12.2180 12.2180 12.2180 13.2707 13.2707 13.2707 13.2707
14.1761 14.1761 14.1761 14.1761
k = 0.5000 0.0103 0.2500 ( 9684 PWs) bands (ev):
-8.8639 -8.8639 -8.8639 -8.8639 -7.6511 -7.6511 -7.6511 -7.6511
0.7522 0.7522 0.7537 0.7537 1.2553 1.2553 1.2573 1.2573
2.3534 2.3534 2.3591 2.3591 3.5473 3.5473 3.5528 3.5528
4.2295 4.2295 4.2426 4.2426 5.9969 5.9969 6.0090 6.0090
12.2147 12.2147 12.2180 12.2180 13.2745 13.2745 13.2774 13.2774
14.1697 14.1697 14.1752 14.1752
k = 0.5000 0.0206 0.2500 ( 9704 PWs) bands (ev):
-8.8616 -8.8616 -8.8615 -8.8615 -7.6547 -7.6547 -7.6546 -7.6546
0.7503 0.7503 0.7534 0.7534 1.2601 1.2601 1.2643 1.2643
2.3499 2.3499 2.3612 2.3612 3.5482 3.5482 3.5594 3.5594
4.2165 4.2165 4.2425 4.2425 5.9921 5.9921 6.0161 6.0161
12.2084 12.2084 12.2148 12.2148 13.2887 13.2887 13.2942 13.2942
14.1563 14.1563 14.1674 14.1674
k = 0.5000 0.0310 0.2500 ( 9708 PWs) bands (ev):
-8.8576 -8.8576 -8.8576 -8.8576 -7.6605 -7.6605 -7.6605 -7.6605
0.7480 0.7480 0.7525 0.7525 1.2683 1.2683 1.2749 1.2749
2.3458 2.3458 2.3632 2.3632 3.5515 3.5515 3.5684 3.5684
4.1996 4.1996 4.2383 4.2383 5.9879 5.9879 6.0234 6.0234
12.1999 12.1999 12.2090 12.2090 13.3127 13.3127 13.3203 13.3203
14.1362 14.1362 14.1530 14.1530
k = 0.5000 0.0413 0.2500 ( 9716 PWs) bands (ev):
-8.8521 -8.8521 -8.8520 -8.8520 -7.6687 -7.6687 -7.6686 -7.6686
0.7454 0.7454 0.7513 0.7513 1.2795 1.2795 1.2887 1.2887
2.3414 2.3414 2.3651 2.3651 3.5569 3.5569 3.5797 3.5797
4.1793 4.1793 4.2302 4.2302 5.9842 5.9842 6.0307 6.0307
12.1901 12.1901 12.2013 12.2013 13.3454 13.3454 13.3542 13.3542
14.1101 14.1101 14.1331 14.1331
k = 0.5000 0.0516 0.2500 ( 9712 PWs) bands (ev):
-8.8450 -8.8450 -8.8449 -8.8449 -7.6791 -7.6791 -7.6790 -7.6790
0.7430 0.7430 0.7502 0.7502 1.2929 1.2929 1.3051 1.3051
2.3369 2.3369 2.3673 2.3673 3.5641 3.5641 3.5930 3.5930
4.1564 4.1564 4.2188 4.2188 5.9805 5.9805 6.0372 6.0372
12.1800 12.1800 12.1928 12.1928 13.3854 13.3854 13.3945 13.3945
14.0789 14.0789 14.1084 14.1084
k = 0.5000 0.0619 0.2500 ( 9716 PWs) bands (ev):
-8.8363 -8.8363 -8.8362 -8.8362 -7.6916 -7.6916 -7.6915 -7.6915
0.7411 0.7411 0.7494 0.7494 1.3079 1.3079 1.3234 1.3234
2.3325 2.3325 2.3700 2.3700 3.5729 3.5729 3.6079 3.6079
4.1317 4.1317 4.2049 4.2049 5.9763 5.9763 6.0426 6.0426
12.1707 12.1707 12.1844 12.1844 13.4311 13.4311 13.4394 13.4394
14.0437 14.0437 14.0803 14.0803
k = 0.5000 0.0723 0.2500 ( 9712 PWs) bands (ev):
-8.8261 -8.8261 -8.8260 -8.8260 -7.7063 -7.7063 -7.7062 -7.7062
0.7399 0.7399 0.7494 0.7494 1.3234 1.3234 1.3428 1.3428
2.3286 2.3286 2.3738 2.3738 3.5826 3.5826 3.6235 3.6235
4.1067 4.1067 4.1895 4.1895 5.9711 5.9711 6.0460 6.0460
12.1631 12.1631 12.1773 12.1773 13.4807 13.4807 13.4869 13.4869
14.0058 14.0058 14.0502 14.0502
k = 0.5000 0.0826 0.2500 ( 9708 PWs) bands (ev):
-8.8144 -8.8144 -8.8142 -8.8142 -7.7231 -7.7231 -7.7230 -7.7230
0.7399 0.7399 0.7504 0.7504 1.3389 1.3389 1.3624 1.3624
2.3257 2.3257 2.3789 2.3789 3.5925 3.5925 3.6384 3.6384
4.0831 4.0831 4.1737 4.1737 5.9643 5.9643 6.0470 6.0470
12.1580 12.1580 12.1722 12.1722 13.5321 13.5321 13.5346 13.5346
13.9666 13.9666 14.0197 14.0197
k = 0.5000 0.0929 0.2500 ( 9712 PWs) bands (ev):
-8.8012 -8.8012 -8.8010 -8.8010 -7.7418 -7.7418 -7.7416 -7.7416
0.7412 0.7412 0.7527 0.7527 1.3534 1.3534 1.3813 1.3813
2.3243 2.3243 2.3859 2.3859 3.6017 3.6017 3.6508 3.6508
4.0632 4.0632 4.1591 4.1591 5.9553 5.9553 6.0448 6.0448
12.1562 12.1562 12.1699 12.1699 13.5796 13.5796 13.5824 13.5824
13.9283 13.9283 13.9911 13.9911
k = 0.5000 0.1032 0.2500 ( 9720 PWs) bands (ev):
-8.7865 -8.7865 -8.7863 -8.7863 -7.7624 -7.7624 -7.7622 -7.7622
0.7440 0.7440 0.7565 0.7565 1.3661 1.3661 1.3986 1.3986
2.3249 2.3249 2.3952 2.3952 3.6088 3.6088 3.6580 3.6580
4.0502 4.0502 4.1473 4.1473 5.9434 5.9434 6.0389 6.0389
12.1581 12.1581 12.1709 12.1709 13.6180 13.6180 13.6272 13.6272
13.8948 13.8948 13.9677 13.9677
k = 0.5000 0.1136 0.2500 ( 9708 PWs) bands (ev):
-8.7703 -8.7703 -8.7701 -8.7701 -7.7847 -7.7847 -7.7845 -7.7845
0.7485 0.7485 0.7620 0.7620 1.3764 1.3764 1.4134 1.4134
2.3283 2.3283 2.4072 2.4072 3.6124 3.6124 3.6572 3.6572
4.0472 4.0472 4.1404 4.1404 5.9282 5.9282 6.0288 6.0288
12.1642 12.1642 12.1759 12.1759 13.6447 13.6447 13.6578 13.6578
13.8742 13.8742 13.9537 13.9537
k = 0.5000 0.1239 0.2500 ( 9716 PWs) bands (ev):
-8.7528 -8.7528 -8.7526 -8.7526 -7.8087 -7.8087 -7.8085 -7.8085
0.7548 0.7548 0.7693 0.7693 1.3837 1.3837 1.4251 1.4251
2.3351 2.3351 2.4223 2.4223 3.6111 3.6111 3.6465 3.6465
4.0565 4.0565 4.1401 4.1401 5.9092 5.9092 6.0141 6.0141
12.1748 12.1748 12.1850 12.1850 13.6544 13.6544 13.6628 13.6628
13.8772 13.8772 13.9538 13.9538
k = 0.5000 0.1342 0.2500 ( 9720 PWs) bands (ev):
-8.7338 -8.7338 -8.7336 -8.7336 -7.8342 -7.8342 -7.8339 -7.8339
0.7629 0.7629 0.7784 0.7784 1.3874 1.3874 1.4327 1.4327
2.3456 2.3456 2.4406 2.4406 3.6035 3.6035 3.6256 3.6256
4.0785 4.0785 4.1480 4.1480 5.8859 5.8859 5.9942 5.9942
12.1900 12.1900 12.1984 12.1984 13.6414 13.6414 13.6458 13.6458
13.9043 13.9043 13.9689 13.9689
k = 0.5000 0.1445 0.2500 ( 9732 PWs) bands (ev):
-8.7135 -8.7135 -8.7133 -8.7133 -7.8611 -7.8611 -7.8608 -7.8608
0.7730 0.7730 0.7894 0.7894 1.3874 1.3874 1.4360 1.4360
2.3604 2.3604 2.4624 2.4624 3.5892 3.5892 3.5960 3.5960
4.1119 4.1119 4.1650 4.1650 5.8580 5.8580 5.9691 5.9691
12.2098 12.2098 12.2163 12.2163 13.6043 13.6043 13.6221 13.6221
13.9449 13.9449 13.9957 13.9957
k = 0.5000 0.1548 0.2500 ( 9728 PWs) bands (ev):
-8.6919 -8.6919 -8.6916 -8.6916 -7.8893 -7.8893 -7.8890 -7.8890
0.7850 0.7850 0.8024 0.8024 1.3835 1.3835 1.4346 1.4346
2.3796 2.3796 2.4877 2.4877 3.5597 3.5597 3.5682 3.5682
4.1548 4.1548 4.1911 4.1911 5.8254 5.8254 5.9384 5.9384
12.2343 12.2343 12.2386 12.2386 13.5593 13.5593 13.5878 13.5878
13.9913 13.9913 14.0298 14.0298
k = 0.5000 0.1652 0.2500 ( 9716 PWs) bands (ev):
-8.6690 -8.6690 -8.6687 -8.6687 -7.9186 -7.9186 -7.9184 -7.9184
0.7989 0.7989 0.8174 0.8174 1.3757 1.3757 1.4285 1.4285
2.4031 2.4031 2.5163 2.5163 3.5186 3.5186 3.5413 3.5413
4.2056 4.2056 4.2259 4.2259 5.7879 5.7879 5.9021 5.9021
12.2632 12.2632 12.2651 12.2651 13.5099 13.5099 13.5463 13.5463
14.0407 14.0407 14.0688 14.0688
k = 0.5000 0.1755 0.2500 ( 9728 PWs) bands (ev):
-8.6449 -8.6449 -8.6446 -8.6446 -7.9490 -7.9490 -7.9488 -7.9488
0.8147 0.8147 0.8343 0.8343 1.3642 1.3642 1.4178 1.4178
2.4310 2.4310 2.5481 2.5481 3.4739 3.4739 3.5094 3.5094
4.2627 4.2627 4.2685 4.2685 5.7454 5.7454 5.8602 5.8602
12.2957 12.2957 12.2963 12.2963 13.4575 13.4575 13.4996 13.4996
14.0927 14.0927 14.1117 14.1117
k = 0.5000 0.1858 0.2500 ( 9736 PWs) bands (ev):
-8.6196 -8.6196 -8.6193 -8.6193 -7.9803 -7.9803 -7.9801 -7.9801
0.8324 0.8324 0.8531 0.8531 1.3492 1.3492 1.4029 1.4029
2.4628 2.4628 2.5827 2.5827 3.4268 3.4268 3.4734 3.4734
4.3179 4.3179 4.3253 4.3253 5.6981 5.6981 5.8129 5.8129
12.3302 12.3302 12.3334 12.3334 13.4030 13.4030 13.4489 13.4489
14.1476 14.1476 14.1588 14.1588
k = 0.5000 0.1961 0.2500 ( 9748 PWs) bands (ev):
-8.5933 -8.5933 -8.5930 -8.5930 -8.0124 -8.0124 -8.0121 -8.0121
0.8518 0.8518 0.8738 0.8738 1.3310 1.3310 1.3842 1.3842
2.4981 2.4981 2.6199 2.6199 3.3779 3.3779 3.4343 3.4343
4.3732 4.3732 4.3924 4.3924 5.6460 5.6460 5.7602 5.7602
12.3681 12.3681 12.3741 12.3741 13.3467 13.3467 13.3948 13.3948
14.2066 14.2066 14.2109 14.2109
k = 0.5000 0.2065 0.2500 ( 9728 PWs) bands (ev):
-8.5658 -8.5658 -8.5655 -8.5655 -8.0452 -8.0452 -8.0449 -8.0449
0.8729 0.8729 0.8962 0.8962 1.3100 1.3100 1.3621 1.3621
2.5366 2.5366 2.6593 2.6593 3.3277 3.3277 3.3927 3.3927
4.4336 4.4336 4.4635 4.4635 5.5895 5.5895 5.7025 5.7025
12.4092 12.4092 12.4181 12.4181 13.2891 13.2891 13.3382 13.3382
14.2689 14.2689 14.2706 14.2706
k = 0.5000 0.2168 0.2500 ( 9720 PWs) bands (ev):
-8.5374 -8.5374 -8.5370 -8.5370 -8.0785 -8.0785 -8.0781 -8.0781
0.8956 0.8956 0.9202 0.9202 1.2867 1.2867 1.3373 1.3373
2.5777 2.5777 2.7006 2.7006 3.2766 3.2766 3.3492 3.3492
4.4984 4.4984 4.5379 4.5379 5.5287 5.5287 5.6401 5.6401
12.4532 12.4532 12.4650 12.4650 13.2305 13.2305 13.2795 13.2795
14.3338 14.3338 14.3407 14.3407
k = 0.5000 0.2271 0.2500 ( 9716 PWs) bands (ev):
-8.5080 -8.5080 -8.5077 -8.5077 -8.1121 -8.1121 -8.1118 -8.1118
0.9198 0.9198 0.9458 0.9458 1.2613 1.2613 1.3102 1.3102
2.6212 2.6212 2.7436 2.7436 3.2249 3.2249 3.3043 3.3043
4.5669 4.5669 4.6150 4.6150 5.4642 5.4642 5.5733 5.5733
12.4996 12.4996 12.5145 12.5145 13.1712 13.1712 13.2193 13.2193
14.4062 14.4062 14.4177 14.4177
k = 0.5000 0.2374 0.2500 ( 9728 PWs) bands (ev):
-8.4777 -8.4777 -8.4774 -8.4774 -8.1461 -8.1461 -8.1458 -8.1458
0.9453 0.9453 0.9729 0.9729 1.2344 1.2344 1.2813 1.2813
2.6666 2.6666 2.7878 2.7878 3.1729 3.1729 3.2583 3.2583
4.6384 4.6384 4.6945 4.6945 5.3962 5.3962 5.5027 5.5027
12.5483 12.5483 12.5663 12.5663 13.1115 13.1115 13.1581 13.1581
14.4867 14.4867 14.5022 14.5022
k = 0.5000 0.2478 0.2500 ( 9736 PWs) bands (ev):
-8.4467 -8.4467 -8.4464 -8.4464 -8.1803 -8.1803 -8.1799 -8.1799
0.9720 0.9720 1.0012 1.0012 1.2062 1.2062 1.2511 1.2511
2.7136 2.7136 2.8331 2.8331 3.1206 3.1206 3.2115 3.2115
4.7124 4.7124 4.7758 4.7758 5.3252 5.3252 5.4286 5.4286
12.5990 12.5990 12.6202 12.6202 13.0518 13.0518 13.0963 13.0963
14.5757 14.5757 14.5947 14.5947
k = 0.5000 0.2581 0.2500 ( 9728 PWs) bands (ev):
-8.4150 -8.4150 -8.4146 -8.4146 -8.2145 -8.2145 -8.2141 -8.2141
0.9998 0.9998 1.0307 1.0307 1.1771 1.1771 1.2199 1.2199
2.7619 2.7619 2.8793 2.8793 3.0683 3.0683 3.1642 3.1642
4.7883 4.7883 4.8583 4.8583 5.2517 5.2517 5.3517 5.3517
12.6514 12.6514 12.6757 12.6757 12.9922 12.9922 13.0344 13.0344
14.6733 14.6733 14.6954 14.6954
k = 0.5000 0.2684 0.2500 ( 9732 PWs) bands (ev):
-8.3826 -8.3826 -8.3823 -8.3823 -8.2486 -8.2486 -8.2483 -8.2483
1.0284 1.0284 1.0611 1.0611 1.1474 1.1474 1.1881 1.1881
2.8113 2.8113 2.9261 2.9261 3.0161 3.0161 3.1166 3.1166
4.8655 4.8655 4.9416 4.9416 5.1763 5.1763 5.2723 5.2723
12.7053 12.7053 12.7328 12.7328 12.9331 12.9331 12.9727 12.9727
14.7796 14.7796 14.8044 14.8044
k = 0.5000 0.2787 0.2500 ( 9736 PWs) bands (ev):
-8.3497 -8.3497 -8.3493 -8.3493 -8.2826 -8.2826 -8.2823 -8.2823
1.0577 1.0577 1.0923 1.0923 1.1174 1.1174 1.1560 1.1560
2.8616 2.8616 2.9641 2.9641 2.9734 2.9734 3.0688 3.0688
4.9434 4.9434 5.0252 5.0252 5.0994 5.0994 5.1911 5.1911
12.7607 12.7607 12.7913 12.7913 12.8747 12.8747 12.9114 12.9114
14.8944 14.8944 14.9216 14.9216
k = 0.5000 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.3163 -8.3163 -8.3163 -8.3163 -8.3160 -8.3160 -8.3160 -8.3160
1.0875 1.0875 1.0875 1.0875 1.1240 1.1240 1.1240 1.1240
2.9126 2.9126 2.9126 2.9126 3.0210 3.0210 3.0210 3.0210
5.0216 5.0216 5.0216 5.0216 5.1086 5.1086 5.1086 5.1086
12.8172 12.8172 12.8172 12.8172 12.8509 12.8509 12.8509 12.8509
15.0174 15.0174 15.0174 15.0174
k = 0.5000 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.3163 -8.3163 -8.3163 -8.3163 -8.3160 -8.3160 -8.3160 -8.3160
1.0875 1.0875 1.0875 1.0875 1.1240 1.1240 1.1240 1.1240
2.9126 2.9126 2.9126 2.9126 3.0210 3.0210 3.0210 3.0210
5.0216 5.0216 5.0216 5.0216 5.1086 5.1086 5.1086 5.1086
12.8172 12.8172 12.8172 12.8172 12.8509 12.8509 12.8509 12.8509
15.0174 15.0174 15.0174 15.0174
k = 0.4898 0.2891 0.2500 ( 9728 PWs) bands (ev):
-8.3173 -8.3173 -8.3172 -8.3172 -8.3169 -8.3169 -8.3169 -8.3169
1.0892 1.0892 1.0905 1.0905 1.1257 1.1257 1.1272 1.1272
2.9111 2.9111 2.9136 2.9136 3.0198 3.0198 3.0220 3.0220
5.0205 5.0205 5.0214 5.0214 5.1074 5.1074 5.1085 5.1085
12.8195 12.8195 12.8212 12.8212 12.8536 12.8536 12.8545 12.8545
15.0174 15.0174 15.0196 15.0196
k = 0.4796 0.2891 0.2500 ( 9732 PWs) bands (ev):
-8.3201 -8.3201 -8.3201 -8.3201 -8.3198 -8.3198 -8.3197 -8.3197
1.0958 1.0958 1.0984 1.0984 1.1324 1.1324 1.1355 1.1355
2.9091 2.9091 2.9142 2.9142 3.0183 3.0183 3.0226 3.0226
5.0182 5.0182 5.0199 5.0199 5.1049 5.1049 5.1072 5.1072
12.8283 12.8283 12.8316 12.8316 12.8627 12.8627 12.8645 12.8645
15.0198 15.0198 15.0240 15.0240
k = 0.4694 0.2891 0.2500 ( 9732 PWs) bands (ev):
-8.3249 -8.3249 -8.3247 -8.3247 -8.3245 -8.3245 -8.3244 -8.3244
1.1071 1.1071 1.1110 1.1110 1.1440 1.1440 1.1486 1.1486
2.9066 2.9066 2.9144 2.9144 3.0166 3.0166 3.0231 3.0231
5.0146 5.0146 5.0172 5.0172 5.1012 5.1012 5.1046 5.1046
12.8435 12.8435 12.8484 12.8484 12.8781 12.8781 12.8807 12.8807
15.0243 15.0243 15.0307 15.0307
k = 0.4592 0.2891 0.2500 ( 9728 PWs) bands (ev):
-8.3314 -8.3314 -8.3312 -8.3312 -8.3311 -8.3311 -8.3309 -8.3309
1.1230 1.1230 1.1282 1.1282 1.1604 1.1604 1.1666 1.1666
2.9039 2.9039 2.9142 2.9142 3.0148 3.0148 3.0235 3.0235
5.0098 5.0098 5.0133 5.0133 5.0963 5.0963 5.1009 5.1009
12.8650 12.8650 12.8715 12.8715 12.8999 12.8999 12.9033 12.9033
15.0310 15.0310 15.0393 15.0393
k = 0.4490 0.2891 0.2500 ( 9724 PWs) bands (ev):
-8.3397 -8.3397 -8.3395 -8.3395 -8.3394 -8.3394 -8.3392 -8.3392
1.1433 1.1433 1.1499 1.1499 1.1813 1.1813 1.1892 1.1892
2.9009 2.9009 2.9140 2.9140 3.0131 3.0131 3.0240 3.0240
5.0038 5.0038 5.0082 5.0082 5.0903 5.0903 5.0959 5.0959
12.8928 12.8928 12.9008 12.9008 12.9279 12.9279 12.9320 12.9320
15.0396 15.0396 15.0498 15.0498
k = 0.4388 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.3498 -8.3498 -8.3496 -8.3496 -8.3495 -8.3495 -8.3492 -8.3492
1.1678 1.1678 1.1759 1.1759 1.2066 1.2066 1.2162 1.2162
2.8980 2.8980 2.9137 2.9137 3.0115 3.0115 3.0248 3.0248
4.9966 4.9966 5.0018 5.0018 5.0831 5.0831 5.0898 5.0898
12.9268 12.9268 12.9363 12.9363 12.9620 12.9620 12.9669 12.9669
15.0500 15.0500 15.0620 15.0620
k = 0.4286 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.3616 -8.3616 -8.3613 -8.3613 -8.3612 -8.3612 -8.3609 -8.3609
1.1963 1.1963 1.2057 1.2057 1.2359 1.2359 1.2473 1.2473
2.8953 2.8953 2.9139 2.9139 3.0105 3.0105 3.0261 3.0261
4.9883 4.9883 4.9944 4.9944 5.0748 5.0748 5.0826 5.0826
12.9670 12.9670 12.9779 12.9779 13.0023 13.0023 13.0078 13.0078
15.0619 15.0619 15.0755 15.0755
k = 0.4184 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.3749 -8.3749 -8.3746 -8.3746 -8.3746 -8.3746 -8.3742 -8.3742
1.2282 1.2282 1.2392 1.2392 1.2690 1.2690 1.2822 1.2822
2.8931 2.8931 2.9146 2.9146 3.0102 3.0102 3.0282 3.0282
4.9790 4.9790 4.9859 4.9859 5.0655 5.0655 5.0744 5.0744
13.0132 13.0132 13.0255 13.0255 13.0486 13.0486 13.0546 13.0546
15.0751 15.0751 15.0901 15.0901
k = 0.4082 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.3898 -8.3898 -8.3894 -8.3894 -8.3894 -8.3894 -8.3891 -8.3891
1.2633 1.2633 1.2759 1.2759 1.3053 1.3053 1.3205 1.3205
2.8918 2.8918 2.9163 2.9163 3.0111 3.0111 3.0316 3.0316
4.9686 4.9686 4.9764 4.9764 5.0552 5.0552 5.0653 5.0653
13.0653 13.0653 13.0789 13.0789 13.1008 13.1008 13.1072 13.1072
15.0893 15.0893 15.1055 15.1055
k = 0.3980 0.2891 0.2500 ( 9712 PWs) bands (ev):
-8.4060 -8.4060 -8.4057 -8.4057 -8.4057 -8.4057 -8.4053 -8.4053
1.3011 1.3011 1.3153 1.3153 1.3445 1.3445 1.3617 1.3617
2.8918 2.8918 2.9194 2.9194 3.0135 3.0135 3.0366 3.0366
4.9572 4.9572 4.9660 4.9660 5.0440 5.0440 5.0552 5.0552
13.1232 13.1232 13.1380 13.1380 13.1587 13.1587 13.1655 13.1655
15.1042 15.1042 15.1213 15.1213
k = 0.3878 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.4237 -8.4237 -8.4233 -8.4233 -8.4233 -8.4233 -8.4229 -8.4229
1.3410 1.3410 1.3569 1.3569 1.3858 1.3858 1.4052 1.4052
2.8936 2.8936 2.9245 2.9245 3.0180 3.0180 3.0437 3.0437
4.9450 4.9450 4.9546 4.9546 5.0321 5.0321 5.0444 5.0444
13.1868 13.1868 13.2026 13.2026 13.2222 13.2222 13.2292 13.2292
15.1194 15.1194 15.1371 15.1371
k = 0.3776 0.2891 0.2500 ( 9712 PWs) bands (ev):
-8.4425 -8.4425 -8.4422 -8.4422 -8.4421 -8.4421 -8.4417 -8.4417
1.3824 1.3824 1.4000 1.4000 1.4287 1.4287 1.4503 1.4503
2.8978 2.8978 2.9320 2.9320 3.0250 3.0250 3.0534 3.0534
4.9319 4.9319 4.9426 4.9426 5.0195 5.0195 5.0329 5.0329
13.2558 13.2558 13.2725 13.2725 13.2912 13.2912 13.2981 13.2981
15.1348 15.1348 15.1527 15.1527
k = 0.3673 0.2891 0.2500 ( 9708 PWs) bands (ev):
-8.4625 -8.4625 -8.4621 -8.4621 -8.4620 -8.4620 -8.4617 -8.4617
1.4247 1.4247 1.4440 1.4440 1.4725 1.4725 1.4963 1.4963
2.9050 2.9050 2.9425 2.9425 3.0352 3.0352 3.0664 3.0664
4.9182 4.9182 4.9298 4.9298 5.0063 5.0063 5.0208 5.0208
13.3301 13.3301 13.3475 13.3475 13.3653 13.3653 13.3721 13.3721
15.1499 15.1499 15.1678 15.1678
k = 0.3571 0.2891 0.2500 ( 9704 PWs) bands (ev):
-8.4834 -8.4834 -8.4831 -8.4831 -8.4830 -8.4830 -8.4826 -8.4826
1.4671 1.4671 1.4881 1.4881 1.5163 1.5163 1.5423 1.5423
2.9159 2.9159 2.9569 2.9569 3.0493 3.0493 3.0832 3.0832
4.9038 4.9038 4.9164 4.9164 4.9926 4.9926 5.0083 5.0083
13.4094 13.4094 13.4274 13.4274 13.4445 13.4445 13.4509 13.4509
15.1646 15.1646 15.1819 15.1819
k = 0.3469 0.2891 0.2500 ( 9700 PWs) bands (ev):
-8.5053 -8.5053 -8.5050 -8.5050 -8.5048 -8.5048 -8.5045 -8.5045
1.5088 1.5088 1.5314 1.5314 1.5593 1.5593 1.5875 1.5875
2.9314 2.9314 2.9757 2.9757 3.0679 3.0679 3.1046 3.1046
4.8889 4.8889 4.9026 4.9026 4.9787 4.9787 4.9955 4.9955
13.4936 13.4936 13.5118 13.5118 13.5285 13.5285 13.5341 13.5341
15.1787 15.1787 15.1949 15.1949
k = 0.3367 0.2891 0.2500 ( 9692 PWs) bands (ev):
-8.5279 -8.5279 -8.5276 -8.5276 -8.5274 -8.5274 -8.5271 -8.5271
1.5491 1.5491 1.5732 1.5732 1.6006 1.6006 1.6309 1.6309
2.9521 2.9521 2.9996 2.9996 3.0916 3.0916 3.1310 3.1310
4.8737 4.8737 4.8885 4.8885 4.9645 4.9645 4.9825 4.9825
13.5822 13.5822 13.6005 13.6005 13.6169 13.6169 13.6214 13.6214
15.1921 15.1921 15.2066 15.2066
k = 0.3265 0.2891 0.2500 ( 9692 PWs) bands (ev):
-8.5512 -8.5512 -8.5509 -8.5509 -8.5507 -8.5507 -8.5504 -8.5504
1.5873 1.5873 1.6127 1.6127 1.6394 1.6394 1.6715 1.6715
2.9788 2.9788 3.0294 3.0294 3.1212 3.1212 3.1632 3.1632
4.8582 4.8582 4.8742 4.8742 4.9504 4.9504 4.9696 4.9696
13.6750 13.6750 13.6929 13.6929 13.7094 13.7094 13.7124 13.7124
15.2047 15.2047 15.2170 15.2170
k = 0.3163 0.2891 0.2500 ( 9696 PWs) bands (ev):
-8.5751 -8.5751 -8.5748 -8.5748 -8.5746 -8.5746 -8.5743 -8.5743
1.6226 1.6226 1.6492 1.6492 1.6750 1.6750 1.7085 1.7085
3.0121 3.0121 3.0655 3.0655 3.1571 3.1571 3.2016 3.2016
4.8426 4.8426 4.8598 4.8598 4.9364 4.9364 4.9568 4.9568
13.7717 13.7717 13.7888 13.7888 13.8056 13.8056 13.8065 13.8065
15.2167 15.2167 15.2259 15.2259
k = 0.3061 0.2891 0.2500 ( 9692 PWs) bands (ev):
-8.5994 -8.5994 -8.5991 -8.5991 -8.5989 -8.5989 -8.5986 -8.5986
1.6545 1.6545 1.6820 1.6820 1.7067 1.7067 1.7412 1.7412
3.0526 3.0526 3.1083 3.1083 3.1998 3.1998 3.2465 3.2465
4.8270 4.8270 4.8456 4.8456 4.9228 4.9228 4.9445 4.9445
13.8716 13.8716 13.8875 13.8875 13.9033 13.9033 13.9050 13.9050
15.2283 15.2283 15.2336 15.2336
k = 0.2959 0.2891 0.2500 ( 9692 PWs) bands (ev):
-8.6240 -8.6240 -8.6237 -8.6237 -8.6235 -8.6235 -8.6232 -8.6232
1.6827 1.6827 1.7106 1.7106 1.7341 1.7341 1.7692 1.7692
3.1002 3.1002 3.1580 3.1580 3.2494 3.2494 3.2982 3.2982
4.8117 4.8117 4.8317 4.8317 4.9098 4.9098 4.9329 4.9329
13.9744 13.9744 13.9883 13.9883 14.0019 14.0019 14.0070 14.0070
15.2399 15.2399 15.2403 15.2403
k = 0.2857 0.2891 0.2500 ( 9672 PWs) bands (ev):
-8.6488 -8.6488 -8.6486 -8.6486 -8.6483 -8.6483 -8.6480 -8.6480
1.7067 1.7067 1.7349 1.7349 1.7570 1.7570 1.7921 1.7921
3.1551 3.1551 3.2145 3.2145 3.3059 3.3059 3.3566 3.3566
4.7968 4.7968 4.8185 4.8185 4.8977 4.8977 4.9222 4.9222
14.0792 14.0792 14.0903 14.0903 14.1013 14.1013 14.1109 14.1109
15.2465 15.2465 15.2521 15.2521
k = 0.2755 0.2891 0.2500 ( 9684 PWs) bands (ev):
-8.6738 -8.6738 -8.6735 -8.6735 -8.6732 -8.6732 -8.6729 -8.6729
1.7266 1.7266 1.7547 1.7547 1.7752 1.7752 1.8101 1.8101
3.2167 3.2167 3.2773 3.2773 3.3689 3.3689 3.4213 3.4213
4.7827 4.7827 4.8061 4.8061 4.8868 4.8868 4.9128 4.9128
14.1853 14.1853 14.1924 14.1924 14.2003 14.2003 14.2157 14.2157
15.2527 15.2527 15.2659 15.2659
k = 0.2653 0.2891 0.2500 ( 9684 PWs) bands (ev):
-8.6987 -8.6987 -8.6984 -8.6984 -8.6981 -8.6981 -8.6979 -8.6979
1.7425 1.7425 1.7701 1.7701 1.7891 1.7891 1.8232 1.8232
3.2843 3.2843 3.3458 3.3458 3.4380 3.4380 3.4920 3.4920
4.7696 4.7696 4.7949 4.7949 4.8775 4.8775 4.9051 4.9051
14.2915 14.2915 14.2931 14.2931 14.2973 14.2973 14.3200 14.3200
15.2601 15.2601 15.2802 15.2808
k = 0.2551 0.2891 0.2500 ( 9704 PWs) bands (ev):
-8.7235 -8.7235 -8.7232 -8.7232 -8.7230 -8.7230 -8.7227 -8.7227
1.7544 1.7544 1.7814 1.7814 1.7988 1.7988 1.8318 1.8318
3.3570 3.3570 3.4191 3.4191 3.5123 3.5123 3.5679 3.5679
4.7581 4.7581 4.7854 4.7854 4.8703 4.8703 4.8994 4.8994
14.3905 14.3905 14.3906 14.3906 14.3962 14.3962 14.4221 14.4221
15.2699 15.2699 15.2861 15.2861
k = 0.2449 0.2891 0.2500 ( 9704 PWs) bands (ev):
-8.7481 -8.7481 -8.7479 -8.7479 -8.7476 -8.7476 -8.7473 -8.7473
1.7628 1.7628 1.7889 1.7889 1.8048 1.8048 1.8365 1.8365
3.4337 3.4337 3.4962 3.4962 3.5908 3.5908 3.6480 3.6480
4.7485 4.7485 4.7782 4.7782 4.8657 4.8657 4.8964 4.8964
14.4773 14.4773 14.4824 14.4824 14.4974 14.4974 14.5197 14.5197
15.2840 15.2840 15.2952 15.2952
k = 0.2347 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.7725 -8.7725 -8.7722 -8.7722 -8.7719 -8.7719 -8.7716 -8.7716
1.7679 1.7679 1.7931 1.7931 1.8076 1.8076 1.8378 1.8378
3.5129 3.5129 3.5757 3.5757 3.6722 3.6722 3.7309 3.7309
4.7416 4.7416 4.7738 4.7738 4.8644 4.8644 4.8967 4.8967
14.5551 14.5551 14.5656 14.5656 14.5924 14.5924 14.6096 14.6096
15.3049 15.3050 15.3097 15.3097
k = 0.2245 0.2891 0.2500 ( 9712 PWs) bands (ev):
-8.7964 -8.7964 -8.7961 -8.7961 -8.7959 -8.7959 -8.7956 -8.7956
1.7702 1.7702 1.7943 1.7943 1.8075 1.8075 1.8361 1.8361
3.5933 3.5933 3.6561 3.6561 3.7550 3.7550 3.8153 3.8153
4.7384 4.7384 4.7733 4.7733 4.8672 4.8672 4.9010 4.9010
14.6217 14.6217 14.6376 14.6376 14.6777 14.6777 14.6884 14.6884
15.3321 15.3321 15.3354 15.3354
k = 0.2143 0.2891 0.2500 ( 9700 PWs) bands (ev):
-8.8198 -8.8198 -8.8196 -8.8196 -8.8193 -8.8193 -8.8191 -8.8191
1.7701 1.7701 1.7929 1.7929 1.8051 1.8051 1.8320 1.8320
3.6731 3.6731 3.7357 3.7357 3.8373 3.8373 3.8992 3.8992
4.7401 4.7401 4.7777 4.7777 4.8751 4.8751 4.9103 4.9103
14.6753 14.6753 14.6960 14.6960 14.7497 14.7497 14.7527 14.7527
15.3649 15.3649 15.3777 15.3777
k = 0.2041 0.2891 0.2500 ( 9708 PWs) bands (ev):
-8.8427 -8.8427 -8.8425 -8.8425 -8.8422 -8.8422 -8.8420 -8.8420
1.7679 1.7679 1.7895 1.7895 1.8007 1.8007 1.8260 1.8260
3.7508 3.7508 3.8128 3.8128 3.9170 3.9170 3.9801 3.9801
4.7485 4.7485 4.7885 4.7885 4.8891 4.8891 4.9253 4.9253
14.7157 14.7157 14.7401 14.7401 14.8007 14.8007 14.8056 14.8056
15.4096 15.4096 15.4320 15.4320
k = 0.1939 0.2891 0.2500 ( 9712 PWs) bands (ev):
-8.8650 -8.8650 -8.8647 -8.8647 -8.8645 -8.8645 -8.8642 -8.8642
1.7640 1.7640 1.7843 1.7843 1.7947 1.7947 1.8184 1.8184
3.8245 3.8245 3.8855 3.8855 3.9916 3.9916 4.0554 4.0554
4.7657 4.7657 4.8075 4.8075 4.9106 4.9106 4.9473 4.9473
14.7439 14.7439 14.7707 14.7707 14.8330 14.8330 14.8448 14.8448
15.4648 15.4648 15.4958 15.4958
k = 0.1837 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.8865 -8.8865 -8.8863 -8.8863 -8.8861 -8.8861 -8.8858 -8.8858
1.7587 1.7587 1.7778 1.7778 1.7875 1.7875 1.8096 1.8096
3.8927 3.8927 3.9519 3.9519 4.0589 4.0589 4.1219 4.1219
4.7939 4.7939 4.8362 4.8362 4.9405 4.9405 4.9770 4.9770
14.7617 14.7617 14.7898 14.7898 14.8521 14.8521 14.8691 14.8691
15.5261 15.5261 15.5640 15.5640
k = 0.1735 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.9073 -8.9073 -8.9070 -8.9070 -8.9068 -8.9068 -8.9066 -8.9066
1.7524 1.7524 1.7702 1.7702 1.7795 1.7795 1.8000 1.8000
3.9539 3.9539 4.0106 4.0106 4.1166 4.1166 4.1773 4.1773
4.8351 4.8351 4.8762 4.8762 4.9797 4.9797 5.0151 5.0151
14.7711 14.7711 14.7996 14.7996 14.8609 14.8609 14.8815 14.8815
15.5872 15.5872 15.6301 15.6301
k = 0.1633 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.9272 -8.9272 -8.9269 -8.9269 -8.9268 -8.9268 -8.9265 -8.9265
1.7453 1.7453 1.7619 1.7619 1.7708 1.7708 1.7898 1.7898
4.0074 4.0074 4.0607 4.0607 4.1637 4.1637 4.2203 4.2203
4.8896 4.8896 4.9278 4.9278 5.0284 5.0284 5.0619 5.0619
14.7739 14.7739 14.8022 14.8022 14.8621 14.8621 14.8850 14.8850
15.6410 15.6410 15.6870 15.6870
k = 0.1531 0.2891 0.2500 ( 9712 PWs) bands (ev):
-8.9462 -8.9462 -8.9459 -8.9459 -8.9458 -8.9458 -8.9455 -8.9455
1.7377 1.7377 1.7531 1.7531 1.7617 1.7617 1.7792 1.7792
4.0525 4.0525 4.1019 4.1019 4.2001 4.2001 4.2513 4.2513
4.9563 4.9563 4.9903 4.9903 5.0861 5.0861 5.1170 5.1170
14.7715 14.7715 14.7992 14.7992 14.8577 14.8577 14.8819 14.8819
15.6805 15.6805 15.7277 15.7277
k = 0.1429 0.2891 0.2500 ( 9724 PWs) bands (ev):
-8.9642 -8.9642 -8.9640 -8.9640 -8.9638 -8.9638 -8.9636 -8.9636
1.7298 1.7298 1.7440 1.7440 1.7524 1.7524 1.7686 1.7686
4.0897 4.0897 4.1346 4.1346 4.2269 4.2269 4.2722 4.2722
5.0326 5.0326 5.0618 5.0618 5.1515 5.1515 5.1794 5.1794
14.7649 14.7649 14.7918 14.7918 14.8490 14.8490 14.8739 14.8739
15.6999 15.6999 15.7464 15.7464
k = 0.1327 0.2891 0.2500 ( 9716 PWs) bands (ev):
-8.9812 -8.9812 -8.9810 -8.9810 -8.9809 -8.9809 -8.9806 -8.9806
1.7217 1.7217 1.7348 1.7348 1.7432 1.7432 1.7580 1.7580
4.1195 4.1195 4.1598 4.1598 4.2458 4.2458 4.2853 4.2853
5.1154 5.1154 5.1400 5.1400 5.2231 5.2231 5.2477 5.2477
14.7549 14.7549 14.7809 14.7809 14.8369 14.8369 14.8620 14.8620
15.6960 15.6960 15.7398 15.7398
k = 0.1224 0.2891 0.2500 ( 9708 PWs) bands (ev):
-8.9972 -8.9972 -8.9969 -8.9969 -8.9968 -8.9968 -8.9966 -8.9966
1.7137 1.7137 1.7257 1.7257 1.7342 1.7342 1.7476 1.7476
4.1429 4.1429 4.1787 4.1787 4.2586 4.2586 4.2926 4.2926
5.2017 5.2017 5.2221 5.2221 5.2988 5.2988 5.3201 5.3201
14.7420 14.7420 14.7670 14.7670 14.8218 14.8218 14.8469 14.8469
15.6690 15.6690 15.7085 15.7085
k = 0.1122 0.2891 0.2500 ( 9712 PWs) bands (ev):
-9.0120 -9.0120 -9.0118 -9.0118 -9.0117 -9.0117 -9.0114 -9.0114
1.7059 1.7059 1.7168 1.7168 1.7254 1.7254 1.7376 1.7376
4.1609 4.1609 4.1924 4.1924 4.2668 4.2668 4.2961 4.2961
5.2891 5.2891 5.3058 5.3058 5.3765 5.3765 5.3948 5.3948
14.7266 14.7266 14.7506 14.7506 14.8041 14.8041 14.8288 14.8288
15.6227 15.6227 15.6570 15.6570
k = 0.1020 0.2891 0.2500 ( 9708 PWs) bands (ev):
-9.0257 -9.0257 -9.0254 -9.0254 -9.0254 -9.0254 -9.0251 -9.0251
1.6985 1.6985 1.7082 1.7082 1.7171 1.7171 1.7281 1.7281
4.1746 4.1746 4.2020 4.2020 4.2717 4.2717 4.2968 4.2968
5.3754 5.3754 5.3890 5.3890 5.4544 5.4544 5.4699 5.4699
14.7089 14.7089 14.7318 14.7318 14.7837 14.7837 14.8079 14.8079
15.5630 15.5630 15.5920 15.5920
k = 0.0918 0.2891 0.2500 ( 9696 PWs) bands (ev):
-9.0381 -9.0381 -9.0379 -9.0379 -9.0379 -9.0379 -9.0377 -9.0377
1.6914 1.6914 1.7001 1.7001 1.7094 1.7094 1.7191 1.7191
4.1849 4.1849 4.2086 4.2086 4.2744 4.2744 4.2958 4.2958
5.4587 5.4587 5.4697 5.4697 5.5306 5.5306 5.5436 5.5436
14.6892 14.6892 14.7108 14.7108 14.7607 14.7607 14.7840 14.7840
15.4969 15.4969 15.5206 15.5206
k = 0.0816 0.2891 0.2500 ( 9700 PWs) bands (ev):
-9.0494 -9.0494 -9.0492 -9.0492 -9.0492 -9.0492 -9.0489 -9.0489
1.6849 1.6849 1.6926 1.6926 1.7022 1.7022 1.7108 1.7108
4.1925 4.1925 4.2128 4.2128 4.2755 4.2755 4.2936 4.2936
5.5375 5.5375 5.5464 5.5464 5.6034 5.6034 5.6142 5.6142
14.6677 14.6677 14.6881 14.6881 14.7350 14.7350 14.7572 14.7572
15.4301 15.4301 15.4489 15.4489
k = 0.0714 0.2891 0.2500 ( 9696 PWs) bands (ev):
-9.0594 -9.0594 -9.0592 -9.0592 -9.0592 -9.0592 -9.0590 -9.0590
1.6791 1.6791 1.6858 1.6858 1.6959 1.6959 1.7033 1.7033
4.1982 4.1982 4.2154 4.2154 4.2757 4.2757 4.2909 4.2909
5.6105 5.6105 5.6176 5.6176 5.6715 5.6715 5.6803 5.6803
14.6450 14.6450 14.6641 14.6641 14.7069 14.7069 14.7277 14.7277
15.3676 15.3676 15.3818 15.3818
k = 0.0612 0.2891 0.2500 ( 9704 PWs) bands (ev):
-9.0681 -9.0681 -9.0679 -9.0679 -9.0679 -9.0679 -9.0677 -9.0677
1.6739 1.6739 1.6796 1.6796 1.6903 1.6903 1.6966 1.6966
4.2023 4.2023 4.2166 4.2166 4.2754 4.2754 4.2879 4.2879
5.6764 5.6764 5.6820 5.6820 5.7334 5.7334 5.7405 5.7405
14.6217 14.6217 14.6395 14.6395 14.6771 14.6771 14.6963 14.6963
15.3126 15.3126 15.3227 15.3227
k = 0.0510 0.2891 0.2500 ( 9716 PWs) bands (ev):
-9.0755 -9.0755 -9.0754 -9.0754 -9.0753 -9.0753 -9.0751 -9.0751
1.6695 1.6695 1.6743 1.6743 1.6855 1.6855 1.6908 1.6908
4.2054 4.2054 4.2171 4.2171 4.2748 4.2748 4.2849 4.2849
5.7341 5.7341 5.7385 5.7385 5.7879 5.7879 5.7936 5.7936
14.5990 14.5990 14.6156 14.6156 14.6465 14.6465 14.6643 14.6643
15.2670 15.2670 15.2734 15.2734
k = 0.0408 0.2891 0.2500 ( 9704 PWs) bands (ev):
-9.0816 -9.0816 -9.0815 -9.0815 -9.0814 -9.0814 -9.0813 -9.0813
1.6660 1.6660 1.6697 1.6697 1.6816 1.6816 1.6858 1.6858
4.2078 4.2078 4.2169 4.2169 4.2741 4.2741 4.2821 4.2821
5.7828 5.7828 5.7861 5.7861 5.8341 5.8341 5.8384 5.8384
14.5782 14.5782 14.5937 14.5937 14.6170 14.6170 14.6333 14.6333
15.2314 15.2314 15.2347 15.2347
k = 0.0306 0.2891 0.2500 ( 9700 PWs) bands (ev):
-9.0864 -9.0864 -9.0863 -9.0863 -9.0861 -9.0861 -9.0860 -9.0860
1.6633 1.6633 1.6661 1.6661 1.6787 1.6787 1.6818 1.6818
4.2096 4.2096 4.2163 4.2163 4.2737 4.2737 4.2796 4.2796
5.8216 5.8216 5.8240 5.8240 5.8710 5.8710 5.8742 5.8742
14.5609 14.5609 14.5755 14.5755 14.5903 14.5903 14.6054 14.6054
15.2058 15.2058 15.2066 15.2066
k = 0.0204 0.2891 0.2500 ( 9696 PWs) bands (ev):
-9.0897 -9.0897 -9.0897 -9.0897 -9.0895 -9.0895 -9.0895 -9.0895
1.6614 1.6614 1.6633 1.6633 1.6768 1.6768 1.6788 1.6788
4.2111 4.2111 4.2155 4.2155 4.2736 4.2736 4.2774 4.2774
5.8499 5.8499 5.8514 5.8514 5.8981 5.8981 5.9001 5.9001
14.5486 14.5486 14.5626 14.5626 14.5683 14.5683 14.5826 14.5826
15.1884 15.1884 15.1896 15.1896
k = 0.0102 0.2891 0.2500 ( 9684 PWs) bands (ev):
-9.0918 -9.0918 -9.0918 -9.0918 -9.0915 -9.0915 -9.0915 -9.0915
1.6605 1.6605 1.6614 1.6614 1.6758 1.6758 1.6768 1.6768
4.2123 4.2123 4.2145 4.2145 4.2739 4.2739 4.2758 4.2758
5.8672 5.8672 5.8679 5.8679 5.9147 5.9147 5.9157 5.9157
14.5426 14.5426 14.5525 14.5525 14.5563 14.5563 14.5662 14.5662
15.1796 15.1796 15.1822 15.1822
k = 0.0000 0.2891 0.2500 ( 9676 PWs) bands (ev):
-9.0924 -9.0924 -9.0924 -9.0924 -9.0922 -9.0922 -9.0922 -9.0922
1.6605 1.6605 1.6605 1.6605 1.6758 1.6758 1.6758 1.6758
4.2135 4.2135 4.2135 4.2135 4.2746 4.2746 4.2746 4.2746
5.8732 5.8732 5.8732 5.8732 5.9206 5.9206 5.9206 5.9206
14.5438 14.5438 14.5438 14.5438 14.5574 14.5574 14.5574 14.5574
15.1799 15.1799 15.1799 15.1800
k = 0.0000 0.2891 0.2500 ( 9676 PWs) bands (ev):
-9.0924 -9.0924 -9.0924 -9.0924 -9.0922 -9.0922 -9.0922 -9.0922
1.6605 1.6605 1.6605 1.6605 1.6758 1.6758 1.6758 1.6758
4.2135 4.2135 4.2135 4.2135 4.2746 4.2746 4.2746 4.2746
5.8732 5.8732 5.8732 5.8732 5.9206 5.9206 5.9206 5.9206
14.5438 14.5438 14.5438 14.5438 14.5574 14.5574 14.5574 14.5574
15.1799 15.1799 15.1799 15.1800
k = 0.0000 0.2787 0.2500 ( 9676 PWs) bands (ev):
-9.1274 -9.1274 -9.1271 -9.1271 -9.0571 -9.0571 -9.0569 -9.0569
1.6003 1.6003 1.6148 1.6148 1.7218 1.7218 1.7380 1.7380
4.1282 4.1282 4.1809 4.1809 4.2959 4.2959 4.3662 4.3662
5.8559 5.8559 5.8915 5.8915 5.9072 5.9072 5.9360 5.9360
14.4879 14.4879 14.5033 14.5033 14.5924 14.5924 14.6033 14.6033
15.1203 15.1203 15.1224 15.1224
k = 0.0000 0.2684 0.2500 ( 9690 PWs) bands (ev):
-9.1618 -9.1618 -9.1616 -9.1616 -9.0215 -9.0215 -9.0213 -9.0213
1.5414 1.5414 1.5550 1.5550 1.7841 1.7841 1.8012 1.8012
4.0405 4.0405 4.0859 4.0859 4.3746 4.3746 4.4551 4.4551
5.8396 5.8396 5.8959 5.8959 5.9107 5.9107 5.9531 5.9531
14.4289 14.4289 14.4455 14.4455 14.6281 14.6281 14.6354 14.6354
15.0806 15.0806 15.0823 15.0823
k = 0.0000 0.2581 0.2500 ( 9702 PWs) bands (ev):
-9.1956 -9.1956 -9.1954 -9.1954 -8.9857 -8.9857 -8.9854 -8.9854
1.4839 1.4839 1.4966 1.4966 1.8474 1.8474 1.8653 1.8653
3.9513 3.9513 3.9900 3.9900 4.4490 4.4490 4.5408 4.5408
5.8247 5.8247 5.8868 5.8868 5.9304 5.9304 5.9718 5.9718
14.3699 14.3699 14.3869 14.3869 14.6448 14.6448 14.6482 14.6482
15.0659 15.0659 15.0680 15.0680
k = 0.0000 0.2478 0.2500 ( 9698 PWs) bands (ev):
-9.2288 -9.2288 -9.2286 -9.2286 -8.9497 -8.9497 -8.9495 -8.9495
1.4279 1.4279 1.4398 1.4398 1.9113 1.9113 1.9301 1.9301
3.8612 3.8612 3.8940 3.8940 4.5186 4.5186 4.6224 4.6224
5.8112 5.8112 5.8801 5.8801 5.9507 5.9507 5.9919 5.9919
14.3132 14.3132 14.3302 14.3302 14.6404 14.6404 14.6407 14.6407
15.0774 15.0774 15.0800 15.0800
k = 0.0000 0.2374 0.2500 ( 9702 PWs) bands (ev):
-9.2612 -9.2612 -9.2610 -9.2610 -8.9139 -8.9139 -8.9136 -8.9136
1.3734 1.3734 1.3845 1.3845 1.9757 1.9757 1.9954 1.9954
3.7709 3.7709 3.7983 3.7983 4.5828 4.5828 4.6996 4.6996
5.7994 5.7994 5.8757 5.8757 5.9712 5.9712 6.0130 6.0130
14.2609 14.2609 14.2774 14.2774 14.6171 14.6171 14.6202 14.6202
15.1100 15.1100 15.1126 15.1126
k = 0.0000 0.2271 0.2500 ( 9686 PWs) bands (ev):
-9.2927 -9.2927 -9.2925 -9.2925 -8.8781 -8.8781 -8.8779 -8.8779
1.3205 1.3205 1.3309 1.3309 2.0405 2.0405 2.0609 2.0609
3.6811 3.6811 3.7036 3.7036 4.6413 4.6413 4.7716 4.7716
5.7894 5.7894 5.8737 5.8737 5.9919 5.9919 6.0350 6.0350
14.2145 14.2145 14.2303 14.2303 14.5852 14.5852 14.5901 14.5901
15.1566 15.1566 15.1587 15.1587
k = 0.0000 0.2168 0.2500 ( 9682 PWs) bands (ev):
-9.3234 -9.3234 -9.3232 -9.3232 -8.8427 -8.8427 -8.8425 -8.8425
1.2694 1.2694 1.2790 1.2790 2.1053 2.1053 2.1263 2.1263
3.5924 3.5924 3.6105 3.6105 4.6938 4.6938 4.8379 4.8379
5.7814 5.7814 5.8739 5.8739 6.0124 6.0124 6.0573 6.0573
14.1755 14.1755 14.1902 14.1902 14.5496 14.5496 14.5557 14.5557
15.2115 15.2115 15.2127 15.2127
k = 0.0000 0.2065 0.2500 ( 9684 PWs) bands (ev):
-9.3530 -9.3530 -9.3528 -9.3528 -8.8076 -8.8076 -8.8074 -8.8074
1.2200 1.2200 1.2290 1.2290 2.1698 2.1698 2.1914 2.1914
3.5055 3.5055 3.5195 3.5195 4.7404 4.7404 4.8981 4.8981
5.7754 5.7754 5.8762 5.8762 6.0327 6.0327 6.0798 6.0798
14.1450 14.1450 14.1586 14.1586 14.5132 14.5132 14.5199 14.5199
15.2713 15.2713 15.2714 15.2714
k = 0.0000 0.1961 0.2500 ( 9688 PWs) bands (ev):
-9.3816 -9.3816 -9.3814 -9.3814 -8.7731 -8.7731 -8.7729 -8.7729
1.1725 1.1725 1.1808 1.1808 2.2337 2.2337 2.2555 2.2555
3.4211 3.4211 3.4312 3.4312 4.7810 4.7810 4.9518 4.9518
5.7716 5.7716 5.8803 5.8803 6.0525 6.0525 6.1019 6.1019
14.1240 14.1240 14.1363 14.1363 14.4774 14.4774 14.4846 14.4846
15.3331 15.3331 15.3341 15.3341
k = 0.0000 0.1858 0.2500 ( 9682 PWs) bands (ev):
-9.4091 -9.4091 -9.4089 -9.4089 -8.7392 -8.7392 -8.7390 -8.7390
1.1269 1.1269 1.1346 1.1346 2.2964 2.2964 2.3181 2.3181
3.3402 3.3402 3.3464 3.3464 4.8161 4.8161 4.9988 4.9988
5.7700 5.7700 5.8859 5.8859 6.0716 6.0716 6.1232 6.1232
14.1132 14.1132 14.1243 14.1243 14.4431 14.4431 14.4507 14.4507
15.3966 15.3966 15.3986 15.3986
k = 0.0000 0.1755 0.2500 ( 9686 PWs) bands (ev):
-9.4354 -9.4354 -9.4352 -9.4352 -8.7062 -8.7062 -8.7060 -8.7060
1.0833 1.0833 1.0903 1.0903 2.3573 2.3573 2.3785 2.3785
3.2636 3.2636 3.2659 3.2659 4.8459 4.8459 5.0392 5.0392
5.7704 5.7704 5.8927 5.8927 6.0897 6.0897 6.1433 6.1433
14.1131 14.1131 14.1232 14.1232 14.4107 14.4107 14.4187 14.4187
15.4611 15.4611 15.4641 15.4641
k = 0.0000 0.1652 0.2500 ( 9684 PWs) bands (ev):
-9.4605 -9.4605 -9.4603 -9.4603 -8.6740 -8.6740 -8.6738 -8.6738
1.0417 1.0417 1.0482 1.0482 2.4154 2.4154 2.4354 2.4354
3.1907 3.1907 3.1927 3.1927 4.8711 4.8711 5.0729 5.0729
5.7728 5.7728 5.9001 5.9001 6.1067 6.1067 6.1619 6.1619
14.1239 14.1239 14.1333 14.1333 14.3807 14.3807 14.3892 14.3892
15.5261 15.5261 15.5300 15.5300
k = 0.0000 0.1548 0.2500 ( 9684 PWs) bands (ev):
-9.4843 -9.4843 -9.4841 -9.4841 -8.6430 -8.6430 -8.6428 -8.6428
1.0023 1.0023 1.0082 1.0082 2.4693 2.4693 2.4871 2.4871
3.1223 3.1223 3.1292 3.1292 4.8922 4.8922 5.1004 5.1004
5.7769 5.7769 5.9080 5.9080 6.1225 6.1225 6.1786 6.1786
14.1453 14.1453 14.1544 14.1544 14.3537 14.3537 14.3629 14.3629
15.5910 15.5910 15.5959 15.5959
k = 0.0000 0.1445 0.2500 ( 9660 PWs) bands (ev):
-9.5067 -9.5067 -9.5066 -9.5066 -8.6131 -8.6131 -8.6129 -8.6129
0.9650 0.9650 0.9703 0.9703 2.5168 2.5168 2.5311 2.5311
3.0629 3.0629 3.0755 3.0755 4.9098 4.9098 5.1219 5.1219
5.7822 5.7822 5.9157 5.9157 6.1370 6.1370 6.1931 6.1931
14.1758 14.1758 14.1853 14.1853 14.3313 14.3313 14.3416 14.3416
15.6555 15.6555 15.6613 15.6613
k = 0.0000 0.1342 0.2500 ( 9688 PWs) bands (ev):
-9.5278 -9.5278 -9.5277 -9.5277 -8.5846 -8.5846 -8.5844 -8.5844
0.9299 0.9299 0.9348 0.9348 2.5548 2.5548 2.5640 2.5640
3.0156 3.0156 3.0352 3.0352 4.9245 4.9245 5.1381 5.1381
5.7884 5.7884 5.9230 5.9230 6.1500 6.1500 6.2053 6.2053
14.2097 14.2097 14.2203 14.2203 14.3190 14.3190 14.3310 14.3310
15.7190 15.7190 15.7258 15.7258
k = 0.0000 0.1239 0.2500 ( 9690 PWs) bands (ev):
-9.5475 -9.5475 -9.5474 -9.5474 -8.5575 -8.5575 -8.5574 -8.5574
0.8971 0.8971 0.9015 0.9015 2.5788 2.5788 2.5820 2.5820
2.9847 2.9847 3.0118 3.0118 4.9371 4.9371 5.1494 5.1494
5.7952 5.7952 5.9294 5.9294 6.1615 6.1615 6.2151 6.2151
14.2309 14.2309 14.2391 14.2391 14.3371 14.3371 14.3471 14.3471
15.7811 15.7811 15.7888 15.7888
k = 0.0000 0.1136 0.2500 ( 9704 PWs) bands (ev):
-9.5658 -9.5658 -9.5656 -9.5656 -8.5321 -8.5321 -8.5319 -8.5319
0.8666 0.8666 0.8706 0.8706 2.5832 2.5832 2.5856 2.5856
2.9735 2.9735 3.0071 3.0071 4.9479 4.9479 5.1563 5.1563
5.8023 5.8023 5.9347 5.9347 6.1717 6.1717 6.2227 6.2227
14.2296 14.2296 14.2332 14.2332 14.3939 14.3939 14.3993 14.3993
15.8412 15.8412 15.8499 15.8499
k = 0.0000 0.1032 0.2500 ( 9696 PWs) bands (ev):
-9.5825 -9.5825 -9.5824 -9.5824 -8.5084 -8.5084 -8.5082 -8.5082
0.8386 0.8386 0.8421 0.8421 2.5698 2.5698 2.5756 2.5756
2.9811 2.9811 3.0185 3.0185 4.9576 4.9576 5.1595 5.1595
5.8094 5.8094 5.9385 5.9385 6.1806 6.1806 6.2281 6.2281
14.2183 14.2183 14.2194 14.2194 14.4719 14.4719 14.4747 14.4747
15.8987 15.8987 15.9083 15.9083
k = 0.0000 0.0929 0.2500 ( 9698 PWs) bands (ev):
-9.5978 -9.5978 -9.5977 -9.5977 -8.4865 -8.4865 -8.4864 -8.4864
0.8130 0.8130 0.8161 0.8161 2.5467 2.5467 2.5539 2.5539
3.0025 3.0025 3.0410 3.0410 4.9667 4.9667 5.1593 5.1593
5.8165 5.8165 5.9406 5.9406 6.1883 6.1883 6.2316 6.2316
14.2046 14.2046 14.2047 14.2047 14.5634 14.5634 14.5647 14.5647
15.9528 15.9528 15.9635 15.9635
k = 0.0000 0.0826 0.2500 ( 9702 PWs) bands (ev):
-9.6115 -9.6115 -9.6114 -9.6114 -8.4666 -8.4666 -8.4665 -8.4665
0.7899 0.7899 0.7926 0.7926 2.5191 2.5191 2.5262 2.5262
3.0315 3.0315 3.0691 3.0691 4.9755 4.9755 5.1562 5.1562
5.8234 5.8234 5.9409 5.9409 6.1950 6.1950 6.2336 6.2336
14.1908 14.1908 14.1913 14.1913 14.6658 14.6658 14.6659 14.6659
16.0028 16.0028 16.0146 16.0146
k = 0.0000 0.0723 0.2500 ( 9700 PWs) bands (ev):
-9.6237 -9.6237 -9.6236 -9.6236 -8.4487 -8.4487 -8.4487 -8.4487
0.7694 0.7694 0.7717 0.7717 2.4904 2.4904 2.4969 2.4969
3.0635 3.0635 3.0989 3.0989 4.9845 4.9845 5.1504 5.1504
5.8303 5.8303 5.9393 5.9393 6.2008 6.2008 6.2344 6.2344
14.1783 14.1783 14.1790 14.1790 14.7762 14.7762 14.7773 14.7773
16.0476 16.0476 16.0607 16.0607
k = 0.0000 0.0619 0.2500 ( 9718 PWs) bands (ev):
-9.6343 -9.6343 -9.6342 -9.6342 -8.4331 -8.4331 -8.4330 -8.4330
0.7515 0.7515 0.7535 0.7535 2.4630 2.4630 2.4686 2.4686
3.0955 3.0955 3.1277 3.1277 4.9939 4.9939 5.1424 5.1424
5.8373 5.8373 5.9358 5.9358 6.2058 6.2058 6.2343 6.2343
14.1674 14.1674 14.1681 14.1681 14.8934 14.8934 14.8958 14.8958
16.0861 16.0861 16.1006 16.1006
k = 0.0000 0.0516 0.2500 ( 9706 PWs) bands (ev):
-9.6432 -9.6432 -9.6432 -9.6432 -8.4197 -8.4197 -8.4196 -8.4196
0.7364 0.7364 0.7380 0.7380 2.4384 2.4384 2.4431 2.4431
3.1255 3.1255 3.1537 3.1537 5.0040 5.0040 5.1325 5.1325
5.8445 5.8445 5.9306 5.9306 6.2101 6.2101 6.2335 6.2335
14.1581 14.1581 14.1588 14.1588 15.0152 15.0152 15.0188 15.0188
16.1168 16.1168 16.1327 16.1327
k = 0.0000 0.0413 0.2500 ( 9720 PWs) bands (ev):
-9.6506 -9.6506 -9.6506 -9.6506 -8.4086 -8.4086 -8.4085 -8.4085
0.7239 0.7239 0.7252 0.7252 2.4175 2.4175 2.4212 2.4212
3.1522 3.1522 3.1757 3.1757 5.0149 5.0149 5.1210 5.1210
5.8522 5.8522 5.9238 5.9238 6.2139 6.2139 6.2323 6.2323
14.1505 14.1505 14.1511 14.1511 15.1378 15.1378 15.1426 15.1426
16.1380 16.1380 16.1552 16.1552
k = 0.0000 0.0310 0.2500 ( 9714 PWs) bands (ev):
-9.6564 -9.6564 -9.6563 -9.6563 -8.3999 -8.3999 -8.3999 -8.3999
0.7142 0.7142 0.7152 0.7152 2.4009 2.4009 2.4036 2.4036
3.1747 3.1747 3.1928 3.1928 5.0267 5.0267 5.1083 5.1083
5.8603 5.8603 5.9158 5.9158 6.2173 6.2173 6.2308 6.2308
14.1446 14.1446 14.1451 14.1451 15.2557 15.2557 15.2614 15.2614
16.1480 16.1480 16.1656 16.1656
k = 0.0000 0.0206 0.2500 ( 9712 PWs) bands (ev):
-9.6605 -9.6605 -9.6604 -9.6604 -8.3937 -8.3937 -8.3936 -8.3936
0.7073 0.7073 0.7079 0.7079 2.3889 2.3889 2.3907 2.3907
3.1921 3.1921 3.2045 3.2045 5.0393 5.0393 5.0947 5.0947
5.8690 5.8690 5.9068 5.9068 6.2202 6.2202 6.2291 6.2291
14.1404 14.1404 14.1408 14.1408 15.3598 15.3598 15.3655 15.3655
16.1470 16.1470 16.1627 16.1627
k = 0.0000 0.0103 0.2500 ( 9716 PWs) bands (ev):
-9.6629 -9.6629 -9.6629 -9.6629 -8.3899 -8.3899 -8.3899 -8.3899
0.7032 0.7032 0.7035 0.7035 2.3818 2.3818 2.3827 2.3827
3.2040 3.2040 3.2103 3.2103 5.0527 5.0527 5.0807 5.0807
5.8782 5.8782 5.8973 5.8973 6.2228 6.2228 6.2272 6.2272
14.1380 14.1380 14.1381 14.1381 15.4360 15.4360 15.4398 15.4398
16.1404 16.1404 16.1502 16.1502
k = 0.0000 0.0000 0.2500 ( 9712 PWs) bands (ev):
-9.6637 -9.6637 -9.6637 -9.6637 -8.3886 -8.3886 -8.3886 -8.3886
0.7019 0.7019 0.7019 0.7019 2.3797 2.3797 2.3797 2.3797
3.2102 3.2102 3.2102 3.2102 5.0666 5.0666 5.0666 5.0666
5.8877 5.8877 5.8877 5.8877 6.2251 6.2251 6.2251 6.2251
14.1372 14.1372 14.1372 14.1372 15.4661 15.4661 15.4661 15.4661
16.1396 16.1396 16.1396 16.1396
k = 0.0000 0.2891-0.0000 ( 9742 PWs) bands (ev):
-9.4355 -9.4355 -9.4355 -9.4355 -8.6908 -8.6908 -8.6908 -8.6908
0.4061 0.4061 0.4061 0.4061 2.5187 2.5187 2.5187 2.5187
4.3370 4.3370 4.3370 4.3370 4.9507 4.9507 4.9507 4.9507
5.8811 5.8811 5.8811 5.8811 6.0506 6.0506 6.0506 6.0506
13.1885 13.1885 13.1885 13.1885 14.0506 14.0506 14.0506 14.0506
15.1612 15.1612 15.1612 15.1612
k = 0.0000 0.2891 0.0100 ( 9742 PWs) bands (ev):
-9.4349 -9.4349 -9.4349 -9.4349 -8.6916 -8.6916 -8.6916 -8.6916
0.4087 0.4087 0.4087 0.4087 2.5179 2.5179 2.5179 2.5179
4.3365 4.3365 4.3365 4.3365 4.9481 4.9481 4.9481 4.9481
5.8809 5.8809 5.8809 5.8809 6.0499 6.0499 6.0499 6.0499
13.1915 13.1915 13.1915 13.1915 14.0566 14.0566 14.0566 14.0566
15.1602 15.1602 15.1602 15.1602
k = 0.0000 0.2891 0.0200 ( 9714 PWs) bands (ev):
-9.4330 -9.4330 -9.4330 -9.4330 -8.6942 -8.6942 -8.6942 -8.6942
0.4164 0.4164 0.4164 0.4164 2.5153 2.5153 2.5153 2.5153
4.3349 4.3349 4.3349 4.3349 4.9403 4.9403 4.9403 4.9403
5.8803 5.8803 5.8803 5.8803 6.0478 6.0478 6.0478 6.0478
13.2005 13.2005 13.2005 13.2005 14.0744 14.0744 14.0744 14.0744
15.1573 15.1573 15.1573 15.1573
k = 0.0000 0.2891 0.0300 ( 9722 PWs) bands (ev):
-9.4298 -9.4298 -9.4298 -9.4298 -8.6985 -8.6985 -8.6985 -8.6985
0.4291 0.4291 0.4291 0.4291 2.5111 2.5111 2.5111 2.5111
4.3324 4.3324 4.3324 4.3324 4.9274 4.9274 4.9274 4.9274
5.8792 5.8792 5.8792 5.8792 6.0444 6.0444 6.0444 6.0444
13.2155 13.2155 13.2155 13.2155 14.1039 14.1039 14.1039 14.1039
15.1525 15.1525 15.1525 15.1525
k = 0.0000 0.2891 0.0400 ( 9718 PWs) bands (ev):
-9.4254 -9.4254 -9.4254 -9.4254 -8.7045 -8.7045 -8.7045 -8.7045
0.4469 0.4469 0.4469 0.4469 2.5050 2.5050 2.5050 2.5050
4.3288 4.3288 4.3288 4.3288 4.9096 4.9096 4.9096 4.9096
5.8779 5.8779 5.8779 5.8779 6.0399 6.0399 6.0399 6.0399
13.2364 13.2364 13.2364 13.2364 14.1443 14.1443 14.1443 14.1443
15.1460 15.1460 15.1460 15.1460
k = 0.0000 0.2891 0.0500 ( 9712 PWs) bands (ev):
-9.4198 -9.4198 -9.4198 -9.4198 -8.7122 -8.7122 -8.7122 -8.7122
0.4696 0.4696 0.4696 0.4696 2.4969 2.4969 2.4969 2.4969
4.3243 4.3243 4.3243 4.3243 4.8871 4.8871 4.8871 4.8871
5.8762 5.8762 5.8762 5.8762 6.0344 6.0344 6.0344 6.0344
13.2632 13.2632 13.2632 13.2632 14.1948 14.1948 14.1948 14.1948
15.1380 15.1380 15.1380 15.1380
k = 0.0000 0.2891 0.0600 ( 9708 PWs) bands (ev):
-9.4129 -9.4129 -9.4129 -9.4129 -8.7214 -8.7214 -8.7214 -8.7214
0.4972 0.4972 0.4972 0.4972 2.4868 2.4868 2.4868 2.4868
4.3189 4.3189 4.3189 4.3189 4.8601 4.8601 4.8601 4.8601
5.8744 5.8744 5.8744 5.8744 6.0281 6.0281 6.0281 6.0281
13.2956 13.2956 13.2956 13.2956 14.2543 14.2543 14.2543 14.2543
15.1286 15.1286 15.1286 15.1287
k = 0.0000 0.2891 0.0700 ( 9718 PWs) bands (ev):
-9.4048 -9.4048 -9.4048 -9.4048 -8.7322 -8.7322 -8.7322 -8.7322
0.5295 0.5295 0.5295 0.5295 2.4743 2.4743 2.4743 2.4743
4.3127 4.3127 4.3127 4.3127 4.8291 4.8291 4.8291 4.8291
5.8725 5.8725 5.8725 5.8725 6.0213 6.0213 6.0213 6.0213
13.3337 13.3337 13.3337 13.3337 14.3212 14.3212 14.3212 14.3212
15.1182 15.1182 15.1182 15.1182
k = 0.0000 0.2891 0.0800 ( 9710 PWs) bands (ev):
-9.3956 -9.3956 -9.3956 -9.3956 -8.7445 -8.7445 -8.7445 -8.7445
0.5664 0.5664 0.5664 0.5664 2.4594 2.4594 2.4594 2.4594
4.3058 4.3058 4.3058 4.3058 4.7946 4.7946 4.7946 4.7946
5.8705 5.8705 5.8705 5.8705 6.0141 6.0141 6.0141 6.0141
13.3772 13.3772 13.3772 13.3772 14.3936 14.3936 14.3936 14.3936
15.1070 15.1070 15.1070 15.1070
k = 0.0000 0.2891 0.0900 ( 9718 PWs) bands (ev):
-9.3851 -9.3851 -9.3851 -9.3851 -8.7581 -8.7581 -8.7581 -8.7581
0.6078 0.6078 0.6078 0.6078 2.4418 2.4418 2.4418 2.4418
4.2983 4.2983 4.2983 4.2983 4.7572 4.7572 4.7572 4.7572
5.8687 5.8687 5.8687 5.8687 6.0066 6.0066 6.0066 6.0066
13.4260 13.4260 13.4260 13.4260 14.4688 14.4688 14.4688 14.4688
15.0953 15.0953 15.0953 15.0953
k = 0.0000 0.2891 0.1000 ( 9712 PWs) bands (ev):
-9.3736 -9.3736 -9.3736 -9.3736 -8.7731 -8.7731 -8.7731 -8.7731
0.6535 0.6535 0.6535 0.6535 2.4213 2.4213 2.4213 2.4213
4.2903 4.2903 4.2903 4.2903 4.7173 4.7173 4.7173 4.7173
5.8671 5.8671 5.8671 5.8671 5.9991 5.9991 5.9991 5.9991
13.4798 13.4798 13.4798 13.4798 14.5431 14.5431 14.5431 14.5431
15.0835 15.0835 15.0835 15.0835
k = 0.0000 0.2891 0.1100 ( 9714 PWs) bands (ev):
-9.3609 -9.3609 -9.3609 -9.3609 -8.7894 -8.7894 -8.7894 -8.7894
0.7032 0.7032 0.7032 0.7032 2.3975 2.3975 2.3975 2.3975
4.2820 4.2820 4.2820 4.2820 4.6759 4.6759 4.6759 4.6759
5.8657 5.8657 5.8657 5.8657 5.9915 5.9915 5.9915 5.9915
13.5384 13.5384 13.5384 13.5384 14.6121 14.6121 14.6121 14.6121
15.0718 15.0718 15.0718 15.0718
k = 0.0000 0.2891 0.1200 ( 9706 PWs) bands (ev):
-9.3471 -9.3471 -9.3471 -9.3471 -8.8068 -8.8068 -8.8068 -8.8068
0.7568 0.7568 0.7568 0.7568 2.3703 2.3703 2.3703 2.3703
4.2734 4.2734 4.2734 4.2734 4.6335 4.6335 4.6335 4.6335
5.8645 5.8645 5.8645 5.8645 5.9841 5.9841 5.9841 5.9841
13.6015 13.6015 13.6015 13.6015 14.6707 14.6707 14.6707 14.6707
15.0606 15.0606 15.0606 15.0606
k = 0.0000 0.2891 0.1300 ( 9698 PWs) bands (ev):
-9.3324 -9.3324 -9.3324 -9.3324 -8.8252 -8.8252 -8.8252 -8.8252
0.8141 0.8141 0.8141 0.8141 2.3394 2.3394 2.3394 2.3394
4.2648 4.2648 4.2648 4.2648 4.5910 4.5910 4.5910 4.5910
5.8638 5.8638 5.8638 5.8638 5.9768 5.9768 5.9768 5.9768
13.6689 13.6689 13.6689 13.6689 14.7149 14.7149 14.7149 14.7149
15.0502 15.0502 15.0502 15.0502
k = 0.0000 0.2891 0.1400 ( 9700 PWs) bands (ev):
-9.3166 -9.3166 -9.3166 -9.3166 -8.8447 -8.8447 -8.8447 -8.8447
0.8747 0.8747 0.8747 0.8747 2.3046 2.3046 2.3046 2.3046
4.2562 4.2562 4.2562 4.2562 4.5490 4.5490 4.5490 4.5490
5.8634 5.8634 5.8634 5.8634 5.9697 5.9697 5.9697 5.9697
13.7400 13.7400 13.7400 13.7400 14.7434 14.7434 14.7434 14.7434
15.0411 15.0411 15.0411 15.0411
k = 0.0000 0.2891 0.1500 ( 9694 PWs) bands (ev):
-9.2998 -9.2998 -9.2998 -9.2998 -8.8649 -8.8649 -8.8649 -8.8649
0.9384 0.9384 0.9384 0.9384 2.2658 2.2658 2.2658 2.2658
4.2480 4.2480 4.2480 4.2480 4.5083 4.5083 4.5083 4.5083
5.8634 5.8634 5.8634 5.8634 5.9629 5.9629 5.9629 5.9629
13.8144 13.8144 13.8144 13.8144 14.7580 14.7580 14.7580 14.7580
15.0336 15.0336 15.0336 15.0336
k = 0.0000 0.2891 0.1600 ( 9692 PWs) bands (ev):
-9.2822 -9.2822 -9.2822 -9.2822 -8.8860 -8.8860 -8.8860 -8.8860
1.0048 1.0048 1.0048 1.0048 2.2228 2.2228 2.2228 2.2228
4.2403 4.2403 4.2403 4.2403 4.4694 4.4694 4.4694 4.4694
5.8637 5.8637 5.8637 5.8637 5.9563 5.9563 5.9563 5.9563
13.8917 13.8917 13.8917 13.8917 14.7617 14.7617 14.7617 14.7617
15.0282 15.0282 15.0282 15.0282
k = 0.0000 0.2891 0.1700 ( 9708 PWs) bands (ev):
-9.2637 -9.2637 -9.2637 -9.2637 -8.9076 -8.9076 -8.9076 -8.9076
1.0738 1.0738 1.0738 1.0738 2.1757 2.1757 2.1757 2.1757
4.2332 4.2332 4.2332 4.2332 4.4330 4.4330 4.4330 4.4330
5.8644 5.8644 5.8644 5.8644 5.9501 5.9501 5.9501 5.9501
13.9711 13.9711 13.9711 13.9711 14.7577 14.7577 14.7577 14.7577
15.0254 15.0254 15.0254 15.0254
k = 0.0000 0.2891 0.1800 ( 9696 PWs) bands (ev):
-9.2444 -9.2444 -9.2444 -9.2444 -8.9299 -8.9299 -8.9299 -8.9299
1.1449 1.1449 1.1449 1.1449 2.1243 2.1243 2.1243 2.1243
4.2269 4.2269 4.2269 4.2269 4.3994 4.3994 4.3994 4.3994
5.8654 5.8654 5.8654 5.8654 5.9442 5.9442 5.9442 5.9442
14.0519 14.0519 14.0519 14.0519 14.7479 14.7479 14.7479 14.7479
15.0257 15.0257 15.0257 15.0257
k = 0.0000 0.2891 0.1900 ( 9710 PWs) bands (ev):
-9.2244 -9.2244 -9.2244 -9.2244 -8.9525 -8.9525 -8.9525 -8.9525
1.2177 1.2177 1.2177 1.2177 2.0690 2.0690 2.0690 2.0690
4.2217 4.2217 4.2217 4.2217 4.3691 4.3691 4.3691 4.3691
5.8666 5.8666 5.8666 5.8666 5.9388 5.9388 5.9388 5.9388
14.1331 14.1331 14.1331 14.1331 14.7337 14.7337 14.7337 14.7337
15.0298 15.0298 15.0298 15.0298
k = 0.0000 0.2891 0.2000 ( 9710 PWs) bands (ev):
-9.2036 -9.2036 -9.2036 -9.2036 -8.9756 -8.9756 -8.9756 -8.9756
1.2919 1.2919 1.2919 1.2919 2.0098 2.0098 2.0098 2.0098
4.2177 4.2177 4.2177 4.2177 4.3424 4.3424 4.3424 4.3424
5.8680 5.8680 5.8680 5.8680 5.9338 5.9338 5.9338 5.9338
14.2134 14.2134 14.2134 14.2134 14.7156 14.7156 14.7156 14.7156
15.0386 15.0386 15.0386 15.0386
k = 0.0000 0.2891 0.2100 ( 9712 PWs) bands (ev):
-9.1823 -9.1823 -9.1823 -9.1823 -8.9988 -8.9988 -8.9988 -8.9988
1.3670 1.3670 1.3670 1.3670 1.9470 1.9470 1.9470 1.9470
4.2150 4.2150 4.2150 4.2150 4.3195 4.3195 4.3195 4.3195
5.8695 5.8695 5.8695 5.8695 5.9294 5.9294 5.9294 5.9294
14.2916 14.2916 14.2916 14.2916 14.6935 14.6935 14.6935 14.6935
15.0529 15.0529 15.0529 15.0529
k = 0.0000 0.2891 0.2200 ( 9704 PWs) bands (ev):
-9.1604 -9.1604 -9.1604 -9.1604 -9.0222 -9.0222 -9.0222 -9.0222
1.4426 1.4426 1.4426 1.4426 1.8811 1.8811 1.8811 1.8811
4.2135 4.2135 4.2135 4.2135 4.3008 4.3008 4.3008 4.3008
5.8709 5.8709 5.8709 5.8709 5.9258 5.9258 5.9258 5.9258
14.3659 14.3659 14.3659 14.3659 14.6670 14.6670 14.6670 14.6670
15.0738 15.0738 15.0738 15.0738
k = 0.0000 0.2891 0.2300 ( 9700 PWs) bands (ev):
-9.1381 -9.1381 -9.1381 -9.1381 -9.0457 -9.0457 -9.0457 -9.0457
1.5183 1.5183 1.5183 1.5183 1.8124 1.8124 1.8124 1.8124
4.2131 4.2131 4.2131 4.2131 4.2867 4.2867 4.2867 4.2867
5.8721 5.8721 5.8721 5.8721 5.9230 5.9230 5.9230 5.9230
14.4346 14.4346 14.4346 14.4346 14.6351 14.6351 14.6351 14.6351
15.1020 15.1020 15.1020 15.1020
k = 0.0000 0.2891 0.2400 ( 9684 PWs) bands (ev):
-9.1154 -9.1154 -9.1154 -9.1154 -9.0691 -9.0691 -9.0691 -9.0691
1.5934 1.5934 1.5934 1.5934 1.7415 1.7415 1.7415 1.7415
4.2133 4.2133 4.2133 4.2133 4.2777 4.2777 4.2777 4.2777
5.8729 5.8729 5.8729 5.8729 5.9212 5.9212 5.9212 5.9212
14.4962 14.4962 14.4962 14.4962 14.5969 14.5969 14.5969 14.5969
15.1381 15.1381 15.1381 15.1381
k = 0.0000 0.2891 0.2500 ( 9676 PWs) bands (ev):
-9.0924 -9.0924 -9.0924 -9.0924 -9.0922 -9.0922 -9.0922 -9.0922
1.6605 1.6605 1.6605 1.6605 1.6758 1.6758 1.6758 1.6758
4.2135 4.2135 4.2135 4.2135 4.2746 4.2746 4.2746 4.2746
5.8732 5.8732 5.8732 5.8732 5.9206 5.9206 5.9206 5.9206
14.5438 14.5438 14.5438 14.5438 14.5574 14.5574 14.5574 14.5574
15.1799 15.1799 15.1799 15.1800
k = 0.5000-0.0000 0.2500 ( 9684 PWs) bands (ev):
-8.8647 -8.8647 -8.8647 -8.8647 -7.6499 -7.6499 -7.6499 -7.6499
0.7533 0.7533 0.7533 0.7533 1.2543 1.2543 1.2543 1.2543
2.3565 2.3565 2.3565 2.3565 3.5488 3.5488 3.5488 3.5488
4.2383 4.2383 4.2383 4.2383 6.0025 6.0025 6.0025 6.0025
12.2180 12.2180 12.2180 12.2180 13.2707 13.2707 13.2707 13.2707
14.1761 14.1761 14.1761 14.1761
k = 0.5000-0.0000 0.2400 ( 9696 PWs) bands (ev):
-8.8894 -8.8894 -8.8397 -8.8397 -7.6568 -7.6568 -7.6434 -7.6434
0.7322 0.7322 0.7757 0.7757 1.2345 1.2345 1.2737 1.2737
2.3389 2.3389 2.3746 2.3746 3.4696 3.4696 3.6289 3.6289
4.1686 4.1686 4.3066 4.3066 5.9555 5.9555 6.0491 6.0491
12.1708 12.1708 12.2658 12.2658 13.1913 13.1913 13.3584 13.3584
14.0572 14.0572 14.3010 14.3010
k = 0.5000-0.0000 0.2300 ( 9706 PWs) bands (ev):
-8.9136 -8.9136 -8.8143 -8.8143 -7.6637 -7.6637 -7.6370 -7.6370
0.7124 0.7124 0.7992 0.7992 1.2146 1.2146 1.2927 1.2927
2.3221 2.3221 2.3933 2.3933 3.3915 3.3915 3.7094 3.7094
4.0980 4.0980 4.3733 4.3733 5.9080 5.9080 6.0950 6.0950
12.1244 12.1244 12.3143 12.3143 13.1205 13.1205 13.4542 13.4542
13.9447 13.9447 14.4317 14.4317
k = 0.5000-0.0000 0.2200 ( 9718 PWs) bands (ev):
-8.9373 -8.9373 -8.7887 -8.7887 -7.6709 -7.6709 -7.6310 -7.6310
0.6939 0.6939 0.8236 0.8236 1.1947 1.1947 1.3110 1.3110
2.3059 2.3059 2.4125 2.4125 3.3152 3.3152 3.7899 3.7899
4.0266 4.0266 4.4382 4.4382 5.8604 5.8604 6.1400 6.1400
12.0789 12.0789 12.3633 12.3633 13.0583 13.0583 13.5579 13.5579
13.8389 13.8389 14.5680 14.5680
k = 0.5000-0.0000 0.2100 ( 9714 PWs) bands (ev):
-8.9604 -8.9604 -8.7631 -8.7631 -7.6781 -7.6781 -7.6254 -7.6254
0.6770 0.6770 0.8488 0.8488 1.1750 1.1750 1.3286 1.3286
2.2904 2.2904 2.4320 2.4320 3.2409 3.2409 3.8701 3.8701
3.9548 3.9548 4.5010 4.5010 5.8127 5.8127 6.1841 6.1841
12.0343 12.0343 12.4127 12.4127 13.0050 13.0050 13.6692 13.6692
13.7402 13.7402 14.7094 14.7094
k = 0.5000-0.0000 0.2000 ( 9722 PWs) bands (ev):
-8.9828 -8.9828 -8.7373 -8.7373 -7.6854 -7.6854 -7.6201 -7.6201
0.6615 0.6615 0.8746 0.8746 1.1556 1.1556 1.3453 1.3453
2.2755 2.2755 2.4517 2.4517 3.1691 3.1691 3.8829 3.8829
3.9494 3.9494 4.5615 4.5615 5.7651 5.7651 6.2271 6.2271
11.9909 11.9909 12.4625 12.4625 12.9605 12.9605 13.6487 13.6487
13.7880 13.7880 14.8557 14.8557
k = 0.5000-0.0000 0.1900 ( 9712 PWs) bands (ev):
-9.0045 -9.0045 -8.7117 -8.7117 -7.6926 -7.6926 -7.6152 -7.6152
0.6476 0.6476 0.9008 0.9008 1.1368 1.1368 1.3609 1.3609
2.2612 2.2612 2.4717 2.4717 3.1002 3.1002 3.8113 3.8113
4.0275 4.0275 4.6196 4.6196 5.7179 5.7179 6.2688 6.2688
11.9487 11.9487 12.5125 12.5125 12.9249 12.9249 13.5648 13.5648
13.9138 13.9138 15.0065 15.0065
k = 0.5000-0.0000 0.1800 ( 9708 PWs) bands (ev):
-9.0254 -9.0254 -8.6862 -8.6862 -7.6998 -7.6998 -7.6108 -7.6108
0.6353 0.6353 0.9268 0.9268 1.1189 1.1189 1.3755 1.3755
2.2474 2.2474 2.4917 2.4917 3.0346 3.0346 3.7402 3.7402
4.1040 4.1040 4.6750 4.6750 5.6711 5.6711 6.3090 6.3090
11.9077 11.9077 12.5626 12.5626 12.8980 12.8980 13.4888 13.4888
14.0464 14.0464 15.1617 15.1617
k = 0.5000-0.0000 0.1700 ( 9704 PWs) bands (ev):
-9.0455 -9.0455 -8.6611 -8.6611 -7.7069 -7.7069 -7.6068 -7.6068
0.6245 0.6245 0.9522 0.9522 1.1023 1.1023 1.3889 1.3889
2.2339 2.2339 2.5116 2.5116 2.9728 2.9728 3.6700 3.6700
4.1785 4.1785 4.7277 4.7277 5.6250 5.6250 6.3478 6.3478
11.8682 11.8682 12.6125 12.6125 12.8799 12.8799 13.4210 13.4210
14.1856 14.1856 15.3208 15.3208
k = 0.5000-0.0000 0.1600 ( 9704 PWs) bands (ev):
-9.0647 -9.0647 -8.6363 -8.6363 -7.7139 -7.7139 -7.6033 -7.6033
0.6153 0.6153 0.9758 0.9758 1.0880 1.0880 1.4012 1.4012
2.2205 2.2205 2.5314 2.5314 2.9152 2.9152 3.6010 3.6010
4.2506 4.2506 4.7775 4.7775 5.5797 5.5797 6.3849 6.3849
11.8301 11.8301 12.6622 12.6622 12.8703 12.8703 13.3615 13.3615
14.3310 14.3310 15.4834 15.4834
k = 0.5000-0.0000 0.1500 ( 9708 PWs) bands (ev):
-9.0829 -9.0829 -8.6120 -8.6120 -7.7207 -7.7207 -7.6003 -7.6003
0.6076 0.6076 0.9952 0.9952 1.0784 1.0784 1.4124 1.4124
2.2071 2.2071 2.5509 2.5509 2.8620 2.8620 3.5336 3.5336
4.3200 4.3200 4.8243 4.8243 5.5356 5.5356 6.4201 6.4201
11.7938 11.7938 12.7112 12.7112 12.8691 12.8691 13.3108 13.3108
14.4822 14.4822 15.6492 15.6492
k = 0.5000-0.0000 0.1400 ( 9702 PWs) bands (ev):
-9.1002 -9.1002 -8.5884 -8.5884 -7.7272 -7.7272 -7.5977 -7.5977
0.6014 0.6014 1.0054 1.0054 1.0781 1.0781 1.4224 1.4224
2.1934 2.1934 2.5700 2.5700 2.8138 2.8138 3.4681 3.4681
4.3862 4.3862 4.8681 4.8681 5.4927 5.4927 6.4535 6.4535
11.7591 11.7591 12.7589 12.7589 12.8760 12.8760 13.2688 13.2688
14.6391 14.6391 15.8173 15.8173
k = 0.5000-0.0000 0.1300 ( 9702 PWs) bands (ev):
-9.1164 -9.1164 -8.5656 -8.5656 -7.7335 -7.7335 -7.5956 -7.5956
0.5965 0.5965 1.0039 1.0039 1.0893 1.0893 1.4315 1.4315
2.1794 2.1794 2.5885 2.5885 2.7708 2.7708 3.4048 3.4048
4.4491 4.4491 4.9088 4.9088 5.4515 5.4515 6.4849 6.4849
11.7263 11.7263 12.8046 12.8046 12.8911 12.8911 13.2359 13.2359
14.8012 14.8012 15.9848 15.9848
k = 0.5000-0.0000 0.1200 ( 9696 PWs) bands (ev):
-9.1316 -9.1316 -8.5437 -8.5437 -7.7395 -7.7395 -7.5939 -7.5939
0.5931 0.5931 0.9956 0.9956 1.1071 1.1071 1.4398 1.4398
2.1649 2.1649 2.6063 2.6063 2.7331 2.7331 3.3440 3.3440
4.5082 4.5082 4.9464 4.9464 5.4120 5.4120 6.5142 6.5142
11.6955 11.6955 12.8469 12.8469 12.9145 12.9145 13.2122 13.2122
14.9682 14.9682 16.0353 16.0353
k = 0.5000-0.0000 0.1100 ( 9686 PWs) bands (ev):
-9.1457 -9.1457 -8.5229 -8.5229 -7.7451 -7.7451 -7.5926 -7.5926
0.5908 0.5908 0.9848 0.9848 1.1267 1.1267 1.4474 1.4474
2.1500 2.1500 2.6230 2.6230 2.7009 2.7009 3.2861 3.2861
4.5633 4.5633 4.9808 4.9808 5.3745 5.3745 6.5414 6.5414
11.6668 11.6668 12.8848 12.8848 12.9458 12.9458 13.1977 13.1977
15.1396 15.1396 15.9560 15.9560
k = 0.5000-0.0000 0.1000 ( 9686 PWs) bands (ev):
-9.1587 -9.1587 -8.5032 -8.5032 -7.7504 -7.7504 -7.5916 -7.5916
0.5896 0.5896 0.9735 0.9735 1.1460 1.1460 1.4545 1.4545
2.1347 2.1347 2.6381 2.6381 2.6745 2.6745 3.2315 3.2315
4.6141 4.6141 5.0120 5.0120 5.3395 5.3395 6.5663 6.5663
11.6401 11.6401 12.9191 12.9191 12.9826 12.9826 13.1925 13.1925
15.3150 15.3150 15.8758 15.8758
k = 0.5000-0.0000 0.0900 ( 9694 PWs) bands (ev):
-9.1705 -9.1705 -8.4848 -8.4848 -7.7552 -7.7552 -7.5910 -7.5910
0.5894 0.5894 0.9625 0.9625 1.1638 1.1638 1.4614 1.4614
2.1194 2.1194 2.6445 2.6445 2.6604 2.6604 3.1806 3.1806
4.6605 4.6605 5.0401 5.0401 5.3070 5.3070 6.5889 6.5889
11.6158 11.6158 12.9513 12.9513 13.0217 13.0217 13.1964 13.1964
15.4938 15.4938 15.7984 15.7984
k = 0.5000-0.0000 0.0800 ( 9688 PWs) bands (ev):
-9.1812 -9.1812 -8.4679 -8.4679 -7.7596 -7.7596 -7.5907 -7.5907
0.5899 0.5899 0.9522 0.9522 1.1797 1.1797 1.4681 1.4681
2.1044 2.1044 2.6311 2.6311 2.6694 2.6694 3.1336 3.1336
4.7022 4.7022 5.0649 5.0649 5.2776 5.2776 6.6092 6.6092
11.5938 11.5938 12.9820 12.9820 13.0606 13.0606 13.2087 13.2087
15.6743 15.6743 15.7262 15.7262
k = 0.5000-0.0000 0.0700 ( 9680 PWs) bands (ev):
-9.1906 -9.1906 -8.4526 -8.4526 -7.7636 -7.7636 -7.5906 -7.5906
0.5911 0.5911 0.9427 0.9427 1.1934 1.1934 1.4748 1.4748
2.0899 2.0899 2.6182 2.6182 2.6804 2.6804 3.0911 3.0911
4.7390 4.7390 5.0863 5.0863 5.2514 5.2514 6.6271 6.6271
11.5741 11.5741 13.0111 13.0111 13.0979 13.0979 13.2282 13.2282
15.6567 15.6567 15.8565 15.8565
k = 0.5000-0.0000 0.0600 ( 9688 PWs) bands (ev):
-9.1988 -9.1988 -8.4391 -8.4391 -7.7671 -7.7671 -7.5907 -7.5907
0.5927 0.5927 0.9342 0.9342 1.2047 1.2047 1.4813 1.4813
2.0765 2.0765 2.6086 2.6086 2.6898 2.6898 3.0535 3.0535
4.7710 4.7710 5.1043 5.1043 5.2290 5.2290 6.6427 6.6427
11.5570 11.5570 13.0382 13.0382 13.1326 13.1326 13.2529 13.2529
15.5953 15.5953 15.7330 15.7330
k = 0.5000-0.0000 0.0500 ( 9696 PWs) bands (ev):
-9.2058 -9.2058 -8.4274 -8.4274 -7.7700 -7.7700 -7.5909 -7.5909
0.5945 0.5945 0.9268 0.9268 1.2137 1.2137 1.4875 1.4875
2.0644 2.0644 2.6020 2.6020 2.6973 2.6973 3.0211 3.0211
4.7979 4.7979 5.1184 5.1184 5.2108 5.2108 6.6559 6.6559
11.5424 11.5424 13.0631 13.0631 13.1638 13.1638 13.2804 13.2804
15.5410 15.5410 15.6098 15.6098
k = 0.5000-0.0000 0.0400 ( 9688 PWs) bands (ev):
-9.2116 -9.2116 -8.4176 -8.4176 -7.7725 -7.7725 -7.5912 -7.5912
0.5963 0.5963 0.9206 0.9206 1.2205 1.2205 1.4932 1.4932
2.0541 2.0541 2.5978 2.5978 2.7027 2.7027 2.9944 2.9944
4.8199 4.8199 5.1284 5.1284 5.1975 5.1975 6.6667 6.6667
11.5303 11.5303 13.0851 13.0851 13.1906 13.1906 13.3079 13.3079
15.4951 15.4951 15.5044 15.5044
k = 0.5000-0.0000 0.0300 ( 9684 PWs) bands (ev):
-9.2160 -9.2160 -8.4099 -8.4099 -7.7744 -7.7744 -7.5914 -7.5914
0.5979 0.5979 0.9157 0.9157 1.2255 1.2255 1.4980 1.4980
2.0457 2.0457 2.5955 2.5955 2.7062 2.7062 2.9737 2.9737
4.8368 4.8368 5.1338 5.1338 5.1894 5.1894 6.6751 6.6751
11.5209 11.5209 13.1035 13.1035 13.2124 13.2124 13.3329 13.3329
15.4188 15.4188 15.4585 15.4585
k = 0.5000-0.0000 0.0200 ( 9678 PWs) bands (ev):
-9.2193 -9.2193 -8.4044 -8.4044 -7.7758 -7.7758 -7.5916 -7.5916
0.5992 0.5992 0.9121 0.9121 1.2289 1.2289 1.5018 1.5018
2.0396 2.0396 2.5945 2.5945 2.7081 2.7081 2.9589 2.9589
4.8487 4.8487 5.1354 5.1354 5.1859 5.1859 6.6811 6.6811
11.5142 11.5142 13.1176 13.1176 13.2284 13.2284 13.3529 13.3529
15.3557 15.3557 15.4317 15.4317
k = 0.5000-0.0000 0.0100 ( 9670 PWs) bands (ev):
-9.2212 -9.2212 -8.4010 -8.4010 -7.7766 -7.7766 -7.5918 -7.5918
0.6000 0.6000 0.9100 0.9100 1.2308 1.2308 1.5042 1.5042
2.0359 2.0359 2.5942 2.5942 2.7090 2.7090 2.9502 2.9502
4.8558 4.8558 5.1352 5.1352 5.1850 5.1850 6.6847 6.6847
11.5101 11.5101 13.1265 13.1265 13.2382 13.2382 13.3659 13.3659
15.3169 15.3169 15.4154 15.4154
k = 0.5000-0.0000-0.0000 ( 9654 PWs) bands (ev):
-9.2218 -9.2218 -8.3999 -8.3999 -7.7769 -7.7769 -7.5918 -7.5918
0.6003 0.6003 0.9092 0.9092 1.2314 1.2314 1.5050 1.5050
2.0346 2.0346 2.5941 2.5941 2.7092 2.7092 2.9473 2.9473
4.8582 4.8582 5.1349 5.1349 5.1849 5.1849 6.6859 6.6859
11.5088 11.5088 13.1295 13.1295 13.2415 13.2415 13.3704 13.3704
15.3038 15.3038 15.4099 15.4099
k = 0.5000 0.2891-0.0000 ( 9688 PWs) bands (ev):
-8.5901 -8.5901 -8.5901 -8.5901 -8.0099 -8.0099 -8.0099 -8.0099
1.0364 1.0364 1.0364 1.0364 1.2406 1.2406 1.2406 1.2406
2.1128 2.1128 2.1128 2.1128 3.3908 3.3908 3.3908 3.3908
5.1235 5.1235 5.1235 5.1235 5.4318 5.4318 5.4318 5.4318
12.3123 12.3123 12.3123 12.3123 14.0528 14.0528 14.0528 14.0528
14.9218 14.9218 14.9218 14.9218
k = 0.5000 0.2891 0.0100 ( 9732 PWs) bands (ev):
-8.5896 -8.5896 -8.5896 -8.5896 -8.0105 -8.0105 -8.0105 -8.0105
1.0345 1.0345 1.0345 1.0345 1.2431 1.2431 1.2431 1.2431
2.1136 2.1136 2.1136 2.1136 3.3908 3.3908 3.3908 3.3908
5.1230 5.1230 5.1230 5.1230 5.4309 5.4309 5.4309 5.4309
12.3106 12.3106 12.3106 12.3106 14.0511 14.0511 14.0511 14.0511
14.9233 14.9233 14.9233 14.9233
k = 0.5000 0.2891 0.0200 ( 9732 PWs) bands (ev):
-8.5881 -8.5881 -8.5881 -8.5881 -8.0124 -8.0124 -8.0124 -8.0124
1.0291 1.0291 1.0291 1.0291 1.2502 1.2502 1.2502 1.2502
2.1160 2.1160 2.1160 2.1160 3.3906 3.3906 3.3906 3.3906
5.1216 5.1216 5.1216 5.1216 5.4281 5.4281 5.4281 5.4281
12.3055 12.3055 12.3055 12.3055 14.0461 14.0461 14.0461 14.0461
14.9276 14.9276 14.9276 14.9276
k = 0.5000 0.2891 0.0300 ( 9732 PWs) bands (ev):
-8.5855 -8.5855 -8.5855 -8.5855 -8.0156 -8.0156 -8.0156 -8.0156
1.0211 1.0211 1.0211 1.0211 1.2607 1.2607 1.2607 1.2607
2.1201 2.1201 2.1201 2.1201 3.3904 3.3904 3.3904 3.3904
5.1192 5.1192 5.1192 5.1192 5.4235 5.4235 5.4235 5.4235
12.2975 12.2975 12.2975 12.2975 14.0377 14.0377 14.0377 14.0377
14.9343 14.9343 14.9343 14.9343
k = 0.5000 0.2891 0.0400 ( 9732 PWs) bands (ev):
-8.5819 -8.5819 -8.5819 -8.5819 -8.0201 -8.0201 -8.0201 -8.0201
1.0118 1.0118 1.0118 1.0118 1.2733 1.2733 1.2733 1.2733
2.1263 2.1263 2.1263 2.1263 3.3899 3.3899 3.3899 3.3899
5.1159 5.1159 5.1159 5.1159 5.4171 5.4171 5.4171 5.4171
12.2872 12.2872 12.2872 12.2872 14.0261 14.0261 14.0261 14.0261
14.9428 14.9428 14.9428 14.9428
k = 0.5000 0.2891 0.0500 ( 9740 PWs) bands (ev):
-8.5773 -8.5773 -8.5773 -8.5773 -8.0258 -8.0258 -8.0258 -8.0258
1.0019 1.0019 1.0019 1.0019 1.2866 1.2866 1.2866 1.2866
2.1350 2.1350 2.1350 2.1350 3.3890 3.3890 3.3890 3.3890
5.1118 5.1118 5.1118 5.1118 5.4089 5.4089 5.4089 5.4089
12.2755 12.2755 12.2755 12.2755 14.0112 14.0112 14.0112 14.0112
14.9523 14.9523 14.9523 14.9523
k = 0.5000 0.2891 0.0600 ( 9740 PWs) bands (ev):
-8.5718 -8.5718 -8.5718 -8.5718 -8.0326 -8.0326 -8.0326 -8.0326
0.9923 0.9923 0.9923 0.9923 1.2995 1.2995 1.2995 1.2995
2.1467 2.1467 2.1467 2.1467 3.3876 3.3876 3.3876 3.3876
5.1069 5.1069 5.1069 5.1069 5.3988 5.3988 5.3988 5.3988
12.2633 12.2633 12.2633 12.2633 13.9931 13.9931 13.9931 13.9931
14.9618 14.9618 14.9618 14.9618
k = 0.5000 0.2891 0.0700 ( 9736 PWs) bands (ev):
-8.5652 -8.5652 -8.5652 -8.5652 -8.0407 -8.0407 -8.0407 -8.0407
0.9835 0.9835 0.9835 0.9835 1.3110 1.3110 1.3110 1.3110
2.1618 2.1618 2.1618 2.1618 3.3855 3.3855 3.3855 3.3855
5.1013 5.1013 5.1013 5.1013 5.3871 5.3871 5.3871 5.3871
12.2516 12.2516 12.2516 12.2516 13.9716 13.9716 13.9716 13.9716
14.9702 14.9702 14.9702 14.9702
k = 0.5000 0.2891 0.0800 ( 9740 PWs) bands (ev):
-8.5577 -8.5577 -8.5577 -8.5577 -8.0498 -8.0498 -8.0498 -8.0498
0.9759 0.9759 0.9759 0.9759 1.3202 1.3202 1.3202 1.3202
2.1808 2.1808 2.1808 2.1808 3.3824 3.3824 3.3824 3.3824
5.0952 5.0952 5.0952 5.0952 5.3737 5.3737 5.3737 5.3737
12.2414 12.2414 12.2414 12.2414 13.9465 13.9465 13.9465 13.9465
14.9766 14.9766 14.9766 14.9766
k = 0.5000 0.2891 0.0900 ( 9728 PWs) bands (ev):
-8.5493 -8.5493 -8.5493 -8.5493 -8.0601 -8.0601 -8.0601 -8.0601
0.9698 0.9698 0.9698 0.9698 1.3266 1.3266 1.3266 1.3266
2.2039 2.2039 2.2039 2.2039 3.3782 3.3782 3.3782 3.3782
5.0885 5.0885 5.0885 5.0885 5.3586 5.3586 5.3586 5.3586
12.2337 12.2337 12.2337 12.2337 13.9176 13.9176 13.9176 13.9176
14.9801 14.9801 14.9801 14.9801
k = 0.5000 0.2891 0.1000 ( 9732 PWs) bands (ev):
-8.5399 -8.5399 -8.5399 -8.5399 -8.0713 -8.0713 -8.0713 -8.0713
0.9653 0.9653 0.9653 0.9653 1.3298 1.3298 1.3298 1.3298
2.2315 2.2315 2.2315 2.2315 3.3726 3.3726 3.3726 3.3726
5.0816 5.0816 5.0816 5.0816 5.3422 5.3422 5.3422 5.3422
12.2294 12.2294 12.2294 12.2294 13.8842 13.8842 13.8842 13.8842
14.9800 14.9800 14.9800 14.9800
k = 0.5000 0.2891 0.1100 ( 9736 PWs) bands (ev):
-8.5297 -8.5297 -8.5297 -8.5297 -8.0835 -8.0835 -8.0835 -8.0835
0.9625 0.9625 0.9625 0.9625 1.3296 1.3296 1.3296 1.3296
2.2634 2.2634 2.2634 2.2634 3.3653 3.3653 3.3653 3.3653
5.0744 5.0744 5.0744 5.0744 5.3245 5.3245 5.3245 5.3245
12.2292 12.2292 12.2292 12.2292 13.8461 13.8461 13.8461 13.8461
14.9764 14.9764 14.9764 14.9764
k = 0.5000 0.2891 0.1200 ( 9736 PWs) bands (ev):
-8.5186 -8.5186 -8.5186 -8.5186 -8.0966 -8.0966 -8.0966 -8.0966
0.9616 0.9616 0.9616 0.9616 1.3261 1.3261 1.3261 1.3261
2.2997 2.2997 2.2997 2.2997 3.3561 3.3561 3.3561 3.3561
5.0672 5.0672 5.0672 5.0672 5.3057 5.3057 5.3057 5.3057
12.2339 12.2339 12.2339 12.2339 13.8026 13.8026 13.8026 13.8026
14.9695 14.9695 14.9695 14.9695
k = 0.5000 0.2891 0.1300 ( 9728 PWs) bands (ev):
-8.5067 -8.5067 -8.5067 -8.5067 -8.1105 -8.1105 -8.1105 -8.1105
0.9625 0.9625 0.9625 0.9625 1.3193 1.3193 1.3193 1.3193
2.3399 2.3399 2.3399 2.3399 3.3447 3.3447 3.3447 3.3447
5.0600 5.0600 5.0600 5.0600 5.2860 5.2860 5.2860 5.2860
12.2439 12.2439 12.2439 12.2439 13.7534 13.7534 13.7534 13.7534
14.9602 14.9602 14.9602 14.9602
k = 0.5000 0.2891 0.1400 ( 9728 PWs) bands (ev):
-8.4940 -8.4940 -8.4940 -8.4940 -8.1252 -8.1252 -8.1252 -8.1252
0.9653 0.9653 0.9653 0.9653 1.3095 1.3095 1.3095 1.3095
2.3838 2.3838 2.3838 2.3838 3.3308 3.3308 3.3308 3.3308
5.0531 5.0531 5.0531 5.0531 5.2659 5.2659 5.2659 5.2659
12.2598 12.2598 12.2598 12.2598 13.6981 13.6981 13.6981 13.6981
14.9497 14.9497 14.9497 14.9497
k = 0.5000 0.2891 0.1500 ( 9728 PWs) bands (ev):
-8.4806 -8.4806 -8.4806 -8.4806 -8.1406 -8.1406 -8.1406 -8.1406
0.9699 0.9699 0.9699 0.9699 1.2971 1.2971 1.2971 1.2971
2.4308 2.4308 2.4308 2.4308 3.3143 3.3143 3.3143 3.3143
5.0466 5.0466 5.0466 5.0466 5.2454 5.2454 5.2454 5.2454
12.2819 12.2819 12.2819 12.2819 13.6367 13.6367 13.6367 13.6367
14.9395 14.9395 14.9395 14.9395
k = 0.5000 0.2891 0.1600 ( 9740 PWs) bands (ev):
-8.4665 -8.4665 -8.4665 -8.4665 -8.1566 -8.1566 -8.1566 -8.1566
0.9763 0.9763 0.9763 0.9763 1.2825 1.2825 1.2825 1.2825
2.4805 2.4805 2.4805 2.4805 3.2948 3.2948 3.2948 3.2948
5.0406 5.0406 5.0406 5.0406 5.2251 5.2251 5.2251 5.2251
12.3102 12.3102 12.3102 12.3102 13.5695 13.5695 13.5695 13.5695
14.9309 14.9309 14.9309 14.9309
k = 0.5000 0.2891 0.1700 ( 9740 PWs) bands (ev):
-8.4517 -8.4517 -8.4517 -8.4517 -8.1732 -8.1732 -8.1732 -8.1732
0.9845 0.9845 0.9845 0.9845 1.2660 1.2660 1.2660 1.2660
2.5322 2.5322 2.5322 2.5322 3.2723 3.2723 3.2723 3.2723
5.0353 5.0353 5.0353 5.0353 5.2052 5.2052 5.2052 5.2052
12.3450 12.3450 12.3450 12.3450 13.4969 13.4969 13.4969 13.4969
14.9251 14.9251 14.9251 14.9251
k = 0.5000 0.2891 0.1800 ( 9724 PWs) bands (ev):
-8.4363 -8.4363 -8.4363 -8.4363 -8.1902 -8.1902 -8.1902 -8.1902
0.9944 0.9944 0.9944 0.9944 1.2481 1.2481 1.2481 1.2481
2.5854 2.5854 2.5854 2.5854 3.2466 3.2466 3.2466 3.2466
5.0308 5.0308 5.0308 5.0308 5.1860 5.1860 5.1860 5.1860
12.3862 12.3862 12.3862 12.3862 13.4197 13.4197 13.4197 13.4197
14.9229 14.9229 14.9229 14.9229
k = 0.5000 0.2891 0.1900 ( 9720 PWs) bands (ev):
-8.4203 -8.4203 -8.4203 -8.4203 -8.2076 -8.2076 -8.2076 -8.2076
1.0059 1.0059 1.0059 1.0059 1.2291 1.2291 1.2291 1.2291
2.6396 2.6396 2.6396 2.6396 3.2177 3.2177 3.2177 3.2177
5.0272 5.0272 5.0272 5.0272 5.1681 5.1681 5.1681 5.1681
12.4336 12.4336 12.4336 12.4336 13.3388 13.3388 13.3388 13.3388
14.9249 14.9249 14.9249 14.9249
k = 0.5000 0.2891 0.2000 ( 9712 PWs) bands (ev):
-8.4039 -8.4039 -8.4039 -8.4039 -8.2254 -8.2254 -8.2254 -8.2254
1.0189 1.0189 1.0189 1.0189 1.2093 1.2093 1.2093 1.2093
2.6939 2.6939 2.6939 2.6939 3.1856 3.1856 3.1856 3.1856
5.0246 5.0246 5.0246 5.0246 5.1517 5.1517 5.1517 5.1517
12.4872 12.4872 12.4872 12.4872 13.2552 13.2552 13.2552 13.2552
14.9314 14.9314 14.9314 14.9314
k = 0.5000 0.2891 0.2100 ( 9720 PWs) bands (ev):
-8.3870 -8.3870 -8.3870 -8.3870 -8.2433 -8.2433 -8.2433 -8.2433
1.0331 1.0331 1.0331 1.0331 1.1893 1.1893 1.1893 1.1893
2.7479 2.7479 2.7479 2.7479 3.1506 3.1506 3.1506 3.1506
5.0228 5.0228 5.0228 5.0228 5.1373 5.1373 5.1373 5.1373
12.5465 12.5465 12.5465 12.5465 13.1701 13.1701 13.1701 13.1701
14.9425 14.9425 14.9425 14.9425
k = 0.5000 0.2891 0.2200 ( 9728 PWs) bands (ev):
-8.3697 -8.3697 -8.3697 -8.3697 -8.2615 -8.2615 -8.2615 -8.2615
1.0484 1.0484 1.0484 1.0484 1.1693 1.1693 1.1693 1.1693
2.8004 2.8004 2.8004 2.8004 3.1132 3.1132 3.1132 3.1132
5.0219 5.0219 5.0219 5.0219 5.1253 5.1253 5.1253 5.1253
12.6112 12.6112 12.6112 12.6112 13.0846 13.0846 13.0846 13.0846
14.9580 14.9580 14.9580 14.9580
k = 0.5000 0.2891 0.2300 ( 9724 PWs) bands (ev):
-8.3521 -8.3521 -8.3521 -8.3521 -8.2797 -8.2797 -8.2797 -8.2797
1.0643 1.0643 1.0643 1.0643 1.1499 1.1499 1.1499 1.1499
2.8500 2.8500 2.8500 2.8500 3.0747 3.0747 3.0747 3.0747
5.0216 5.0216 5.0216 5.0216 5.1162 5.1162 5.1162 5.1162
12.6807 12.6807 12.6807 12.6807 12.9998 12.9998 12.9998 12.9998
14.9776 14.9776 14.9776 14.9776
k = 0.5000 0.2891 0.2400 ( 9724 PWs) bands (ev):
-8.3342 -8.3342 -8.3342 -8.3342 -8.2980 -8.2980 -8.2980 -8.2980
1.0794 1.0794 1.0794 1.0794 1.1327 1.1327 1.1327 1.1327
2.8924 2.8924 2.8924 2.8924 3.0390 3.0390 3.0390 3.0390
5.0216 5.0216 5.0216 5.0216 5.1105 5.1105 5.1105 5.1105
12.7541 12.7541 12.7541 12.7541 12.9170 12.9170 12.9170 12.9170
15.0004 15.0004 15.0004 15.0004
k = 0.5000 0.2891 0.2500 ( 9720 PWs) bands (ev):
-8.3163 -8.3163 -8.3163 -8.3163 -8.3160 -8.3160 -8.3160 -8.3160
1.0875 1.0875 1.0875 1.0875 1.1240 1.1240 1.1240 1.1240
2.9126 2.9126 2.9126 2.9126 3.0210 3.0210 3.0210 3.0210
5.0216 5.0216 5.0216 5.0216 5.1086 5.1086 5.1086 5.1086
12.8172 12.8172 12.8172 12.8172 12.8509 12.8509 12.8509 12.8509
15.0174 15.0174 15.0174 15.0174
Writing output data file Cs.save
init_run : 0.09s CPU 0.24s WALL ( 1 calls)
electrons : 328.56s CPU 335.67s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.02s WALL ( 1 calls)
potinit : 0.02s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 328.56s CPU 335.66s 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)
Called by c_bands:
init_us_2 : 0.14s CPU 0.28s WALL ( 420 calls)
cegterg : 300.12s CPU 305.07s WALL ( 864 calls)
Called by sum_band:
Called by *egterg:
h_psi : 198.83s CPU 201.83s WALL ( 13763 calls)
g_psi : 0.72s CPU 0.82s WALL ( 12479 calls)
cdiaghg : 72.65s CPU 73.13s WALL ( 12899 calls)
cegterg:over : 15.99s CPU 15.97s WALL ( 12479 calls)
cegterg:upda : 13.93s CPU 14.49s WALL ( 12479 calls)
cegterg:last : 5.19s CPU 5.47s WALL ( 2159 calls)
cdiaghg:chol : 4.26s CPU 4.36s WALL ( 12899 calls)
cdiaghg:inve : 2.50s CPU 2.45s WALL ( 12899 calls)
cdiaghg:para : 4.34s CPU 4.50s WALL ( 25798 calls)
Called by h_psi:
h_psi:vloc : 144.84s CPU 147.44s WALL ( 13763 calls)
h_psi:vnl : 53.26s CPU 53.61s WALL ( 13763 calls)
add_vuspsi : 32.44s CPU 32.58s WALL ( 13763 calls)
General routines
calbec : 20.76s CPU 20.99s WALL ( 13763 calls)
fft : 0.01s CPU 0.00s WALL ( 13 calls)
fftw : 136.92s CPU 139.59s WALL ( 1179380 calls)
davcio : 0.18s CPU 0.28s WALL ( 840 calls)
Parallel routines
fft_scatter : 50.46s CPU 51.93s WALL ( 1179393 calls)
PWSCF : 5m56.62s CPU 6m32.72s WALL
This run was terminated on: 17:34:43 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=