Program PWSCF v.5.3.0 (svn rev. 11974) starts on 25Nov2016 at 10:42:56
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 64 processors
R & G space division: proc/nbgrp/npool/nimage = 64
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:
./Ag3SI.save/
file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 19 19 5 511 511 79
Max 22 22 6 514 514 86
Sum 1237 1237 365 32795 32795 5257
Message from routine sym_rho_init:
likely internal error: no G-vectors found
bravais-lattice index = 14
lattice parameter (alat) = 9.2011 a.u.
unit-cell volume = 778.9612 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 46.00
number of Kohn-Sham states= 56
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 184.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.201076 celldm(2)= 1.000000 celldm(3)= 1.000000
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 1.000000 0.000000 )
a(3) = ( 0.000000 0.000000 1.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 1.000000 -0.000000 )
b(3) = ( 0.000000 0.000000 1.000000 )
PseudoPot. # 1 for S read from file:
/home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 95f1324244b600346090892298cb4451
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1151 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for I read from file:
/home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1247 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Ag read from file:
/home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 30ab375624a706b88a092e30a79375fd
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1237 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
S 6.00 32.06500 S( 1.00)
I 7.00 126.90450 I( 1.00)
Ag 11.00 107.86820 Ag( 1.00)
3 Sym. Ops. (no inversion) found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s( 2) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 3 120 deg rotation - cart. axis [1,1,1]
cryst. s( 3) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
double point group C_3 (3)
there are 6 classes and 3 irreducible representations
the character table:
E -E C3 -C3 C3^2 -C3^2
G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50
G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50
G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00
imaginary part
E -E C3 -C3 C3^2 -C3^2
G_4 0.00 0.00 0.87 -0.87 -0.87 0.87
G_5 0.00 0.00 -0.87 0.87 0.87 -0.87
G_6 0.00 0.00 0.00 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
C3 3
120 deg rotation - cart. axis [1,1,1]
-C3 -3
120 deg rotation - cart. axis [1,1,1] E
C3^2 2
120 deg rotation - cart. axis [-1,-1,-1]
-C3^2 -2
120 deg rotation - cart. axis [-1,-1,-1] E
Cartesian axes
number of k points= 359 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 2) = ( 0.0089286 -0.0089286 0.0089286), wk = 0.0027855
k( 3) = ( 0.0178571 -0.0178571 0.0178571), wk = 0.0027855
k( 4) = ( 0.0267857 -0.0267857 0.0267857), wk = 0.0027855
k( 5) = ( 0.0357143 -0.0357143 0.0357143), wk = 0.0027855
k( 6) = ( 0.0446429 -0.0446429 0.0446429), wk = 0.0027855
k( 7) = ( 0.0535714 -0.0535714 0.0535714), wk = 0.0027855
k( 8) = ( 0.0625000 -0.0625000 0.0625000), wk = 0.0027855
k( 9) = ( 0.0714286 -0.0714286 0.0714286), wk = 0.0027855
k( 10) = ( 0.0803571 -0.0803571 0.0803571), wk = 0.0027855
k( 11) = ( 0.0892857 -0.0892857 0.0892857), wk = 0.0027855
k( 12) = ( 0.0982143 -0.0982143 0.0982143), wk = 0.0027855
k( 13) = ( 0.1071429 -0.1071429 0.1071429), wk = 0.0027855
k( 14) = ( 0.1160714 -0.1160714 0.1160714), wk = 0.0027855
k( 15) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0027855
k( 16) = ( 0.1339286 -0.1339286 0.1339286), wk = 0.0027855
k( 17) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0027855
k( 18) = ( 0.1517857 -0.1517857 0.1517857), wk = 0.0027855
k( 19) = ( 0.1607143 -0.1607143 0.1607143), wk = 0.0027855
k( 20) = ( 0.1696429 -0.1696429 0.1696429), wk = 0.0027855
k( 21) = ( 0.1785714 -0.1785714 0.1785714), wk = 0.0027855
k( 22) = ( 0.1875000 -0.1875000 0.1875000), wk = 0.0027855
k( 23) = ( 0.1964286 -0.1964286 0.1964286), wk = 0.0027855
k( 24) = ( 0.2053571 -0.2053571 0.2053571), wk = 0.0027855
k( 25) = ( 0.2142857 -0.2142857 0.2142857), wk = 0.0027855
k( 26) = ( 0.2232143 -0.2232143 0.2232143), wk = 0.0027855
k( 27) = ( 0.2321429 -0.2321429 0.2321429), wk = 0.0027855
k( 28) = ( 0.2410714 -0.2410714 0.2410714), wk = 0.0027855
k( 29) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0027855
k( 30) = ( 0.2589286 -0.2589286 0.2589286), wk = 0.0027855
k( 31) = ( 0.2678571 -0.2678571 0.2678571), wk = 0.0027855
k( 32) = ( 0.2767857 -0.2767857 0.2767857), wk = 0.0027855
k( 33) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0027855
k( 34) = ( 0.2946429 -0.2946429 0.2946429), wk = 0.0027855
k( 35) = ( 0.3035714 -0.3035714 0.3035714), wk = 0.0027855
k( 36) = ( 0.3125000 -0.3125000 0.3125000), wk = 0.0027855
k( 37) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0027855
k( 38) = ( 0.3303571 -0.3303571 0.3303571), wk = 0.0027855
k( 39) = ( 0.3392857 -0.3392857 0.3392857), wk = 0.0027855
k( 40) = ( 0.3482143 -0.3482143 0.3482143), wk = 0.0027855
k( 41) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0027855
k( 42) = ( 0.3660714 -0.3660714 0.3660714), wk = 0.0027855
k( 43) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0027855
k( 44) = ( 0.3839286 -0.3839286 0.3839286), wk = 0.0027855
k( 45) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0027855
k( 46) = ( 0.4017857 -0.4017857 0.4017857), wk = 0.0027855
k( 47) = ( 0.4107143 -0.4107143 0.4107143), wk = 0.0027855
k( 48) = ( 0.4196429 -0.4196429 0.4196429), wk = 0.0027855
k( 49) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0027855
k( 50) = ( 0.4375000 -0.4375000 0.4375000), wk = 0.0027855
k( 51) = ( 0.4464286 -0.4464286 0.4464286), wk = 0.0027855
k( 52) = ( 0.4553571 -0.4553571 0.4553571), wk = 0.0027855
k( 53) = ( 0.4642857 -0.4642857 0.4642857), wk = 0.0027855
k( 54) = ( 0.4732143 -0.4732143 0.4732143), wk = 0.0027855
k( 55) = ( 0.4821429 -0.4821429 0.4821429), wk = 0.0027855
k( 56) = ( 0.4910714 -0.4910714 0.4910714), wk = 0.0027855
k( 57) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 58) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 61) = ( 0.5000000 -0.4846154 0.5000000), wk = 0.0027855
k( 62) = ( 0.5000000 -0.4692308 0.5000000), wk = 0.0027855
k( 63) = ( 0.5000000 -0.4538462 0.5000000), wk = 0.0027855
k( 64) = ( 0.5000000 -0.4384615 0.5000000), wk = 0.0027855
k( 65) = ( 0.5000000 -0.4230769 0.5000000), wk = 0.0027855
k( 66) = ( 0.5000000 -0.4076923 0.5000000), wk = 0.0027855
k( 67) = ( 0.5000000 -0.3923077 0.5000000), wk = 0.0027855
k( 68) = ( 0.5000000 -0.3769231 0.5000000), wk = 0.0027855
k( 69) = ( 0.5000000 -0.3615385 0.5000000), wk = 0.0027855
k( 70) = ( 0.5000000 -0.3461539 0.5000000), wk = 0.0027855
k( 71) = ( 0.5000000 -0.3307692 0.5000000), wk = 0.0027855
k( 72) = ( 0.5000000 -0.3153846 0.5000000), wk = 0.0027855
k( 73) = ( 0.5000000 -0.3000000 0.5000000), wk = 0.0027855
k( 74) = ( 0.5000000 -0.2846154 0.5000000), wk = 0.0027855
k( 75) = ( 0.5000000 -0.2692308 0.5000000), wk = 0.0027855
k( 76) = ( 0.5000000 -0.2538462 0.5000000), wk = 0.0027855
k( 77) = ( 0.5000000 -0.2384615 0.5000000), wk = 0.0027855
k( 78) = ( 0.5000000 -0.2230769 0.5000000), wk = 0.0027855
k( 79) = ( 0.5000000 -0.2076923 0.5000000), wk = 0.0027855
k( 80) = ( 0.5000000 -0.1923077 0.5000000), wk = 0.0027855
k( 81) = ( 0.5000000 -0.1769231 0.5000000), wk = 0.0027855
k( 82) = ( 0.5000000 -0.1615385 0.5000000), wk = 0.0027855
k( 83) = ( 0.5000000 -0.1461539 0.5000000), wk = 0.0027855
k( 84) = ( 0.5000000 -0.1307692 0.5000000), wk = 0.0027855
k( 85) = ( 0.5000000 -0.1153846 0.5000000), wk = 0.0027855
k( 86) = ( 0.5000000 -0.1000000 0.5000000), wk = 0.0027855
k( 87) = ( 0.5000000 -0.0846154 0.5000000), wk = 0.0027855
k( 88) = ( 0.5000000 -0.0692308 0.5000000), wk = 0.0027855
k( 89) = ( 0.5000000 -0.0538462 0.5000000), wk = 0.0027855
k( 90) = ( 0.5000000 -0.0384615 0.5000000), wk = 0.0027855
k( 91) = ( 0.5000000 -0.0230769 0.5000000), wk = 0.0027855
k( 92) = ( 0.5000000 -0.0076923 0.5000000), wk = 0.0027855
k( 93) = ( 0.5000000 0.0076923 0.5000000), wk = 0.0027855
k( 94) = ( 0.5000000 0.0230769 0.5000000), wk = 0.0027855
k( 95) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027855
k( 96) = ( 0.5000000 0.0538461 0.5000000), wk = 0.0027855
k( 97) = ( 0.5000000 0.0692308 0.5000000), wk = 0.0027855
k( 98) = ( 0.5000000 0.0846154 0.5000000), wk = 0.0027855
k( 99) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027855
k( 100) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027855
k( 101) = ( 0.5000000 0.1307692 0.5000000), wk = 0.0027855
k( 102) = ( 0.5000000 0.1461538 0.5000000), wk = 0.0027855
k( 103) = ( 0.5000000 0.1615385 0.5000000), wk = 0.0027855
k( 104) = ( 0.5000000 0.1769231 0.5000000), wk = 0.0027855
k( 105) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027855
k( 106) = ( 0.5000000 0.2076923 0.5000000), wk = 0.0027855
k( 107) = ( 0.5000000 0.2230769 0.5000000), wk = 0.0027855
k( 108) = ( 0.5000000 0.2384615 0.5000000), wk = 0.0027855
k( 109) = ( 0.5000000 0.2538461 0.5000000), wk = 0.0027855
k( 110) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027855
k( 111) = ( 0.5000000 0.2846154 0.5000000), wk = 0.0027855
k( 112) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027855
k( 113) = ( 0.5000000 0.3153846 0.5000000), wk = 0.0027855
k( 114) = ( 0.5000000 0.3307692 0.5000000), wk = 0.0027855
k( 115) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027855
k( 116) = ( 0.5000000 0.3615385 0.5000000), wk = 0.0027855
k( 117) = ( 0.5000000 0.3769231 0.5000000), wk = 0.0027855
k( 118) = ( 0.5000000 0.3923077 0.5000000), wk = 0.0027855
k( 119) = ( 0.5000000 0.4076923 0.5000000), wk = 0.0027855
k( 120) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027855
k( 121) = ( 0.5000000 0.4384615 0.5000000), wk = 0.0027855
k( 122) = ( 0.5000000 0.4538461 0.5000000), wk = 0.0027855
k( 123) = ( 0.5000000 0.4692308 0.5000000), wk = 0.0027855
k( 124) = ( 0.5000000 0.4846154 0.5000000), wk = 0.0027855
k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855
k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855
k( 127) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0027855
k( 128) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0027855
k( 129) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0027855
k( 130) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0027855
k( 131) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0027855
k( 132) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0027855
k( 133) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855
k( 134) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0027855
k( 135) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0027855
k( 136) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0027855
k( 137) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0027855
k( 138) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0027855
k( 139) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0027855
k( 140) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855
k( 141) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0027855
k( 142) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0027855
k( 143) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0027855
k( 144) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0027855
k( 145) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0027855
k( 146) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0027855
k( 147) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855
k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0027855
k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0027855
k( 150) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0027855
k( 151) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0027855
k( 152) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0027855
k( 153) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0027855
k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855
k( 155) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0027855
k( 156) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0027855
k( 157) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0027855
k( 158) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0027855
k( 159) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0027855
k( 160) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0027855
k( 161) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855
k( 162) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0027855
k( 163) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0027855
k( 164) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0027855
k( 165) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0027855
k( 166) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0027855
k( 167) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0027855
k( 168) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855
k( 169) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0027855
k( 170) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0027855
k( 171) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0027855
k( 172) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0027855
k( 173) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0027855
k( 174) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0027855
k( 175) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855
k( 176) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0027855
k( 177) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0027855
k( 178) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0027855
k( 179) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0027855
k( 180) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0027855
k( 181) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0027855
k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 184) = ( 0.0108696 -0.0108696 0.0000000), wk = 0.0027855
k( 185) = ( 0.0217391 -0.0217391 0.0000000), wk = 0.0027855
k( 186) = ( 0.0326087 -0.0326087 0.0000000), wk = 0.0027855
k( 187) = ( 0.0434783 -0.0434783 0.0000000), wk = 0.0027855
k( 188) = ( 0.0543478 -0.0543478 0.0000000), wk = 0.0027855
k( 189) = ( 0.0652174 -0.0652174 0.0000000), wk = 0.0027855
k( 190) = ( 0.0760870 -0.0760870 0.0000000), wk = 0.0027855
k( 191) = ( 0.0869565 -0.0869565 0.0000000), wk = 0.0027855
k( 192) = ( 0.0978261 -0.0978261 0.0000000), wk = 0.0027855
k( 193) = ( 0.1086957 -0.1086957 0.0000000), wk = 0.0027855
k( 194) = ( 0.1195652 -0.1195652 0.0000000), wk = 0.0027855
k( 195) = ( 0.1304348 -0.1304348 0.0000000), wk = 0.0027855
k( 196) = ( 0.1413043 -0.1413044 0.0000000), wk = 0.0027855
k( 197) = ( 0.1521739 -0.1521739 0.0000000), wk = 0.0027855
k( 198) = ( 0.1630435 -0.1630435 0.0000000), wk = 0.0027855
k( 199) = ( 0.1739130 -0.1739130 0.0000000), wk = 0.0027855
k( 200) = ( 0.1847826 -0.1847826 0.0000000), wk = 0.0027855
k( 201) = ( 0.1956522 -0.1956522 0.0000000), wk = 0.0027855
k( 202) = ( 0.2065217 -0.2065217 0.0000000), wk = 0.0027855
k( 203) = ( 0.2173913 -0.2173913 0.0000000), wk = 0.0027855
k( 204) = ( 0.2282609 -0.2282609 0.0000000), wk = 0.0027855
k( 205) = ( 0.2391304 -0.2391304 0.0000000), wk = 0.0027855
k( 206) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0027855
k( 207) = ( 0.2608696 -0.2608696 0.0000000), wk = 0.0027855
k( 208) = ( 0.2717391 -0.2717391 0.0000000), wk = 0.0027855
k( 209) = ( 0.2826087 -0.2826087 0.0000000), wk = 0.0027855
k( 210) = ( 0.2934783 -0.2934783 0.0000000), wk = 0.0027855
k( 211) = ( 0.3043478 -0.3043478 0.0000000), wk = 0.0027855
k( 212) = ( 0.3152174 -0.3152174 0.0000000), wk = 0.0027855
k( 213) = ( 0.3260870 -0.3260870 0.0000000), wk = 0.0027855
k( 214) = ( 0.3369565 -0.3369565 0.0000000), wk = 0.0027855
k( 215) = ( 0.3478261 -0.3478261 0.0000000), wk = 0.0027855
k( 216) = ( 0.3586956 -0.3586957 0.0000000), wk = 0.0027855
k( 217) = ( 0.3695652 -0.3695652 0.0000000), wk = 0.0027855
k( 218) = ( 0.3804348 -0.3804348 0.0000000), wk = 0.0027855
k( 219) = ( 0.3913044 -0.3913044 0.0000000), wk = 0.0027855
k( 220) = ( 0.4021739 -0.4021739 0.0000000), wk = 0.0027855
k( 221) = ( 0.4130435 -0.4130435 0.0000000), wk = 0.0027855
k( 222) = ( 0.4239130 -0.4239130 0.0000000), wk = 0.0027855
k( 223) = ( 0.4347826 -0.4347826 0.0000000), wk = 0.0027855
k( 224) = ( 0.4456522 -0.4456522 0.0000000), wk = 0.0027855
k( 225) = ( 0.4565217 -0.4565217 0.0000000), wk = 0.0027855
k( 226) = ( 0.4673913 -0.4673913 0.0000000), wk = 0.0027855
k( 227) = ( 0.4782609 -0.4782609 0.0000000), wk = 0.0027855
k( 228) = ( 0.4891304 -0.4891304 0.0000000), wk = 0.0027855
k( 229) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855
k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855
k( 231) = ( 0.5000000 -0.5000000 -0.0151515), wk = 0.0027855
k( 232) = ( 0.5000000 -0.5000000 -0.0303030), wk = 0.0027855
k( 233) = ( 0.5000000 -0.5000000 -0.0454546), wk = 0.0027855
k( 234) = ( 0.5000000 -0.5000000 -0.0606061), wk = 0.0027855
k( 235) = ( 0.5000000 -0.5000000 -0.0757576), wk = 0.0027855
k( 236) = ( 0.5000000 -0.5000000 -0.0909091), wk = 0.0027855
k( 237) = ( 0.5000000 -0.5000000 -0.1060606), wk = 0.0027855
k( 238) = ( 0.5000000 -0.5000000 -0.1212121), wk = 0.0027855
k( 239) = ( 0.5000000 -0.5000000 -0.1363636), wk = 0.0027855
k( 240) = ( 0.5000000 -0.5000000 -0.1515151), wk = 0.0027855
k( 241) = ( 0.5000000 -0.5000000 -0.1666667), wk = 0.0027855
k( 242) = ( 0.5000000 -0.5000000 -0.1818182), wk = 0.0027855
k( 243) = ( 0.5000000 -0.5000000 -0.1969697), wk = 0.0027855
k( 244) = ( 0.5000000 -0.5000000 -0.2121212), wk = 0.0027855
k( 245) = ( 0.5000000 -0.5000000 -0.2272727), wk = 0.0027855
k( 246) = ( 0.5000000 -0.5000000 -0.2424242), wk = 0.0027855
k( 247) = ( 0.5000000 -0.5000000 -0.2575758), wk = 0.0027855
k( 248) = ( 0.5000000 -0.5000000 -0.2727273), wk = 0.0027855
k( 249) = ( 0.5000000 -0.5000000 -0.2878788), wk = 0.0027855
k( 250) = ( 0.5000000 -0.5000000 -0.3030303), wk = 0.0027855
k( 251) = ( 0.5000000 -0.5000000 -0.3181818), wk = 0.0027855
k( 252) = ( 0.5000000 -0.5000000 -0.3333333), wk = 0.0027855
k( 253) = ( 0.5000000 -0.5000000 -0.3484849), wk = 0.0027855
k( 254) = ( 0.5000000 -0.5000000 -0.3636364), wk = 0.0027855
k( 255) = ( 0.5000000 -0.5000000 -0.3787879), wk = 0.0027855
k( 256) = ( 0.5000000 -0.5000000 -0.3939394), wk = 0.0027855
k( 257) = ( 0.5000000 -0.5000000 -0.4090909), wk = 0.0027855
k( 258) = ( 0.5000000 -0.5000000 -0.4242424), wk = 0.0027855
k( 259) = ( 0.5000000 -0.5000000 -0.4393939), wk = 0.0027855
k( 260) = ( 0.5000000 -0.5000000 -0.4545455), wk = 0.0027855
k( 261) = ( 0.5000000 -0.5000000 -0.4696970), wk = 0.0027855
k( 262) = ( 0.5000000 -0.5000000 -0.4848485), wk = 0.0027855
k( 263) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 264) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 265) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 266) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 267) = ( 0.5000000 -0.4891304 -0.4891304), wk = 0.0027855
k( 268) = ( 0.5000000 -0.4782609 -0.4782609), wk = 0.0027855
k( 269) = ( 0.5000000 -0.4673913 -0.4673913), wk = 0.0027855
k( 270) = ( 0.5000000 -0.4565217 -0.4565217), wk = 0.0027855
k( 271) = ( 0.5000000 -0.4456522 -0.4456522), wk = 0.0027855
k( 272) = ( 0.5000000 -0.4347826 -0.4347826), wk = 0.0027855
k( 273) = ( 0.5000000 -0.4239130 -0.4239130), wk = 0.0027855
k( 274) = ( 0.5000000 -0.4130435 -0.4130435), wk = 0.0027855
k( 275) = ( 0.5000000 -0.4021739 -0.4021739), wk = 0.0027855
k( 276) = ( 0.5000000 -0.3913044 -0.3913044), wk = 0.0027855
k( 277) = ( 0.5000000 -0.3804348 -0.3804348), wk = 0.0027855
k( 278) = ( 0.5000000 -0.3695652 -0.3695652), wk = 0.0027855
k( 279) = ( 0.5000000 -0.3586957 -0.3586956), wk = 0.0027855
k( 280) = ( 0.5000000 -0.3478261 -0.3478261), wk = 0.0027855
k( 281) = ( 0.5000000 -0.3369565 -0.3369565), wk = 0.0027855
k( 282) = ( 0.5000000 -0.3260870 -0.3260870), wk = 0.0027855
k( 283) = ( 0.5000000 -0.3152174 -0.3152174), wk = 0.0027855
k( 284) = ( 0.5000000 -0.3043478 -0.3043478), wk = 0.0027855
k( 285) = ( 0.5000000 -0.2934783 -0.2934783), wk = 0.0027855
k( 286) = ( 0.5000000 -0.2826087 -0.2826087), wk = 0.0027855
k( 287) = ( 0.5000000 -0.2717391 -0.2717391), wk = 0.0027855
k( 288) = ( 0.5000000 -0.2608696 -0.2608696), wk = 0.0027855
k( 289) = ( 0.5000000 -0.2500000 -0.2500000), wk = 0.0027855
k( 290) = ( 0.5000000 -0.2391304 -0.2391304), wk = 0.0027855
k( 291) = ( 0.5000000 -0.2282609 -0.2282609), wk = 0.0027855
k( 292) = ( 0.5000000 -0.2173913 -0.2173913), wk = 0.0027855
k( 293) = ( 0.5000000 -0.2065217 -0.2065217), wk = 0.0027855
k( 294) = ( 0.5000000 -0.1956522 -0.1956522), wk = 0.0027855
k( 295) = ( 0.5000000 -0.1847826 -0.1847826), wk = 0.0027855
k( 296) = ( 0.5000000 -0.1739130 -0.1739130), wk = 0.0027855
k( 297) = ( 0.5000000 -0.1630435 -0.1630435), wk = 0.0027855
k( 298) = ( 0.5000000 -0.1521739 -0.1521739), wk = 0.0027855
k( 299) = ( 0.5000000 -0.1413044 -0.1413044), wk = 0.0027855
k( 300) = ( 0.5000000 -0.1304348 -0.1304348), wk = 0.0027855
k( 301) = ( 0.5000000 -0.1195652 -0.1195652), wk = 0.0027855
k( 302) = ( 0.5000000 -0.1086957 -0.1086957), wk = 0.0027855
k( 303) = ( 0.5000000 -0.0978261 -0.0978261), wk = 0.0027855
k( 304) = ( 0.5000000 -0.0869565 -0.0869565), wk = 0.0027855
k( 305) = ( 0.5000000 -0.0760870 -0.0760870), wk = 0.0027855
k( 306) = ( 0.5000000 -0.0652174 -0.0652174), wk = 0.0027855
k( 307) = ( 0.5000000 -0.0543478 -0.0543478), wk = 0.0027855
k( 308) = ( 0.5000000 -0.0434783 -0.0434783), wk = 0.0027855
k( 309) = ( 0.5000000 -0.0326087 -0.0326087), wk = 0.0027855
k( 310) = ( 0.5000000 -0.0217391 -0.0217391), wk = 0.0027855
k( 311) = ( 0.5000000 -0.0108696 -0.0108696), wk = 0.0027855
k( 312) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027855
k( 313) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027855
k( 314) = ( 0.5000000 -0.0108696 0.0108696), wk = 0.0027855
k( 315) = ( 0.5000000 -0.0217391 0.0217391), wk = 0.0027855
k( 316) = ( 0.5000000 -0.0326087 0.0326087), wk = 0.0027855
k( 317) = ( 0.5000000 -0.0434783 0.0434783), wk = 0.0027855
k( 318) = ( 0.5000000 -0.0543478 0.0543478), wk = 0.0027855
k( 319) = ( 0.5000000 -0.0652174 0.0652174), wk = 0.0027855
k( 320) = ( 0.5000000 -0.0760870 0.0760870), wk = 0.0027855
k( 321) = ( 0.5000000 -0.0869565 0.0869565), wk = 0.0027855
k( 322) = ( 0.5000000 -0.0978261 0.0978261), wk = 0.0027855
k( 323) = ( 0.5000000 -0.1086957 0.1086956), wk = 0.0027855
k( 324) = ( 0.5000000 -0.1195652 0.1195652), wk = 0.0027855
k( 325) = ( 0.5000000 -0.1304348 0.1304348), wk = 0.0027855
k( 326) = ( 0.5000000 -0.1413044 0.1413043), wk = 0.0027855
k( 327) = ( 0.5000000 -0.1521739 0.1521739), wk = 0.0027855
k( 328) = ( 0.5000000 -0.1630435 0.1630435), wk = 0.0027855
k( 329) = ( 0.5000000 -0.1739130 0.1739130), wk = 0.0027855
k( 330) = ( 0.5000000 -0.1847826 0.1847826), wk = 0.0027855
k( 331) = ( 0.5000000 -0.1956522 0.1956522), wk = 0.0027855
k( 332) = ( 0.5000000 -0.2065217 0.2065217), wk = 0.0027855
k( 333) = ( 0.5000000 -0.2173913 0.2173913), wk = 0.0027855
k( 334) = ( 0.5000000 -0.2282609 0.2282609), wk = 0.0027855
k( 335) = ( 0.5000000 -0.2391304 0.2391304), wk = 0.0027855
k( 336) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0027855
k( 337) = ( 0.5000000 -0.2608696 0.2608696), wk = 0.0027855
k( 338) = ( 0.5000000 -0.2717391 0.2717391), wk = 0.0027855
k( 339) = ( 0.5000000 -0.2826087 0.2826087), wk = 0.0027855
k( 340) = ( 0.5000000 -0.2934783 0.2934783), wk = 0.0027855
k( 341) = ( 0.5000000 -0.3043478 0.3043478), wk = 0.0027855
k( 342) = ( 0.5000000 -0.3152174 0.3152174), wk = 0.0027855
k( 343) = ( 0.5000000 -0.3260870 0.3260870), wk = 0.0027855
k( 344) = ( 0.5000000 -0.3369565 0.3369565), wk = 0.0027855
k( 345) = ( 0.5000000 -0.3478261 0.3478261), wk = 0.0027855
k( 346) = ( 0.5000000 -0.3586957 0.3586956), wk = 0.0027855
k( 347) = ( 0.5000000 -0.3695652 0.3695652), wk = 0.0027855
k( 348) = ( 0.5000000 -0.3804348 0.3804348), wk = 0.0027855
k( 349) = ( 0.5000000 -0.3913044 0.3913044), wk = 0.0027855
k( 350) = ( 0.5000000 -0.4021739 0.4021739), wk = 0.0027855
k( 351) = ( 0.5000000 -0.4130435 0.4130435), wk = 0.0027855
k( 352) = ( 0.5000000 -0.4239130 0.4239130), wk = 0.0027855
k( 353) = ( 0.5000000 -0.4347826 0.4347826), wk = 0.0027855
k( 354) = ( 0.5000000 -0.4456522 0.4456522), wk = 0.0027855
k( 355) = ( 0.5000000 -0.4565217 0.4565217), wk = 0.0027855
k( 356) = ( 0.5000000 -0.4673913 0.4673913), wk = 0.0027855
k( 357) = ( 0.5000000 -0.4782609 0.4782609), wk = 0.0027855
k( 358) = ( 0.5000000 -0.4891304 0.4891304), wk = 0.0027855
k( 359) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 2) = ( 0.0089286 -0.0089286 0.0089286), wk = 0.0027855
k( 3) = ( 0.0178571 -0.0178571 0.0178571), wk = 0.0027855
k( 4) = ( 0.0267857 -0.0267857 0.0267857), wk = 0.0027855
k( 5) = ( 0.0357143 -0.0357143 0.0357143), wk = 0.0027855
k( 6) = ( 0.0446429 -0.0446429 0.0446429), wk = 0.0027855
k( 7) = ( 0.0535714 -0.0535714 0.0535714), wk = 0.0027855
k( 8) = ( 0.0625000 -0.0625000 0.0625000), wk = 0.0027855
k( 9) = ( 0.0714286 -0.0714286 0.0714286), wk = 0.0027855
k( 10) = ( 0.0803571 -0.0803571 0.0803571), wk = 0.0027855
k( 11) = ( 0.0892857 -0.0892857 0.0892857), wk = 0.0027855
k( 12) = ( 0.0982143 -0.0982143 0.0982143), wk = 0.0027855
k( 13) = ( 0.1071429 -0.1071429 0.1071429), wk = 0.0027855
k( 14) = ( 0.1160714 -0.1160714 0.1160714), wk = 0.0027855
k( 15) = ( 0.1250000 -0.1250000 0.1250000), wk = 0.0027855
k( 16) = ( 0.1339286 -0.1339286 0.1339286), wk = 0.0027855
k( 17) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0027855
k( 18) = ( 0.1517857 -0.1517857 0.1517857), wk = 0.0027855
k( 19) = ( 0.1607143 -0.1607143 0.1607143), wk = 0.0027855
k( 20) = ( 0.1696429 -0.1696429 0.1696429), wk = 0.0027855
k( 21) = ( 0.1785714 -0.1785714 0.1785714), wk = 0.0027855
k( 22) = ( 0.1875000 -0.1875000 0.1875000), wk = 0.0027855
k( 23) = ( 0.1964286 -0.1964286 0.1964286), wk = 0.0027855
k( 24) = ( 0.2053571 -0.2053571 0.2053571), wk = 0.0027855
k( 25) = ( 0.2142857 -0.2142857 0.2142857), wk = 0.0027855
k( 26) = ( 0.2232143 -0.2232143 0.2232143), wk = 0.0027855
k( 27) = ( 0.2321429 -0.2321429 0.2321429), wk = 0.0027855
k( 28) = ( 0.2410714 -0.2410714 0.2410714), wk = 0.0027855
k( 29) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0027855
k( 30) = ( 0.2589286 -0.2589286 0.2589286), wk = 0.0027855
k( 31) = ( 0.2678571 -0.2678571 0.2678571), wk = 0.0027855
k( 32) = ( 0.2767857 -0.2767857 0.2767857), wk = 0.0027855
k( 33) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0027855
k( 34) = ( 0.2946429 -0.2946429 0.2946429), wk = 0.0027855
k( 35) = ( 0.3035714 -0.3035714 0.3035714), wk = 0.0027855
k( 36) = ( 0.3125000 -0.3125000 0.3125000), wk = 0.0027855
k( 37) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0027855
k( 38) = ( 0.3303571 -0.3303571 0.3303571), wk = 0.0027855
k( 39) = ( 0.3392857 -0.3392857 0.3392857), wk = 0.0027855
k( 40) = ( 0.3482143 -0.3482143 0.3482143), wk = 0.0027855
k( 41) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0027855
k( 42) = ( 0.3660714 -0.3660714 0.3660714), wk = 0.0027855
k( 43) = ( 0.3750000 -0.3750000 0.3750000), wk = 0.0027855
k( 44) = ( 0.3839286 -0.3839286 0.3839286), wk = 0.0027855
k( 45) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0027855
k( 46) = ( 0.4017857 -0.4017857 0.4017857), wk = 0.0027855
k( 47) = ( 0.4107143 -0.4107143 0.4107143), wk = 0.0027855
k( 48) = ( 0.4196429 -0.4196429 0.4196429), wk = 0.0027855
k( 49) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0027855
k( 50) = ( 0.4375000 -0.4375000 0.4375000), wk = 0.0027855
k( 51) = ( 0.4464286 -0.4464286 0.4464286), wk = 0.0027855
k( 52) = ( 0.4553571 -0.4553571 0.4553571), wk = 0.0027855
k( 53) = ( 0.4642857 -0.4642857 0.4642857), wk = 0.0027855
k( 54) = ( 0.4732143 -0.4732143 0.4732143), wk = 0.0027855
k( 55) = ( 0.4821429 -0.4821429 0.4821429), wk = 0.0027855
k( 56) = ( 0.4910714 -0.4910714 0.4910714), wk = 0.0027855
k( 57) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 58) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
k( 61) = ( 0.5000000 -0.4846154 0.5000000), wk = 0.0027855
k( 62) = ( 0.5000000 -0.4692308 0.5000000), wk = 0.0027855
k( 63) = ( 0.5000000 -0.4538462 0.5000000), wk = 0.0027855
k( 64) = ( 0.5000000 -0.4384615 0.5000000), wk = 0.0027855
k( 65) = ( 0.5000000 -0.4230769 0.5000000), wk = 0.0027855
k( 66) = ( 0.5000000 -0.4076923 0.5000000), wk = 0.0027855
k( 67) = ( 0.5000000 -0.3923077 0.5000000), wk = 0.0027855
k( 68) = ( 0.5000000 -0.3769231 0.5000000), wk = 0.0027855
k( 69) = ( 0.5000000 -0.3615385 0.5000000), wk = 0.0027855
k( 70) = ( 0.5000000 -0.3461538 0.5000000), wk = 0.0027855
k( 71) = ( 0.5000000 -0.3307692 0.5000000), wk = 0.0027855
k( 72) = ( 0.5000000 -0.3153846 0.5000000), wk = 0.0027855
k( 73) = ( 0.5000000 -0.3000000 0.5000000), wk = 0.0027855
k( 74) = ( 0.5000000 -0.2846154 0.5000000), wk = 0.0027855
k( 75) = ( 0.5000000 -0.2692308 0.5000000), wk = 0.0027855
k( 76) = ( 0.5000000 -0.2538461 0.5000000), wk = 0.0027855
k( 77) = ( 0.5000000 -0.2384615 0.5000000), wk = 0.0027855
k( 78) = ( 0.5000000 -0.2230769 0.5000000), wk = 0.0027855
k( 79) = ( 0.5000000 -0.2076923 0.5000000), wk = 0.0027855
k( 80) = ( 0.5000000 -0.1923077 0.5000000), wk = 0.0027855
k( 81) = ( 0.5000000 -0.1769231 0.5000000), wk = 0.0027855
k( 82) = ( 0.5000000 -0.1615385 0.5000000), wk = 0.0027855
k( 83) = ( 0.5000000 -0.1461539 0.5000000), wk = 0.0027855
k( 84) = ( 0.5000000 -0.1307692 0.5000000), wk = 0.0027855
k( 85) = ( 0.5000000 -0.1153846 0.5000000), wk = 0.0027855
k( 86) = ( 0.5000000 -0.1000000 0.5000000), wk = 0.0027855
k( 87) = ( 0.5000000 -0.0846154 0.5000000), wk = 0.0027855
k( 88) = ( 0.5000000 -0.0692308 0.5000000), wk = 0.0027855
k( 89) = ( 0.5000000 -0.0538462 0.5000000), wk = 0.0027855
k( 90) = ( 0.5000000 -0.0384615 0.5000000), wk = 0.0027855
k( 91) = ( 0.5000000 -0.0230769 0.5000000), wk = 0.0027855
k( 92) = ( 0.5000000 -0.0076923 0.5000000), wk = 0.0027855
k( 93) = ( 0.5000000 0.0076923 0.5000000), wk = 0.0027855
k( 94) = ( 0.5000000 0.0230769 0.5000000), wk = 0.0027855
k( 95) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027855
k( 96) = ( 0.5000000 0.0538462 0.5000000), wk = 0.0027855
k( 97) = ( 0.5000000 0.0692308 0.5000000), wk = 0.0027855
k( 98) = ( 0.5000000 0.0846154 0.5000000), wk = 0.0027855
k( 99) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0027855
k( 100) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027855
k( 101) = ( 0.5000000 0.1307692 0.5000000), wk = 0.0027855
k( 102) = ( 0.5000000 0.1461539 0.5000000), wk = 0.0027855
k( 103) = ( 0.5000000 0.1615385 0.5000000), wk = 0.0027855
k( 104) = ( 0.5000000 0.1769231 0.5000000), wk = 0.0027855
k( 105) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027855
k( 106) = ( 0.5000000 0.2076923 0.5000000), wk = 0.0027855
k( 107) = ( 0.5000000 0.2230769 0.5000000), wk = 0.0027855
k( 108) = ( 0.5000000 0.2384615 0.5000000), wk = 0.0027855
k( 109) = ( 0.5000000 0.2538461 0.5000000), wk = 0.0027855
k( 110) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027855
k( 111) = ( 0.5000000 0.2846154 0.5000000), wk = 0.0027855
k( 112) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0027855
k( 113) = ( 0.5000000 0.3153846 0.5000000), wk = 0.0027855
k( 114) = ( 0.5000000 0.3307692 0.5000000), wk = 0.0027855
k( 115) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027855
k( 116) = ( 0.5000000 0.3615385 0.5000000), wk = 0.0027855
k( 117) = ( 0.5000000 0.3769231 0.5000000), wk = 0.0027855
k( 118) = ( 0.5000000 0.3923077 0.5000000), wk = 0.0027855
k( 119) = ( 0.5000000 0.4076923 0.5000000), wk = 0.0027855
k( 120) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027855
k( 121) = ( 0.5000000 0.4384615 0.5000000), wk = 0.0027855
k( 122) = ( 0.5000000 0.4538462 0.5000000), wk = 0.0027855
k( 123) = ( 0.5000000 0.4692308 0.5000000), wk = 0.0027855
k( 124) = ( 0.5000000 0.4846154 0.5000000), wk = 0.0027855
k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855
k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855
k( 127) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0027855
k( 128) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0027855
k( 129) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0027855
k( 130) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0027855
k( 131) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0027855
k( 132) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0027855
k( 133) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027855
k( 134) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0027855
k( 135) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0027855
k( 136) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0027855
k( 137) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0027855
k( 138) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0027855
k( 139) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0027855
k( 140) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027855
k( 141) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0027855
k( 142) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0027855
k( 143) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0027855
k( 144) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0027855
k( 145) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0027855
k( 146) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0027855
k( 147) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027855
k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0027855
k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0027855
k( 150) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0027855
k( 151) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0027855
k( 152) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0027855
k( 153) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0027855
k( 154) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027855
k( 155) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0027855
k( 156) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0027855
k( 157) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0027855
k( 158) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0027855
k( 159) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0027855
k( 160) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0027855
k( 161) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027855
k( 162) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0027855
k( 163) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0027855
k( 164) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0027855
k( 165) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0027855
k( 166) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0027855
k( 167) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0027855
k( 168) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027855
k( 169) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0027855
k( 170) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0027855
k( 171) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0027855
k( 172) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0027855
k( 173) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0027855
k( 174) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0027855
k( 175) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027855
k( 176) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0027855
k( 177) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0027855
k( 178) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0027855
k( 179) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0027855
k( 180) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0027855
k( 181) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0027855
k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855
k( 184) = ( 0.0108696 -0.0108696 0.0000000), wk = 0.0027855
k( 185) = ( 0.0217391 -0.0217391 -0.0000000), wk = 0.0027855
k( 186) = ( 0.0326087 -0.0326087 0.0000000), wk = 0.0027855
k( 187) = ( 0.0434783 -0.0434783 -0.0000000), wk = 0.0027855
k( 188) = ( 0.0543478 -0.0543478 -0.0000000), wk = 0.0027855
k( 189) = ( 0.0652174 -0.0652174 0.0000000), wk = 0.0027855
k( 190) = ( 0.0760870 -0.0760870 0.0000000), wk = 0.0027855
k( 191) = ( 0.0869565 -0.0869565 -0.0000000), wk = 0.0027855
k( 192) = ( 0.0978261 -0.0978261 0.0000000), wk = 0.0027855
k( 193) = ( 0.1086957 -0.1086957 0.0000000), wk = 0.0027855
k( 194) = ( 0.1195652 -0.1195652 0.0000000), wk = 0.0027855
k( 195) = ( 0.1304348 -0.1304348 0.0000000), wk = 0.0027855
k( 196) = ( 0.1413043 -0.1413043 -0.0000000), wk = 0.0027855
k( 197) = ( 0.1521739 -0.1521739 0.0000000), wk = 0.0027855
k( 198) = ( 0.1630435 -0.1630435 -0.0000000), wk = 0.0027855
k( 199) = ( 0.1739130 -0.1739130 -0.0000000), wk = 0.0027855
k( 200) = ( 0.1847826 -0.1847826 -0.0000000), wk = 0.0027855
k( 201) = ( 0.1956522 -0.1956522 -0.0000000), wk = 0.0027855
k( 202) = ( 0.2065217 -0.2065217 0.0000000), wk = 0.0027855
k( 203) = ( 0.2173913 -0.2173913 0.0000000), wk = 0.0027855
k( 204) = ( 0.2282609 -0.2282609 0.0000000), wk = 0.0027855
k( 205) = ( 0.2391304 -0.2391304 0.0000000), wk = 0.0027855
k( 206) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0027855
k( 207) = ( 0.2608696 -0.2608696 0.0000000), wk = 0.0027855
k( 208) = ( 0.2717391 -0.2717391 0.0000000), wk = 0.0027855
k( 209) = ( 0.2826087 -0.2826087 -0.0000000), wk = 0.0027855
k( 210) = ( 0.2934783 -0.2934783 0.0000000), wk = 0.0027855
k( 211) = ( 0.3043478 -0.3043478 0.0000000), wk = 0.0027855
k( 212) = ( 0.3152174 -0.3152174 -0.0000000), wk = 0.0027855
k( 213) = ( 0.3260870 -0.3260870 -0.0000000), wk = 0.0027855
k( 214) = ( 0.3369565 -0.3369565 0.0000000), wk = 0.0027855
k( 215) = ( 0.3478261 -0.3478261 0.0000000), wk = 0.0027855
k( 216) = ( 0.3586956 -0.3586956 -0.0000000), wk = 0.0027855
k( 217) = ( 0.3695652 -0.3695652 -0.0000000), wk = 0.0027855
k( 218) = ( 0.3804348 -0.3804348 0.0000000), wk = 0.0027855
k( 219) = ( 0.3913044 -0.3913044 0.0000000), wk = 0.0027855
k( 220) = ( 0.4021739 -0.4021739 -0.0000000), wk = 0.0027855
k( 221) = ( 0.4130435 -0.4130435 0.0000000), wk = 0.0027855
k( 222) = ( 0.4239130 -0.4239130 0.0000000), wk = 0.0027855
k( 223) = ( 0.4347826 -0.4347826 0.0000000), wk = 0.0027855
k( 224) = ( 0.4456522 -0.4456522 0.0000000), wk = 0.0027855
k( 225) = ( 0.4565217 -0.4565217 0.0000000), wk = 0.0027855
k( 226) = ( 0.4673913 -0.4673913 0.0000000), wk = 0.0027855
k( 227) = ( 0.4782609 -0.4782609 0.0000000), wk = 0.0027855
k( 228) = ( 0.4891304 -0.4891304 0.0000000), wk = 0.0027855
k( 229) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855
k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0027855
k( 231) = ( 0.5000000 -0.5000000 -0.0151515), wk = 0.0027855
k( 232) = ( 0.5000000 -0.5000000 -0.0303030), wk = 0.0027855
k( 233) = ( 0.5000000 -0.5000000 -0.0454546), wk = 0.0027855
k( 234) = ( 0.5000000 -0.5000000 -0.0606061), wk = 0.0027855
k( 235) = ( 0.5000000 -0.5000000 -0.0757576), wk = 0.0027855
k( 236) = ( 0.5000000 -0.5000000 -0.0909091), wk = 0.0027855
k( 237) = ( 0.5000000 -0.5000000 -0.1060606), wk = 0.0027855
k( 238) = ( 0.5000000 -0.5000000 -0.1212121), wk = 0.0027855
k( 239) = ( 0.5000000 -0.5000000 -0.1363636), wk = 0.0027855
k( 240) = ( 0.5000000 -0.5000000 -0.1515151), wk = 0.0027855
k( 241) = ( 0.5000000 -0.5000000 -0.1666667), wk = 0.0027855
k( 242) = ( 0.5000000 -0.5000000 -0.1818182), wk = 0.0027855
k( 243) = ( 0.5000000 -0.5000000 -0.1969697), wk = 0.0027855
k( 244) = ( 0.5000000 -0.5000000 -0.2121212), wk = 0.0027855
k( 245) = ( 0.5000000 -0.5000000 -0.2272727), wk = 0.0027855
k( 246) = ( 0.5000000 -0.5000000 -0.2424242), wk = 0.0027855
k( 247) = ( 0.5000000 -0.5000000 -0.2575758), wk = 0.0027855
k( 248) = ( 0.5000000 -0.5000000 -0.2727273), wk = 0.0027855
k( 249) = ( 0.5000000 -0.5000000 -0.2878788), wk = 0.0027855
k( 250) = ( 0.5000000 -0.5000000 -0.3030303), wk = 0.0027855
k( 251) = ( 0.5000000 -0.5000000 -0.3181818), wk = 0.0027855
k( 252) = ( 0.5000000 -0.5000000 -0.3333333), wk = 0.0027855
k( 253) = ( 0.5000000 -0.5000000 -0.3484849), wk = 0.0027855
k( 254) = ( 0.5000000 -0.5000000 -0.3636364), wk = 0.0027855
k( 255) = ( 0.5000000 -0.5000000 -0.3787879), wk = 0.0027855
k( 256) = ( 0.5000000 -0.5000000 -0.3939394), wk = 0.0027855
k( 257) = ( 0.5000000 -0.5000000 -0.4090909), wk = 0.0027855
k( 258) = ( 0.5000000 -0.5000000 -0.4242424), wk = 0.0027855
k( 259) = ( 0.5000000 -0.5000000 -0.4393939), wk = 0.0027855
k( 260) = ( 0.5000000 -0.5000000 -0.4545455), wk = 0.0027855
k( 261) = ( 0.5000000 -0.5000000 -0.4696970), wk = 0.0027855
k( 262) = ( 0.5000000 -0.5000000 -0.4848485), wk = 0.0027855
k( 263) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 264) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 265) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 266) = ( 0.5000000 -0.5000000 -0.5000000), wk = 0.0027855
k( 267) = ( 0.5000000 -0.4891304 -0.4891304), wk = 0.0027855
k( 268) = ( 0.5000000 -0.4782609 -0.4782609), wk = 0.0027855
k( 269) = ( 0.5000000 -0.4673913 -0.4673913), wk = 0.0027855
k( 270) = ( 0.5000000 -0.4565217 -0.4565217), wk = 0.0027855
k( 271) = ( 0.5000000 -0.4456522 -0.4456522), wk = 0.0027855
k( 272) = ( 0.5000000 -0.4347826 -0.4347826), wk = 0.0027855
k( 273) = ( 0.5000000 -0.4239130 -0.4239130), wk = 0.0027855
k( 274) = ( 0.5000000 -0.4130435 -0.4130435), wk = 0.0027855
k( 275) = ( 0.5000000 -0.4021739 -0.4021739), wk = 0.0027855
k( 276) = ( 0.5000000 -0.3913044 -0.3913044), wk = 0.0027855
k( 277) = ( 0.5000000 -0.3804348 -0.3804348), wk = 0.0027855
k( 278) = ( 0.5000000 -0.3695652 -0.3695652), wk = 0.0027855
k( 279) = ( 0.5000000 -0.3586956 -0.3586956), wk = 0.0027855
k( 280) = ( 0.5000000 -0.3478261 -0.3478261), wk = 0.0027855
k( 281) = ( 0.5000000 -0.3369565 -0.3369565), wk = 0.0027855
k( 282) = ( 0.5000000 -0.3260870 -0.3260870), wk = 0.0027855
k( 283) = ( 0.5000000 -0.3152174 -0.3152174), wk = 0.0027855
k( 284) = ( 0.5000000 -0.3043478 -0.3043478), wk = 0.0027855
k( 285) = ( 0.5000000 -0.2934783 -0.2934783), wk = 0.0027855
k( 286) = ( 0.5000000 -0.2826087 -0.2826087), wk = 0.0027855
k( 287) = ( 0.5000000 -0.2717391 -0.2717391), wk = 0.0027855
k( 288) = ( 0.5000000 -0.2608696 -0.2608696), wk = 0.0027855
k( 289) = ( 0.5000000 -0.2500000 -0.2500000), wk = 0.0027855
k( 290) = ( 0.5000000 -0.2391304 -0.2391304), wk = 0.0027855
k( 291) = ( 0.5000000 -0.2282609 -0.2282609), wk = 0.0027855
k( 292) = ( 0.5000000 -0.2173913 -0.2173913), wk = 0.0027855
k( 293) = ( 0.5000000 -0.2065217 -0.2065217), wk = 0.0027855
k( 294) = ( 0.5000000 -0.1956522 -0.1956522), wk = 0.0027855
k( 295) = ( 0.5000000 -0.1847826 -0.1847826), wk = 0.0027855
k( 296) = ( 0.5000000 -0.1739130 -0.1739130), wk = 0.0027855
k( 297) = ( 0.5000000 -0.1630435 -0.1630435), wk = 0.0027855
k( 298) = ( 0.5000000 -0.1521739 -0.1521739), wk = 0.0027855
k( 299) = ( 0.5000000 -0.1413043 -0.1413043), wk = 0.0027855
k( 300) = ( 0.5000000 -0.1304348 -0.1304348), wk = 0.0027855
k( 301) = ( 0.5000000 -0.1195652 -0.1195652), wk = 0.0027855
k( 302) = ( 0.5000000 -0.1086957 -0.1086957), wk = 0.0027855
k( 303) = ( 0.5000000 -0.0978261 -0.0978261), wk = 0.0027855
k( 304) = ( 0.5000000 -0.0869565 -0.0869565), wk = 0.0027855
k( 305) = ( 0.5000000 -0.0760870 -0.0760870), wk = 0.0027855
k( 306) = ( 0.5000000 -0.0652174 -0.0652174), wk = 0.0027855
k( 307) = ( 0.5000000 -0.0543478 -0.0543478), wk = 0.0027855
k( 308) = ( 0.5000000 -0.0434783 -0.0434783), wk = 0.0027855
k( 309) = ( 0.5000000 -0.0326087 -0.0326087), wk = 0.0027855
k( 310) = ( 0.5000000 -0.0217391 -0.0217391), wk = 0.0027855
k( 311) = ( 0.5000000 -0.0108696 -0.0108696), wk = 0.0027855
k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855
k( 313) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027855
k( 314) = ( 0.5000000 -0.0108696 0.0108696), wk = 0.0027855
k( 315) = ( 0.5000000 -0.0217391 0.0217391), wk = 0.0027855
k( 316) = ( 0.5000000 -0.0326087 0.0326087), wk = 0.0027855
k( 317) = ( 0.5000000 -0.0434783 0.0434783), wk = 0.0027855
k( 318) = ( 0.5000000 -0.0543478 0.0543478), wk = 0.0027855
k( 319) = ( 0.5000000 -0.0652174 0.0652174), wk = 0.0027855
k( 320) = ( 0.5000000 -0.0760870 0.0760870), wk = 0.0027855
k( 321) = ( 0.5000000 -0.0869565 0.0869565), wk = 0.0027855
k( 322) = ( 0.5000000 -0.0978261 0.0978261), wk = 0.0027855
k( 323) = ( 0.5000000 -0.1086957 0.1086957), wk = 0.0027855
k( 324) = ( 0.5000000 -0.1195652 0.1195652), wk = 0.0027855
k( 325) = ( 0.5000000 -0.1304348 0.1304348), wk = 0.0027855
k( 326) = ( 0.5000000 -0.1413043 0.1413043), wk = 0.0027855
k( 327) = ( 0.5000000 -0.1521739 0.1521739), wk = 0.0027855
k( 328) = ( 0.5000000 -0.1630435 0.1630435), wk = 0.0027855
k( 329) = ( 0.5000000 -0.1739130 0.1739130), wk = 0.0027855
k( 330) = ( 0.5000000 -0.1847826 0.1847826), wk = 0.0027855
k( 331) = ( 0.5000000 -0.1956522 0.1956522), wk = 0.0027855
k( 332) = ( 0.5000000 -0.2065217 0.2065217), wk = 0.0027855
k( 333) = ( 0.5000000 -0.2173913 0.2173913), wk = 0.0027855
k( 334) = ( 0.5000000 -0.2282609 0.2282609), wk = 0.0027855
k( 335) = ( 0.5000000 -0.2391304 0.2391304), wk = 0.0027855
k( 336) = ( 0.5000000 -0.2500000 0.2500000), wk = 0.0027855
k( 337) = ( 0.5000000 -0.2608696 0.2608696), wk = 0.0027855
k( 338) = ( 0.5000000 -0.2717391 0.2717391), wk = 0.0027855
k( 339) = ( 0.5000000 -0.2826087 0.2826087), wk = 0.0027855
k( 340) = ( 0.5000000 -0.2934783 0.2934783), wk = 0.0027855
k( 341) = ( 0.5000000 -0.3043478 0.3043478), wk = 0.0027855
k( 342) = ( 0.5000000 -0.3152174 0.3152174), wk = 0.0027855
k( 343) = ( 0.5000000 -0.3260870 0.3260870), wk = 0.0027855
k( 344) = ( 0.5000000 -0.3369565 0.3369565), wk = 0.0027855
k( 345) = ( 0.5000000 -0.3478261 0.3478261), wk = 0.0027855
k( 346) = ( 0.5000000 -0.3586956 0.3586956), wk = 0.0027855
k( 347) = ( 0.5000000 -0.3695652 0.3695652), wk = 0.0027855
k( 348) = ( 0.5000000 -0.3804348 0.3804348), wk = 0.0027855
k( 349) = ( 0.5000000 -0.3913044 0.3913044), wk = 0.0027855
k( 350) = ( 0.5000000 -0.4021739 0.4021739), wk = 0.0027855
k( 351) = ( 0.5000000 -0.4130435 0.4130435), wk = 0.0027855
k( 352) = ( 0.5000000 -0.4239130 0.4239130), wk = 0.0027855
k( 353) = ( 0.5000000 -0.4347826 0.4347826), wk = 0.0027855
k( 354) = ( 0.5000000 -0.4456522 0.4456522), wk = 0.0027855
k( 355) = ( 0.5000000 -0.4565217 0.4565217), wk = 0.0027855
k( 356) = ( 0.5000000 -0.4673913 0.4673913), wk = 0.0027855
k( 357) = ( 0.5000000 -0.4782609 0.4782609), wk = 0.0027855
k( 358) = ( 0.5000000 -0.4891304 0.4891304), wk = 0.0027855
k( 359) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0027855
Dense grid: 32795 G-vectors FFT dimensions: ( 40, 40, 40)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.12 Mb ( 136, 56)
NL pseudopotentials 0.18 Mb ( 68, 170)
Each V/rho on FFT grid 0.02 Mb ( 1600)
Each G-vector array 0.00 Mb ( 513)
G-vector shells 0.00 Mb ( 177)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.46 Mb ( 136, 224)
Each subspace H/S matrix 0.77 Mb ( 224, 224)
Each <psi_i|beta_j> matrix 0.29 Mb ( 170, 2, 56)
The potential is recalculated from file :
./Ag3SI.save/charge-density.dat
Starting wfc are 70 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 5.9 secs
Computing kpt #: 2
total cpu time spent up to now is 7.5 secs
Computing kpt #: 3
total cpu time spent up to now is 9.0 secs
Computing kpt #: 4
total cpu time spent up to now is 10.5 secs
Computing kpt #: 5
total cpu time spent up to now is 11.8 secs
Computing kpt #: 6
total cpu time spent up to now is 13.1 secs
Computing kpt #: 7
total cpu time spent up to now is 14.4 secs
Computing kpt #: 8
total cpu time spent up to now is 15.6 secs
Computing kpt #: 9
total cpu time spent up to now is 16.7 secs
Computing kpt #: 10
total cpu time spent up to now is 17.8 secs
Computing kpt #: 11
total cpu time spent up to now is 18.9 secs
Computing kpt #: 12
total cpu time spent up to now is 20.0 secs
Computing kpt #: 13
total cpu time spent up to now is 21.4 secs
Computing kpt #: 14
total cpu time spent up to now is 23.8 secs
Computing kpt #: 15
total cpu time spent up to now is 25.1 secs
Computing kpt #: 16
total cpu time spent up to now is 26.1 secs
Computing kpt #: 17
total cpu time spent up to now is 27.1 secs
Computing kpt #: 18
total cpu time spent up to now is 28.1 secs
Computing kpt #: 19
total cpu time spent up to now is 29.1 secs
Computing kpt #: 20
total cpu time spent up to now is 30.0 secs
Computing kpt #: 21
total cpu time spent up to now is 30.9 secs
Computing kpt #: 22
total cpu time spent up to now is 31.9 secs
Computing kpt #: 23
total cpu time spent up to now is 32.8 secs
Computing kpt #: 24
total cpu time spent up to now is 33.7 secs
Computing kpt #: 25
total cpu time spent up to now is 34.6 secs
Computing kpt #: 26
total cpu time spent up to now is 35.4 secs
Computing kpt #: 27
total cpu time spent up to now is 36.3 secs
Computing kpt #: 28
total cpu time spent up to now is 37.2 secs
Computing kpt #: 29
total cpu time spent up to now is 38.1 secs
Computing kpt #: 30
total cpu time spent up to now is 39.0 secs
Computing kpt #: 31
total cpu time spent up to now is 39.9 secs
Computing kpt #: 32
total cpu time spent up to now is 40.8 secs
Computing kpt #: 33
total cpu time spent up to now is 41.7 secs
Computing kpt #: 34
total cpu time spent up to now is 42.6 secs
Computing kpt #: 35
total cpu time spent up to now is 43.5 secs
Computing kpt #: 36
total cpu time spent up to now is 44.5 secs
Computing kpt #: 37
total cpu time spent up to now is 45.4 secs
Computing kpt #: 38
total cpu time spent up to now is 46.3 secs
Computing kpt #: 39
total cpu time spent up to now is 47.2 secs
Computing kpt #: 40
total cpu time spent up to now is 48.2 secs
Computing kpt #: 41
total cpu time spent up to now is 49.1 secs
Computing kpt #: 42
total cpu time spent up to now is 50.0 secs
Computing kpt #: 43
total cpu time spent up to now is 50.9 secs
Computing kpt #: 44
total cpu time spent up to now is 51.8 secs
Computing kpt #: 45
total cpu time spent up to now is 52.7 secs
Computing kpt #: 46
total cpu time spent up to now is 53.6 secs
Computing kpt #: 47
total cpu time spent up to now is 54.5 secs
Computing kpt #: 48
total cpu time spent up to now is 55.4 secs
Computing kpt #: 49
total cpu time spent up to now is 56.3 secs
Computing kpt #: 50
total cpu time spent up to now is 57.1 secs
Computing kpt #: 51
total cpu time spent up to now is 60.6 secs
Computing kpt #: 52
total cpu time spent up to now is 62.3 secs
Computing kpt #: 53
total cpu time spent up to now is 63.3 secs
Computing kpt #: 54
total cpu time spent up to now is 65.2 secs
Computing kpt #: 55
total cpu time spent up to now is 67.5 secs
Computing kpt #: 56
total cpu time spent up to now is 68.6 secs
Computing kpt #: 57
total cpu time spent up to now is 70.7 secs
Computing kpt #: 58
total cpu time spent up to now is 73.4 secs
Computing kpt #: 59
total cpu time spent up to now is 74.2 secs
Computing kpt #: 60
total cpu time spent up to now is 75.1 secs
Computing kpt #: 61
total cpu time spent up to now is 76.0 secs
Computing kpt #: 62
total cpu time spent up to now is 76.9 secs
Computing kpt #: 63
total cpu time spent up to now is 77.8 secs
Computing kpt #: 64
total cpu time spent up to now is 78.7 secs
Computing kpt #: 65
total cpu time spent up to now is 79.6 secs
Computing kpt #: 66
total cpu time spent up to now is 80.6 secs
Computing kpt #: 67
total cpu time spent up to now is 81.5 secs
Computing kpt #: 68
total cpu time spent up to now is 82.5 secs
Computing kpt #: 69
total cpu time spent up to now is 83.6 secs
Computing kpt #: 70
total cpu time spent up to now is 84.5 secs
Computing kpt #: 71
total cpu time spent up to now is 85.3 secs
Computing kpt #: 72
total cpu time spent up to now is 86.2 secs
Computing kpt #: 73
total cpu time spent up to now is 87.1 secs
Computing kpt #: 74
total cpu time spent up to now is 88.0 secs
Computing kpt #: 75
total cpu time spent up to now is 88.9 secs
Computing kpt #: 76
total cpu time spent up to now is 89.9 secs
Computing kpt #: 77
total cpu time spent up to now is 90.8 secs
Computing kpt #: 78
total cpu time spent up to now is 91.7 secs
Computing kpt #: 79
total cpu time spent up to now is 92.6 secs
Computing kpt #: 80
total cpu time spent up to now is 93.5 secs
Computing kpt #: 81
total cpu time spent up to now is 94.5 secs
Computing kpt #: 82
total cpu time spent up to now is 95.4 secs
Computing kpt #: 83
total cpu time spent up to now is 96.3 secs
Computing kpt #: 84
total cpu time spent up to now is 97.3 secs
Computing kpt #: 85
total cpu time spent up to now is 98.5 secs
Computing kpt #: 86
total cpu time spent up to now is 100.0 secs
Computing kpt #: 87
total cpu time spent up to now is 102.4 secs
Computing kpt #: 88
total cpu time spent up to now is 103.4 secs
Computing kpt #: 89
total cpu time spent up to now is 104.8 secs
Computing kpt #: 90
total cpu time spent up to now is 106.0 secs
Computing kpt #: 91
total cpu time spent up to now is 107.8 secs
Computing kpt #: 92
total cpu time spent up to now is 108.8 secs
Computing kpt #: 93
total cpu time spent up to now is 109.7 secs
Computing kpt #: 94
total cpu time spent up to now is 110.5 secs
Computing kpt #: 95
total cpu time spent up to now is 111.6 secs
Computing kpt #: 96
total cpu time spent up to now is 112.5 secs
Computing kpt #: 97
total cpu time spent up to now is 113.5 secs
Computing kpt #: 98
total cpu time spent up to now is 114.6 secs
Computing kpt #: 99
total cpu time spent up to now is 115.5 secs
Computing kpt #: 100
total cpu time spent up to now is 116.6 secs
Computing kpt #: 101
total cpu time spent up to now is 118.0 secs
Computing kpt #: 102
total cpu time spent up to now is 118.9 secs
Computing kpt #: 103
total cpu time spent up to now is 120.0 secs
Computing kpt #: 104
total cpu time spent up to now is 120.9 secs
Computing kpt #: 105
total cpu time spent up to now is 121.9 secs
Computing kpt #: 106
total cpu time spent up to now is 122.8 secs
Computing kpt #: 107
total cpu time spent up to now is 123.9 secs
Computing kpt #: 108
total cpu time spent up to now is 124.8 secs
Computing kpt #: 109
total cpu time spent up to now is 125.7 secs
Computing kpt #: 110
total cpu time spent up to now is 126.7 secs
Computing kpt #: 111
total cpu time spent up to now is 127.6 secs
Computing kpt #: 112
total cpu time spent up to now is 128.6 secs
Computing kpt #: 113
total cpu time spent up to now is 129.5 secs
Computing kpt #: 114
total cpu time spent up to now is 130.4 secs
Computing kpt #: 115
total cpu time spent up to now is 131.4 secs
Computing kpt #: 116
total cpu time spent up to now is 132.3 secs
Computing kpt #: 117
total cpu time spent up to now is 133.5 secs
Computing kpt #: 118
total cpu time spent up to now is 134.5 secs
Computing kpt #: 119
total cpu time spent up to now is 135.4 secs
Computing kpt #: 120
total cpu time spent up to now is 136.4 secs
Computing kpt #: 121
total cpu time spent up to now is 137.3 secs
Computing kpt #: 122
total cpu time spent up to now is 138.2 secs
Computing kpt #: 123
total cpu time spent up to now is 139.2 secs
Computing kpt #: 124
total cpu time spent up to now is 140.1 secs
Computing kpt #: 125
total cpu time spent up to now is 141.0 secs
Computing kpt #: 126
total cpu time spent up to now is 142.1 secs
Computing kpt #: 127
total cpu time spent up to now is 143.0 secs
Computing kpt #: 128
total cpu time spent up to now is 143.9 secs
Computing kpt #: 129
total cpu time spent up to now is 144.8 secs
Computing kpt #: 130
total cpu time spent up to now is 145.7 secs
Computing kpt #: 131
total cpu time spent up to now is 146.7 secs
Computing kpt #: 132
total cpu time spent up to now is 147.6 secs
Computing kpt #: 133
total cpu time spent up to now is 148.5 secs
Computing kpt #: 134
total cpu time spent up to now is 149.6 secs
Computing kpt #: 135
total cpu time spent up to now is 150.5 secs
Computing kpt #: 136
total cpu time spent up to now is 151.5 secs
Computing kpt #: 137
total cpu time spent up to now is 152.5 secs
Computing kpt #: 138
total cpu time spent up to now is 153.8 secs
Computing kpt #: 139
total cpu time spent up to now is 155.1 secs
Computing kpt #: 140
total cpu time spent up to now is 156.5 secs
Computing kpt #: 141
total cpu time spent up to now is 159.4 secs
Computing kpt #: 142
total cpu time spent up to now is 161.3 secs
Computing kpt #: 143
total cpu time spent up to now is 162.3 secs
Computing kpt #: 144
total cpu time spent up to now is 163.2 secs
Computing kpt #: 145
total cpu time spent up to now is 164.1 secs
Computing kpt #: 146
total cpu time spent up to now is 165.0 secs
Computing kpt #: 147
total cpu time spent up to now is 166.8 secs
Computing kpt #: 148
total cpu time spent up to now is 168.6 secs
Computing kpt #: 149
total cpu time spent up to now is 169.9 secs
Computing kpt #: 150
total cpu time spent up to now is 170.7 secs
Computing kpt #: 151
total cpu time spent up to now is 171.8 secs
Computing kpt #: 152
total cpu time spent up to now is 172.6 secs
Computing kpt #: 153
total cpu time spent up to now is 173.6 secs
Computing kpt #: 154
total cpu time spent up to now is 174.4 secs
Computing kpt #: 155
total cpu time spent up to now is 175.3 secs
Computing kpt #: 156
total cpu time spent up to now is 176.1 secs
Computing kpt #: 157
total cpu time spent up to now is 177.0 secs
Computing kpt #: 158
total cpu time spent up to now is 178.4 secs
Computing kpt #: 159
total cpu time spent up to now is 179.3 secs
Computing kpt #: 160
total cpu time spent up to now is 180.3 secs
Computing kpt #: 161
total cpu time spent up to now is 182.0 secs
Computing kpt #: 162
total cpu time spent up to now is 183.1 secs
Computing kpt #: 163
total cpu time spent up to now is 183.9 secs
Computing kpt #: 164
total cpu time spent up to now is 184.7 secs
Computing kpt #: 165
total cpu time spent up to now is 186.0 secs
Computing kpt #: 166
total cpu time spent up to now is 187.0 secs
Computing kpt #: 167
total cpu time spent up to now is 189.2 secs
Computing kpt #: 168
total cpu time spent up to now is 192.5 secs
Computing kpt #: 169
total cpu time spent up to now is 194.5 secs
Computing kpt #: 170
total cpu time spent up to now is 197.4 secs
Computing kpt #: 171
total cpu time spent up to now is 200.2 secs
Computing kpt #: 172
total cpu time spent up to now is 201.9 secs
Computing kpt #: 173
total cpu time spent up to now is 205.2 secs
Computing kpt #: 174
total cpu time spent up to now is 207.3 secs
Computing kpt #: 175
total cpu time spent up to now is 209.1 secs
Computing kpt #: 176
total cpu time spent up to now is 211.2 secs
Computing kpt #: 177
total cpu time spent up to now is 212.8 secs
Computing kpt #: 178
total cpu time spent up to now is 214.1 secs
Computing kpt #: 179
total cpu time spent up to now is 215.3 secs
Computing kpt #: 180
total cpu time spent up to now is 216.5 secs
Computing kpt #: 181
total cpu time spent up to now is 217.9 secs
Computing kpt #: 182
total cpu time spent up to now is 219.4 secs
Computing kpt #: 183
total cpu time spent up to now is 221.4 secs
Computing kpt #: 184
total cpu time spent up to now is 222.9 secs
Computing kpt #: 185
total cpu time spent up to now is 224.5 secs
Computing kpt #: 186
total cpu time spent up to now is 225.9 secs
Computing kpt #: 187
total cpu time spent up to now is 227.3 secs
Computing kpt #: 188
total cpu time spent up to now is 228.8 secs
Computing kpt #: 189
total cpu time spent up to now is 230.3 secs
Computing kpt #: 190
total cpu time spent up to now is 231.6 secs
Computing kpt #: 191
total cpu time spent up to now is 232.9 secs
Computing kpt #: 192
total cpu time spent up to now is 234.0 secs
Computing kpt #: 193
total cpu time spent up to now is 235.3 secs
Computing kpt #: 194
total cpu time spent up to now is 236.4 secs
Computing kpt #: 195
total cpu time spent up to now is 237.6 secs
Computing kpt #: 196
total cpu time spent up to now is 238.8 secs
Computing kpt #: 197
total cpu time spent up to now is 239.9 secs
Computing kpt #: 198
total cpu time spent up to now is 241.0 secs
Computing kpt #: 199
total cpu time spent up to now is 242.0 secs
Computing kpt #: 200
total cpu time spent up to now is 243.0 secs
Computing kpt #: 201
total cpu time spent up to now is 244.1 secs
Computing kpt #: 202
total cpu time spent up to now is 245.2 secs
Computing kpt #: 203
total cpu time spent up to now is 246.3 secs
Computing kpt #: 204
total cpu time spent up to now is 247.3 secs
Computing kpt #: 205
total cpu time spent up to now is 248.2 secs
Computing kpt #: 206
total cpu time spent up to now is 249.1 secs
Computing kpt #: 207
total cpu time spent up to now is 250.2 secs
Computing kpt #: 208
total cpu time spent up to now is 251.2 secs
Computing kpt #: 209
total cpu time spent up to now is 252.1 secs
Computing kpt #: 210
total cpu time spent up to now is 253.1 secs
Computing kpt #: 211
total cpu time spent up to now is 254.4 secs
Computing kpt #: 212
total cpu time spent up to now is 255.3 secs
Computing kpt #: 213
total cpu time spent up to now is 256.2 secs
Computing kpt #: 214
total cpu time spent up to now is 257.1 secs
Computing kpt #: 215
total cpu time spent up to now is 258.0 secs
Computing kpt #: 216
total cpu time spent up to now is 258.9 secs
Computing kpt #: 217
total cpu time spent up to now is 259.8 secs
Computing kpt #: 218
total cpu time spent up to now is 260.9 secs
Computing kpt #: 219
total cpu time spent up to now is 261.9 secs
Computing kpt #: 220
total cpu time spent up to now is 262.8 secs
Computing kpt #: 221
total cpu time spent up to now is 263.8 secs
Computing kpt #: 222
total cpu time spent up to now is 264.7 secs
Computing kpt #: 223
total cpu time spent up to now is 265.6 secs
Computing kpt #: 224
total cpu time spent up to now is 266.5 secs
Computing kpt #: 225
total cpu time spent up to now is 267.4 secs
Computing kpt #: 226
total cpu time spent up to now is 268.3 secs
Computing kpt #: 227
total cpu time spent up to now is 269.3 secs
Computing kpt #: 228
total cpu time spent up to now is 270.3 secs
Computing kpt #: 229
total cpu time spent up to now is 271.1 secs
Computing kpt #: 230
total cpu time spent up to now is 272.0 secs
Computing kpt #: 231
total cpu time spent up to now is 272.9 secs
Computing kpt #: 232
total cpu time spent up to now is 273.8 secs
Computing kpt #: 233
total cpu time spent up to now is 275.3 secs
Computing kpt #: 234
total cpu time spent up to now is 276.2 secs
Computing kpt #: 235
total cpu time spent up to now is 278.0 secs
Computing kpt #: 236
total cpu time spent up to now is 278.9 secs
Computing kpt #: 237
total cpu time spent up to now is 280.1 secs
Computing kpt #: 238
total cpu time spent up to now is 281.2 secs
Computing kpt #: 239
total cpu time spent up to now is 282.2 secs
Computing kpt #: 240
total cpu time spent up to now is 283.1 secs
Computing kpt #: 241
total cpu time spent up to now is 284.0 secs
Computing kpt #: 242
total cpu time spent up to now is 284.9 secs
Computing kpt #: 243
total cpu time spent up to now is 285.8 secs
Computing kpt #: 244
total cpu time spent up to now is 286.8 secs
Computing kpt #: 245
total cpu time spent up to now is 287.7 secs
Computing kpt #: 246
total cpu time spent up to now is 288.6 secs
Computing kpt #: 247
total cpu time spent up to now is 289.6 secs
Computing kpt #: 248
total cpu time spent up to now is 290.5 secs
Computing kpt #: 249
total cpu time spent up to now is 291.4 secs
Computing kpt #: 250
total cpu time spent up to now is 292.4 secs
Computing kpt #: 251
total cpu time spent up to now is 293.6 secs
Computing kpt #: 252
total cpu time spent up to now is 295.3 secs
Computing kpt #: 253
total cpu time spent up to now is 296.2 secs
Computing kpt #: 254
total cpu time spent up to now is 297.2 secs
Computing kpt #: 255
total cpu time spent up to now is 298.1 secs
Computing kpt #: 256
total cpu time spent up to now is 299.0 secs
Computing kpt #: 257
total cpu time spent up to now is 300.0 secs
Computing kpt #: 258
total cpu time spent up to now is 300.9 secs
Computing kpt #: 259
total cpu time spent up to now is 301.8 secs
Computing kpt #: 260
total cpu time spent up to now is 302.7 secs
Computing kpt #: 261
total cpu time spent up to now is 303.6 secs
Computing kpt #: 262
total cpu time spent up to now is 304.5 secs
Computing kpt #: 263
total cpu time spent up to now is 305.4 secs
Computing kpt #: 264
total cpu time spent up to now is 306.4 secs
Computing kpt #: 265
total cpu time spent up to now is 307.3 secs
Computing kpt #: 266
total cpu time spent up to now is 308.1 secs
Computing kpt #: 267
total cpu time spent up to now is 309.0 secs
Computing kpt #: 268
total cpu time spent up to now is 309.9 secs
Computing kpt #: 269
total cpu time spent up to now is 310.8 secs
Computing kpt #: 270
total cpu time spent up to now is 311.7 secs
Computing kpt #: 271
total cpu time spent up to now is 312.6 secs
Computing kpt #: 272
total cpu time spent up to now is 313.6 secs
Computing kpt #: 273
total cpu time spent up to now is 314.5 secs
Computing kpt #: 274
total cpu time spent up to now is 315.4 secs
Computing kpt #: 275
total cpu time spent up to now is 316.4 secs
Computing kpt #: 276
total cpu time spent up to now is 317.3 secs
Computing kpt #: 277
total cpu time spent up to now is 318.3 secs
Computing kpt #: 278
total cpu time spent up to now is 319.2 secs
Computing kpt #: 279
total cpu time spent up to now is 320.2 secs
Computing kpt #: 280
total cpu time spent up to now is 321.1 secs
Computing kpt #: 281
total cpu time spent up to now is 322.1 secs
Computing kpt #: 282
total cpu time spent up to now is 323.0 secs
Computing kpt #: 283
total cpu time spent up to now is 324.0 secs
Computing kpt #: 284
total cpu time spent up to now is 324.9 secs
Computing kpt #: 285
total cpu time spent up to now is 325.9 secs
Computing kpt #: 286
total cpu time spent up to now is 326.9 secs
Computing kpt #: 287
total cpu time spent up to now is 327.8 secs
Computing kpt #: 288
total cpu time spent up to now is 328.8 secs
Computing kpt #: 289
total cpu time spent up to now is 329.8 secs
Computing kpt #: 290
total cpu time spent up to now is 330.7 secs
Computing kpt #: 291
total cpu time spent up to now is 331.7 secs
Computing kpt #: 292
total cpu time spent up to now is 332.6 secs
Computing kpt #: 293
total cpu time spent up to now is 333.6 secs
Computing kpt #: 294
total cpu time spent up to now is 334.5 secs
Computing kpt #: 295
total cpu time spent up to now is 335.5 secs
Computing kpt #: 296
total cpu time spent up to now is 336.4 secs
Computing kpt #: 297
total cpu time spent up to now is 337.3 secs
Computing kpt #: 298
total cpu time spent up to now is 338.3 secs
Computing kpt #: 299
total cpu time spent up to now is 339.2 secs
Computing kpt #: 300
total cpu time spent up to now is 340.1 secs
Computing kpt #: 301
total cpu time spent up to now is 341.0 secs
Computing kpt #: 302
total cpu time spent up to now is 342.0 secs
Computing kpt #: 303
total cpu time spent up to now is 342.9 secs
Computing kpt #: 304
total cpu time spent up to now is 343.8 secs
Computing kpt #: 305
total cpu time spent up to now is 344.7 secs
Computing kpt #: 306
total cpu time spent up to now is 345.6 secs
Computing kpt #: 307
total cpu time spent up to now is 346.6 secs
Computing kpt #: 308
total cpu time spent up to now is 347.5 secs
Computing kpt #: 309
total cpu time spent up to now is 348.7 secs
Computing kpt #: 310
total cpu time spent up to now is 349.6 secs
Computing kpt #: 311
total cpu time spent up to now is 350.6 secs
Computing kpt #: 312
total cpu time spent up to now is 351.7 secs
Computing kpt #: 313
total cpu time spent up to now is 352.6 secs
Computing kpt #: 314
total cpu time spent up to now is 353.6 secs
Computing kpt #: 315
total cpu time spent up to now is 354.7 secs
Computing kpt #: 316
total cpu time spent up to now is 356.4 secs
Computing kpt #: 317
total cpu time spent up to now is 359.4 secs
Computing kpt #: 318
total cpu time spent up to now is 364.5 secs
Computing kpt #: 319
total cpu time spent up to now is 367.1 secs
Computing kpt #: 320
total cpu time spent up to now is 370.3 secs
Computing kpt #: 321
total cpu time spent up to now is 375.0 secs
Computing kpt #: 322
total cpu time spent up to now is 378.1 secs
Computing kpt #: 323
total cpu time spent up to now is 380.4 secs
Computing kpt #: 324
total cpu time spent up to now is 385.2 secs
Computing kpt #: 325
total cpu time spent up to now is 386.9 secs
Computing kpt #: 326
total cpu time spent up to now is 389.2 secs
Computing kpt #: 327
total cpu time spent up to now is 390.9 secs
Computing kpt #: 328
total cpu time spent up to now is 392.6 secs
Computing kpt #: 329
total cpu time spent up to now is 394.0 secs
Computing kpt #: 330
total cpu time spent up to now is 395.7 secs
Computing kpt #: 331
total cpu time spent up to now is 396.8 secs
Computing kpt #: 332
total cpu time spent up to now is 399.9 secs
Computing kpt #: 333
total cpu time spent up to now is 402.3 secs
Computing kpt #: 334
total cpu time spent up to now is 404.5 secs
Computing kpt #: 335
total cpu time spent up to now is 406.3 secs
Computing kpt #: 336
total cpu time spent up to now is 407.4 secs
Computing kpt #: 337
total cpu time spent up to now is 408.5 secs
Computing kpt #: 338
total cpu time spent up to now is 409.6 secs
Computing kpt #: 339
total cpu time spent up to now is 410.6 secs
Computing kpt #: 340
total cpu time spent up to now is 411.5 secs
Computing kpt #: 341
total cpu time spent up to now is 412.4 secs
Computing kpt #: 342
total cpu time spent up to now is 414.4 secs
Computing kpt #: 343
total cpu time spent up to now is 415.3 secs
Computing kpt #: 344
total cpu time spent up to now is 416.2 secs
Computing kpt #: 345
total cpu time spent up to now is 417.2 secs
Computing kpt #: 346
total cpu time spent up to now is 418.1 secs
Computing kpt #: 347
total cpu time spent up to now is 419.0 secs
Computing kpt #: 348
total cpu time spent up to now is 420.0 secs
Computing kpt #: 349
total cpu time spent up to now is 420.9 secs
Computing kpt #: 350
total cpu time spent up to now is 421.8 secs
Computing kpt #: 351
total cpu time spent up to now is 422.7 secs
Computing kpt #: 352
total cpu time spent up to now is 423.6 secs
Computing kpt #: 353
total cpu time spent up to now is 424.6 secs
Computing kpt #: 354
total cpu time spent up to now is 425.5 secs
Computing kpt #: 355
total cpu time spent up to now is 426.3 secs
Computing kpt #: 356
total cpu time spent up to now is 427.2 secs
Computing kpt #: 357
total cpu time spent up to now is 428.1 secs
Computing kpt #: 358
total cpu time spent up to now is 429.0 secs
Computing kpt #: 359
total cpu time spent up to now is 429.9 secs
ethr = 2.17E-11, avg # of iterations = 33.0
total cpu time spent up to now is 429.9 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev):
-5.5309 -5.5309 -4.6543 -4.6543 2.8835 2.8835 2.9028 2.9028
3.0420 3.0420 3.5884 3.5884 3.6120 3.6120 3.7006 3.7006
3.7870 3.7870 4.0202 4.0202 4.0322 4.0322 4.3772 4.3772
4.4265 4.4265 4.6084 4.6084 4.7895 4.7895 4.8947 4.8947
4.9989 4.9989 5.1387 5.1387 5.3109 5.3109 5.4133 5.4133
6.8360 6.8360 7.1418 7.1418 7.1518 7.1518 8.1881 8.1881
9.8665 9.8665 9.8792 9.8792 14.9001 14.9001 14.9747 14.9747
k = 0.0089-0.0089 0.0089 ( 4067 PWs) bands (ev):
-5.5304 -5.5303 -4.6544 -4.6543 2.8647 2.8774 2.9007 2.9258
3.0258 3.0593 3.5826 3.5917 3.6087 3.6134 3.6984 3.7029
3.7838 3.7906 4.0091 4.0188 4.0361 4.0395 4.3656 4.3859
4.4224 4.4311 4.6012 4.6155 4.7773 4.7997 4.8923 4.8967
4.9782 5.0149 5.1296 5.1545 5.3070 5.3205 5.4104 5.4171
6.8239 6.8444 7.1301 7.1408 7.1481 7.1580 8.1955 8.1999
9.8649 9.8744 9.8784 9.8875 14.8403 14.8980 14.9418 14.9690
k = 0.0179-0.0179 0.0179 ( 4079 PWs) bands (ev):
-5.5287 -5.5286 -4.6546 -4.6544 2.8375 2.8618 2.9069 2.9507
3.0113 3.0776 3.5741 3.5927 3.6032 3.6132 3.6970 3.7046
3.7806 3.7949 3.9949 4.0115 4.0421 4.0504 4.3517 4.3901
4.4209 4.4349 4.5938 4.6222 4.7641 4.8071 4.8895 4.8980
4.9578 5.0221 5.1280 5.1737 5.3102 5.3353 5.4083 5.4225
6.8082 6.8486 7.1079 7.1295 7.1461 7.1646 8.2215 8.2297
9.8698 9.8834 9.8901 9.9029 14.7601 14.8219 14.9332 14.9543
k = 0.0268-0.0268 0.0268 ( 4076 PWs) bands (ev):
-5.5258 -5.5257 -4.6550 -4.6546 2.8084 2.8434 2.9111 2.9712
3.0020 3.0965 3.5634 3.5909 3.5959 3.6122 3.6957 3.7055
3.7774 3.8003 3.9797 4.0039 4.0468 4.0609 4.3361 4.3895
4.4231 4.4375 4.5865 4.6285 4.7505 4.8110 4.8861 4.8985
4.9417 5.0214 5.1313 5.1926 5.3222 5.3535 5.4074 5.4314
6.7882 6.8468 7.0779 7.1145 7.1421 7.1729 8.2641 8.2752
9.8813 9.8966 9.9110 9.9253 14.6665 14.7292 14.9067 14.9328
k = 0.0357-0.0357 0.0357 ( 4064 PWs) bands (ev):
-5.5219 -5.5217 -4.6554 -4.6549 2.7784 2.8225 2.9130 2.9725
3.0120 3.1158 3.5506 3.5813 3.5918 3.6111 3.6934 3.7059
3.7737 3.8068 3.9639 3.9966 4.0497 4.0704 4.3193 4.3861
4.4267 4.4394 4.5794 4.6339 4.7374 4.8110 4.8814 4.8984
4.9318 5.0167 5.1351 5.2071 5.3436 5.3713 5.4098 5.4472
6.7631 6.8365 7.0448 7.0980 7.1387 7.1824 8.3208 8.3338
9.8995 9.9166 9.9384 9.9543 14.5623 14.6253 14.8612 14.8971
k = 0.0446-0.0446 0.0446 ( 4064 PWs) bands (ev):
-5.5168 -5.5166 -4.6559 -4.6554 2.7475 2.7992 2.9129 2.9614
3.0342 3.1352 3.5362 3.5666 3.5888 3.6099 3.6888 3.7058
3.7695 3.8142 3.9477 3.9900 4.0502 4.0788 4.3018 4.3820
4.4282 4.4418 4.5727 4.6381 4.7255 4.8077 4.8753 4.8984
4.9274 5.0112 5.1371 5.2159 5.3675 5.3828 5.4227 5.4735
6.7317 6.8150 7.0131 7.0841 7.1362 7.1929 8.3886 8.4026
9.9242 9.9435 9.9718 9.9897 14.4498 14.5128 14.7946 14.8412
k = 0.0536-0.0536 0.0536 ( 4055 PWs) bands (ev):
-5.5106 -5.5104 -4.6566 -4.6559 2.7160 2.7740 2.9107 2.9483
3.0579 3.1545 3.5203 3.5493 3.5855 3.6084 3.6820 3.7049
3.7648 3.8223 3.9315 3.9843 4.0482 4.0859 4.2846 4.3783
4.4260 4.4457 4.5668 4.6406 4.7155 4.8025 4.8687 4.8989
4.9258 5.0066 5.1374 5.2202 5.3821 5.3871 5.4548 5.5102
6.6936 6.7815 6.9862 7.0760 7.1344 7.2044 8.4653 8.4797
9.9553 9.9770 10.0112 10.0312 14.3313 14.3938 14.7071 14.7623
k = 0.0625-0.0625 0.0625 ( 4061 PWs) bands (ev):
-5.5034 -5.5031 -4.6573 -4.6565 2.6839 2.7470 2.9067 2.9345
3.0813 3.1736 3.5030 3.5300 3.5817 3.6064 3.6734 3.7022
3.7600 3.8306 3.9154 3.9797 4.0435 4.0915 4.2685 4.3752
4.4213 4.4498 4.5617 4.6409 4.7077 4.7966 4.8622 4.8997
4.9249 5.0032 5.1367 5.2220 5.3850 5.3912 5.4998 5.5547
6.6494 6.7379 6.9649 7.0742 7.1334 7.2168 8.5488 8.5633
9.9927 10.0170 10.0562 10.0784 14.2087 14.2705 14.6029 14.6636
k = 0.0714-0.0714 0.0714 ( 4064 PWs) bands (ev):
-5.4951 -5.4947 -4.6580 -4.6572 2.6511 2.7185 2.9008 2.9202
3.1042 3.1922 3.4843 3.5093 3.5774 3.6037 3.6636 3.6975
3.7552 3.8389 3.8998 3.9761 4.0361 4.0958 4.2542 4.3728
4.4150 4.4535 4.5576 4.6387 4.7023 4.7908 4.8561 4.9006
4.9239 5.0007 5.1360 5.2224 5.3842 5.3944 5.5498 5.6045
6.6005 6.6879 6.9486 7.0775 7.1330 7.2301 8.6376 8.6520
10.0360 10.0633 10.1066 10.1309 14.0837 14.1447 14.4875 14.5511
k = 0.0804-0.0804 0.0804 ( 4070 PWs) bands (ev):
-5.4858 -5.4854 -4.6589 -4.6580 2.6178 2.6888 2.8930 2.9055
3.1264 3.2101 3.4642 3.4876 3.5726 3.6002 3.6529 3.6909
3.7505 3.8464 3.8854 3.9734 4.0265 4.0987 4.2418 4.3707
4.4079 4.4566 4.5542 4.6346 4.6988 4.7855 4.8504 4.9014
4.9223 4.9985 5.1358 5.2221 5.3827 5.3962 5.6012 5.6580
6.5487 6.6348 6.9363 7.0841 7.1334 7.2442 8.7307 8.7450
10.0851 10.1156 10.1621 10.1884 13.9578 14.0180 14.3659 14.4308
k = 0.0893-0.0893 0.0893 ( 4067 PWs) bands (ev):
-5.4755 -5.4750 -4.6598 -4.6588 2.5839 2.6579 2.8828 2.8908
3.1478 3.2270 3.4428 3.4654 3.5671 3.5959 3.6421 3.6828
3.7460 3.8509 3.8745 3.9712 4.0156 4.1002 4.2313 4.3689
4.4007 4.4593 4.5515 4.6291 4.6964 4.7807 4.8452 4.9020
4.9204 4.9959 5.1367 5.2217 5.3813 5.3971 5.6522 5.7137
6.4958 6.5815 6.9269 7.0920 7.1353 7.2591 8.8271 8.8413
10.1397 10.1737 10.2223 10.2505 13.8324 13.8916 14.2415 14.3069
k = 0.0982-0.0982 0.0982 ( 4073 PWs) bands (ev):
-5.4642 -5.4637 -4.6607 -4.6596 2.5497 2.6261 2.8692 2.8770
3.1681 3.2427 3.4202 3.4428 3.5606 3.5909 3.6316 3.6737
3.7414 3.8470 3.8725 3.9687 4.0047 4.1006 4.2225 4.3670
4.3938 4.4615 4.5492 4.6230 4.6944 4.7759 4.8404 4.9019
4.9184 4.9926 5.1387 5.2216 5.3800 5.3976 5.7016 5.7699
6.4437 6.5307 6.9198 7.0991 7.1396 7.2745 8.9261 8.9405
10.1994 10.2372 10.2869 10.3166 13.7086 13.7666 14.1171 14.1821
k = 0.1071-0.1071 0.1071 ( 4076 PWs) bands (ev):
-5.4521 -5.4515 -4.6616 -4.6605 2.5150 2.5934 2.8527 2.8636
3.1870 3.2567 3.3966 3.4205 3.5529 3.5855 3.6217 3.6643
3.7367 3.8372 3.8772 3.9641 3.9958 4.0999 4.2150 4.3645
4.3879 4.4636 4.5470 4.6166 4.6922 4.7712 4.8361 4.9008
4.9168 4.9884 5.1417 5.2219 5.3789 5.3978 5.7479 5.8244
6.3940 6.4848 6.9144 7.1034 7.1475 7.2905 9.0271 9.0419
10.2639 10.3057 10.3556 10.3866 13.5871 13.6439 13.9942 14.0582
k = 0.1161-0.1161 0.1161 ( 4085 PWs) bands (ev):
-5.4391 -5.4385 -4.6625 -4.6614 2.4800 2.5600 2.8345 2.8492
3.2041 3.2684 3.3727 3.3991 3.5439 3.5801 3.6124 3.6551
3.7319 3.8268 3.8830 3.9561 3.9907 4.0983 4.2084 4.3609
4.3834 4.4655 4.5449 4.6103 4.6898 4.7661 4.8320 4.8983
4.9160 4.9836 5.1452 5.2231 5.3779 5.3980 5.7896 5.8745
6.3485 6.4470 6.9102 7.1045 7.1590 7.3070 9.1298 9.1451
10.3328 10.3790 10.4281 10.4598 13.4689 13.5241 13.8742 13.9365
k = 0.1250-0.1250 0.1250 ( 4085 PWs) bands (ev):
-5.4253 -5.4246 -4.6634 -4.6622 2.4448 2.5260 2.8152 2.8334
3.2184 3.2769 3.3494 3.3797 3.5337 3.5750 3.6037 3.6465
3.7269 3.8175 3.8886 3.9454 3.9890 4.0960 4.2027 4.3562
4.3806 4.4672 4.5428 4.6042 4.6870 4.7609 4.8278 4.8944
4.9161 4.9786 5.1488 5.2251 5.3772 5.3981 5.8243 5.9170
6.3094 6.4211 6.9070 7.1030 7.1727 7.3239 9.2336 9.2498
10.4057 10.4565 10.5041 10.5360 13.3544 13.4079 13.7580 13.8177
k = 0.1339-0.1339 0.1339 ( 4097 PWs) bands (ev):
-5.4107 -5.4099 -4.6643 -4.6631 2.4094 2.4916 2.7948 2.8160
3.2278 3.2806 3.3285 3.3645 3.5228 3.5700 3.5954 3.6389
3.7219 3.8094 3.8933 3.9337 3.9891 4.0931 4.1977 4.3506
4.3791 4.4686 4.5409 4.5982 4.6838 4.7553 4.8233 4.8891
4.9170 4.9735 5.1522 5.2278 5.3767 5.3984 5.8491 5.9476
6.2796 6.4109 6.9044 7.0997 7.1875 7.3413 9.3381 9.3555
10.4822 10.5377 10.5834 10.6148 13.2441 13.2955 13.6461 13.7020
k = 0.1429-0.1429 0.1429 ( 4103 PWs) bands (ev):
-5.3954 -5.3946 -4.6651 -4.6639 2.3739 2.4568 2.7734 2.7970
3.2290 3.2769 3.3141 3.3556 3.5117 3.5647 3.5878 3.6320
3.7169 3.8027 3.8961 3.9230 3.9902 4.0898 4.1936 4.3446
4.3785 4.4694 4.5395 4.5926 4.6803 4.7496 4.8183 4.8828
4.9184 4.9687 5.1552 5.2312 5.3763 5.3988 5.8615 5.9628
6.2627 6.4186 6.9025 7.0949 7.2029 7.3590 9.4429 9.4620
10.5619 10.6220 10.6656 10.6959 13.1384 13.1873 13.5389 13.5896
k = 0.1518-0.1518 0.1518 ( 4097 PWs) bands (ev):
-5.3795 -5.3786 -4.6659 -4.6646 2.3385 2.4219 2.7509 2.7764
3.2201 3.2630 3.3118 3.3527 3.5008 3.5585 3.5812 3.6259
3.7123 3.7972 3.8945 3.9163 3.9918 4.0863 4.1905 4.3385
4.3787 4.4695 4.5389 4.5871 4.6767 4.7437 4.8125 4.8757
4.9198 4.9646 5.1578 5.2348 5.3760 5.3995 5.8610 5.9615
6.2608 6.4429 6.9011 7.0888 7.2182 7.3772 9.5475 9.5688
10.6442 10.7086 10.7505 10.7791 13.0374 13.0833 13.4364 13.4797
k = 0.1607-0.1607 0.1607 ( 4079 PWs) bands (ev):
-5.3630 -5.3620 -4.6666 -4.6652 2.3032 2.3869 2.7275 2.7544
3.2037 3.2434 3.3174 3.3533 3.4906 3.5508 3.5758 3.6202
3.7084 3.7928 3.8871 3.9156 3.9937 4.0828 4.1885 4.3326
4.3795 4.4686 4.5393 4.5819 4.6730 4.7377 4.8060 4.8682
4.9207 4.9614 5.1599 5.2384 5.3758 5.4002 5.8496 5.9464
6.2722 6.4796 6.9002 7.0817 7.2333 7.3961 9.6513 9.6757
10.7285 10.7965 10.8376 10.8647 12.9407 12.9833 13.3377 13.3711
k = 0.1696-0.1696 0.1696 ( 4073 PWs) bands (ev):
-5.3459 -5.3449 -4.6671 -4.6658 2.2681 2.3519 2.7032 2.7309
3.1834 3.2220 3.3255 3.3553 3.4809 3.5416 3.5712 3.6145
3.7056 3.7892 3.8773 3.9175 3.9957 4.0797 4.1876 4.3269
4.3807 4.4667 4.5407 4.5769 4.6693 4.7314 4.7989 4.8603
4.9203 4.9597 5.1617 5.2415 5.3756 5.4009 5.8305 5.9223
6.2924 6.5235 6.9000 7.0737 7.2478 7.4157 9.7539 9.7823
10.8142 10.8848 10.9262 10.9529 12.8476 12.8864 13.2390 13.2630
k = 0.1786-0.1786 0.1786 ( 4091 PWs) bands (ev):
-5.3284 -5.3273 -4.6676 -4.6663 2.2334 2.3172 2.6780 2.7061
3.1617 3.2005 3.3333 3.3578 3.4721 3.5312 3.5670 3.6086
3.7042 3.7862 3.8673 3.9201 3.9979 4.0772 4.1880 4.3215
4.3822 4.4638 4.5429 4.5721 4.6655 4.7248 4.7914 4.8522
4.9182 4.9596 5.1631 5.2438 5.3754 5.4015 5.8068 5.8934
6.3166 6.5697 6.9007 7.0651 7.2618 7.4361 9.8547 9.8881
10.9004 10.9723 11.0153 11.0443 12.7567 12.7915 13.1316 13.1582
k = 0.1875-0.1875 0.1875 ( 4085 PWs) bands (ev):
-5.3106 -5.3094 -4.6679 -4.6666 2.1992 2.2828 2.6521 2.6803
3.1395 3.1793 3.3392 3.3609 3.4641 3.5199 3.5630 3.6023
3.7043 3.7835 3.8583 3.9229 4.0001 4.0758 4.1897 4.3167
4.3841 4.4603 4.5460 4.5678 4.6619 4.7179 4.7839 4.8441
4.9144 4.9611 5.1644 5.2452 5.3752 5.4019 5.7810 5.8626
6.3414 6.6142 6.9028 7.0563 7.2752 7.4576 9.9531 9.9927
10.9863 11.0577 11.1046 11.1387 12.6652 12.6964 13.0188 13.0552
k = 0.1964-0.1964 0.1964 ( 4091 PWs) bands (ev):
-5.2924 -5.2911 -4.6681 -4.6668 2.1656 2.2488 2.6255 2.6534
3.1174 3.1589 3.3418 3.3649 3.4570 3.5079 3.5590 3.5958
3.7059 3.7811 3.8507 3.9258 4.0025 4.0754 4.1928 4.3123
4.3862 4.4564 4.5493 4.5639 4.6583 4.7105 4.7767 4.8360
4.9094 4.9636 5.1653 5.2454 5.3750 5.4019 5.7543 5.8314
6.3643 6.6529 6.9068 7.0478 7.2886 7.4801 10.0487 10.0953
11.0708 11.1399 11.1943 11.2351 12.5700 12.5993 12.9151 12.9559
k = 0.2054-0.2054 0.2054 ( 4091 PWs) bands (ev):
-5.2739 -5.2725 -4.6681 -4.6668 2.1327 2.2156 2.5985 2.6258
3.0954 3.1391 3.3409 3.3692 3.4507 3.4960 3.5548 3.5895
3.7087 3.7788 3.8447 3.9287 4.0050 4.0762 4.1973 4.3084
4.3887 4.4524 4.5523 4.5612 4.6549 4.7025 4.7701 4.8279
4.9035 4.9665 5.1660 5.2444 5.3746 5.4014 5.7279 5.8007
6.3840 6.6823 6.9130 7.0404 7.3023 7.5035 10.1408 10.1953
11.1528 11.2177 11.2844 11.3318 12.4690 12.4996 12.8306 12.8691
k = 0.2143-0.2143 0.2143 ( 4091 PWs) bands (ev):
-5.2553 -5.2538 -4.6679 -4.6666 2.1008 2.1831 2.5712 2.5976
3.0737 3.1200 3.3372 3.3720 3.4451 3.4856 3.5503 3.5839
3.7124 3.7767 3.8405 3.9318 4.0078 4.0781 4.2032 4.3051
4.3912 4.4484 4.5533 4.5611 4.6516 4.6940 4.7642 4.8200
4.8972 4.9695 5.1663 5.2422 5.3740 5.4004 5.7021 5.7710
6.3994 6.7003 6.9205 7.0347 7.3171 7.5276 10.2287 10.2919
11.2310 11.2901 11.3743 11.4273 12.3644 12.3997 12.7686 12.8001
k = 0.2232-0.2232 0.2232 ( 4094 PWs) bands (ev):
-5.2366 -5.2350 -4.6676 -4.6663 2.0698 2.1515 2.5436 2.5690
3.0521 3.1013 3.3310 3.3716 3.4401 3.4784 3.5455 3.5798
3.7168 3.7751 3.8381 3.9349 4.0109 4.0809 4.2104 4.3022
4.3938 4.4447 4.5521 4.5639 4.6483 4.6852 4.7591 4.8123
4.8906 4.9722 5.1663 5.2388 5.3731 5.3987 5.6771 5.7426
6.4101 6.7064 6.9271 7.0310 7.3338 7.5519 10.3117 10.3841
11.3042 11.3561 11.4626 11.5191 12.2624 12.3038 12.7276 12.7502
k = 0.2321-0.2321 0.2321 ( 4094 PWs) bands (ev):
-5.2178 -5.2162 -4.6671 -4.6658 2.0400 2.1211 2.5159 2.5402
3.0302 3.0828 3.3228 3.3666 3.4366 3.4755 3.5405 3.5774
3.7215 3.7742 3.8373 3.9381 4.0145 4.0843 4.2191 4.2997
4.3963 4.4414 4.5507 4.5675 4.6448 4.6766 4.7546 4.8050
4.8839 4.9746 5.1658 5.2342 5.3719 5.3962 5.6530 5.7154
6.4161 6.7021 6.9303 7.0288 7.3527 7.5756 10.3892 10.4706
11.3712 11.4146 11.5469 11.6040 12.1704 12.2180 12.7040 12.7202
k = 0.2411-0.2411 0.2411 ( 4100 PWs) bands (ev):
-5.1991 -5.1974 -4.6664 -4.6651 2.0115 2.0918 2.4882 2.5112
3.0078 3.0640 3.3129 3.3568 3.4355 3.4766 3.5358 3.5769
3.7264 3.7741 3.8377 3.9413 4.0185 4.0882 4.2289 4.2977
4.3983 4.4387 4.5498 4.5712 4.6406 4.6685 4.7507 4.7983
4.8773 4.9764 5.1647 5.2285 5.3701 5.3928 5.6297 5.6895
6.4175 6.6894 6.9289 7.0259 7.3735 7.5979 10.4605 10.5502
11.4306 11.4643 11.6240 11.6772 12.0967 12.1497 12.6922 12.7130
k = 0.2500-0.2500 0.2500 ( 4094 PWs) bands (ev):
-5.1805 -5.1787 -4.6654 -4.6642 1.9844 2.0640 2.4607 2.4824
2.9846 3.0444 3.3021 3.3439 3.4367 3.4809 3.5320 3.5780
3.7313 3.7751 3.8393 3.9445 4.0229 4.0924 4.2397 4.2961
4.3999 4.4368 4.5497 4.5751 4.6354 4.6618 4.7472 4.7924
4.8708 4.9777 5.1630 5.2218 5.3678 5.3886 5.6070 5.6648
6.4147 6.6703 6.9234 7.0203 7.3951 7.6177 10.5250 10.6213
11.4803 11.5050 11.6886 11.7312 12.0511 12.1077 12.6921 12.7263
k = 0.2589-0.2589 0.2589 ( 4109 PWs) bands (ev):
-5.1620 -5.1602 -4.6643 -4.6631 1.9588 2.0375 2.4335 2.4537
2.9601 3.0234 3.2913 3.3300 3.4395 3.4875 3.5293 3.5805
3.7361 3.7773 3.8415 3.9477 4.0275 4.0967 4.2512 4.2950
4.4007 4.4356 4.5502 4.5792 4.6287 4.6567 4.7439 4.7874
4.8645 4.9782 5.1605 5.2142 5.3647 5.3833 5.5846 5.6412
6.4082 6.6462 6.9144 7.0105 7.4157 7.6337 10.5823 10.6829
11.5144 11.5407 11.7333 11.7636 12.0414 12.0993 12.7057 12.7559
k = 0.2679-0.2679 0.2679 ( 4104 PWs) bands (ev):
-5.1439 -5.1419 -4.6630 -4.6618 1.9348 2.0128 2.4066 2.4254
2.9340 3.0005 3.2814 3.3168 3.4436 3.4959 3.5282 3.5844
3.7411 3.7806 3.8444 3.9508 4.0323 4.1012 4.2630 4.2946
4.4009 4.4352 4.5512 4.5838 4.6209 4.6531 4.7409 4.7836
4.8583 4.9780 5.1572 5.2059 5.3608 5.3772 5.5624 5.6186
6.3984 6.6184 6.9026 6.9961 7.4334 7.6448 10.6326 10.7343
11.5296 11.5751 11.7510 11.7893 12.0638 12.1224 12.7330 12.7983
k = 0.2768-0.2768 0.2768 ( 4104 PWs) bands (ev):
-5.1260 -5.1240 -4.6616 -4.6603 1.9126 1.9897 2.3802 2.3974
2.9060 2.9754 3.2732 3.3056 3.4487 3.5055 3.5287 3.5894
3.7461 3.7850 3.8477 3.9539 4.0373 4.1057 4.2740 4.2954
4.4008 4.4352 4.5525 4.5892 4.6129 4.6504 4.7381 4.7810
4.8524 4.9772 5.1529 5.1969 5.3560 5.3700 5.5401 5.5968
6.3860 6.5878 6.8883 6.9772 7.4460 7.6497 10.6767 10.7760
11.5336 11.6043 11.7575 11.8161 12.1053 12.1648 12.7729 12.8484
k = 0.2857-0.2857 0.2857 ( 4098 PWs) bands (ev):
-5.1084 -5.1064 -4.6599 -4.6586 1.8922 1.9684 2.3544 2.3701
2.8760 2.9476 3.2674 3.2971 3.4546 3.5159 3.5309 3.5955
3.7514 3.7905 3.8512 3.9569 4.0424 4.1104 4.2822 4.2992
4.4005 4.4354 4.5535 4.5947 4.6059 4.6482 4.7356 4.7795
4.8466 4.9755 5.1476 5.1874 5.3500 5.3618 5.5176 5.5755
6.3714 6.5553 6.8718 6.9544 7.4520 7.6475 10.7162 10.8100
11.5335 11.6257 11.7705 11.8437 12.1555 12.2159 12.8237 12.9008
k = 0.2946-0.2946 0.2946 ( 4104 PWs) bands (ev):
-5.0913 -5.0892 -4.6581 -4.6568 1.8737 1.9490 2.3292 2.3433
2.8440 2.9173 3.2644 3.2918 3.4612 3.5262 3.5354 3.6026
3.7570 3.7969 3.8549 3.9598 4.0476 4.1150 4.2860 4.3070
4.4005 4.4358 4.5540 4.5942 4.6065 4.6465 4.7335 4.7789
4.8412 4.9731 5.1411 5.1775 5.3426 5.3527 5.4947 5.5544
6.3552 6.5218 6.8531 6.9282 7.4502 7.6374 10.7533 10.8394
11.5340 11.6393 11.7948 11.8730 12.2093 12.2709 12.8828 12.9538
k = 0.3036-0.3036 0.3036 ( 4104 PWs) bands (ev):
-5.0746 -5.0725 -4.6561 -4.6548 1.8572 1.9316 2.3048 2.3172
2.8100 2.8846 3.2644 3.2901 3.4685 3.5346 3.5438 3.6105
3.7629 3.8043 3.8587 3.9628 4.0529 4.1196 4.2876 4.3163
4.4007 4.4362 4.5535 4.5889 4.6136 4.6458 4.7319 4.7792
4.8359 4.9699 5.1334 5.1673 5.3335 5.3428 5.4715 5.5334
6.3377 6.4879 6.8326 6.8991 7.4397 7.6188 10.7904 10.8678
11.5372 11.6475 11.8278 11.9038 12.2653 12.3283 12.9469 13.0102
k = 0.3125-0.3125 0.3125 ( 4092 PWs) bands (ev):
-5.0585 -5.0564 -4.6540 -4.6527 1.8427 1.9162 2.2811 2.2919
2.7745 2.8499 3.2673 3.2921 3.4765 3.5417 3.5554 3.6194
3.7692 3.8125 3.8627 3.9659 4.0583 4.1244 4.2885 4.3253
4.4014 4.4368 4.5515 4.5848 4.6200 4.6475 4.7308 4.7801
4.8310 4.9659 5.1245 5.1569 5.3226 5.3319 5.4481 5.5120
6.3195 6.4544 6.8105 6.8677 7.4202 7.5916 10.8301 10.8985
11.5432 11.6530 11.8650 11.9360 12.3238 12.3883 13.0125 13.0724
k = 0.3214-0.3214 0.3214 ( 4098 PWs) bands (ev):
-5.0429 -5.0408 -4.6517 -4.6505 1.8303 1.9028 2.2583 2.2674
2.7374 2.8134 3.2730 3.2978 3.4849 3.5490 3.5681 3.6289
3.7758 3.8214 3.8668 3.9691 4.0638 4.1291 4.2893 4.3331
4.4024 4.4376 4.5476 4.5829 4.6232 4.6533 4.7302 4.7813
4.8265 4.9612 5.1145 5.1462 5.3097 5.3199 5.4245 5.4900
6.3008 6.4220 6.7869 6.8345 7.3919 7.5561 10.8741 10.9341
11.5515 11.6574 11.9029 11.9691 12.3857 12.4517 13.0777 13.1405
k = 0.3304-0.3304 0.3304 ( 4101 PWs) bands (ev):
-5.0279 -5.0258 -4.6494 -4.6483 1.8200 1.8915 2.2363 2.2437
2.6993 2.7756 3.2812 3.3069 3.4939 3.5571 3.5813 3.6390
3.7828 3.8310 3.8711 3.9725 4.0695 4.1340 4.2901 4.3396
4.4034 4.4387 4.5423 4.5832 4.6235 4.6624 4.7301 4.7828
4.8224 4.9556 5.1035 5.1352 5.2949 5.3064 5.4010 5.4672
6.2819 6.3914 6.7622 6.8000 7.3552 7.5129 10.9239 10.9763
11.5616 11.6615 11.9393 12.0026 12.4514 12.5191 13.1424 13.2121
k = 0.3393-0.3393 0.3393 ( 4101 PWs) bands (ev):
-5.0135 -5.0115 -4.6471 -4.6459 1.8119 1.8824 2.2153 2.2210
2.6604 2.7369 3.2919 3.3194 3.5032 3.5662 3.5947 3.6496
3.7901 3.8411 3.8757 3.9765 4.0756 4.1390 4.2909 4.3450
4.4043 4.4401 4.5360 4.5850 4.6227 4.6725 4.7304 4.7844
4.8190 4.9494 5.0916 5.1238 5.2784 5.2909 5.3778 5.4433
6.2632 6.3633 6.7364 6.7646 7.3110 7.4628 10.9799 11.0258
11.5728 11.6659 11.9732 12.0357 12.5211 12.5910 13.2070 13.2847
k = 0.3482-0.3482 0.3482 ( 4092 PWs) bands (ev):
-4.9998 -4.9978 -4.6446 -4.6436 1.8059 1.8753 2.1952 2.1994
2.6209 2.6975 3.3049 3.3349 3.5130 3.5760 3.6082 3.6605
3.7979 3.8516 3.8808 3.9810 4.0822 4.1442 4.2917 4.3495
4.4049 4.4417 4.5294 4.5876 4.6219 4.6819 4.7316 4.7860
4.8164 4.9424 5.0790 5.1120 5.2602 5.2732 5.3552 5.4182
6.2450 6.3382 6.7100 6.7289 7.2603 7.4068 11.0421 11.0828
11.5851 11.6708 12.0048 12.0676 12.5945 12.6674 13.2717 13.3565
k = 0.3571-0.3571 0.3571 ( 4083 PWs) bands (ev):
-4.9867 -4.9848 -4.6422 -4.6412 1.8020 1.8704 2.1760 2.1790
2.5811 2.6578 3.3200 3.3530 3.5229 3.5864 3.6216 3.6715
3.8060 3.8622 3.8868 3.9862 4.0892 4.1498 4.2925 4.3535
4.4051 4.4434 4.5225 4.5900 4.6220 4.6892 4.7336 4.7872
4.8149 4.9349 5.0659 5.0995 5.2404 5.2534 5.3335 5.3919
6.2277 6.3164 6.6828 6.6936 7.2043 7.3462 11.1096 11.1466
11.5983 11.6767 12.0344 12.0978 12.6708 12.7483 13.3365 13.4264
k = 0.3661-0.3661 0.3661 ( 4089 PWs) bands (ev):
-4.9743 -4.9725 -4.6398 -4.6388 1.8003 1.8676 2.1572 2.1602
2.5412 2.6180 3.3369 3.3735 3.5330 3.5973 3.6347 3.6823
3.8145 3.8723 3.8939 3.9922 4.0969 4.1557 4.2931 4.3573
4.4049 4.4448 4.5157 4.5918 4.6232 4.6935 4.7365 4.7878
4.8150 4.9270 5.0522 5.0866 5.2189 5.2316 5.3125 5.3643
6.2117 6.2981 6.6534 6.6607 7.1442 7.2819 11.1812 11.2160
11.6129 11.6842 12.0621 12.1262 12.7494 12.8330 13.4012 13.4942
k = 0.3750-0.3750 0.3750 ( 4095 PWs) bands (ev):
-4.9627 -4.9609 -4.6375 -4.6365 1.8007 1.8668 2.1390 2.1431
2.5014 2.5782 3.3555 3.3959 3.5433 3.6086 3.6476 3.6928
3.8235 3.8815 3.9030 3.9992 4.1052 4.1622 4.2936 4.3610
4.4043 4.4462 4.5089 4.5926 4.6253 4.6945 4.7398 4.7875
4.8168 4.9189 5.0378 5.0732 5.1961 5.2082 5.2923 5.3356
6.1976 6.2832 6.6204 6.6323 7.0813 7.2154 11.2548 11.2893
11.6296 11.6943 12.0884 12.1527 12.8296 12.9208 13.4654 13.5597
k = 0.3839-0.3839 0.3839 ( 4104 PWs) bands (ev):
-4.9517 -4.9501 -4.6352 -4.6343 1.8033 1.8680 2.1215 2.1276
2.4619 2.5388 3.3754 3.4198 3.5537 3.6200 3.6600 3.7027
3.8329 3.8895 3.9144 4.0073 4.1143 4.1695 4.2941 4.3649
4.4033 4.4474 4.5023 4.5924 4.6277 4.6927 4.7427 4.7860
4.8203 4.9109 5.0225 5.0596 5.1722 5.1838 5.2725 5.3061
6.1858 6.2717 6.5870 6.6058 7.0168 7.1475 11.3276 11.3636
11.6501 11.7085 12.1133 12.1775 12.9108 13.0111 13.5290 13.6228
k = 0.3929-0.3929 0.3929 ( 4110 PWs) bands (ev):
-4.9415 -4.9400 -4.6330 -4.6322 1.8078 1.8712 2.1050 2.1135
2.4228 2.4999 3.3963 3.4448 3.5641 3.6314 3.6718 3.7118
3.8427 3.8966 3.9278 4.0166 4.1241 4.1776 4.2944 4.3689
4.4021 4.4487 4.4959 4.5915 4.6298 4.6887 4.7447 4.7832
4.8246 4.9034 5.0061 5.0460 5.1478 5.1589 5.2527 5.2765
6.1769 6.2634 6.5547 6.5803 6.9516 7.0795 11.3960 11.4346
11.6769 11.7298 12.1368 12.2007 12.9927 13.1030 13.5914 13.6839
k = 0.4018-0.4018 0.4018 ( 4113 PWs) bands (ev):
-4.9321 -4.9306 -4.6310 -4.6302 1.8144 1.8762 2.0895 2.1007
2.3844 2.4616 3.4179 3.4701 3.5749 3.6426 3.6830 3.7199
3.8530 3.9032 3.9429 4.0273 4.1345 4.1867 4.2948 4.3730
4.4007 4.4500 4.4899 4.5899 4.6308 4.6830 4.7456 4.7792
4.8288 4.8966 4.9884 5.0328 5.1237 5.1341 5.2316 5.2486
6.1711 6.2581 6.5241 6.5560 6.8867 7.0121 11.4553 11.4962
11.7139 11.7621 12.1592 12.2224 13.0750 13.1958 13.6524 13.7428
k = 0.4107-0.4107 0.4107 ( 4113 PWs) bands (ev):
-4.9234 -4.9221 -4.6291 -4.6284 1.8230 1.8830 2.0752 2.0894
2.3466 2.4241 3.4398 3.4951 3.5862 3.6534 3.6935 3.7269
3.8637 3.9095 3.9596 4.0394 4.1453 4.1967 4.2953 4.3765
4.3998 4.4514 4.4844 4.5873 4.6304 4.6756 4.7452 4.7741
4.8315 4.8905 4.9699 5.0198 5.1004 5.1101 5.2068 5.2255
6.1687 6.2558 6.4953 6.5330 6.8230 6.9461 11.5017 11.5427
11.7639 11.8087 12.1805 12.2429 13.1574 13.2888 13.7114 13.7998
k = 0.4196-0.4196 0.4196 ( 4113 PWs) bands (ev):
-4.9155 -4.9143 -4.6273 -4.6267 1.8335 1.8914 2.0620 2.0797
2.3097 2.3875 3.4615 3.5184 3.5984 3.6636 3.7030 3.7327
3.8748 3.9155 3.9777 4.0534 4.1564 4.2073 4.2959 4.3784
4.4003 4.4529 4.4800 4.5834 4.6286 4.6669 4.7432 4.7683
4.8314 4.8843 4.9518 5.0068 5.0788 5.0876 5.1795 5.2067
6.1698 6.2561 6.4687 6.5116 6.7611 6.8823 11.5352 11.5737
11.8251 11.8687 12.2007 12.2622 13.2398 13.3818 13.7678 13.8547
k = 0.4286-0.4286 0.4286 ( 4119 PWs) bands (ev):
-4.9084 -4.9073 -4.6257 -4.6252 1.8457 1.9012 2.0498 2.0715
2.2738 2.3518 3.4825 3.5391 3.6121 3.6733 3.7114 3.7372
3.8859 3.9212 3.9970 4.0693 4.1677 4.2180 4.2968 4.3772
4.4035 4.4541 4.4771 4.5779 4.6253 4.6572 4.7392 4.7619
4.8275 4.8762 4.9370 4.9937 5.0596 5.0673 5.1531 5.1898
6.1743 6.2591 6.4445 6.4921 6.7015 6.8212 11.5586 11.5932
11.8923 11.9366 12.2201 12.2806 13.3222 13.4743 13.8209 13.9073
k = 0.4375-0.4375 0.4375 ( 4113 PWs) bands (ev):
-4.9020 -4.9011 -4.6243 -4.6238 1.8598 1.9122 2.0388 2.0653
2.2390 2.3173 3.5025 3.5559 3.6276 3.6824 3.7186 3.7406
3.8969 3.9265 4.0175 4.0875 4.1791 4.2282 4.2979 4.3732
4.4090 4.4550 4.4768 4.5706 4.6202 4.6474 4.7332 4.7552
4.8195 4.8639 4.9281 4.9809 5.0429 5.0496 5.1294 5.1743
6.1823 6.2646 6.4228 6.4748 6.6447 6.7633 11.5753 11.6054
11.9600 12.0058 12.2391 12.2983 13.4046 13.5662 13.8699 13.9572
k = 0.4464-0.4464 0.4464 ( 4122 PWs) bands (ev):
-4.8965 -4.8957 -4.6231 -4.6226 1.8754 1.9240 2.0289 2.0609
2.2055 2.2841 3.5210 3.5686 3.6446 3.6909 3.7246 3.7428
3.9073 3.9313 4.0393 4.1076 4.1902 4.2369 4.2988 4.3673
4.4156 4.4556 4.4794 4.5617 4.6121 4.6390 4.7251 4.7477
4.8080 4.8472 4.9255 4.9694 5.0280 5.0343 5.1101 5.1598
6.1938 6.2722 6.4036 6.4602 6.5909 6.7089 11.5877 11.6133
12.0239 12.0707 12.2586 12.3154 13.4870 13.6574 13.9137 14.0038
k = 0.4554-0.4554 0.4554 ( 4122 PWs) bands (ev):
-4.8918 -4.8911 -4.6220 -4.6217 1.8924 1.9362 2.0200 2.0588
2.1737 2.2523 3.5376 3.5777 3.6620 3.6987 3.7292 3.7438
3.9166 3.9355 4.0624 4.1291 4.2009 4.2433 4.2993 4.3603
4.4227 4.4565 4.4849 4.5518 4.6004 4.6325 4.7152 4.7395
4.7948 4.8284 4.9272 4.9607 5.0143 5.0207 5.0962 5.1464
6.2087 6.2817 6.3870 6.4487 6.5405 6.6585 11.5971 11.6183
12.0807 12.1263 12.2798 12.3324 13.5694 13.7477 13.9511 14.0467
k = 0.4643-0.4643 0.4643 ( 4104 PWs) bands (ev):
-4.8879 -4.8874 -4.6211 -4.6208 1.9106 1.9484 2.0122 2.0586
2.1445 2.2221 3.5520 3.5839 3.6786 3.7058 3.7323 3.7438
3.9247 3.9390 4.0870 4.1511 4.2106 4.2464 4.2990 4.3529
4.4298 4.4580 4.4925 4.5423 4.5867 4.6270 4.7044 4.7302
4.7820 4.8096 4.9315 4.9553 5.0017 5.0076 5.0883 5.1341
6.2269 6.2925 6.3728 6.4405 6.4942 6.6122 11.6045 11.6213
12.1282 12.1686 12.3040 12.3488 13.6512 13.8363 13.9809 14.0854
k = 0.4732-0.4732 0.4732 ( 4104 PWs) bands (ev):
-4.8849 -4.8845 -4.6205 -4.6202 1.9293 1.9598 2.0058 2.0586
2.1202 2.1938 3.5641 3.5876 3.6934 3.7122 3.7340 3.7427
3.9311 3.9415 4.1126 4.1718 4.2184 4.2448 4.2987 4.3453
4.4369 4.4599 4.4996 4.5346 4.5741 4.6208 4.6942 4.7197
4.7716 4.7931 4.9374 4.9532 4.9902 4.9948 5.0854 5.1228
6.2484 6.3038 6.3609 6.4318 6.4567 6.5704 11.6104 11.6229
12.1651 12.1964 12.3300 12.3640 13.7312 13.9195 14.0037 14.1198
k = 0.4821-0.4821 0.4821 ( 4104 PWs) bands (ev):
-4.8827 -4.8824 -4.6200 -4.6198 1.9472 1.9696 2.0019 2.0531
2.1073 2.1677 3.5738 3.5892 3.7058 3.7175 3.7344 3.7405
3.9361 3.9429 4.1387 4.1887 4.2228 4.2380 4.3011 4.3372
4.4441 4.4615 4.5031 4.5283 4.5687 4.6124 4.6869 4.7079
4.7651 4.7801 4.9446 4.9540 4.9798 4.9828 5.0863 5.1126
6.2731 6.3148 6.3508 6.4024 6.4493 6.5336 11.6150 11.6233
12.1915 12.2121 12.3541 12.3760 13.8072 13.9712 14.0413 14.1502
k = 0.4911-0.4911 0.4911 ( 4092 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9620 1.9747 2.0051 2.0376
2.1108 2.1444 3.5810 3.5886 3.7152 3.7210 3.7342 3.7377
3.9397 3.9431 4.1640 4.1962 4.2231 4.2300 4.3078 4.3278
4.4513 4.4612 4.5052 4.5197 4.5750 4.6012 4.6846 4.6966
4.7631 4.7708 4.9526 4.9573 4.9707 4.9720 5.0902 5.1037
6.3009 6.3247 6.3419 6.3665 6.4589 6.5022 11.6185 11.6226
12.2085 12.2185 12.3721 12.3826 13.8755 13.9657 14.1137 14.1774
k = 0.5000-0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.4846 0.5000 ( 4096 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9582 1.9805 2.0044 2.0370
2.1121 2.1422 3.5794 3.5905 3.7140 3.7230 3.7340 3.7370
3.9399 3.9429 4.1654 4.1962 4.2193 4.2325 4.3074 4.3288
4.4477 4.4652 4.5055 4.5187 4.5766 4.5996 4.6795 4.7012
4.7629 4.7699 4.9524 4.9598 4.9671 4.9732 5.0908 5.1040
6.3027 6.3176 6.3470 6.3670 6.4570 6.5037 11.6172 11.6208
12.2060 12.2224 12.3693 12.3871 13.8815 13.9625 14.1201 14.1821
k = 0.5000-0.4692 0.5000 ( 4112 PWs) bands (ev):
-4.8827 -4.8824 -4.6200 -4.6198 1.9426 1.9792 1.9995 2.0545
2.1071 2.1632 3.5709 3.5931 3.7050 3.7194 3.7337 3.7398
3.9365 3.9423 4.1416 4.1898 4.2163 4.2418 4.3014 4.3385
4.4377 4.4688 4.5054 4.5262 4.5700 4.6096 4.6748 4.7194
4.7630 4.7770 4.9445 4.9583 4.9732 4.9848 5.0886 5.1143
6.2748 6.3019 6.3634 6.4018 6.4453 6.5359 11.6093 11.6165
12.1888 12.2207 12.3512 12.3856 13.8156 13.9751 14.0445 14.1689
k = 0.5000-0.4538 0.5000 ( 4120 PWs) bands (ev):
-4.8848 -4.8844 -4.6204 -4.6202 1.9262 1.9682 2.0035 2.0643
2.1160 2.1874 3.5605 3.5936 3.6946 3.7122 3.7320 3.7430
3.9319 3.9400 4.1165 4.1738 4.2107 4.2511 4.2994 4.3450
4.4286 4.4690 4.5083 4.5304 4.5717 4.6164 4.6729 4.7427
4.7654 4.7871 4.9381 4.9578 4.9819 4.9973 5.0895 5.1269
6.2495 6.2855 6.3817 6.4332 6.4476 6.5723 11.5969 11.6078
12.1650 12.2099 12.3299 12.3780 13.7355 13.9277 14.0092 14.1639
k = 0.5000-0.4385 0.5000 ( 4120 PWs) bands (ev):
-4.8878 -4.8873 -4.6211 -4.6208 1.9101 1.9555 2.0088 2.0656
2.1388 2.2143 3.5484 3.5919 3.6829 3.7027 3.7286 3.7456
3.9257 3.9358 4.0917 4.1541 4.2022 4.2571 4.2990 4.3487
4.4214 4.4680 4.5100 4.5339 4.5804 4.6210 4.6725 4.7650
4.7732 4.8012 4.9338 4.9582 4.9940 5.0108 5.0939 5.1417
6.2270 6.2688 6.4025 6.4426 6.4821 6.6121 11.5795 11.5941
12.1337 12.1867 12.3098 12.3656 13.6448 13.8325 14.0076 14.1664
k = 0.5000-0.4231 0.5000 ( 4120 PWs) bands (ev):
-4.8915 -4.8909 -4.6219 -4.6216 1.8948 1.9425 2.0138 2.0645
2.1685 2.2435 3.5347 3.5879 3.6700 3.6915 3.7237 3.7472
3.9177 3.9291 4.0685 4.1334 4.1921 4.2589 4.2966 4.3517
4.4160 4.4662 4.5103 4.5393 4.5904 4.6259 4.6725 4.7722
4.7941 4.8219 4.9317 4.9592 5.0102 5.0257 5.1018 5.1590
6.2074 6.2530 6.4258 6.4543 6.5236 6.6547 11.5564 11.5748
12.0943 12.1491 12.2938 12.3503 13.5472 13.7275 14.0061 14.1741
k = 0.5000-0.4077 0.5000 ( 4120 PWs) bands (ev):
-4.8960 -4.8952 -4.6229 -4.6225 1.8806 1.9298 2.0188 2.0636
2.2019 2.2747 3.5195 3.5815 3.6562 3.6790 3.7174 3.7477
3.9075 3.9198 4.0481 4.1133 4.1810 4.2567 4.2908 4.3558
4.4122 4.4640 4.5112 4.5461 4.5972 4.6333 4.6727 4.7775
4.8115 4.8480 4.9326 4.9605 5.0304 5.0436 5.1131 5.1792
6.1908 6.2387 6.4509 6.4726 6.5674 6.6995 11.5267 11.5486
12.0464 12.0983 12.2818 12.3338 13.4456 13.6176 14.0032 14.1847
k = 0.5000-0.3923 0.5000 ( 4112 PWs) bands (ev):
-4.9012 -4.9003 -4.6241 -4.6236 1.8676 1.9175 2.0236 2.0634
2.2379 2.3077 3.5030 3.5726 3.6415 3.6656 3.7099 3.7467
3.8949 3.9081 4.0311 4.0948 4.1688 4.2509 4.2825 4.3611
4.4098 4.4619 4.5131 4.5535 4.5998 4.6432 4.6731 4.7824
4.8255 4.8722 4.9373 4.9623 5.0510 5.0686 5.1284 5.2035
6.1774 6.2268 6.4774 6.4976 6.6130 6.7462 11.4892 11.5145
11.9903 12.0374 12.2722 12.3175 13.3424 13.5047 13.9995 14.1957
k = 0.5000-0.3769 0.5000 ( 4116 PWs) bands (ev):
-4.9070 -4.9060 -4.6253 -4.6248 1.8557 1.9058 2.0284 2.0640
2.2760 2.3423 3.4855 3.5612 3.6261 3.6515 3.7011 3.7438
3.8802 3.8946 4.0175 4.0785 4.1556 4.2413 4.2742 4.3668
4.4087 4.4603 4.5156 4.5610 4.5999 4.6530 4.6742 4.7869
4.8372 4.8896 4.9462 4.9644 5.0696 5.1002 5.1501 5.2336
6.1674 6.2177 6.5054 6.5284 6.6604 6.7944 11.4428 11.4708
11.9270 11.9689 12.2642 12.3025 13.2394 13.3905 13.9954 14.2026
k = 0.5000-0.3615 0.5000 ( 4112 PWs) bands (ev):
-4.9133 -4.9123 -4.6267 -4.6262 1.8451 1.8947 2.0332 2.0653
2.3157 2.3782 3.4672 3.5474 3.6100 3.6372 3.6911 3.7386
3.8645 3.8801 4.0067 4.0646 4.1412 4.2285 4.2675 4.3722
4.4090 4.4593 4.5180 4.5683 4.5992 4.6608 4.6772 4.7908
4.8468 4.9003 4.9565 4.9682 5.0869 5.1287 5.1846 5.2709
6.1608 6.2119 6.5356 6.5635 6.7093 6.8439 11.3865 11.4164
11.8577 11.8949 12.2573 12.2894 13.1385 13.2765 13.9914 14.1994
k = 0.5000-0.3462 0.5000 ( 4112 PWs) bands (ev):
-4.9202 -4.9191 -4.6282 -4.6276 1.8356 1.8844 2.0381 2.0673
2.3569 2.4153 3.4485 3.5316 3.5933 3.6227 3.6797 3.7303
3.8493 3.8656 3.9979 4.0527 4.1260 4.2136 4.2627 4.3766
4.4108 4.4590 4.5202 4.5743 4.5989 4.6653 4.6827 4.7941
4.8545 4.9070 4.9624 4.9766 5.1030 5.1489 5.2340 5.3163
6.1577 6.2094 6.5684 6.6018 6.7594 6.8943 11.3195 11.3503
11.7830 11.8171 12.2517 12.2786 13.0412 13.1643 13.9877 14.1856
k = 0.5000-0.3308 0.5000 ( 4120 PWs) bands (ev):
-4.9275 -4.9263 -4.6299 -4.6292 1.8271 1.8747 2.0431 2.0697
2.3993 2.4532 3.4295 3.5143 3.5760 3.6081 3.6669 3.7183
3.8359 3.8517 3.9905 4.0425 4.1103 4.1978 4.2595 4.3798
4.4139 4.4592 4.5221 4.5773 4.6009 4.6678 4.6897 4.7966
4.8605 4.9116 4.9648 4.9875 5.1176 5.1641 5.2931 5.3695
6.1583 6.2107 6.6035 6.6428 6.8107 6.9453 11.2417 11.2725
11.7027 11.7368 12.2476 12.2703 12.9488 13.0558 13.9847 14.1669
k = 0.5000-0.3154 0.5000 ( 4120 PWs) bands (ev):
-4.9351 -4.9339 -4.6316 -4.6309 1.8197 1.8658 2.0482 2.0725
2.4425 2.4917 3.4104 3.4957 3.5582 3.5936 3.6528 3.7027
3.8249 3.8392 3.9839 4.0332 4.0949 4.1821 4.2575 4.3819
4.4180 4.4600 4.5239 4.5770 4.6056 4.6694 4.6967 4.7986
4.8650 4.9149 4.9663 4.9980 5.1308 5.1764 5.3580 5.4295
6.1625 6.2156 6.6408 6.6858 6.8628 6.9967 11.1535 11.1837
11.6163 11.6544 12.2452 12.2647 12.8626 12.9525 13.9823 14.1471
k = 0.5000-0.3000 0.5000 ( 4120 PWs) bands (ev):
-4.9431 -4.9418 -4.6333 -4.6326 1.8132 1.8576 2.0533 2.0757
2.4863 2.5306 3.3916 3.4765 3.5402 3.5790 3.6375 3.6840
3.8159 3.8287 3.9779 4.0242 4.0809 4.1670 4.2564 4.3831
4.4225 4.4613 4.5256 4.5749 4.6116 4.6709 4.7034 4.8000
4.8682 4.9170 4.9680 5.0075 5.1428 5.1867 5.4272 5.4950
6.1704 6.2245 6.6797 6.7306 6.9155 7.0482 11.0560 11.0853
11.5237 11.5689 12.2448 12.2619 12.7832 12.8562 13.9807 14.1282
k = 0.5000-0.2846 0.5000 ( 4108 PWs) bands (ev):
-4.9512 -4.9499 -4.6351 -4.6344 1.8075 1.8501 2.0585 2.0792
2.5304 2.5695 3.3732 3.4569 3.5222 3.5644 3.6212 3.6633
3.8076 3.8208 3.9721 4.0148 4.0690 4.1528 4.2560 4.3837
4.4268 4.4633 4.5273 4.5722 4.6179 4.6724 4.7097 4.8008
4.8701 4.9177 4.9702 5.0161 5.1538 5.1955 5.4994 5.5650
6.1820 6.2372 6.7199 6.7767 6.9686 7.0994 10.9508 10.9793
11.4251 11.4789 12.2467 12.2619 12.7114 12.7680 13.9798 14.1110
k = 0.5000-0.2692 0.5000 ( 4112 PWs) bands (ev):
-4.9595 -4.9582 -4.6370 -4.6363 1.8026 1.8432 2.0637 2.0828
2.5743 2.6081 3.3554 3.4373 3.5044 3.5497 3.6042 3.6416
3.7994 3.8152 3.9664 4.0049 4.0598 4.1395 4.2559 4.3838
4.4301 4.4661 4.5291 4.5696 4.6238 4.6739 4.7156 4.8010
4.8710 4.9167 4.9732 5.0237 5.1638 5.2031 5.5740 5.6385
6.1971 6.2537 6.7609 6.8237 7.0218 7.1501 10.8395 10.8676
11.3209 11.3834 12.2507 12.2646 12.6472 12.6888 13.9798 14.0959
k = 0.5000-0.2538 0.5000 ( 4120 PWs) bands (ev):
-4.9678 -4.9665 -4.6389 -4.6381 1.7983 1.8369 2.0689 2.0866
2.6176 2.6461 3.3383 3.4178 3.4870 3.5351 3.5868 3.6198
3.7916 3.8110 3.9606 3.9952 4.0532 4.1272 4.2562 4.3834
4.4322 4.4699 4.5309 4.5676 4.6290 4.6754 4.7210 4.8003
4.8712 4.9139 4.9773 5.0306 5.1731 5.2098 5.6503 5.7145
6.2157 6.2742 6.8024 6.8711 7.0747 7.1999 10.7239 10.7518
11.2118 11.2820 12.2571 12.2697 12.5904 12.6192 13.9804 14.0828
k = 0.5000-0.2385 0.5000 ( 4108 PWs) bands (ev):
-4.9761 -4.9748 -4.6407 -4.6400 1.7948 1.8311 2.0741 2.0905
2.6601 2.6833 3.3221 3.3987 3.4702 3.5205 3.5693 3.5986
3.7843 3.8074 3.9546 3.9866 4.0487 4.1160 4.2567 4.3828
4.4328 4.4747 4.5326 4.5668 4.6334 4.6769 4.7263 4.7987
4.8709 4.9094 4.9822 5.0367 5.1817 5.2157 5.7276 5.7924
6.2376 6.2984 6.8439 6.9185 7.1272 7.2485 10.6057 10.6335
11.0986 11.1750 12.2655 12.2772 12.5404 12.5594 13.9818 14.0719
k = 0.5000-0.2231 0.5000 ( 4108 PWs) bands (ev):
-4.9843 -4.9830 -4.6426 -4.6419 1.7918 1.8258 2.0793 2.0944
2.7012 2.7193 3.3069 3.3802 3.4542 3.5061 3.5518 3.5785
3.7777 3.8039 3.9484 3.9797 4.0458 4.1058 4.2573 4.3818
4.4320 4.4801 4.5339 4.5674 4.6370 4.6782 4.7313 4.7957
4.8706 4.9034 4.9878 5.0420 5.1897 5.2210 5.8055 5.8714
6.2626 6.3264 6.8850 6.9656 7.1787 7.2956 10.4863 10.5142
10.9823 11.0634 12.2758 12.2868 12.4962 12.5097 13.9836 14.0630
k = 0.5000-0.2077 0.5000 ( 4108 PWs) bands (ev):
-4.9923 -4.9911 -4.6444 -4.6437 1.7893 1.8210 2.0843 2.0982
2.7404 2.7539 3.2927 3.3624 3.4391 3.4918 3.5346 3.5599
3.7716 3.8001 3.9426 3.9746 4.0439 4.0967 4.2581 4.3804
4.4304 4.4859 4.5347 4.5697 4.6397 4.6794 4.7360 4.7915
4.8705 4.8964 4.9938 5.0467 5.1971 5.2258 5.8831 5.9508
6.2905 6.3580 6.9256 7.0119 7.2291 7.3409 10.3672 10.3951
10.8641 10.9482 12.2871 12.2982 12.4570 12.4703 13.9860 14.0558
k = 0.5000-0.1923 0.5000 ( 4100 PWs) bands (ev):
-5.0001 -4.9989 -4.6461 -4.6455 1.7873 1.8167 2.0891 2.1020
2.7770 2.7871 3.2796 3.3454 3.4250 3.4778 3.5178 3.5431
3.7661 3.7960 3.9378 3.9711 4.0428 4.0887 4.2591 4.3785
4.4282 4.4916 4.5353 4.5735 4.6417 4.6804 4.7401 4.7859
4.8706 4.8887 4.9999 5.0507 5.2041 5.2302 5.9598 6.0298
6.3211 6.3931 6.9652 7.0569 7.2779 7.3840 10.2497 10.2774
10.7454 10.8309 12.2980 12.3110 12.4234 12.4403 13.9887 14.0501
k = 0.5000-0.1769 0.5000 ( 4100 PWs) bands (ev):
-5.0075 -5.0064 -4.6478 -4.6472 1.7857 1.8127 2.0938 2.1056
2.8103 2.8190 3.2678 3.3293 3.4121 3.4640 3.5019 3.5280
3.7612 3.7915 3.9343 3.9686 4.0421 4.0819 4.2603 4.3759
4.4260 4.4966 4.5362 4.5783 4.6430 4.6812 4.7432 4.7796
4.8707 4.8810 5.0061 5.0541 5.2106 5.2343 6.0348 6.1077
6.3542 6.4315 7.0037 7.1002 7.3248 7.4246 10.1349 10.1623
10.6274 10.7130 12.3060 12.3249 12.3968 12.4194 13.9917 14.0458
k = 0.5000-0.1615 0.5000 ( 4112 PWs) bands (ev):
-5.0146 -5.0135 -4.6495 -4.6488 1.7845 1.8091 2.0983 2.1090
2.8399 2.8495 3.2571 3.3141 3.4003 3.4505 3.4872 3.5146
3.7569 3.7869 3.9322 3.9668 4.0416 4.0763 4.2616 4.3725
4.4243 4.5003 4.5380 4.5837 4.6438 4.6818 4.7441 4.7734
4.8687 4.8757 5.0121 5.0569 5.2166 5.2380 6.1072 6.1833
6.3895 6.4726 7.0408 7.1415 7.3694 7.4624 10.0241 10.0508
10.5116 10.5959 12.3083 12.3367 12.3794 12.4095 13.9948 14.0425
k = 0.5000-0.1462 0.5000 ( 4104 PWs) bands (ev):
-5.0212 -5.0202 -4.6510 -4.6504 1.7836 1.8058 2.1025 2.1122
2.8661 2.8777 3.2478 3.3000 3.3899 3.4374 3.4740 3.5027
3.7533 3.7823 3.9316 3.9656 4.0413 4.0721 4.2633 4.3683
4.4235 4.5023 4.5413 4.5895 4.6443 4.6821 4.7412 4.7690
4.8629 4.8751 5.0180 5.0592 5.2223 5.2414 6.1763 6.2555
6.4268 6.5160 7.0766 7.1803 7.4114 7.4971 9.9183 9.9441
10.3994 10.4813 12.3042 12.3372 12.3788 12.4110 13.9980 14.0400
k = 0.5000-0.1308 0.5000 ( 4112 PWs) bands (ev):
-5.0273 -5.0263 -4.6524 -4.6518 1.7830 1.8029 2.1065 2.1152
2.8894 2.9029 3.2397 3.2870 3.3807 3.4247 3.4626 3.4920
3.7504 3.7778 3.9322 3.9647 4.0408 4.0690 4.2654 4.3630
4.4238 4.5027 4.5458 4.5953 4.6445 4.6824 4.7344 4.7662
4.8571 4.8757 5.0236 5.0610 5.2276 5.2444 6.2413 6.3230
6.4661 6.5605 7.1111 7.2162 7.4505 7.5284 9.8188 9.8432
10.2923 10.3706 12.2965 12.3272 12.3926 12.4204 14.0013 14.0381
k = 0.5000-0.1154 0.5000 ( 4104 PWs) bands (ev):
-5.0329 -5.0320 -4.6536 -4.6531 1.7827 1.8002 2.1101 2.1178
2.9099 2.9248 3.2329 3.2751 3.3729 3.4128 3.4532 3.4825
3.7484 3.7737 3.9339 3.9640 4.0405 4.0671 4.2679 4.3570
4.4253 4.5016 4.5514 4.6008 4.6448 4.6826 4.7251 4.7634
4.8530 4.8764 5.0289 5.0622 5.2324 5.2472 6.3016 6.3839
6.5075 6.6051 7.1442 7.2487 7.4862 7.5560 9.7267 9.7494
10.1917 10.2653 12.2883 12.3158 12.4105 12.4339 14.0044 14.0366
k = 0.5000-0.1000 0.5000 ( 4120 PWs) bands (ev):
-5.0378 -5.0370 -4.6548 -4.6543 1.7826 1.7977 2.1134 2.1201
2.9278 2.9432 3.2274 3.2643 3.3664 3.4016 3.4456 3.4739
3.7471 3.7699 3.9361 3.9632 4.0404 4.0657 4.2708 4.3503
4.4279 4.4993 4.5575 4.6055 4.6453 4.6829 4.7150 4.7593
4.8509 4.8767 5.0339 5.0630 5.2368 5.2495 6.3568 6.4365
6.5509 6.6478 7.1760 7.2774 7.5184 7.5799 9.6430 9.6636
10.0993 10.1670 12.2813 12.3056 12.4291 12.4489 14.0075 14.0354
k = 0.5000-0.0846 0.5000 ( 4108 PWs) bands (ev):
-5.0421 -5.0415 -4.6557 -4.6554 1.7827 1.7955 2.1164 2.1221
2.9431 2.9582 3.2232 3.2546 3.3612 3.3913 3.4400 3.4662
3.7465 3.7665 3.9389 3.9625 4.0409 4.0647 4.2744 4.3433
4.4317 4.4961 4.5640 4.6092 4.6463 4.6831 4.7053 4.7535
4.8509 4.8767 5.0385 5.0633 5.2408 5.2515 6.4065 6.4799
6.5954 6.6868 7.2067 7.3016 7.5469 7.5997 9.5689 9.5870
10.0168 10.0773 12.2758 12.2969 12.4471 12.4638 14.0104 14.0341
k = 0.5000-0.0692 0.5000 ( 4116 PWs) bands (ev):
-5.0458 -5.0452 -4.6566 -4.6563 1.7830 1.7935 2.1190 2.1236
2.9560 2.9698 3.2202 3.2461 3.3573 3.3822 3.4362 3.4593
3.7466 3.7634 3.9419 3.9615 4.0420 4.0636 4.2784 4.3359
4.4365 4.4921 4.5706 4.6113 4.6478 4.6826 4.6975 4.7462
4.8525 4.8762 5.0427 5.0631 5.2443 5.2530 6.4504 6.5142
6.6388 6.7201 7.2359 7.3208 7.5715 7.6154 9.5055 9.5208
9.9458 9.9978 12.2720 12.2896 12.4638 12.4774 14.0132 14.0328
k = 0.5000-0.0538 0.5000 ( 4108 PWs) bands (ev):
-5.0487 -5.0483 -4.6572 -4.6570 1.7835 1.7916 2.1212 2.1248
2.9666 2.9783 3.2184 3.2387 3.3547 3.3742 3.4340 3.4531
3.7473 3.7606 3.9449 3.9604 4.0439 4.0622 4.2831 4.3285
4.4421 4.4873 4.5772 4.6116 4.6501 4.6794 4.6944 4.7381
4.8553 4.8751 5.0466 5.0625 5.2473 5.2541 6.4880 6.5398
6.6789 6.7461 7.2634 7.3346 7.5921 7.6268 9.4538 9.4660
9.8880 9.9302 12.2697 12.2837 12.4784 12.4891 14.0159 14.0313
k = 0.5000-0.0385 0.5000 ( 4100 PWs) bands (ev):
-5.0509 -5.0506 -4.6577 -4.6576 1.7842 1.7900 2.1230 2.1256
2.9750 2.9839 3.2179 3.2324 3.3535 3.3674 3.4334 3.4476
3.7485 3.7581 3.9479 3.9590 4.0463 4.0604 4.2883 4.3211
4.4484 4.4817 4.5838 4.6100 4.6528 4.6738 4.6960 4.7296
4.8586 4.8735 5.0501 5.0615 5.2498 5.2546 6.5190 6.5571
6.7134 6.7637 7.2884 7.3422 7.6088 7.6340 9.4147 9.4236
9.8449 9.8760 12.2687 12.2788 12.4903 12.4981 14.0185 14.0297
k = 0.5000-0.0231 0.5000 ( 4100 PWs) bands (ev):
-5.0524 -5.0522 -4.6580 -4.6579 1.7851 1.7885 2.1243 2.1259
2.9812 2.9868 3.2185 3.2273 3.3536 3.3620 3.4341 3.4429
3.7500 3.7558 3.9506 3.9573 4.0492 4.0581 4.2940 4.3139
4.4551 4.4756 4.5903 4.6066 4.6560 4.6682 4.7002 4.7211
4.8621 4.8713 5.0532 5.0600 5.2518 5.2547 6.5427 6.5660
6.7409 6.7720 7.3099 7.3435 7.6217 7.6370 9.3888 9.3942
9.8176 9.8368 12.2688 12.2750 12.4991 12.5038 14.0210 14.0277
k = 0.5000-0.0077 0.5000 ( 4116 PWs) bands (ev):
-5.0531 -5.0530 -4.6582 -4.6582 1.7860 1.7872 2.1253 2.1258
2.9853 2.9872 3.2203 3.2232 3.3550 3.3578 3.4360 3.4390
3.7517 3.7536 3.9531 3.9553 4.0522 4.0553 4.3002 4.3068
4.4620 4.4689 4.5964 4.6019 4.6594 4.6634 4.7061 4.7131
4.8654 4.8686 5.0559 5.0581 5.2533 5.2543 6.5587 6.5665
6.7602 6.7708 7.3269 7.3383 7.6307 7.6359 9.3766 9.3784
9.8071 9.8135 12.2700 12.2721 12.5044 12.5060 14.0234 14.0256
k = 0.5000 0.0077 0.5000 ( 4116 PWs) bands (ev):
-5.0531 -5.0530 -4.6582 -4.6582 1.7860 1.7872 2.1253 2.1258
2.9853 2.9872 3.2203 3.2232 3.3550 3.3578 3.4360 3.4390
3.7517 3.7536 3.9531 3.9553 4.0522 4.0553 4.3002 4.3068
4.4620 4.4689 4.5964 4.6019 4.6594 4.6634 4.7061 4.7131
4.8654 4.8686 5.0559 5.0581 5.2533 5.2543 6.5587 6.5665
6.7602 6.7708 7.3269 7.3383 7.6307 7.6359 9.3766 9.3784
9.8071 9.8135 12.2700 12.2721 12.5044 12.5060 14.0234 14.0256
k = 0.5000 0.0231 0.5000 ( 4100 PWs) bands (ev):
-5.0524 -5.0522 -4.6580 -4.6579 1.7851 1.7885 2.1243 2.1259
2.9812 2.9868 3.2185 3.2273 3.3536 3.3620 3.4341 3.4429
3.7500 3.7558 3.9506 3.9573 4.0492 4.0581 4.2940 4.3139
4.4551 4.4756 4.5903 4.6066 4.6560 4.6682 4.7002 4.7211
4.8621 4.8713 5.0532 5.0600 5.2518 5.2547 6.5427 6.5660
6.7409 6.7720 7.3099 7.3435 7.6217 7.6370 9.3888 9.3942
9.8176 9.8368 12.2688 12.2750 12.4991 12.5038 14.0210 14.0277
k = 0.5000 0.0385 0.5000 ( 4100 PWs) bands (ev):
-5.0509 -5.0506 -4.6577 -4.6576 1.7842 1.7900 2.1230 2.1256
2.9750 2.9839 3.2179 3.2324 3.3535 3.3674 3.4334 3.4476
3.7485 3.7581 3.9479 3.9590 4.0463 4.0604 4.2883 4.3211
4.4484 4.4817 4.5838 4.6100 4.6528 4.6738 4.6960 4.7296
4.8586 4.8735 5.0501 5.0615 5.2498 5.2546 6.5190 6.5571
6.7134 6.7637 7.2884 7.3422 7.6088 7.6340 9.4147 9.4236
9.8449 9.8760 12.2687 12.2788 12.4903 12.4981 14.0185 14.0297
k = 0.5000 0.0538 0.5000 ( 4108 PWs) bands (ev):
-5.0487 -5.0483 -4.6572 -4.6570 1.7835 1.7916 2.1212 2.1248
2.9666 2.9783 3.2184 3.2387 3.3547 3.3742 3.4340 3.4531
3.7473 3.7606 3.9449 3.9604 4.0439 4.0622 4.2831 4.3285
4.4421 4.4873 4.5772 4.6116 4.6501 4.6794 4.6944 4.7381
4.8553 4.8751 5.0466 5.0625 5.2473 5.2541 6.4880 6.5398
6.6789 6.7461 7.2634 7.3346 7.5921 7.6268 9.4538 9.4660
9.8880 9.9302 12.2697 12.2837 12.4784 12.4891 14.0159 14.0313
k = 0.5000 0.0692 0.5000 ( 4116 PWs) bands (ev):
-5.0458 -5.0452 -4.6566 -4.6563 1.7830 1.7935 2.1190 2.1236
2.9560 2.9698 3.2202 3.2461 3.3573 3.3822 3.4362 3.4593
3.7466 3.7634 3.9419 3.9615 4.0420 4.0636 4.2784 4.3359
4.4365 4.4921 4.5706 4.6113 4.6478 4.6826 4.6975 4.7462
4.8525 4.8762 5.0427 5.0631 5.2443 5.2530 6.4504 6.5142
6.6388 6.7201 7.2359 7.3208 7.5715 7.6154 9.5055 9.5208
9.9458 9.9978 12.2720 12.2896 12.4638 12.4774 14.0132 14.0328
k = 0.5000 0.0846 0.5000 ( 4108 PWs) bands (ev):
-5.0421 -5.0415 -4.6557 -4.6554 1.7827 1.7955 2.1164 2.1221
2.9431 2.9582 3.2232 3.2546 3.3612 3.3913 3.4400 3.4662
3.7465 3.7665 3.9389 3.9625 4.0409 4.0647 4.2744 4.3433
4.4317 4.4961 4.5640 4.6092 4.6463 4.6831 4.7053 4.7535
4.8509 4.8767 5.0385 5.0633 5.2408 5.2515 6.4065 6.4799
6.5954 6.6868 7.2067 7.3016 7.5469 7.5997 9.5689 9.5870
10.0168 10.0773 12.2758 12.2969 12.4471 12.4638 14.0104 14.0341
k = 0.5000 0.1000 0.5000 ( 4120 PWs) bands (ev):
-5.0378 -5.0370 -4.6548 -4.6543 1.7826 1.7977 2.1134 2.1201
2.9278 2.9432 3.2274 3.2643 3.3664 3.4016 3.4456 3.4739
3.7471 3.7699 3.9361 3.9632 4.0404 4.0657 4.2708 4.3503
4.4279 4.4993 4.5575 4.6055 4.6453 4.6829 4.7150 4.7593
4.8509 4.8767 5.0339 5.0630 5.2368 5.2495 6.3568 6.4365
6.5509 6.6478 7.1760 7.2774 7.5184 7.5799 9.6430 9.6636
10.0993 10.1670 12.2813 12.3056 12.4291 12.4489 14.0075 14.0354
k = 0.5000 0.1154 0.5000 ( 4104 PWs) bands (ev):
-5.0329 -5.0320 -4.6536 -4.6531 1.7827 1.8002 2.1101 2.1178
2.9099 2.9248 3.2329 3.2751 3.3729 3.4128 3.4532 3.4825
3.7484 3.7737 3.9339 3.9640 4.0405 4.0671 4.2679 4.3570
4.4253 4.5016 4.5514 4.6008 4.6448 4.6826 4.7251 4.7634
4.8530 4.8764 5.0289 5.0622 5.2324 5.2472 6.3016 6.3839
6.5075 6.6051 7.1442 7.2487 7.4862 7.5560 9.7267 9.7494
10.1917 10.2653 12.2883 12.3158 12.4105 12.4339 14.0044 14.0366
k = 0.5000 0.1308 0.5000 ( 4112 PWs) bands (ev):
-5.0273 -5.0263 -4.6524 -4.6518 1.7830 1.8029 2.1065 2.1152
2.8894 2.9029 3.2397 3.2870 3.3807 3.4247 3.4626 3.4920
3.7504 3.7778 3.9322 3.9647 4.0408 4.0690 4.2654 4.3630
4.4238 4.5027 4.5458 4.5953 4.6445 4.6824 4.7344 4.7662
4.8571 4.8757 5.0236 5.0610 5.2276 5.2444 6.2413 6.3230
6.4661 6.5605 7.1111 7.2162 7.4505 7.5284 9.8188 9.8432
10.2923 10.3706 12.2965 12.3272 12.3926 12.4204 14.0013 14.0381
k = 0.5000 0.1462 0.5000 ( 4104 PWs) bands (ev):
-5.0212 -5.0202 -4.6510 -4.6504 1.7836 1.8058 2.1025 2.1122
2.8661 2.8777 3.2478 3.3000 3.3899 3.4374 3.4740 3.5027
3.7533 3.7823 3.9316 3.9656 4.0413 4.0721 4.2633 4.3683
4.4235 4.5023 4.5413 4.5895 4.6443 4.6821 4.7412 4.7690
4.8629 4.8751 5.0180 5.0592 5.2223 5.2414 6.1763 6.2555
6.4268 6.5160 7.0766 7.1803 7.4114 7.4971 9.9183 9.9441
10.3994 10.4813 12.3042 12.3372 12.3788 12.4110 13.9980 14.0400
k = 0.5000 0.1615 0.5000 ( 4112 PWs) bands (ev):
-5.0146 -5.0135 -4.6495 -4.6488 1.7845 1.8091 2.0983 2.1090
2.8399 2.8495 3.2571 3.3141 3.4003 3.4505 3.4872 3.5146
3.7569 3.7869 3.9322 3.9668 4.0416 4.0763 4.2616 4.3725
4.4243 4.5003 4.5380 4.5837 4.6438 4.6818 4.7441 4.7734
4.8687 4.8757 5.0121 5.0569 5.2166 5.2380 6.1072 6.1833
6.3895 6.4726 7.0408 7.1415 7.3694 7.4624 10.0241 10.0508
10.5116 10.5959 12.3083 12.3367 12.3794 12.4095 13.9948 14.0425
k = 0.5000 0.1769 0.5000 ( 4100 PWs) bands (ev):
-5.0075 -5.0064 -4.6478 -4.6472 1.7857 1.8127 2.0938 2.1056
2.8103 2.8190 3.2678 3.3293 3.4121 3.4640 3.5019 3.5280
3.7612 3.7915 3.9343 3.9686 4.0421 4.0819 4.2603 4.3759
4.4260 4.4966 4.5362 4.5783 4.6430 4.6812 4.7432 4.7796
4.8707 4.8810 5.0061 5.0541 5.2106 5.2343 6.0348 6.1077
6.3542 6.4315 7.0037 7.1002 7.3248 7.4246 10.1349 10.1623
10.6274 10.7130 12.3060 12.3249 12.3968 12.4194 13.9917 14.0458
k = 0.5000 0.1923 0.5000 ( 4100 PWs) bands (ev):
-5.0001 -4.9989 -4.6461 -4.6455 1.7873 1.8167 2.0891 2.1020
2.7770 2.7871 3.2796 3.3454 3.4250 3.4778 3.5178 3.5431
3.7661 3.7960 3.9378 3.9711 4.0428 4.0887 4.2591 4.3785
4.4282 4.4916 4.5353 4.5735 4.6417 4.6804 4.7401 4.7859
4.8706 4.8887 4.9999 5.0507 5.2041 5.2302 5.9598 6.0298
6.3211 6.3931 6.9652 7.0569 7.2779 7.3840 10.2497 10.2774
10.7454 10.8309 12.2980 12.3110 12.4234 12.4403 13.9887 14.0501
k = 0.5000 0.2077 0.5000 ( 4108 PWs) bands (ev):
-4.9923 -4.9911 -4.6444 -4.6437 1.7893 1.8210 2.0843 2.0982
2.7404 2.7539 3.2927 3.3624 3.4391 3.4918 3.5346 3.5599
3.7716 3.8001 3.9426 3.9746 4.0439 4.0967 4.2581 4.3804
4.4304 4.4859 4.5347 4.5697 4.6397 4.6794 4.7360 4.7915
4.8705 4.8964 4.9938 5.0467 5.1971 5.2258 5.8831 5.9508
6.2905 6.3580 6.9256 7.0119 7.2291 7.3409 10.3672 10.3951
10.8641 10.9482 12.2871 12.2982 12.4570 12.4703 13.9860 14.0558
k = 0.5000 0.2231 0.5000 ( 4108 PWs) bands (ev):
-4.9843 -4.9830 -4.6426 -4.6419 1.7918 1.8258 2.0793 2.0944
2.7012 2.7193 3.3069 3.3802 3.4542 3.5061 3.5518 3.5785
3.7777 3.8039 3.9484 3.9797 4.0458 4.1058 4.2573 4.3818
4.4320 4.4801 4.5339 4.5674 4.6370 4.6782 4.7313 4.7957
4.8706 4.9034 4.9878 5.0420 5.1897 5.2210 5.8055 5.8714
6.2626 6.3264 6.8850 6.9656 7.1787 7.2956 10.4863 10.5142
10.9823 11.0634 12.2758 12.2868 12.4962 12.5097 13.9836 14.0630
k = 0.5000 0.2385 0.5000 ( 4108 PWs) bands (ev):
-4.9761 -4.9748 -4.6407 -4.6400 1.7948 1.8311 2.0741 2.0905
2.6601 2.6833 3.3221 3.3987 3.4702 3.5205 3.5693 3.5986
3.7843 3.8074 3.9546 3.9866 4.0487 4.1160 4.2567 4.3828
4.4328 4.4747 4.5326 4.5668 4.6334 4.6769 4.7263 4.7987
4.8709 4.9094 4.9822 5.0367 5.1817 5.2157 5.7276 5.7924
6.2376 6.2984 6.8439 6.9185 7.1272 7.2485 10.6057 10.6335
11.0986 11.1750 12.2655 12.2772 12.5404 12.5594 13.9818 14.0719
k = 0.5000 0.2538 0.5000 ( 4120 PWs) bands (ev):
-4.9678 -4.9665 -4.6389 -4.6381 1.7983 1.8369 2.0689 2.0866
2.6176 2.6461 3.3383 3.4178 3.4870 3.5351 3.5868 3.6198
3.7916 3.8110 3.9606 3.9952 4.0532 4.1272 4.2562 4.3834
4.4322 4.4699 4.5309 4.5676 4.6290 4.6754 4.7210 4.8003
4.8712 4.9139 4.9773 5.0306 5.1731 5.2098 5.6503 5.7145
6.2157 6.2742 6.8024 6.8711 7.0747 7.1999 10.7239 10.7518
11.2118 11.2820 12.2571 12.2697 12.5904 12.6192 13.9804 14.0828
k = 0.5000 0.2692 0.5000 ( 4112 PWs) bands (ev):
-4.9595 -4.9582 -4.6370 -4.6363 1.8026 1.8432 2.0637 2.0828
2.5743 2.6081 3.3554 3.4373 3.5044 3.5497 3.6042 3.6416
3.7994 3.8152 3.9664 4.0049 4.0598 4.1395 4.2559 4.3838
4.4301 4.4661 4.5291 4.5696 4.6238 4.6739 4.7156 4.8010
4.8710 4.9167 4.9732 5.0237 5.1638 5.2031 5.5740 5.6385
6.1971 6.2537 6.7609 6.8237 7.0218 7.1501 10.8395 10.8676
11.3209 11.3834 12.2507 12.2646 12.6472 12.6888 13.9798 14.0959
k = 0.5000 0.2846 0.5000 ( 4108 PWs) bands (ev):
-4.9512 -4.9499 -4.6351 -4.6344 1.8075 1.8501 2.0585 2.0792
2.5304 2.5695 3.3732 3.4569 3.5222 3.5644 3.6212 3.6633
3.8076 3.8208 3.9721 4.0148 4.0690 4.1528 4.2560 4.3837
4.4268 4.4633 4.5273 4.5722 4.6179 4.6724 4.7097 4.8008
4.8701 4.9177 4.9702 5.0161 5.1538 5.1955 5.4994 5.5650
6.1820 6.2372 6.7199 6.7767 6.9686 7.0994 10.9508 10.9793
11.4251 11.4789 12.2467 12.2619 12.7114 12.7680 13.9798 14.1110
k = 0.5000 0.3000 0.5000 ( 4120 PWs) bands (ev):
-4.9431 -4.9418 -4.6333 -4.6326 1.8132 1.8576 2.0533 2.0757
2.4863 2.5306 3.3916 3.4765 3.5402 3.5790 3.6375 3.6840
3.8159 3.8287 3.9779 4.0242 4.0809 4.1670 4.2564 4.3831
4.4225 4.4613 4.5256 4.5749 4.6116 4.6709 4.7034 4.8000
4.8682 4.9170 4.9680 5.0075 5.1428 5.1867 5.4272 5.4950
6.1704 6.2245 6.6797 6.7306 6.9155 7.0482 11.0560 11.0853
11.5237 11.5689 12.2448 12.2619 12.7832 12.8562 13.9807 14.1282
k = 0.5000 0.3154 0.5000 ( 4120 PWs) bands (ev):
-4.9351 -4.9339 -4.6316 -4.6309 1.8197 1.8658 2.0482 2.0725
2.4425 2.4917 3.4104 3.4957 3.5582 3.5936 3.6528 3.7027
3.8249 3.8392 3.9839 4.0332 4.0949 4.1821 4.2575 4.3819
4.4180 4.4600 4.5239 4.5770 4.6056 4.6694 4.6967 4.7986
4.8650 4.9149 4.9663 4.9980 5.1308 5.1764 5.3580 5.4295
6.1625 6.2156 6.6408 6.6858 6.8628 6.9967 11.1535 11.1837
11.6163 11.6544 12.2452 12.2647 12.8626 12.9525 13.9823 14.1471
k = 0.5000 0.3308 0.5000 ( 4120 PWs) bands (ev):
-4.9275 -4.9263 -4.6299 -4.6292 1.8271 1.8747 2.0431 2.0697
2.3993 2.4532 3.4295 3.5143 3.5760 3.6081 3.6669 3.7183
3.8359 3.8517 3.9905 4.0425 4.1103 4.1978 4.2595 4.3798
4.4139 4.4592 4.5221 4.5773 4.6009 4.6678 4.6897 4.7966
4.8605 4.9116 4.9648 4.9875 5.1176 5.1641 5.2931 5.3695
6.1583 6.2107 6.6035 6.6428 6.8107 6.9453 11.2417 11.2725
11.7027 11.7368 12.2476 12.2703 12.9488 13.0558 13.9847 14.1669
k = 0.5000 0.3462 0.5000 ( 4112 PWs) bands (ev):
-4.9202 -4.9191 -4.6282 -4.6276 1.8356 1.8844 2.0381 2.0673
2.3569 2.4153 3.4485 3.5316 3.5933 3.6227 3.6797 3.7303
3.8493 3.8656 3.9979 4.0527 4.1260 4.2136 4.2627 4.3766
4.4108 4.4590 4.5202 4.5743 4.5989 4.6653 4.6827 4.7941
4.8545 4.9070 4.9624 4.9766 5.1030 5.1489 5.2340 5.3163
6.1577 6.2094 6.5684 6.6018 6.7594 6.8943 11.3195 11.3503
11.7830 11.8171 12.2517 12.2786 13.0412 13.1643 13.9877 14.1856
k = 0.5000 0.3615 0.5000 ( 4112 PWs) bands (ev):
-4.9133 -4.9123 -4.6267 -4.6262 1.8451 1.8947 2.0332 2.0653
2.3157 2.3782 3.4672 3.5474 3.6100 3.6372 3.6911 3.7386
3.8645 3.8801 4.0067 4.0646 4.1412 4.2285 4.2675 4.3722
4.4090 4.4593 4.5180 4.5683 4.5992 4.6608 4.6772 4.7908
4.8468 4.9003 4.9565 4.9682 5.0869 5.1287 5.1846 5.2709
6.1608 6.2119 6.5356 6.5635 6.7093 6.8439 11.3865 11.4164
11.8577 11.8949 12.2573 12.2894 13.1385 13.2765 13.9914 14.1994
k = 0.5000 0.3769 0.5000 ( 4116 PWs) bands (ev):
-4.9070 -4.9060 -4.6253 -4.6248 1.8557 1.9058 2.0284 2.0640
2.2760 2.3423 3.4855 3.5612 3.6261 3.6515 3.7011 3.7438
3.8802 3.8946 4.0175 4.0785 4.1556 4.2413 4.2742 4.3668
4.4087 4.4603 4.5156 4.5610 4.5999 4.6530 4.6742 4.7869
4.8372 4.8896 4.9462 4.9644 5.0696 5.1002 5.1501 5.2336
6.1674 6.2177 6.5054 6.5284 6.6604 6.7944 11.4428 11.4708
11.9270 11.9689 12.2642 12.3025 13.2394 13.3905 13.9954 14.2026
k = 0.5000 0.3923 0.5000 ( 4112 PWs) bands (ev):
-4.9012 -4.9003 -4.6241 -4.6236 1.8676 1.9175 2.0236 2.0634
2.2379 2.3077 3.5030 3.5726 3.6415 3.6656 3.7099 3.7467
3.8949 3.9081 4.0311 4.0948 4.1688 4.2509 4.2825 4.3611
4.4098 4.4619 4.5131 4.5535 4.5998 4.6432 4.6731 4.7824
4.8255 4.8722 4.9373 4.9623 5.0510 5.0686 5.1284 5.2035
6.1774 6.2268 6.4774 6.4976 6.6130 6.7462 11.4892 11.5145
11.9903 12.0374 12.2722 12.3175 13.3424 13.5047 13.9995 14.1957
k = 0.5000 0.4077 0.5000 ( 4120 PWs) bands (ev):
-4.8960 -4.8952 -4.6229 -4.6225 1.8806 1.9298 2.0188 2.0636
2.2019 2.2747 3.5195 3.5815 3.6562 3.6790 3.7174 3.7477
3.9075 3.9198 4.0481 4.1133 4.1810 4.2567 4.2908 4.3558
4.4122 4.4640 4.5112 4.5461 4.5972 4.6333 4.6727 4.7775
4.8115 4.8480 4.9326 4.9605 5.0304 5.0436 5.1131 5.1792
6.1908 6.2387 6.4509 6.4726 6.5674 6.6995 11.5267 11.5486
12.0464 12.0983 12.2818 12.3338 13.4456 13.6176 14.0032 14.1847
k = 0.5000 0.4231 0.5000 ( 4120 PWs) bands (ev):
-4.8915 -4.8909 -4.6219 -4.6216 1.8948 1.9425 2.0138 2.0645
2.1685 2.2435 3.5347 3.5879 3.6700 3.6915 3.7237 3.7472
3.9177 3.9291 4.0685 4.1334 4.1921 4.2589 4.2966 4.3517
4.4160 4.4662 4.5103 4.5393 4.5904 4.6259 4.6725 4.7722
4.7941 4.8219 4.9317 4.9592 5.0102 5.0257 5.1018 5.1590
6.2074 6.2530 6.4258 6.4543 6.5236 6.6547 11.5564 11.5748
12.0943 12.1491 12.2938 12.3503 13.5472 13.7275 14.0061 14.1741
k = 0.5000 0.4385 0.5000 ( 4120 PWs) bands (ev):
-4.8878 -4.8873 -4.6211 -4.6208 1.9101 1.9555 2.0088 2.0656
2.1388 2.2143 3.5484 3.5919 3.6829 3.7027 3.7286 3.7456
3.9257 3.9358 4.0917 4.1541 4.2022 4.2571 4.2990 4.3487
4.4214 4.4680 4.5100 4.5339 4.5804 4.6210 4.6725 4.7650
4.7732 4.8012 4.9338 4.9582 4.9940 5.0108 5.0939 5.1417
6.2270 6.2688 6.4025 6.4426 6.4821 6.6121 11.5795 11.5941
12.1337 12.1867 12.3098 12.3656 13.6448 13.8325 14.0076 14.1664
k = 0.5000 0.4538 0.5000 ( 4120 PWs) bands (ev):
-4.8848 -4.8844 -4.6204 -4.6202 1.9262 1.9682 2.0035 2.0643
2.1160 2.1874 3.5605 3.5936 3.6946 3.7122 3.7320 3.7430
3.9319 3.9400 4.1165 4.1738 4.2107 4.2511 4.2994 4.3450
4.4286 4.4690 4.5083 4.5304 4.5717 4.6164 4.6729 4.7427
4.7654 4.7871 4.9381 4.9578 4.9819 4.9973 5.0895 5.1269
6.2495 6.2855 6.3817 6.4332 6.4476 6.5723 11.5969 11.6078
12.1650 12.2099 12.3299 12.3780 13.7355 13.9277 14.0092 14.1639
k = 0.5000 0.4692 0.5000 ( 4112 PWs) bands (ev):
-4.8827 -4.8824 -4.6200 -4.6198 1.9426 1.9792 1.9995 2.0545
2.1071 2.1632 3.5709 3.5931 3.7050 3.7194 3.7337 3.7398
3.9365 3.9423 4.1416 4.1898 4.2163 4.2418 4.3014 4.3385
4.4377 4.4688 4.5054 4.5262 4.5700 4.6096 4.6748 4.7194
4.7630 4.7770 4.9445 4.9583 4.9732 4.9848 5.0886 5.1143
6.2748 6.3019 6.3634 6.4018 6.4453 6.5359 11.6093 11.6165
12.1888 12.2207 12.3512 12.3856 13.8156 13.9751 14.0445 14.1689
k = 0.5000 0.4846 0.5000 ( 4096 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9582 1.9805 2.0044 2.0370
2.1121 2.1422 3.5794 3.5905 3.7140 3.7230 3.7340 3.7370
3.9399 3.9429 4.1654 4.1962 4.2193 4.2325 4.3074 4.3288
4.4477 4.4652 4.5055 4.5187 4.5766 4.5996 4.6795 4.7012
4.7629 4.7699 4.9524 4.9598 4.9671 4.9732 5.0908 5.1040
6.3027 6.3176 6.3470 6.3670 6.4570 6.5037 11.6172 11.6208
12.2060 12.2224 12.3693 12.3871 13.8815 13.9625 14.1201 14.1821
k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.4911 0.4911 0.4911 ( 4092 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9521 1.9923 2.0039 2.0338
2.1191 2.1330 3.5762 3.5944 3.7116 3.7294 3.7326 3.7341
3.9406 3.9422 4.1702 4.1960 4.2118 4.2358 4.3062 4.3324
4.4415 4.4730 4.5054 4.5162 4.5853 4.5920 4.6712 4.7081
4.7629 4.7664 4.9553 4.9595 4.9669 4.9706 5.0930 5.1051
6.2974 6.3228 6.3385 6.3758 6.4520 6.5083 11.6141 11.6146
12.2022 12.2303 12.3651 12.3963 13.9124 13.9387 14.1716 14.1804
k = 0.4821 0.4821 0.4821 ( 4104 PWs) bands (ev):
-4.8827 -4.8824 -4.6200 -4.6198 1.9341 1.9889 2.0145 2.0477
2.1155 2.1443 3.5655 3.6012 3.7022 3.7273 3.7298 3.7377
3.9380 3.9409 4.1518 4.1960 4.1986 4.2435 4.3015 4.3478
4.4257 4.4872 4.5013 4.5210 4.5850 4.5974 4.6579 4.7300
4.7599 4.7669 4.9506 4.9569 4.9749 4.9782 5.0959 5.1192
6.2602 6.3130 6.3510 6.4169 6.4375 6.5434 11.5941 11.5951
12.1854 12.2414 12.3468 12.4088 13.8859 13.9349 14.1450 14.1549
k = 0.4732 0.4732 0.4732 ( 4104 PWs) bands (ev):
-4.8849 -4.8845 -4.6205 -4.6203 1.9176 1.9745 2.0381 2.0606
2.1137 2.1588 3.5538 3.6058 3.6924 3.7197 3.7223 3.7458
3.9344 3.9383 4.1323 4.1782 4.1934 4.2481 4.3041 4.3618
4.4104 4.4994 4.4996 4.5243 4.5872 4.6039 4.6488 4.7522
4.7564 4.7674 4.9461 4.9576 4.9854 4.9870 5.1043 5.1375
6.2246 6.2971 6.3684 6.4372 6.4592 6.5812 11.5616 11.5631
12.1672 12.2504 12.3270 12.4188 13.8521 13.9167 14.1048 14.1172
k = 0.4643 0.4643 0.4643 ( 4104 PWs) bands (ev):
-4.8880 -4.8875 -4.6212 -4.6209 1.9027 1.9610 2.0630 2.0722
2.1135 2.1766 3.5413 3.6073 3.6823 3.7110 3.7117 3.7537
3.9297 3.9343 4.1125 4.1587 4.1831 4.2495 4.3112 4.3727
4.3964 4.5000 4.5095 4.5259 4.5917 4.6110 4.6440 4.7530
4.7684 4.7725 4.9417 4.9627 4.9977 4.9984 5.1171 5.1588
6.1904 6.2750 6.3914 6.4508 6.5027 6.6210 11.5175 11.5196
12.1479 12.2572 12.3060 12.4263 13.8116 13.8826 14.0539 14.0762
k = 0.4554 0.4554 0.4554 ( 4122 PWs) bands (ev):
-4.8919 -4.8913 -4.6221 -4.6217 1.8892 1.9484 2.0829 2.0890
2.1146 2.1974 3.5281 3.6044 3.6716 3.6983 3.7030 3.7612
3.9241 3.9289 4.0931 4.1381 4.1709 4.2478 4.3198 4.3801
4.3837 4.5033 4.5167 4.5261 4.5978 4.6185 4.6432 4.7503
4.7706 4.7886 4.9377 4.9721 5.0121 5.0143 5.1331 5.1820
6.1577 6.2493 6.4199 6.4758 6.5471 6.6625 11.4632 11.4659
12.1277 12.2617 12.2840 12.4309 13.7644 13.8326 13.9952 14.0326
k = 0.4464 0.4464 0.4464 ( 4122 PWs) bands (ev):
-4.8967 -4.8959 -4.6232 -4.6228 1.8774 1.9372 2.0931 2.1163
2.1171 2.2207 3.5144 3.5960 3.6607 3.6826 3.6974 3.7686
3.9176 3.9222 4.0746 4.1167 4.1586 4.2432 4.3278 4.3727
4.3843 4.5085 4.5213 4.5256 4.6049 4.6264 4.6462 4.7488
4.7745 4.7993 4.9342 4.9836 5.0331 5.0336 5.1511 5.2064
6.1265 6.2222 6.4538 6.5099 6.5925 6.7055 11.4003 11.4034
12.1072 12.2613 12.2639 12.4325 13.7102 13.7688 13.9319 13.9872
k = 0.4375 0.4375 0.4375 ( 4113 PWs) bands (ev):
-4.9022 -4.9014 -4.6245 -4.6240 1.8672 1.9273 2.1032 2.1208
2.1448 2.2461 3.5002 3.5818 3.6494 3.6649 3.6950 3.7757
3.9103 3.9145 4.0574 4.0950 4.1470 4.2361 4.3341 4.3634
4.3861 4.5148 4.5237 4.5251 4.6125 4.6344 4.6518 4.7484
4.7803 4.8050 4.9312 4.9941 5.0550 5.0643 5.1702 5.2311
6.0970 6.1948 6.4929 6.5517 6.6386 6.7501 11.3302 11.3338
12.0866 12.2381 12.2637 12.4309 13.6484 13.6941 13.8673 13.9406
k = 0.4286 0.4286 0.4286 ( 4119 PWs) bands (ev):
-4.9085 -4.9076 -4.6260 -4.6254 1.8586 1.9188 2.1134 2.1257
2.1743 2.2733 3.4857 3.5629 3.6378 3.6458 3.6952 3.7826
3.9022 3.9058 4.0415 4.0734 4.1364 4.2269 4.3380 4.3554
4.3864 4.5213 4.5245 4.5250 4.6203 4.6423 4.6587 4.7493
4.7880 4.8072 4.9289 5.0029 5.0796 5.1032 5.1894 5.2554
6.0691 6.1678 6.5363 6.5999 6.6854 6.7961 11.2547 11.2586
12.0661 12.2146 12.2609 12.4260 13.5782 13.6109 13.8041 13.8932
k = 0.4196 0.4196 0.4196 ( 4113 PWs) bands (ev):
-4.9157 -4.9147 -4.6277 -4.6270 1.8516 1.9118 2.1240 2.1317
2.2048 2.3020 3.4709 3.5410 3.6259 3.6260 3.6973 3.7892
3.8936 3.8964 4.0269 4.0521 4.1268 4.2161 4.3393 4.3486
4.3861 4.5243 4.5257 4.5275 4.6281 4.6500 4.6660 4.7510
4.7974 4.8077 4.9272 5.0105 5.1070 5.1481 5.2082 5.2791
6.0429 6.1416 6.5835 6.6539 6.7327 6.8437 11.1754 11.1797
12.0460 12.1911 12.2555 12.4178 13.4997 13.5213 13.7442 13.8457
k = 0.4107 0.4107 0.4107 ( 4113 PWs) bands (ev):
-4.9236 -4.9225 -4.6296 -4.6288 1.8463 1.9063 2.1352 2.1390
2.2363 2.3319 3.4560 3.5174 3.6056 3.6140 3.7003 3.7953
3.8843 3.8864 4.0135 4.0315 4.1181 4.2041 4.3380 4.3428
4.3857 4.5233 4.5275 4.5334 4.6359 4.6572 4.6727 4.7534
4.8077 4.8083 4.9262 5.0172 5.1369 5.1972 5.2261 5.3016
6.0186 6.1165 6.6333 6.7124 6.7803 6.8931 11.0940 11.0984
12.0265 12.1679 12.2474 12.4060 13.4137 13.4270 13.6882 13.7985
k = 0.4018 0.4018 0.4018 ( 4113 PWs) bands (ev):
-4.9322 -4.9312 -4.6317 -4.6307 1.8427 1.9025 2.1471 2.1475
2.2687 2.3629 3.4412 3.4931 3.5855 3.6020 3.7037 3.8010
3.8747 3.8761 4.0010 4.0119 4.1101 4.1914 4.3342 4.3378
4.3854 4.5218 4.5306 4.5389 4.6435 4.6640 4.6781 4.7561
4.8083 4.8202 4.9257 5.0233 5.1689 5.2430 5.2491 5.3231
5.9963 6.0925 6.6846 6.7746 6.8281 6.9442 11.0121 11.0166
12.0079 12.1451 12.2364 12.3908 13.3218 13.3291 13.6361 13.7519
k = 0.3929 0.3929 0.3929 ( 4110 PWs) bands (ev):
-4.9416 -4.9405 -4.6340 -4.6328 1.8407 1.9003 2.1572 2.1599
2.3019 2.3948 3.4265 3.4689 3.5659 3.5900 3.7072 3.8060
3.8647 3.8658 3.9894 3.9935 4.1026 4.1784 4.3284 4.3333
4.3856 4.5197 4.5349 4.5442 4.6510 4.6701 4.6818 4.7590
4.8102 4.8328 4.9257 5.0288 5.2025 5.2586 5.3026 5.3436
5.9763 6.0700 6.7363 6.8393 6.8759 6.9970 10.9310 10.9355
11.9905 12.1232 12.2227 12.3722 13.2256 13.2289 13.5876 13.7061
k = 0.3839 0.3839 0.3839 ( 4104 PWs) bands (ev):
-4.9517 -4.9507 -4.6364 -4.6351 1.8404 1.8998 2.1681 2.1735
2.3359 2.4275 3.4121 3.4455 3.5473 3.5781 3.7105 3.8099
3.8545 3.8557 3.9768 3.9784 4.0955 4.1651 4.3210 4.3294
4.3864 4.5172 4.5403 4.5495 4.6581 4.6756 4.6838 4.7620
4.8137 4.8459 4.9263 5.0340 5.2368 5.2730 5.3566 5.3633
5.9590 6.0491 6.7871 6.9051 6.9235 7.0514 10.8523 10.8568
11.9743 12.1022 12.2061 12.3501 13.1265 13.1272 13.5423 13.6615
k = 0.3750 0.3750 0.3750 ( 4095 PWs) bands (ev):
-4.9626 -4.9615 -4.6389 -4.6374 1.8418 1.9010 2.1804 2.1881
2.3705 2.4609 3.3982 3.4232 3.5298 3.5665 3.7132 3.8125
3.8440 3.8461 3.9622 3.9679 4.0887 4.1519 4.3124 4.3258
4.3880 4.5143 4.5468 4.5551 4.6649 4.6804 4.6842 4.7651
4.8187 4.8590 4.9273 5.0387 5.2710 5.2861 5.3829 5.4098
5.9450 6.0301 6.8361 6.9707 6.9709 7.1069 10.7774 10.7819
11.9598 12.0826 12.1866 12.3248 13.0249 13.0257 13.5001 13.6158
k = 0.3661 0.3661 0.3661 ( 4089 PWs) bands (ev):
-4.9741 -4.9731 -4.6416 -4.6399 1.8449 1.9039 2.1939 2.2037
2.4056 2.4947 3.3849 3.4024 3.5138 3.5553 3.7152 3.8133
3.8335 3.8373 3.9502 3.9576 4.0820 4.1387 4.3029 4.3225
4.3903 4.5109 4.5541 4.5609 4.6710 4.6834 4.6844 4.7683
4.8248 4.8718 4.9289 5.0431 5.2980 5.3036 5.4030 5.4609
5.9355 6.0133 6.8826 7.0174 7.0350 7.1626 10.7076 10.7120
11.9470 12.0645 12.1644 12.2964 12.9230 12.9246 13.4608 13.5303
k = 0.3571 0.3571 0.3571 ( 4083 PWs) bands (ev):
-4.9863 -4.9854 -4.6443 -4.6424 1.8497 1.9085 2.2088 2.2205
2.4412 2.5290 3.3723 3.3832 3.4992 3.5445 3.7162 3.8118
3.8230 3.8297 3.9413 3.9477 4.0754 4.1258 4.2930 4.3194
4.3934 4.5072 4.5621 4.5671 4.6766 4.6821 4.6877 4.7717
4.8317 4.8841 4.9309 5.0472 5.3088 5.3331 5.4247 5.5080
5.9318 5.9992 6.9259 7.0632 7.0961 7.2175 10.6441 10.6484
11.9363 12.0481 12.1394 12.2650 12.8220 12.8239 13.4246 13.4382
k = 0.3482 0.3482 0.3482 ( 4092 PWs) bands (ev):
-4.9993 -4.9983 -4.6470 -4.6450 1.8562 1.9148 2.2250 2.2383
2.4771 2.5635 3.3606 3.3659 3.4863 3.5343 3.7159 3.8077
3.8124 3.8234 3.9357 3.9378 4.0687 4.1131 4.2829 4.3162
4.3972 4.5031 4.5707 4.5737 4.6805 4.6814 4.6903 4.7753
4.8390 4.8954 4.9338 5.0510 5.3186 5.3580 5.4485 5.5486
5.9360 5.9881 6.9658 7.1079 7.1526 7.2701 10.5881 10.5922
11.9278 12.0338 12.1118 12.2309 12.7231 12.7246 13.3401 13.3916
k = 0.3393 0.3393 0.3393 ( 4101 PWs) bands (ev):
-5.0128 -5.0120 -4.6497 -4.6476 1.8642 1.9228 2.2426 2.2572
2.5132 2.5981 3.3500 3.3506 3.4749 3.5247 3.7142 3.8013
3.8019 3.8188 3.9282 3.9333 4.0620 4.1008 4.2728 4.3130
4.4018 4.4988 4.5798 4.5807 4.6792 4.6856 4.6922 4.7794
4.8464 4.9050 4.9379 5.0546 5.3275 5.3780 5.4738 5.5804
5.9500 5.9810 7.0019 7.1514 7.2031 7.3193 10.5405 10.5444
11.9217 12.0216 12.0815 12.1941 12.6270 12.6279 13.2363 13.3617
k = 0.3304 0.3304 0.3304 ( 4101 PWs) bands (ev):
-5.0271 -5.0263 -4.6524 -4.6501 1.8740 1.9325 2.2616 2.2773
2.5495 2.6327 3.3373 3.3405 3.4652 3.5158 3.7113 3.7915
3.7930 3.8158 3.9188 3.9336 4.0552 4.0889 4.2630 4.3097
4.4072 4.4945 4.5883 4.5892 4.6784 4.6892 4.6936 4.7840
4.8536 4.9123 4.9438 5.0580 5.3357 5.3941 5.4989 5.6019
5.9751 5.9785 7.0340 7.1935 7.2461 7.3635 10.5019 10.5055
11.9183 12.0118 12.0486 12.1548 12.5346 12.5347 13.1277 13.2962
k = 0.3214 0.3214 0.3214 ( 4098 PWs) bands (ev):
-5.0419 -5.0412 -4.6551 -4.6526 1.8854 1.9440 2.2819 2.2985
2.5858 2.6672 3.3261 3.3323 3.4571 3.5077 3.7072 3.7814
3.7834 3.8142 3.9095 3.9360 4.0484 4.0775 4.2534 4.3060
4.4132 4.4904 4.5963 4.5988 4.6782 4.6925 4.6945 4.7890
4.8604 4.9172 4.9515 5.0613 5.3433 5.4071 5.5218 5.6135
5.9813 6.0105 7.0619 7.2339 7.2805 7.4018 10.4725 10.4757
11.9176 12.0044 12.0131 12.1134 12.4461 12.4476 13.0148 13.1778
k = 0.3125 0.3125 0.3125 ( 4092 PWs) bands (ev):
-5.0574 -5.0567 -4.6576 -4.6550 1.8984 1.9571 2.3036 2.3208
2.6219 2.7015 3.3170 3.3254 3.4506 3.5004 3.7024 3.7714
3.7730 3.8139 3.9005 3.9399 4.0416 4.0666 4.2441 4.3020
4.4199 4.4867 4.6047 4.6084 4.6790 4.6950 4.6957 4.7945
4.8668 4.9200 4.9605 5.0644 5.3503 5.4181 5.5408 5.6168
5.9901 6.0543 7.0852 7.2724 7.3055 7.4335 10.4518 10.4545
11.9198 11.9751 11.9986 12.0704 12.3638 12.3669 12.8987 13.0532
k = 0.3036 0.3036 0.3036 ( 4104 PWs) bands (ev):
-5.0734 -5.0727 -4.6600 -4.6573 1.9130 1.9719 2.3266 2.3443
2.6578 2.7353 3.3099 3.3198 3.4454 3.4940 3.6971 3.7618
3.7624 3.8145 3.8917 3.9446 4.0347 4.0563 4.2352 4.2975
4.4271 4.4834 4.6133 4.6178 4.6805 4.6952 4.6990 4.8004
4.8726 4.9213 4.9700 5.0674 5.3569 5.4276 5.5547 5.6140
6.0051 6.1040 7.1033 7.3087 7.3204 7.4583 10.4387 10.4408
11.9248 11.9345 11.9903 12.0302 12.2896 12.2942 12.7805 12.9248
k = 0.2946 0.2946 0.2946 ( 4104 PWs) bands (ev):
-5.0899 -5.0893 -4.6623 -4.6594 1.9291 1.9884 2.3508 2.3688
2.6932 2.7687 3.3049 3.3157 3.4417 3.4885 3.6917 3.7519
3.7525 3.8156 3.8834 3.9498 4.0279 4.0468 4.2267 4.2927
4.4347 4.4809 4.6220 4.6267 4.6830 4.6952 4.7029 4.8067
4.8777 4.9218 4.9796 5.0702 5.3631 5.4359 5.5636 5.6070
6.0259 6.1573 7.1158 7.3251 7.3428 7.4765 10.4314 10.4327
11.8910 11.9322 11.9601 12.0116 12.2257 12.2314 12.6621 12.7945
k = 0.2857 0.2857 0.2857 ( 4098 PWs) bands (ev):
-5.1069 -5.1064 -4.6644 -4.6614 1.9468 2.0064 2.3763 2.3943
2.7280 2.8013 3.3018 3.3130 3.4393 3.4840 3.6864 3.7418
3.7436 3.8171 3.8754 3.9550 4.0214 4.0383 4.2185 4.2874
4.4428 4.4792 4.6306 4.6351 4.6864 4.6955 4.7077 4.8134
4.8822 4.9214 4.9891 5.0728 5.3691 5.4434 5.5676 5.5971
6.0517 6.2128 7.1222 7.3198 7.3744 7.4886 10.4273 10.4275
11.8443 11.9114 11.9409 12.0104 12.1751 12.1801 12.5460 12.6645
k = 0.2768 0.2768 0.2768 ( 4104 PWs) bands (ev):
-5.1243 -5.1238 -4.6663 -4.6632 1.9659 2.0260 2.4029 2.4206
2.7621 2.8331 3.3005 3.3117 3.4382 3.4804 3.6815 3.7320
3.7353 3.8188 3.8679 3.9594 4.0150 4.0312 4.2106 4.2819
4.4511 4.4783 4.6386 4.6427 4.6907 4.6961 4.7136 4.8204
4.8861 4.9204 4.9983 5.0754 5.3749 5.4501 5.5677 5.5854
6.0813 6.2690 7.1217 7.3052 7.4034 7.4958 10.4221 10.4229
11.7940 11.8569 11.9476 12.0115 12.1409 12.1422 12.4374 12.5379
k = 0.2679 0.2679 0.2679 ( 4104 PWs) bands (ev):
-5.1421 -5.1417 -4.6680 -4.6648 1.9864 2.0472 2.4305 2.4478
2.7952 2.8640 3.3010 3.3117 3.4382 3.4778 3.6771 3.7229
3.7275 3.8204 3.8611 3.9623 4.0089 4.0262 4.2030 4.2762
4.4596 4.4783 4.6458 4.6495 4.6959 4.6977 4.7208 4.8277
4.8894 4.9188 5.0071 5.0777 5.3806 5.4559 5.5650 5.5724
6.1137 6.3252 7.1142 7.2821 7.4297 7.4992 10.4128 10.4148
11.7397 11.7985 11.9433 12.0077 12.1210 12.1261 12.3458 12.4210
k = 0.2589 0.2589 0.2589 ( 4109 PWs) bands (ev):
-5.1602 -5.1599 -4.6694 -4.6662 2.0083 2.0699 2.4590 2.4758
2.8273 2.8937 3.3032 3.3131 3.4393 3.4760 3.6733 3.7145
3.7203 3.8220 3.8548 3.9628 4.0032 4.0240 4.1957 4.2707
4.4682 4.4792 4.6516 4.6555 4.7007 4.7018 4.7292 4.8353
4.8920 4.9166 5.0155 5.0798 5.3861 5.4608 5.5587 5.5604
6.1477 6.3807 7.0994 7.2516 7.4530 7.4999 10.3966 10.3996
11.6813 11.7366 11.9102 11.9868 12.1227 12.1331 12.2854 12.3266
k = 0.2500 0.2500 0.2500 ( 4094 PWs) bands (ev):
-5.1786 -5.1783 -4.6707 -4.6674 2.0316 2.0940 2.4883 2.5042
2.8581 2.9223 3.3071 3.3159 3.4414 3.4753 3.6703 3.7067
3.7139 3.8235 3.8493 3.9604 3.9979 4.0251 4.1887 4.2656
4.4768 4.4809 4.6557 4.6610 4.7055 4.7085 4.7387 4.8432
4.8942 4.9140 5.0235 5.0817 5.3917 5.4644 5.5446 5.5553
6.1824 6.4350 7.0777 7.2151 7.4735 7.4989 10.3710 10.3748
11.6192 11.6712 11.8387 11.9313 12.1500 12.1632 12.2656 12.2729
k = 0.2411 0.2411 0.2411 ( 4100 PWs) bands (ev):
-5.1972 -5.1969 -4.6717 -4.6683 2.0560 2.1195 2.5181 2.5331
2.8875 2.9495 3.3124 3.3199 3.4444 3.4755 3.6679 3.6996
3.7082 3.8248 3.8446 3.9552 3.9929 4.0292 4.1820 4.2608
4.4834 4.4851 4.6582 4.6659 4.7118 4.7158 4.7491 4.8513
4.8959 4.9108 5.0311 5.0834 5.3972 5.4660 5.5304 5.5507
6.2169 6.4875 7.0498 7.1737 7.4909 7.4965 10.3346 10.3389
11.5536 11.6023 11.7399 11.8394 12.1954 12.2162 12.2627 12.2833
k = 0.2321 0.2321 0.2321 ( 4094 PWs) bands (ev):
-5.2159 -5.2157 -4.6724 -4.6691 2.0817 2.1463 2.5483 2.5622
2.9153 2.9753 3.3192 3.3252 3.4482 3.4766 3.6662 3.6933
3.7033 3.8259 3.8408 3.9481 3.9882 4.0355 4.1757 4.2567
4.4865 4.4930 4.6596 4.6706 4.7193 4.7236 4.7600 4.8596
4.8973 4.9073 5.0382 5.0848 5.4028 5.4651 5.5162 5.5479
6.2506 6.5381 7.0167 7.1288 7.4932 7.5053 10.2871 10.2917
11.4849 11.5296 11.6275 11.7270 12.2474 12.2811 12.2910 12.3364
k = 0.2232 0.2232 0.2232 ( 4094 PWs) bands (ev):
-5.2346 -5.2344 -4.6729 -4.6696 2.1085 2.1744 2.5788 2.5914
2.9415 2.9996 3.3274 3.3318 3.4526 3.4786 3.6652 3.6875
3.6993 3.8269 3.8379 3.9396 3.9838 4.0434 4.1701 4.2534
4.4903 4.5003 4.6607 4.6751 4.7274 4.7320 4.7714 4.8681
4.8983 4.9033 5.0449 5.0859 5.4084 5.4612 5.5024 5.5475
6.2830 6.5863 6.9796 7.0818 7.4890 7.5167 10.2293 10.2338
11.4135 11.4527 11.5093 11.6071 12.3002 12.3165 12.3858 12.4216
k = 0.2143 0.2143 0.2143 ( 4091 PWs) bands (ev):
-5.2534 -5.2532 -4.6732 -4.6699 2.1364 2.2036 2.6092 2.6204
2.9657 3.0224 3.3368 3.3396 3.4577 3.4814 3.6649 3.6824
3.6962 3.8278 3.8361 3.9304 3.9796 4.0523 4.1652 4.2508
4.4946 4.5067 4.6618 4.6795 4.7356 4.7406 4.7828 4.8769
4.8989 4.8992 5.0511 5.0866 5.4140 5.4547 5.4891 5.5496
6.3135 6.6320 6.9398 7.0338 7.4838 7.5251 10.1623 10.1664
11.3397 11.3705 11.3892 11.4873 12.3568 12.3633 12.4981 12.5303
k = 0.2054 0.2054 0.2054 ( 4091 PWs) bands (ev):
-5.2720 -5.2719 -4.6733 -4.6700 2.1652 2.2340 2.6394 2.6489
2.9880 3.0435 3.3474 3.3487 3.4631 3.4850 3.6650 3.6779
3.6941 3.8287 3.8354 3.9207 3.9755 4.0621 4.1611 4.2490
4.4994 4.5120 4.6635 4.6836 4.7437 4.7495 4.7941 4.8859
4.8943 4.8998 5.0567 5.0870 5.4195 5.4461 5.4766 5.5538
6.3419 6.6750 6.8987 6.9864 7.4775 7.5306 10.0874 10.0909
11.2639 11.2694 11.2805 11.3733 12.4193 12.4196 12.6255 12.6562
k = 0.1964 0.1964 0.1964 ( 4091 PWs) bands (ev):
-5.2905 -5.2904 -4.6731 -4.6699 2.1948 2.2653 2.6691 2.6769
3.0083 3.0630 3.3590 3.3591 3.4690 3.4893 3.6655 3.6739
3.6930 3.8296 3.8359 3.9108 3.9714 4.0726 4.1582 4.2480
4.5045 4.5160 4.6662 4.6874 4.7513 4.7585 4.8048 4.8894
4.8952 4.9004 5.0618 5.0871 5.4249 5.4362 5.4649 5.5593
6.3677 6.7152 6.8575 6.9407 7.4699 7.5331 10.0060 10.0087
11.1511 11.1798 11.1864 11.2698 12.4833 12.4890 12.7654 12.7954
k = 0.1875 0.1875 0.1875 ( 4085 PWs) bands (ev):
-5.3088 -5.3087 -4.6728 -4.6696 2.2253 2.2975 2.6980 2.7040
3.0263 3.0809 3.3706 3.3721 3.4751 3.4942 3.6662 3.6704
3.6929 3.8305 3.8376 3.9009 3.9674 4.0836 4.1565 4.2475
4.5100 4.5185 4.6702 4.6910 4.7582 4.7675 4.8149 4.8844
4.9011 4.9047 5.0662 5.0870 5.4257 5.4300 5.4543 5.5655
6.3907 6.7524 6.8176 6.8981 7.4611 7.5329 9.9193 9.9211
11.0354 11.0708 11.1076 11.1761 12.5548 12.5652 12.9157 12.9454
k = 0.1786 0.1786 0.1786 ( 4091 PWs) bands (ev):
-5.3268 -5.3267 -4.6723 -4.6691 2.2565 2.3306 2.7258 2.7300
3.0422 3.0971 3.3834 3.3860 3.4814 3.4996 3.6670 3.6674
3.6937 3.8314 3.8405 3.8913 3.9635 4.0951 4.1562 4.2476
4.5155 4.5193 4.6755 4.6942 4.7643 4.7764 4.8238 4.8793
4.9018 4.9145 5.0699 5.0865 5.4149 5.4347 5.4450 5.5718
6.4105 6.7799 6.7867 6.8599 7.4508 7.5301 9.8284 9.8291
10.9229 10.9592 11.0279 11.0875 12.6334 12.6478 13.0741 13.1039
k = 0.1696 0.1696 0.1696 ( 4073 PWs) bands (ev):
-5.3443 -5.3443 -4.6716 -4.6685 2.2883 2.3644 2.7524 2.7547
3.0557 3.1117 3.3976 3.4010 3.4879 3.5054 3.6649 3.6677
3.6954 3.8323 3.8448 3.8821 3.9600 4.1069 4.1573 4.2481
4.5185 4.5210 4.6823 4.6970 4.7697 4.7852 4.8315 4.8741
4.9027 4.9244 5.0730 5.0859 5.4044 5.4371 5.4388 5.5775
6.4271 6.7458 6.8181 6.8274 7.4392 7.5247 9.7337 9.7341
10.8142 10.8488 10.9478 11.0014 12.7188 12.7368 13.2389 13.2688
k = 0.1607 0.1607 0.1607 ( 4079 PWs) bands (ev):
-5.3615 -5.3614 -4.6708 -4.6678 2.3206 2.3987 2.7775 2.7778
3.0669 3.1246 3.4130 3.4170 3.4945 3.5113 3.6629 3.6680
3.6980 3.8331 3.8503 3.8736 3.9568 4.1187 4.1598 4.2489
4.5161 4.5263 4.6902 4.6993 4.7742 4.7937 4.8375 4.8689
4.9039 4.9344 5.0751 5.0852 5.3941 5.4306 5.4419 5.5820
6.4406 6.7160 6.8016 6.8465 7.4261 7.5169 9.6356 9.6371
10.7097 10.7417 10.8676 10.9166 12.8109 12.8320 13.4079 13.4382
k = 0.1518 0.1518 0.1518 ( 4097 PWs) bands (ev):
-5.3781 -5.3780 -4.6699 -4.6670 2.3532 2.4335 2.7992 2.8008
3.0757 3.1359 3.4294 3.4339 3.5012 3.5173 3.6614 3.6678
3.7012 3.8336 3.8572 3.8659 3.9543 4.1304 4.1637 4.2500
4.5123 4.5310 4.6989 4.7011 4.7780 4.8018 4.8417 4.8636
4.9055 4.9441 5.0764 5.0845 5.3842 5.4255 5.4440 5.5848
6.4515 6.6915 6.7832 6.8722 7.4116 7.5069 9.5355 9.5382
10.6101 10.6389 10.7877 10.8330 12.9093 12.9331 13.5792 13.6101
k = 0.1429 0.1429 0.1429 ( 4103 PWs) bands (ev):
-5.3941 -5.3941 -4.6688 -4.6661 2.3862 2.4686 2.8187 2.8224
3.0821 3.1455 3.4469 3.4517 3.5082 3.5233 3.6605 3.6671
3.7052 3.8340 3.8594 3.8653 3.9528 4.1416 4.1689 4.2515
4.5073 4.5351 4.7023 4.7077 4.7818 4.8094 4.8442 4.8585
4.9076 4.9535 5.0768 5.0841 5.3749 5.4218 5.4449 5.5855
6.4608 6.6731 6.7723 6.8952 7.3959 7.4947 9.4340 9.4379
10.5155 10.5411 10.7086 10.7506 13.0138 13.0399 13.7504 13.7826
k = 0.1339 0.1339 0.1339 ( 4097 PWs) bands (ev):
-5.4095 -5.4095 -4.6677 -4.6651 2.4194 2.5040 2.8364 2.8422
3.0860 3.1535 3.4650 3.4702 3.5156 3.5290 3.6603 3.6657
3.7096 3.8341 3.8544 3.8746 3.9525 4.1517 4.1754 4.2537
4.5014 4.5382 4.7030 4.7155 4.7865 4.8164 4.8449 4.8535
4.9105 4.9623 5.0762 5.0844 5.3660 5.4193 5.4445 5.5835
6.4698 6.6614 6.7686 6.9159 7.3789 7.4806 9.3316 9.3368
10.4264 10.4489 10.6308 10.6698 13.1242 13.1521 13.9186 13.9531
k = 0.1250 0.1250 0.1250 ( 4085 PWs) bands (ev):
-5.4242 -5.4242 -4.6665 -4.6640 2.4528 2.5395 2.8520 2.8600
3.0875 3.1598 3.4833 3.4892 3.5238 3.5343 3.6604 3.6638
3.7145 3.8337 3.8510 3.8852 3.9535 4.1603 4.1831 4.2570
4.4948 4.5402 4.7031 4.7209 4.7932 4.8227 4.8440 4.8486
4.9140 4.9703 5.0748 5.0855 5.3574 5.4179 5.4427 5.5787
6.4801 6.6565 6.7712 6.9344 7.3607 7.4648 9.2288 9.2352
10.3430 10.3626 10.5545 10.5910 13.2401 13.2694 14.0801 14.1190
k = 0.1161 0.1161 0.1161 ( 4085 PWs) bands (ev):
-5.4381 -5.4381 -4.6653 -4.6629 2.4861 2.5748 2.8657 2.8760
3.0865 3.1642 3.5004 3.5084 3.5336 3.5393 3.6609 3.6614
3.7196 3.8330 3.8496 3.8969 3.9557 4.1664 4.1919 4.2617
4.4876 4.5407 4.7024 4.7227 4.8029 4.8283 4.8414 4.8440
4.9181 4.9772 5.0725 5.0881 5.3489 5.4172 5.4396 5.5710
6.4930 6.6587 6.7795 6.9510 7.3415 7.4472 9.1261 9.1337
10.2657 10.2827 10.4803 10.5143 13.3611 13.3913 14.2293 14.2401
k = 0.1071 0.1071 0.1071 ( 4076 PWs) bands (ev):
-5.4512 -5.4512 -4.6641 -4.6618 2.5194 2.6099 2.8774 2.8903
3.0831 3.1668 3.5150 3.5275 3.5441 3.5464 3.6588 3.6614
3.7249 3.8318 3.8503 3.9095 3.9593 4.1694 4.2016 4.2684
4.4800 4.5398 4.7010 4.7205 4.8149 4.8331 4.8374 4.8407
4.9224 4.9831 5.0694 5.0926 5.3402 5.4169 5.4355 5.5607
6.5092 6.6676 6.7928 6.9662 7.3214 7.4282 9.0241 9.0327
10.1946 10.2093 10.4086 10.4403 13.4869 13.5175 14.3436 14.3608
k = 0.0982 0.0982 0.0982 ( 4073 PWs) bands (ev):
-5.4635 -5.4635 -4.6628 -4.6608 2.5525 2.6446 2.8873 2.9031
3.0773 3.1674 3.5262 3.5460 3.5486 3.5625 3.6563 3.6615
3.7301 3.8302 3.8535 3.9230 3.9640 4.1692 4.2123 4.2772
4.4722 4.5372 4.6986 4.7146 4.8240 4.8322 4.8374 4.8433
4.9264 4.9878 5.0658 5.0994 5.3310 5.4164 5.4307 5.5482
6.5292 6.6828 6.8105 6.9801 7.3006 7.4079 8.9232 8.9328
10.1300 10.1427 10.3396 10.3693 13.6168 13.6473 14.4487 14.4759
k = 0.0893 0.0893 0.0893 ( 4067 PWs) bands (ev):
-5.4748 -5.4748 -4.6616 -4.6597 2.5853 2.6786 2.8955 2.9145
3.0692 3.1660 3.5351 3.5530 3.5630 3.5805 3.6546 3.6611
3.7354 3.8282 3.8593 3.9371 3.9698 4.1658 4.2239 4.2878
4.4644 4.5330 4.6952 4.7057 4.8236 4.8261 4.8414 4.8580
4.9295 4.9915 5.0618 5.1091 5.3209 5.4155 5.4255 5.5342
6.5528 6.7035 6.8324 6.9933 7.2794 7.3864 8.8241 8.8347
10.0720 10.0831 10.2739 10.3017 13.7504 13.7802 14.5543 14.5801
k = 0.0804 0.0804 0.0804 ( 4070 PWs) bands (ev):
-5.4852 -5.4852 -4.6604 -4.6587 2.6179 2.7117 2.9021 2.9249
3.0587 3.1624 3.5426 3.5575 3.5776 3.5991 3.6545 3.6597
3.7406 3.8257 3.8677 3.9515 3.9764 4.1594 4.2364 4.2998
4.4567 4.5272 4.6905 4.6945 4.8195 4.8197 4.8453 4.8779
4.9313 4.9941 5.0576 5.1219 5.3097 5.4136 5.4203 5.5191
6.5793 6.7285 6.8583 7.0060 7.2581 7.3640 8.7274 8.7388
10.0207 10.0306 10.2118 10.2377 13.8869 13.9152 14.6585 14.6747
k = 0.0714 0.0714 0.0714 ( 4064 PWs) bands (ev):
-5.4946 -5.4946 -4.6593 -4.6578 2.6500 2.7437 2.9072 2.9346
3.0462 3.1567 3.5495 3.5623 3.5887 3.6173 3.6570 3.6574
3.7458 3.8229 3.8785 3.9659 3.9837 4.1505 4.2498 4.3128
4.4493 4.5199 4.6814 4.6845 4.8128 4.8154 4.8494 4.8998
4.9316 4.9959 5.0538 5.1375 5.2972 5.4104 5.4154 5.5036
6.6081 6.7565 6.8880 7.0188 7.2372 7.3408 8.6341 8.6461
9.9762 9.9853 10.1535 10.1778 14.0253 14.0515 14.7571 14.7590
k = 0.0625 0.0625 0.0625 ( 4061 PWs) bands (ev):
-5.5030 -5.5030 -4.6583 -4.6569 2.6816 2.7741 2.9110 2.9440
3.0316 3.1487 3.5558 3.5674 3.5955 3.6344 3.6541 3.6625
3.7508 3.8196 3.8917 3.9800 3.9914 4.1394 4.2641 4.3264
4.4421 4.5113 4.6670 4.6768 4.8063 4.8110 4.8537 4.9224
4.9304 4.9970 5.0507 5.1558 5.2830 5.4055 5.4111 5.4883
6.6384 6.7856 6.9210 7.0319 7.2174 7.3170 8.5451 8.5575
9.9386 9.9472 10.0996 10.1222 14.1647 14.1877 14.8217 14.8529
k = 0.0536 0.0536 0.0536 ( 4055 PWs) bands (ev):
-5.5103 -5.5103 -4.6574 -4.6562 2.7127 2.8025 2.9135 2.9536
3.0151 3.1386 3.5618 3.5728 3.5985 3.6498 3.6502 3.6703
3.7558 3.8160 3.9068 3.9932 3.9993 4.1263 4.2792 4.3405
4.4352 4.5015 4.6522 4.6677 4.8007 4.8067 4.8585 4.9278
4.9449 4.9977 5.0493 5.1762 5.2672 5.3987 5.4077 5.4737
6.6695 6.8136 6.9567 7.0456 7.1996 7.2928 8.4617 8.4741
9.9079 9.9163 10.0502 10.0712 14.3036 14.3220 14.8650 14.8950
k = 0.0446 0.0446 0.0446 ( 4064 PWs) bands (ev):
-5.5166 -5.5166 -4.6565 -4.6555 2.7431 2.8283 2.9149 2.9640
2.9968 3.1264 3.5672 3.5786 3.5990 3.6447 3.6641 3.6789
3.7608 3.8119 3.9235 4.0051 4.0071 4.1115 4.2950 4.3548
4.4283 4.4907 4.6378 4.6572 4.7960 4.8027 4.8637 4.9239
4.9655 4.9980 5.0510 5.1981 5.2495 5.3896 5.4053 5.4600
6.7006 6.8376 6.9940 7.0603 7.1847 7.2684 8.3855 8.3975
9.8841 9.8927 10.0058 10.0253 14.4402 14.4525 14.8908 14.9142
k = 0.0357 0.0357 0.0357 ( 4064 PWs) bands (ev):
-5.5217 -5.5217 -4.6558 -4.6550 2.7729 2.8507 2.9151 2.9758
2.9769 3.1123 3.5723 3.5848 3.5981 3.6390 3.6761 3.6869
3.7658 3.8074 3.9416 4.0145 4.0153 4.0953 4.3115 4.3693
4.4209 4.4790 4.6249 4.6458 4.7925 4.7991 4.8693 4.9191
4.9817 4.9982 5.0579 5.2209 5.2301 5.3783 5.4041 5.4476
6.7312 6.8551 7.0314 7.0760 7.1735 7.2441 8.3184 8.3294
9.8672 9.8762 9.9666 9.9846 14.5723 14.5761 14.9051 14.9259
k = 0.0268 0.0268 0.0268 ( 4076 PWs) bands (ev):
-5.5257 -5.5257 -4.6552 -4.6546 2.8018 2.8693 2.9142 2.9555
2.9897 3.0964 3.5770 3.5913 3.5963 3.6327 3.6858 3.6935
3.7709 3.8027 3.9606 4.0211 4.0232 4.0778 4.3284 4.3837
4.4126 4.4666 4.6147 4.6342 4.7901 4.7958 4.8753 4.9136
4.9918 4.9983 5.0718 5.2091 5.2441 5.3646 5.4042 5.4366
6.7608 6.8636 7.0668 7.0931 7.1660 7.2201 8.2627 8.2721
9.8570 9.8667 9.9328 9.9493 14.6891 14.6970 14.9123 14.9332
k = 0.0179 0.0179 0.0179 ( 4079 PWs) bands (ev):
-5.5286 -5.5286 -4.6548 -4.6544 2.8300 2.8839 2.9119 2.9327
3.0056 3.0791 3.5811 3.5940 3.5980 3.6259 3.6932 3.6982
3.7762 3.7976 3.9802 4.0265 4.0287 4.0592 4.3453 4.3981
4.4028 4.4536 4.6082 4.6235 4.7889 4.7931 4.8816 4.9076
4.9966 4.9986 5.0915 5.1866 5.2672 5.3486 5.4057 5.4272
6.7887 6.8625 7.0982 7.1114 7.1603 7.1965 8.2210 8.2278
9.8536 9.8641 9.9047 9.9199 14.7865 14.8107 14.9146 14.9395
k = 0.0089 0.0089 0.0089 ( 4067 PWs) bands (ev):
-5.5303 -5.5303 -4.6544 -4.6542 2.8572 2.8949 2.9083 2.9087
3.0233 3.0608 3.5850 3.5914 3.6050 3.6191 3.6981 3.7006
3.7816 3.7924 4.0002 4.0304 4.0318 4.0400 4.3618 4.3910
4.4124 4.4402 4.6062 4.6145 4.7888 4.7910 4.8881 4.9013
4.9984 4.9988 5.1145 5.1630 5.2896 5.3307 5.4088 5.4194
6.8141 6.8527 7.1236 7.1310 7.1534 7.1737 8.1955 8.1992
9.8569 9.8684 9.8825 9.8964 14.8606 14.9092 14.9122 14.9502
k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev):
-5.5309 -5.5309 -4.6543 -4.6543 2.8835 2.8835 2.9028 2.9028
3.0420 3.0420 3.5884 3.5884 3.6120 3.6120 3.7006 3.7006
3.7870 3.7870 4.0202 4.0202 4.0322 4.0322 4.3772 4.3772
4.4265 4.4265 4.6084 4.6084 4.7895 4.7895 4.8947 4.8947
4.9989 4.9989 5.1387 5.1387 5.3109 5.3109 5.4133 5.4133
6.8360 6.8360 7.1418 7.1418 7.1518 7.1518 8.1881 8.1881
9.8665 9.8665 9.8792 9.8792 14.9001 14.9001 14.9747 14.9747
k = 0.0000 0.0000 0.0000 ( 4067 PWs) bands (ev):
-5.5309 -5.5309 -4.6543 -4.6543 2.8835 2.8835 2.9028 2.9028
3.0420 3.0420 3.5884 3.5884 3.6120 3.6120 3.7006 3.7006
3.7870 3.7870 4.0202 4.0202 4.0322 4.0322 4.3772 4.3772
4.4265 4.4265 4.6084 4.6084 4.7895 4.7895 4.8947 4.8947
4.9989 4.9989 5.1387 5.1387 5.3109 5.3109 5.4133 5.4133
6.8360 6.8360 7.1418 7.1418 7.1518 7.1518 8.1881 8.1881
9.8665 9.8665 9.8792 9.8792 14.9001 14.9001 14.9747 14.9747
k = 0.0109-0.0109 0.0000 ( 4067 PWs) bands (ev):
-5.5304 -5.5303 -4.6544 -4.6543 2.8665 2.8755 2.9000 2.9268
3.0262 3.0590 3.5823 3.5917 3.6107 3.6112 3.6985 3.7032
3.7842 3.7902 4.0130 4.0148 4.0365 4.0393 4.3662 4.3852
4.4266 4.4268 4.6007 4.6155 4.7766 4.8002 4.8943 4.8946
4.9771 5.0155 5.1326 5.1522 5.3141 5.3143 5.4108 5.4167
6.8260 6.8426 7.1343 7.1383 7.1485 7.1553 8.1954 8.1999
9.8673 9.8718 9.8826 9.8834 14.8386 14.8977 14.9441 14.9737
k = 0.0217-0.0217 0.0000 ( 4079 PWs) bands (ev):
-5.5287 -5.5286 -4.6546 -4.6544 2.8379 2.8615 2.9052 2.9521
3.0126 3.0769 3.5735 3.5927 3.6059 3.6094 3.6974 3.7055
3.7815 3.7942 4.0004 4.0064 4.0445 4.0480 4.3529 4.3895
4.4267 4.4283 4.5924 4.6217 4.7622 4.8078 4.8922 4.8947
4.9564 5.0221 5.1361 5.1690 5.3232 5.3252 5.4090 5.4214
6.8131 6.8446 7.1178 7.1263 7.1375 7.1645 8.2211 8.2295
9.8741 9.8809 9.8930 9.8979 14.7580 14.8235 14.9384 14.9648
k = 0.0326-0.0326 0.0000 ( 4076 PWs) bands (ev):
-5.5259 -5.5258 -4.6549 -4.6546 2.8078 2.8442 2.9090 2.9725
3.0047 3.0953 3.5622 3.5913 3.5978 3.6072 3.6966 3.7076
3.7789 3.7990 3.9866 3.9978 4.0519 4.0560 4.3378 4.3902
4.4267 4.4313 4.5839 4.6270 4.7472 4.8118 4.8869 4.8953
4.9418 5.0199 5.1451 5.1867 5.3378 5.3433 5.4090 5.4288
6.7970 6.8403 7.0882 7.1142 7.1253 7.1750 8.2635 8.2748
9.8854 9.8938 9.9115 9.9229 14.6652 14.7341 14.9212 14.9522
k = 0.0435-0.0435 0.0000 ( 4068 PWs) bands (ev):
-5.5220 -5.5218 -4.6553 -4.6549 2.7767 2.8241 2.9110 2.9749
3.0152 3.1141 3.5489 3.5829 3.5915 3.6047 3.6944 3.7098
3.7763 3.8043 3.9724 3.9893 4.0571 4.0637 4.3216 4.3880
4.4265 4.4351 4.5754 4.6312 4.7324 4.8118 4.8784 4.8964
4.9348 5.0139 5.1538 5.2034 5.3555 5.3650 5.4137 5.4418
6.7767 6.8275 7.0524 7.0976 7.1183 7.1864 8.3196 8.3331
9.9005 9.9110 9.9392 9.9571 14.5627 14.6340 14.8945 14.9331
k = 0.0543-0.0543 0.0000 ( 4066 PWs) bands (ev):
-5.5170 -5.5168 -4.6559 -4.6554 2.7448 2.8014 2.9110 2.9664
3.0367 3.1330 3.5340 3.5679 3.5876 3.6019 3.6899 3.7117
3.7740 3.8096 3.9584 3.9807 4.0597 4.0705 4.3050 4.3839
4.4262 4.4389 4.5671 4.6341 4.7184 4.8081 4.8691 4.8979
4.9332 5.0074 5.1602 5.2179 5.3707 5.3813 5.4318 5.4646
6.7506 6.8049 7.0142 7.0830 7.1144 7.1986 8.3870 8.4018
9.9194 9.9323 9.9758 9.9998 14.4521 14.5247 14.8570 14.9051
k = 0.0652-0.0652 0.0000 ( 4052 PWs) bands (ev):
-5.5109 -5.5106 -4.6565 -4.6559 2.7122 2.7764 2.9091 2.9565
3.0596 3.1518 3.5177 3.5503 3.5829 3.5987 3.6833 3.7118
3.7730 3.8143 3.9452 3.9721 4.0598 4.0759 4.2891 4.3790
4.4261 4.4422 4.5596 4.6356 4.7060 4.8021 4.8607 4.8994
4.9340 5.0018 5.1653 5.2296 5.3774 5.3911 5.4654 5.4989
6.7171 6.7727 6.9779 7.0725 7.1135 7.2115 8.4630 8.4786
9.9424 9.9577 10.0209 10.0505 14.3348 14.4077 14.8057 14.8641
k = 0.0761-0.0761 0.0000 ( 4048 PWs) bands (ev):
-5.5038 -5.5035 -4.6572 -4.6565 2.6790 2.7495 2.9054 2.9467
3.0821 3.1704 3.5000 3.5310 3.5772 3.5947 3.6748 3.7089
3.7739 3.8173 3.9335 3.9632 4.0576 4.0794 4.2751 4.3737
4.4261 4.4444 4.5529 4.6355 4.6956 4.7953 4.8532 4.9006
4.9352 4.9975 5.1701 5.2392 5.3779 5.3993 5.5071 5.5420
6.6754 6.7324 6.9466 7.0653 7.1162 7.2252 8.5456 8.5619
9.9696 9.9872 10.0738 10.1086 14.2123 14.2845 14.7378 14.8043
k = 0.0870-0.0870 0.0000 ( 4056 PWs) bands (ev):
-5.4956 -5.4953 -4.6580 -4.6573 2.6451 2.7209 2.8996 2.9373
3.1037 3.1887 3.4812 3.5105 3.5704 3.5897 3.6648 3.7033
3.7764 3.8180 3.9235 3.9543 4.0531 4.0807 4.2638 4.3686
4.4263 4.4456 4.5472 4.6336 4.6873 4.7886 4.8463 4.9016
4.9357 4.9944 5.1754 5.2474 5.3763 5.4072 5.5525 5.5903
6.6266 6.6856 6.9220 7.0596 7.1227 7.2396 8.6332 8.6503
10.0010 10.0208 10.1339 10.1736 14.0862 14.1569 14.6551 14.7247
k = 0.0978-0.0978 0.0000 ( 4064 PWs) bands (ev):
-5.4865 -5.4861 -4.6589 -4.6581 2.6106 2.6908 2.8919 2.9283
3.1242 3.2063 3.4611 3.4890 3.5626 3.5835 3.6534 3.6957
3.7796 3.8159 3.9153 3.9461 4.0466 4.0801 4.2561 4.3639
4.4265 4.4460 4.5426 4.6302 4.6812 4.7825 4.8398 4.9020
4.9352 4.9923 5.1814 5.2549 5.3744 5.4159 5.5996 5.6413
6.5729 6.6342 6.9038 7.0543 7.1327 7.2548 8.7245 8.7424
10.0364 10.0584 10.2007 10.2450 13.9581 14.0269 14.5628 14.6318
k = 0.1087-0.1087 0.0000 ( 4066 PWs) bands (ev):
-5.4764 -5.4760 -4.6599 -4.6590 2.5757 2.6594 2.8823 2.9195
3.1436 3.2233 3.4399 3.4671 3.5540 3.5759 3.6410 3.6873
3.7824 3.8110 3.9081 3.9398 4.0384 4.0784 4.2516 4.3596
4.4261 4.4465 4.5388 4.6256 4.6768 4.7768 4.8337 4.9018
4.9337 4.9907 5.1874 5.2620 5.3736 5.4264 5.6471 5.6935
6.5165 6.5800 6.8908 7.0490 7.1456 7.2708 8.8183 8.8373
10.0758 10.0998 10.2738 10.3220 13.8296 13.8961 14.4662 14.5333
k = 0.1196-0.1196 0.0000 ( 4074 PWs) bands (ev):
-5.4654 -5.4649 -4.6610 -4.6600 2.5402 2.6270 2.8712 2.9105
3.1617 3.2394 3.4178 3.4450 3.5445 3.5666 3.6279 3.6788
3.7828 3.8046 3.9007 3.9366 4.0288 4.0761 4.2500 4.3557
4.4242 4.4481 4.5358 4.6204 4.6737 4.7714 4.8283 4.9008
4.9312 4.9894 5.1926 5.2684 5.3753 5.4394 5.6942 5.7456
6.4589 6.5252 6.8819 7.0435 7.1607 7.2876 8.9136 8.9338
10.1189 10.1449 10.3525 10.4041 13.7023 13.7666 14.3686 14.4333
k = 0.1304-0.1304 0.0000 ( 4076 PWs) bands (ev):
-5.4536 -5.4530 -4.6621 -4.6611 2.5044 2.5937 2.8586 2.9012
3.1782 3.2541 3.3950 3.4228 3.5343 3.5555 3.6149 3.6706
3.7781 3.7997 3.8932 3.9368 4.0181 4.0743 4.2502 4.3520
4.4206 4.4515 4.5330 4.6150 4.6712 4.7660 4.8237 4.8988
4.9283 4.9881 5.1963 5.2734 5.3815 5.4552 5.7401 5.7966
6.4017 6.4714 6.8761 7.0379 7.1773 7.3051 9.0095 9.0310
10.1657 10.1936 10.4364 10.4908 13.5776 13.6398 14.2717 14.3342
k = 0.1413-0.1413 0.0000 ( 4082 PWs) bands (ev):
-5.4409 -5.4403 -4.6633 -4.6622 2.4682 2.5596 2.8448 2.8913
3.1929 3.2669 3.3722 3.4009 3.5236 3.5429 3.6020 3.6627
3.7677 3.7972 3.8865 3.9392 4.0067 4.0733 4.2513 4.3485
4.4159 4.4565 4.5303 4.6098 4.6691 4.7604 4.8200 4.8957
4.9250 4.9867 5.1979 5.2756 5.3936 5.4740 5.7840 5.8455
6.3457 6.4205 6.8725 7.0324 7.1950 7.3234 9.1048 9.1279
10.2159 10.2454 10.5251 10.5813 13.4569 13.5172 14.1764 14.2368
k = 0.1522-0.1522 0.0000 ( 4078 PWs) bands (ev):
-5.4275 -5.4269 -4.6645 -4.6633 2.4317 2.5248 2.8298 2.8805
3.2051 3.2770 3.3502 3.3800 3.5126 3.5294 3.5894 3.6550
3.7544 3.7954 3.8813 3.9426 3.9951 4.0735 4.2526 4.3453
4.4108 4.4627 4.5276 4.6050 4.6671 4.7548 4.8170 4.8915
4.9217 4.9852 5.1974 5.2746 5.4122 5.4957 5.8248 5.8909
6.2922 6.3743 6.8708 7.0269 7.2134 7.3424 9.1985 9.2233
10.2690 10.3001 10.6182 10.6753 13.3415 13.4003 14.0830 14.1416
k = 0.1630-0.1630 0.0000 ( 4078 PWs) bands (ev):
-5.4134 -5.4127 -4.6657 -4.6646 2.3950 2.4895 2.8137 2.8689
3.2140 3.2826 3.3302 3.3612 3.5015 3.5158 3.5770 3.6468
3.7405 3.7936 3.8772 3.9450 3.9849 4.0748 4.2534 4.3423
4.4060 4.4695 4.5246 4.6006 4.6651 4.7491 4.8147 4.8863
4.9184 4.9836 5.1953 5.2709 5.4363 5.5202 5.8611 5.9312
6.2425 6.3354 6.8705 7.0216 7.2324 7.3622 9.2895 9.3161
10.3247 10.3572 10.7153 10.7723 13.2326 13.2903 13.9914 14.0487
k = 0.1739-0.1739 0.0000 ( 4090 PWs) bands (ev):
-5.3987 -5.3979 -4.6670 -4.6658 2.3581 2.4538 2.7964 2.8561
3.2177 3.2813 3.3141 3.3471 3.4904 3.5028 3.5647 3.6377
3.7276 3.7920 3.8736 3.9427 3.9798 4.0771 4.2531 4.3397
4.4021 4.4765 4.5217 4.5968 4.6630 4.7435 4.8126 4.8803
4.9149 4.9817 5.1918 5.2653 5.4645 5.5468 5.8905 5.9637
6.1987 6.3072 6.8714 7.0165 7.2516 7.3825 9.3764 9.4053
10.3825 10.4161 10.8163 10.8718 13.1313 13.1881 13.9012 13.9579
k = 0.1848-0.1848 0.0000 ( 4086 PWs) bands (ev):
-5.3834 -5.3826 -4.6683 -4.6670 2.3213 2.4179 2.7782 2.8422
3.2144 3.2727 3.3022 3.3396 3.4793 3.4915 3.5525 3.6275
3.7166 3.7909 3.8696 3.9337 3.9820 4.0804 4.2515 4.3375
4.3998 4.4827 4.5194 4.5937 4.6607 4.7383 4.8106 4.8736
4.9114 4.9797 5.1874 5.2586 5.4957 5.5751 5.9103 5.9848
6.1652 6.2930 6.8731 7.0116 7.2711 7.4034 9.4578 9.4894
10.4415 10.4762 10.9207 10.9735 13.0386 13.0948 13.8114 13.8689
k = 0.1957-0.1957 0.0000 ( 4094 PWs) bands (ev):
-5.3676 -5.3668 -4.6696 -4.6683 2.2846 2.3819 2.7588 2.8269
3.2040 3.2586 3.2947 3.3365 3.4682 3.4823 3.5405 3.6165
3.7078 3.7905 3.8641 3.9212 3.9887 4.0843 4.2485 4.3357
4.3994 4.4866 4.5190 4.5911 4.6582 4.7335 4.8083 4.8664
4.9077 4.9775 5.1823 5.2513 5.5283 5.6037 5.9183 5.9892
6.1488 6.2946 6.8756 7.0071 7.2905 7.4247 9.5325 9.5672
10.5011 10.5365 11.0285 11.0772 12.9552 13.0113 13.7208 13.7810
k = 0.2065-0.2065 0.0000 ( 4094 PWs) bands (ev):
-5.3514 -5.3506 -4.6708 -4.6695 2.2480 2.3459 2.7383 2.8103
3.1890 3.2414 3.2904 3.3343 3.4574 3.4752 3.5292 3.6054
3.7007 3.7910 3.8561 3.9090 3.9975 4.0888 4.2444 4.3340
4.4013 4.4872 4.5217 4.5890 4.6555 4.7292 4.8055 4.8589
4.9039 4.9751 5.1769 5.2439 5.5612 5.6310 5.9160 5.9763
6.1528 6.3103 6.8784 7.0031 7.3099 7.4463 9.5992 9.6374
10.5602 10.5958 11.1393 11.1826 12.8818 12.9380 13.6279 13.6936
k = 0.2174-0.2174 0.0000 ( 4086 PWs) bands (ev):
-5.3349 -5.3341 -4.6720 -4.6707 2.2119 2.3101 2.7166 2.7922
3.1722 3.2231 3.2864 3.3313 3.4472 3.4695 3.5193 3.5953
3.6945 3.7922 3.8446 3.8993 4.0070 4.0937 4.2395 4.3326
4.4055 4.4847 4.5270 4.5874 4.6527 4.7255 4.8019 4.8513
4.8999 4.9725 5.1713 5.2366 5.5924 5.6541 5.9094 5.9543
6.1711 6.3359 6.8815 6.9996 7.3291 7.4681 9.6568 9.6987
10.6173 10.6528 11.2528 11.2896 12.8187 12.8755 13.5331 13.6062
k = 0.2283-0.2283 0.0000 ( 4084 PWs) bands (ev):
-5.3182 -5.3173 -4.6731 -4.6718 2.1763 2.2747 2.6938 2.7726
3.1554 3.2048 3.2808 3.3267 3.4379 3.4639 3.5116 3.5870
3.6884 3.7938 3.8299 3.8927 4.0168 4.0992 4.2343 4.3313
4.4117 4.4806 4.5336 4.5862 4.6497 4.7223 4.7972 4.8438
4.8957 4.9697 5.1656 5.2295 5.6192 5.6692 5.9057 5.9334
6.1963 6.3678 6.8846 6.9967 7.3480 7.4900 9.7045 9.7501
10.6711 10.7057 11.3687 11.3981 12.7661 12.8237 13.4388 13.5195
k = 0.2391-0.2391 0.0000 ( 4084 PWs) bands (ev):
-5.3013 -5.3004 -4.6741 -4.6728 2.1413 2.2398 2.6697 2.7513
3.1396 3.1873 3.2732 3.3204 3.4294 3.4573 3.5069 3.5811
3.6819 3.7943 3.8146 3.8888 4.0262 4.1051 4.2289 4.3303
4.4196 4.4757 4.5402 4.5853 4.6466 4.7196 4.7912 4.8367
4.8914 4.9667 5.1600 5.2229 5.6370 5.6734 5.9067 5.9251
6.2245 6.4031 6.8876 6.9947 7.3667 7.5118 9.7418 9.7909
10.7194 10.7525 11.4859 11.5083 12.7236 12.7826 13.3493 13.4356
k = 0.2500-0.2500 0.0000 ( 4096 PWs) bands (ev):
-5.2844 -5.2834 -4.6750 -4.6738 2.1071 2.2056 2.6444 2.7284
3.1252 3.1709 3.2636 3.3125 3.4216 3.4494 3.5052 3.5775
3.6749 3.7857 3.8076 3.8871 4.0348 4.1116 4.2236 4.3298
4.4287 4.4709 4.5463 4.5847 4.6435 4.7173 4.7839 4.8300
4.8869 4.9635 5.1545 5.2166 5.6400 5.6681 5.9086 5.9405
6.2539 6.4403 6.8901 6.9937 7.3848 7.5333 9.7686 9.8207
10.7604 10.7910 11.6030 11.6207 12.6908 12.7514 13.2686 13.3582
k = 0.2609-0.2609 0.0000 ( 4092 PWs) bands (ev):
-5.2675 -5.2665 -4.6758 -4.6746 2.0739 2.1722 2.6178 2.7038
3.1125 3.1556 3.2527 3.3032 3.4140 3.4406 3.5057 3.5761
3.6678 3.7682 3.8096 3.8870 4.0423 4.1189 4.2185 4.3299
4.4382 4.4671 4.5514 4.5844 4.6407 4.7155 4.7753 4.8238
4.8824 4.9602 5.1491 5.2110 5.6265 5.6565 5.9212 5.9699
6.2837 6.4787 6.8920 6.9938 7.4025 7.5544 9.7853 9.8395
10.7915 10.8189 11.7173 11.7361 12.6673 12.7293 13.1998 13.2906
k = 0.2717-0.2717 0.0000 ( 4102 PWs) bands (ev):
-5.2507 -5.2497 -4.6764 -4.6752 2.0418 2.1398 2.5900 2.6778
3.1016 3.1414 3.2409 3.2930 3.4066 3.4314 3.5071 3.5760
3.6614 3.7493 3.8138 3.8882 4.0485 4.1269 4.2136 4.3305
4.4460 4.4661 4.5550 4.5844 4.6383 4.7138 4.7657 4.8181
4.8779 4.9567 5.1438 5.2057 5.6030 5.6382 5.9454 6.0066
6.3134 6.5176 6.8932 6.9953 7.4196 7.5750 9.7924 9.8481
10.8107 10.8342 11.8280 11.8530 12.6529 12.7155 13.1452 13.2347
k = 0.2826-0.2826 0.0000 ( 4106 PWs) bands (ev):
-5.2342 -5.2331 -4.6769 -4.6757 2.0110 2.1085 2.5611 2.6502
3.0924 3.1283 3.2289 3.2825 3.3993 3.4223 3.5084 3.5764
3.6569 3.7307 3.8188 3.8905 4.0534 4.1357 4.2088 4.3318
4.4486 4.4716 4.5570 4.5846 4.6366 4.7122 4.7555 4.8128
4.8735 4.9531 5.1384 5.2009 5.5749 5.6146 5.9777 6.0475
6.3429 6.5568 6.8937 6.9983 7.4360 7.5949 9.7911 9.8472
10.8158 10.8353 11.9346 11.9681 12.6475 12.7091 13.1059 13.1904
k = 0.2935-0.2935 0.0000 ( 4110 PWs) bands (ev):
-5.2180 -5.2169 -4.6772 -4.6760 1.9816 2.0786 2.5312 2.6214
3.0847 3.1161 3.2171 3.2724 3.3921 3.4134 3.5081 3.5766
3.6553 3.7133 3.8242 3.8936 4.0571 4.1449 4.2041 4.3335
4.4474 4.4817 4.5572 4.5847 4.6358 4.7102 4.7454 4.8077
4.8692 4.9494 5.1330 5.1966 5.5447 5.5878 6.0150 6.0908
6.3721 6.5963 6.8935 7.0029 7.4516 7.6140 9.7822 9.8380
10.8055 10.8218 12.0356 12.0777 12.6515 12.7099 13.0816 13.1559
k = 0.3043-0.3043 0.0000 ( 4114 PWs) bands (ev):
-5.2022 -5.2010 -4.6772 -4.6761 1.9537 2.0500 2.5004 2.5914
3.0783 3.1047 3.2060 3.2631 3.3851 3.4049 3.5054 3.5764
3.6568 3.6980 3.8299 3.8974 4.0596 4.1543 4.1992 4.3356
4.4459 4.4930 4.5558 4.5849 4.6360 4.7074 4.7360 4.8028
4.8652 4.9456 5.1274 5.1925 5.5137 5.5598 6.0550 6.1351
6.4011 6.6358 6.8928 7.0092 7.4663 7.6321 9.7671 9.8219
10.7790 10.7943 12.1279 12.1772 12.6656 12.7182 13.0701 13.1287
k = 0.3152-0.3152 0.0000 ( 4116 PWs) bands (ev):
-5.1868 -5.1857 -4.6771 -4.6760 1.9275 2.0229 2.4689 2.5604
3.0728 3.0939 3.1960 3.2549 3.3785 3.3968 3.4999 3.5754
3.6604 3.6865 3.8359 3.9015 4.0613 4.1637 4.1942 4.3377
4.4451 4.5040 4.5530 4.5851 4.6373 4.7027 4.7282 4.7981
4.8614 4.9418 5.1215 5.1887 5.4828 5.5314 6.0963 6.1795
6.4298 6.6752 6.8920 7.0172 7.4801 7.6492 9.7471 9.8001
10.7372 10.7542 12.2077 12.2606 12.6900 12.7357 13.0659 13.1096
k = 0.3261-0.3261 0.0000 ( 4108 PWs) bands (ev):
-5.1721 -5.1710 -4.6767 -4.6757 1.9031 1.9975 2.4370 2.5287
3.0675 3.0837 3.1875 3.2484 3.3724 3.3893 3.4921 3.5726
3.6636 3.6816 3.8421 3.9059 4.0623 4.1725 4.1893 4.3399
4.4456 4.5138 4.5491 4.5860 4.6393 4.6960 4.7228 4.7936
4.8580 4.9381 5.1152 5.1852 5.4524 5.5036 6.1382 6.2233
6.4582 6.7140 6.8917 7.0273 7.4927 7.6652 9.7232 9.7740
10.6823 10.7027 12.2712 12.3223 12.7207 12.7653 13.0583 13.1077
k = 0.3370-0.3370 0.0000 ( 4108 PWs) bands (ev):
-5.1580 -5.1569 -4.6760 -4.6751 1.8806 1.9737 2.4048 2.4965
3.0618 3.0745 3.1807 3.2435 3.3668 3.3823 3.4829 3.5669
3.6646 3.6851 3.8484 3.9105 4.0627 4.1777 4.1871 4.3417
4.4473 4.5211 4.5446 4.5880 4.6420 4.6876 4.7191 4.7893
4.8547 4.9346 5.1082 5.1817 5.4227 5.4767 6.1798 6.2659
6.4864 6.7510 6.8931 7.0395 7.5042 7.6798 9.6965 9.7448
10.6174 10.6414 12.3164 12.3606 12.7460 12.8064 13.0508 13.1277
k = 0.3478-0.3478 0.0000 ( 4108 PWs) bands (ev):
-5.1447 -5.1436 -4.6752 -4.6743 1.8601 1.9517 2.3727 2.4639
3.0546 3.0667 3.1758 3.2404 3.3619 3.3759 3.4733 3.5583
3.6667 3.6929 3.8551 3.9150 4.0626 4.1738 4.1931 4.3433
4.4503 4.5243 4.5412 4.5915 4.6450 4.6788 4.7161 4.7854
4.8515 4.9314 5.1006 5.1782 5.3943 5.4510 6.2208 6.3066
6.5141 6.7841 6.8986 7.0542 7.5143 7.6930 9.6680 9.7134
10.5451 10.5724 12.3446 12.3793 12.7583 12.8385 13.0664 13.1678
k = 0.3587-0.3587 0.0000 ( 4108 PWs) bands (ev):
-5.1322 -5.1311 -4.6741 -4.6733 1.8417 1.9314 2.3411 2.4312
3.0461 3.0600 3.1728 3.2390 3.3575 3.3702 3.4640 3.5474
3.6713 3.7019 3.8620 3.9196 4.0622 4.1670 4.2010 4.3444
4.4542 4.5219 4.5405 4.5964 4.6479 4.6704 4.7132 4.7821
4.8482 4.9288 5.0923 5.1746 5.3673 5.4268 6.2606 6.3451
6.5414 6.8089 6.9122 7.0717 7.5232 7.7046 9.6385 9.6808
10.4681 10.4981 12.3591 12.3841 12.7551 12.8401 13.1208 13.2281
k = 0.3696-0.3696 0.0000 ( 4106 PWs) bands (ev):
-5.1205 -5.1194 -4.6729 -4.6721 1.8253 1.9128 2.3101 2.3988
3.0371 3.0536 3.1719 3.2388 3.3539 3.3653 3.4554 3.5353
3.6779 3.7111 3.8692 3.9241 4.0614 4.1592 4.2088 4.3453
4.4586 4.5163 4.5411 4.6024 4.6500 4.6635 4.7101 4.7795
4.8443 4.9269 5.0834 5.1707 5.3421 5.4042 6.2989 6.3808
6.5678 6.8227 6.9367 7.0924 7.5306 7.7145 9.6086 9.6477
10.3886 10.4205 12.3634 12.3804 12.7388 12.8179 13.2032 13.3048
k = 0.3804-0.3804 0.0000 ( 4106 PWs) bands (ev):
-5.1097 -5.1087 -4.6715 -4.6707 1.8111 1.8960 2.2802 2.3668
3.0283 3.0470 3.1726 3.2396 3.3510 3.3612 3.4479 3.5227
3.6857 3.7198 3.8768 3.9285 4.0603 4.1507 4.2163 4.3460
4.4624 4.5105 4.5417 4.6087 4.6488 4.6607 4.7066 4.7777
4.8398 4.9257 5.0738 5.1662 5.3191 5.3833 6.3355 6.4137
6.5932 6.8275 6.9695 7.1166 7.5367 7.7226 9.5790 9.6147
10.3088 10.3419 12.3609 12.3717 12.7138 12.7850 13.2977 13.3920
k = 0.3913-0.3913 0.0000 ( 4098 PWs) bands (ev):
-5.0998 -5.0988 -4.6699 -4.6693 1.7991 1.8807 2.2518 2.3355
3.0199 3.0401 3.1748 3.2408 3.3489 3.3580 3.4416 3.5103
3.6941 3.7280 3.8847 3.9328 4.0590 4.1415 4.2236 4.3465
4.4645 4.5058 4.5425 4.6147 4.6442 4.6619 4.7027 4.7770
4.8345 4.9253 5.0640 5.1607 5.2988 5.3642 6.3699 6.4435
6.6172 6.8275 7.0064 7.1444 7.5413 7.7286 9.5501 9.5822
10.2305 10.2640 12.3536 12.3605 12.6843 12.7480 13.3958 13.4842
k = 0.4022-0.4022 0.0000 ( 4098 PWs) bands (ev):
-5.0909 -5.0900 -4.6683 -4.6677 1.7893 1.8670 2.2251 2.3052
3.0123 3.0330 3.1782 3.2420 3.3477 3.3557 3.4367 3.4984
3.7024 3.7352 3.8928 3.9370 4.0574 4.1319 4.2307 4.3466
4.4638 4.5032 4.5440 4.6200 4.6396 4.6640 4.6986 4.7772
4.8286 4.9253 5.0542 5.1541 5.2816 5.3468 6.4020 6.4701
6.6395 6.8249 7.0447 7.1756 7.5447 7.7323 9.5222 9.5507
10.1553 10.1884 12.3428 12.3486 12.6533 12.7102 13.4932 13.5770
k = 0.4130-0.4130 0.0000 ( 4106 PWs) bands (ev):
-5.0829 -5.0821 -4.6667 -4.6661 1.7816 1.8547 2.2006 2.2762
3.0054 3.0258 3.1823 3.2427 3.3473 3.3544 3.4330 3.4873
3.7105 3.7414 3.9011 3.9411 4.0556 4.1219 4.2377 4.3463
4.4608 4.5019 4.5468 4.6239 4.6364 4.6660 4.6943 4.7776
4.8226 4.9253 5.0451 5.1460 5.2678 5.3310 6.4316 6.4934
6.6600 6.8208 7.0831 7.2093 7.5470 7.7336 9.4956 9.5205
10.0849 10.1168 12.3302 12.3367 12.6230 12.6734 13.5871 13.6670
k = 0.4239-0.4239 0.0000 ( 4106 PWs) bands (ev):
-5.0759 -5.0752 -4.6650 -4.6645 1.7761 1.8436 2.1788 2.2488
2.9995 3.0189 3.1870 3.2426 3.3477 3.3540 3.4306 3.4773
3.7181 3.7465 3.9094 3.9450 4.0536 4.1118 4.2448 4.3453
4.4569 4.5004 4.5514 4.6253 4.6359 4.6676 4.6903 4.7770
4.8180 4.9244 5.0374 5.1363 5.2575 5.3168 6.4585 6.5135
6.6786 6.8159 7.1209 7.2442 7.5487 7.7321 9.4707 9.4919
10.0205 10.0505 12.3174 12.3249 12.5946 12.6389 13.6755 13.7510
k = 0.4348-0.4348 0.0000 ( 4106 PWs) bands (ev):
-5.0699 -5.0692 -4.6634 -4.6630 1.7725 1.8335 2.1599 2.2233
2.9946 3.0123 3.1920 3.2416 3.3485 3.3544 3.4292 3.4684
3.7251 3.7506 3.9175 3.9487 4.0516 4.1017 4.2522 4.3432
4.4534 4.4978 4.5574 4.6242 4.6381 4.6688 4.6868 4.7735
4.8168 4.9220 5.0320 5.1255 5.2505 5.3040 6.4826 6.5304
6.6954 6.8104 7.1577 7.2783 7.5506 7.7276 9.4476 9.4653
9.9634 9.9906 12.3053 12.3134 12.5693 12.6075 13.7566 13.8267
k = 0.4457-0.4457 0.0000 ( 4110 PWs) bands (ev):
-5.0648 -5.0642 -4.6620 -4.6616 1.7710 1.8243 2.1444 2.1999
2.9906 3.0061 3.1971 3.2398 3.3495 3.3554 3.4289 3.4607
3.7314 3.7535 3.9253 3.9520 4.0497 4.0918 4.2599 4.3397
4.4513 4.4940 4.5644 4.6219 4.6415 4.6699 4.6842 4.7663
4.8198 4.9172 5.0296 5.1139 5.2463 5.2927 6.5037 6.5441
6.7104 6.8043 7.1934 7.3090 7.5540 7.7200 9.4269 9.4410
9.9144 9.9382 12.2945 12.3025 12.5477 12.5796 13.8291 13.8919
k = 0.4565-0.4565 0.0000 ( 4114 PWs) bands (ev):
-5.0606 -5.0601 -4.6607 -4.6604 1.7712 1.8157 2.1326 2.1789
2.9877 3.0006 3.2022 3.2372 3.3507 3.3565 3.4293 3.4542
3.7370 3.7554 3.9327 3.9547 4.0482 4.0824 4.2679 4.3347
4.4509 4.4891 4.5718 4.6189 4.6453 4.6704 4.6835 4.7563
4.8261 4.9101 5.0303 5.1019 5.2445 5.2826 6.5219 6.5545
6.7239 6.7978 7.2274 7.3333 7.5608 7.7089 9.4088 9.4197
9.8742 9.8940 12.2854 12.2927 12.5302 12.5559 13.8916 13.9451
k = 0.4674-0.4674 0.0000 ( 4106 PWs) bands (ev):
-5.0574 -5.0570 -4.6597 -4.6595 1.7731 1.8076 2.1248 2.1607
2.9859 2.9958 3.2073 3.2339 3.3521 3.3573 3.4305 3.4488
3.7420 3.7562 3.9396 3.9566 4.0475 4.0736 4.2765 4.3284
4.4525 4.4836 4.5792 4.6151 4.6495 4.6696 4.6859 4.7448
4.8347 4.9009 5.0340 5.0899 5.2446 5.2737 6.5370 6.5616
6.7361 6.7908 7.2592 7.3483 7.5726 7.6945 9.3941 9.4020
9.8434 9.8586 12.2783 12.2844 12.5171 12.5364 13.9432 13.9854
k = 0.4783-0.4783 0.0000 ( 4102 PWs) bands (ev):
-5.0550 -5.0548 -4.6589 -4.6587 1.7764 1.8001 2.1210 2.1456
2.9851 2.9918 3.2122 3.2302 3.3536 3.3575 3.4323 3.4443
3.7462 3.7559 3.9456 3.9573 4.0481 4.0658 4.2853 4.3208
4.4556 4.4775 4.5863 4.6104 4.6537 4.6675 4.6914 4.7327
4.8447 4.8902 5.0400 5.0784 5.2464 5.2660 6.5490 6.5655
6.7472 6.7833 7.2881 7.3527 7.5897 7.6768 9.3834 9.3884
9.8221 9.8324 12.2735 12.2778 12.5086 12.5215 13.9831 14.0122
k = 0.4891-0.4891 0.0000 ( 4106 PWs) bands (ev):
-5.0536 -5.0535 -4.6584 -4.6583 1.7810 1.7930 2.1213 2.1338
2.9853 2.9887 3.2170 3.2260 3.3550 3.3572 3.4346 3.4406
3.7498 3.7547 3.9505 3.9565 4.0501 4.0591 4.2944 4.3124
4.4601 4.4714 4.5930 4.6051 4.6577 4.6647 4.6995 4.7208
4.8556 4.8788 5.0479 5.0673 5.2495 5.2594 6.5579 6.5662
6.7573 6.7753 7.3132 7.3471 7.6109 7.6562 9.3771 9.3796
9.8103 9.8156 12.2710 12.2732 12.5048 12.5113 14.0103 14.0252
k = 0.5000-0.5000 0.0000 ( 4116 PWs) bands (ev):
-5.0531 -5.0531 -4.6582 -4.6582 1.7866 1.7866 2.1256 2.1256
2.9865 2.9865 3.2216 3.2216 3.3563 3.3563 3.4374 3.4374
3.7526 3.7526 3.9542 3.9542 4.0538 4.0538 4.3034 4.3034
4.4654 4.4654 4.5992 4.5992 4.6613 4.6613 4.7095 4.7095
4.8671 4.8671 5.0570 5.0570 5.2539 5.2539 6.5636 6.5636
6.7666 6.7666 7.3333 7.3333 7.6338 7.6338 9.3758 9.3758
9.8082 9.8082 12.2709 12.2709 12.5056 12.5056 14.0245 14.0245
k = 0.5000-0.5000 0.0000 ( 4116 PWs) bands (ev):
-5.0531 -5.0531 -4.6582 -4.6582 1.7866 1.7866 2.1256 2.1256
2.9865 2.9865 3.2216 3.2216 3.3563 3.3563 3.4374 3.4374
3.7526 3.7526 3.9542 3.9542 4.0538 4.0538 4.3034 4.3034
4.4654 4.4654 4.5992 4.5992 4.6613 4.6613 4.7095 4.7095
4.8671 4.8671 5.0570 5.0570 5.2539 5.2539 6.5636 6.5636
6.7666 6.7666 7.3333 7.3333 7.6338 7.6338 9.3758 9.3758
9.8082 9.8082 12.2709 12.2709 12.5056 12.5056 14.0245 14.0245
k = 0.5000-0.5000-0.0152 ( 4100 PWs) bands (ev):
-5.0528 -5.0527 -4.6581 -4.6581 1.7856 1.7878 2.1249 2.1259
2.9836 2.9873 3.2193 3.2251 3.3542 3.3597 3.4350 3.4408
3.7508 3.7547 3.9519 3.9563 4.0508 4.0567 4.2972 4.3102
4.4586 4.4722 4.5935 4.6044 4.6577 4.6657 4.7031 4.7169
4.8639 4.8700 5.0546 5.0591 5.2527 5.2546 6.5519 6.5673
6.7519 6.7725 7.3193 7.3416 7.6268 7.6369 9.3808 9.3843
9.8101 9.8228 12.2693 12.2734 12.5023 12.5054 14.0223 14.0267
k = 0.5000-0.5000-0.0303 ( 4100 PWs) bands (ev):
-5.0518 -5.0515 -4.6579 -4.6578 1.7846 1.7892 2.1237 2.1258
2.9786 2.9857 3.2181 3.2296 3.3534 3.3644 3.4336 3.4450
3.7492 3.7569 3.9493 3.9581 4.0478 4.0592 4.2913 4.3172
4.4519 4.4785 4.5873 4.6084 4.6545 4.6707 4.6980 4.7250
4.8604 4.8724 5.0518 5.0608 5.2510 5.2548 6.5325 6.5629
6.7289 6.7693 7.3003 7.3437 7.6161 7.6361 9.3993 9.4063
9.8284 9.8533 12.2686 12.2767 12.4954 12.5015 14.0199 14.0287
k = 0.5000-0.5000-0.0455 ( 4100 PWs) bands (ev):
-5.0500 -5.0496 -4.6575 -4.6573 1.7839 1.7907 2.1222 2.1253
2.9715 2.9817 3.2180 3.2352 3.3539 3.3704 3.4335 3.4500
3.7479 3.7593 3.9466 3.9597 4.0452 4.0613 4.2859 4.3245
4.4455 4.4843 4.5808 4.6109 4.6515 4.6764 4.6949 4.7335
4.8570 4.8743 5.0486 5.0620 5.2488 5.2544 6.5058 6.5503
6.6985 6.7568 7.2774 7.3395 7.6017 7.6313 9.4309 9.4413
9.8626 9.8989 12.2690 12.2809 12.4853 12.4944 14.0174 14.0304
k = 0.5000-0.5000-0.0606 ( 4108 PWs) bands (ev):
-5.0475 -5.0470 -4.6570 -4.6567 1.7833 1.7924 2.1203 2.1243
2.9622 2.9749 3.2191 3.2418 3.3557 3.3775 3.4348 3.4557
3.7470 3.7618 3.9436 3.9609 4.0430 4.0629 4.2810 4.3318
4.4396 4.4895 4.5743 4.6117 4.6490 4.6812 4.6950 4.7417
4.8540 4.8757 5.0450 5.0628 5.2460 5.2536 6.4723 6.5296
6.6618 6.7357 7.2516 7.3292 7.5835 7.6223 9.4750 9.4887
9.9117 9.9583 12.2705 12.2861 12.4723 12.4843 14.0148 14.0320
k = 0.5000-0.5000-0.0758 ( 4116 PWs) bands (ev):
-5.0443 -5.0437 -4.6562 -4.6559 1.7829 1.7943 2.1179 2.1230
2.9508 2.9652 3.2213 3.2496 3.3588 3.3859 3.4376 3.4621
3.7465 3.7646 3.9406 3.9620 4.0415 4.0641 4.2766 4.3390
4.4344 4.4939 4.5678 4.6106 4.6471 4.6830 4.7004 4.7494
4.8517 4.8765 5.0410 5.0632 5.2428 5.2524 6.4325 6.5007
6.6206 6.7067 7.2237 7.3133 7.5615 7.6092 9.5311 9.5476
9.9744 10.0302 12.2734 12.2925 12.4569 12.4718 14.0121 14.0334
k = 0.5000-0.5000-0.0909 ( 4116 PWs) bands (ev):
-5.0404 -5.0397 -4.6554 -4.6550 1.7826 1.7964 2.1152 2.1213
2.9371 2.9524 3.2247 3.2585 3.3631 3.3954 3.4421 3.4693
3.7467 3.7678 3.9377 3.9628 4.0407 4.0651 4.2729 4.3462
4.4300 4.4975 4.5613 4.6078 4.6458 4.6830 4.7092 4.7561
4.8506 4.8768 5.0366 5.0632 5.2392 5.2507 6.3868 6.4633
6.5771 6.6714 7.1943 7.2922 7.5357 7.5921 9.5980 9.6172
10.0493 10.1128 12.2778 12.3003 12.4399 12.4578 14.0092 14.0346
k = 0.5000-0.5000-0.1061 ( 4120 PWs) bands (ev):
-5.0359 -5.0351 -4.6543 -4.6539 1.7826 1.7986 2.1122 2.1192
2.9210 2.9363 3.2294 3.2684 3.3688 3.4059 3.4483 3.4772
3.7475 3.7713 3.9352 3.9635 4.0404 4.0662 4.2696 4.3530
4.4267 4.5003 4.5550 4.6037 4.6450 4.6827 4.7190 4.7611
4.8514 4.8766 5.0319 5.0627 5.2351 5.2486 6.3357 6.4168
6.5336 6.6313 7.1636 7.2666 7.5062 7.5709 9.6749 9.6963
10.1346 10.2048 12.2839 12.3094 12.4218 12.4429 14.0063 14.0359
k = 0.5000-0.5000-0.1212 ( 4112 PWs) bands (ev):
-5.0308 -5.0299 -4.6532 -4.6527 1.7828 1.8011 2.1088 2.1168
2.9025 2.9169 3.2353 3.2795 3.3757 3.4172 3.4565 3.4860
3.7491 3.7752 3.9331 3.9642 4.0406 4.0677 4.2669 4.3594
4.4246 4.5021 4.5492 4.5988 4.6447 4.6825 4.7288 4.7646
4.8543 4.8762 5.0269 5.0618 5.2306 5.2462 6.2793 6.3617
6.4916 6.5883 7.1318 7.2369 7.4731 7.5460 9.7606 9.7840
10.2289 10.3044 12.2913 12.3200 12.4035 12.4285 14.0032 14.0372
k = 0.5000-0.5000-0.1364 ( 4096 PWs) bands (ev):
-5.0251 -5.0242 -4.6519 -4.6513 1.7832 1.8039 2.1051 2.1141
2.8813 2.8941 3.2425 3.2916 3.3839 3.4293 3.4666 3.4958
3.7514 3.7795 3.9319 3.9650 4.0410 4.0701 4.2646 4.3651
4.4236 4.5028 4.5441 4.5933 4.6445 4.6823 4.7373 4.7671
4.8591 4.8755 5.0216 5.0604 5.2257 5.2434 6.2182 6.2991
6.4516 6.5443 7.0987 7.2036 7.4367 7.5174 9.8542 9.8792
10.3305 10.4103 12.2995 12.3313 12.3868 12.4163 14.0001 14.0387
k = 0.5000-0.5000-0.1515 ( 4104 PWs) bands (ev):
-5.0189 -5.0179 -4.6504 -4.6498 1.7839 1.8069 2.1011 2.1111
2.8573 2.8682 3.2509 3.3048 3.3934 3.4419 3.4784 3.5067
3.7545 3.7839 3.9317 3.9660 4.0414 4.0734 4.2627 4.3699
4.4237 4.5018 4.5400 4.5875 4.6442 4.6820 4.7427 4.7703
4.8651 4.8751 5.0160 5.0585 5.2204 5.2402 6.1527 6.2308
6.4136 6.5007 7.0643 7.1671 7.3971 7.4854 9.9545 9.9807
10.4380 10.5209 12.3062 12.3388 12.3767 12.4093 13.9969 14.0408
k = 0.5000-0.5000-0.1667 ( 4112 PWs) bands (ev):
-5.0123 -5.0111 -4.6489 -4.6483 1.7848 1.8103 2.0968 2.1079
2.8304 2.8395 3.2605 3.3191 3.4041 3.4549 3.4919 3.5189
3.7582 3.7884 3.9327 3.9673 4.0418 4.0780 4.2611 4.3738
4.4248 4.4992 4.5373 4.5819 4.6436 4.6816 4.7441 4.7754
4.8699 4.8769 5.0101 5.0561 5.2147 5.2368 6.0834 6.1584
6.3775 6.4586 7.0286 7.1280 7.3548 7.4501 10.0605 10.0875
10.5499 10.6348 12.3083 12.3334 12.3839 12.4115 13.9938 14.0435
k = 0.5000-0.5000-0.1818 ( 4100 PWs) bands (ev):
-5.0052 -5.0040 -4.6473 -4.6466 1.7862 1.8139 2.0923 2.1045
2.8001 2.8090 3.2714 3.3343 3.4160 3.4683 3.5069 3.5327
3.7627 3.7930 3.9352 3.9693 4.0423 4.0839 4.2599 4.3768
4.4267 4.4951 4.5358 4.5767 4.6427 4.6810 4.7424 4.7816
4.8707 4.8834 5.0041 5.0531 5.2086 5.2330 6.0112 6.0831
6.3434 6.4189 6.9915 7.0866 7.3101 7.4120 10.1711 10.1986
10.6648 10.7505 12.3040 12.3205 12.4045 12.4250 13.9907 14.0470
k = 0.5000-0.5000-0.1970 ( 4108 PWs) bands (ev):
-4.9978 -4.9965 -4.6456 -4.6449 1.7879 1.8179 2.0877 2.1009
2.7662 2.7772 3.2834 3.3504 3.4291 3.4820 3.5228 3.5480
3.7677 3.7972 3.9391 3.9720 4.0430 4.0910 4.2588 4.3791
4.4289 4.4899 4.5351 4.5722 4.6412 4.6802 4.7389 4.7877
4.8705 4.8910 4.9980 5.0496 5.2020 5.2289 5.9367 6.0060
6.3116 6.3821 6.9533 7.0434 7.2633 7.3712 10.2851 10.3129
10.7813 10.8666 12.2948 12.3070 12.4329 12.4484 13.9879 14.0517
k = 0.5000-0.5000-0.2121 ( 4108 PWs) bands (ev):
-4.9901 -4.9888 -4.6439 -4.6432 1.7900 1.8224 2.0828 2.0971
2.7293 2.7441 3.2966 3.3674 3.4433 3.4959 3.5395 3.5651
3.7733 3.8012 3.9442 3.9759 4.0443 4.0992 4.2579 4.3808
4.4309 4.4842 4.5345 4.5689 4.6390 4.6791 4.7347 4.7928
4.8705 4.8985 4.9920 5.0454 5.1950 5.2245 5.8608 5.9280
6.2822 6.3486 6.9140 6.9986 7.2147 7.3281 10.4014 10.4293
10.8982 10.9816 12.2838 12.2947 12.4678 12.4806 13.9853 14.0577
k = 0.5000-0.5000-0.2273 ( 4108 PWs) bands (ev):
-4.9821 -4.9808 -4.6421 -4.6414 1.7926 1.8272 2.0779 2.0933
2.6902 2.7096 3.3109 3.3852 3.4585 3.5100 3.5566 3.5839
3.7794 3.8049 3.9501 3.9814 4.0465 4.1084 4.2572 4.3821
4.4324 4.4786 4.5336 4.5671 4.6361 4.6779 4.7299 4.7967
4.8707 4.9052 4.9862 5.0406 5.1875 5.2196 5.7843 5.8498
6.2555 6.3184 6.8738 6.9528 7.1648 7.2830 10.5189 10.5468
11.0142 11.0942 12.2728 12.2840 12.5078 12.5222 13.9831 14.0652
k = 0.5000-0.5000-0.2424 ( 4120 PWs) bands (ev):
-4.9740 -4.9727 -4.6403 -4.6395 1.7956 1.8325 2.0728 2.0895
2.6493 2.6738 3.3262 3.4036 3.4745 3.5242 3.5738 3.6040
3.7861 3.8083 3.9561 3.9886 4.0497 4.1187 4.2565 4.3830
4.4327 4.4733 4.5322 4.5668 4.6324 4.6765 4.7249 4.7992
4.8710 4.9107 4.9809 5.0351 5.1795 5.2142 5.7076 5.7722
6.2316 6.2918 6.8332 6.9063 7.1137 7.2361 10.6363 10.6641
11.1281 11.2031 12.2632 12.2751 12.5526 12.5739 13.9814 14.0746
k = 0.5000-0.5000-0.2576 ( 4112 PWs) bands (ev):
-4.9658 -4.9645 -4.6384 -4.6377 1.7993 1.8383 2.0677 2.0857
2.6072 2.6370 3.3424 3.4225 3.4912 3.5386 3.5911 3.6251
3.7935 3.8120 3.9620 3.9975 4.0546 4.1301 4.2561 4.3836
4.4318 4.4689 4.5305 4.5680 4.6278 4.6751 4.7198 4.8006
4.8712 4.9147 4.9762 5.0290 5.1709 5.2082 5.6317 5.6959
6.2109 6.2689 6.7923 6.8596 7.0619 7.1879 10.7522 10.7801
11.2387 11.3071 12.2553 12.2683 12.6035 12.6352 13.9802 14.0858
k = 0.5000-0.5000-0.2727 ( 4112 PWs) bands (ev):
-4.9576 -4.9563 -4.6366 -4.6358 1.8036 1.8447 2.0625 2.0820
2.5643 2.5993 3.3594 3.4417 3.5084 3.5530 3.6081 3.6466
3.8013 3.8163 3.9677 4.0072 4.0616 4.1424 4.2559 4.3838
4.4295 4.4654 4.5287 4.5701 4.6225 4.6736 4.7143 4.8010
4.8709 4.9171 4.9724 5.0221 5.1616 5.2015 5.5569 5.6215
6.1934 6.2496 6.7515 6.8130 7.0097 7.1386 10.8652 10.8934
11.3451 11.4056 12.2496 12.2637 12.6611 12.7060 13.9797 14.0991
k = 0.5000-0.5000-0.2879 ( 4108 PWs) bands (ev):
-4.9495 -4.9482 -4.6348 -4.6340 1.8086 1.8516 2.0574 2.0784
2.5210 2.5612 3.3771 3.4611 3.5261 3.5675 3.6247 3.6678
3.8093 3.8223 3.9733 4.0168 4.0713 4.1557 4.2561 4.3836
4.4259 4.4628 4.5270 4.5728 4.6166 4.6721 4.7084 4.8007
4.8698 4.9177 4.9697 5.0143 5.1515 5.1938 5.4839 5.5499
6.1793 6.2341 6.7113 6.7669 6.9573 7.0886 10.9737 11.0024
11.4465 11.4984 12.2461 12.2617 12.7260 12.7860 13.9799 14.1145
k = 0.5000-0.5000-0.3030 ( 4120 PWs) bands (ev):
-4.9415 -4.9402 -4.6330 -4.6323 1.8144 1.8592 2.0523 2.0751
2.4776 2.5229 3.3953 3.4803 3.5438 3.5818 3.6406 3.6878
3.8176 3.8306 3.9790 4.0260 4.0835 4.1699 4.2566 4.3829
4.4216 4.4610 4.5252 4.5754 4.6104 4.6707 4.7022 4.7997
4.8677 4.9167 4.9676 5.0057 5.1405 5.1848 5.4133 5.4817
6.1686 6.2224 6.6719 6.7217 6.9051 7.0380 11.0759 11.1054
11.5425 11.5860 12.2447 12.2623 12.7983 12.8746 13.9809 14.1318
k = 0.5000-0.5000-0.3182 ( 4120 PWs) bands (ev):
-4.9337 -4.9325 -4.6312 -4.6306 1.8210 1.8674 2.0472 2.0720
2.4346 2.4847 3.4139 3.4992 3.5615 3.5962 3.6554 3.7058
3.8268 3.8413 3.9851 4.0349 4.0977 4.1850 4.2578 4.3816
4.4172 4.4598 4.5236 4.5773 4.6046 4.6692 4.6955 4.7983
4.8643 4.9144 4.9661 4.9961 5.1285 5.1743 5.3459 5.4181
6.1615 6.2145 6.6339 6.6779 6.8533 6.9874 11.1702 11.2006
11.6325 11.6696 12.2455 12.2655 12.8778 12.9708 13.9827 14.1507
k = 0.5000-0.5000-0.3333 ( 4120 PWs) bands (ev):
-4.9262 -4.9251 -4.6296 -4.6290 1.8285 1.8763 2.0423 2.0692
2.3921 2.4468 3.4326 3.5172 3.5789 3.6106 3.6691 3.7206
3.8379 3.8539 3.9917 4.0441 4.1129 4.2005 4.2599 4.3793
4.4133 4.4591 4.5218 4.5770 4.6004 4.6674 4.6885 4.7962
4.8596 4.9109 4.9645 4.9857 5.1152 5.1618 5.2827 5.3601
6.1579 6.2102 6.5975 6.6358 6.8021 6.9368 11.2554 11.2863
11.7165 11.7504 12.2482 12.2715 12.9638 13.0735 13.9851 14.1701
k = 0.5000-0.5000-0.3485 ( 4112 PWs) bands (ev):
-4.9191 -4.9180 -4.6280 -4.6274 1.8370 1.8859 2.0374 2.0669
2.3506 2.4096 3.4513 3.5341 3.5959 3.6249 3.6815 3.7318
3.8515 3.8678 3.9991 4.0544 4.1283 4.2159 4.2633 4.3760
4.4104 4.4590 4.5199 4.5735 4.5989 4.6648 4.6818 4.7936
4.8534 4.9062 4.9619 4.9750 5.1007 5.1463 5.2258 5.3089
6.1580 6.2096 6.5632 6.5958 6.7518 6.8866 11.3304 11.3611
11.7947 11.8291 12.2525 12.2801 13.0557 13.1811 13.9883 14.1882
k = 0.5000-0.5000-0.3636 ( 4112 PWs) bands (ev):
-4.9124 -4.9114 -4.6265 -4.6260 1.8465 1.8962 2.0325 2.0651
2.3102 2.3733 3.4698 3.5494 3.6123 3.6391 3.6925 3.7395
3.8667 3.8821 4.0080 4.0664 4.1432 4.2304 4.2683 4.3715
4.4089 4.4594 4.5177 4.5674 4.5993 4.6599 4.6766 4.7903
4.8456 4.8992 4.9553 4.9674 5.0847 5.1253 5.1789 5.2653
6.1615 6.2125 6.5313 6.5585 6.7025 6.8371 11.3948 11.4245
11.8675 11.9053 12.2582 12.2911 13.1521 13.2919 13.9919 14.2006
k = 0.5000-0.5000-0.3788 ( 4116 PWs) bands (ev):
-4.9062 -4.9053 -4.6252 -4.6247 1.8571 1.9072 2.0278 2.0639
2.2713 2.3380 3.4877 3.5627 3.6280 3.6533 3.7022 3.7443
3.8821 3.8963 4.0189 4.0804 4.1572 4.2427 4.2751 4.3662
4.4087 4.4605 4.5153 4.5601 4.6000 4.6519 4.6740 4.7864
4.8359 4.8879 4.9450 4.9641 5.0674 5.0963 5.1469 5.2296
6.1684 6.2187 6.5019 6.5244 6.6546 6.7885 11.4490 11.4767
11.9350 11.9775 12.2651 12.3042 13.2518 13.4043 13.9959 14.2022
k = 0.5000-0.5000-0.3939 ( 4112 PWs) bands (ev):
-4.9006 -4.8997 -4.6239 -4.6235 1.8689 1.9188 2.0231 2.0634
2.2340 2.3041 3.5048 3.5737 3.6431 3.6670 3.7108 3.7469
3.8963 3.9094 4.0327 4.0967 4.1702 4.2516 4.2835 4.3605
4.4100 4.4621 4.5129 4.5527 4.5997 4.6421 4.6730 4.7819
4.8242 4.8699 4.9366 4.9621 5.0489 5.0656 5.1266 5.2007
6.1787 6.2279 6.4746 6.4946 6.6081 6.7412 11.4936 11.5185
11.9966 12.0442 12.2732 12.3192 13.3533 13.5168 13.9999 14.1946
k = 0.5000-0.5000-0.4091 ( 4120 PWs) bands (ev):
-4.8956 -4.8948 -4.6228 -4.6224 1.8818 1.9309 2.0183 2.0637
2.1988 2.2718 3.5209 3.5822 3.6575 3.6802 3.7180 3.7477
3.9085 3.9208 4.0498 4.1150 4.1820 4.2571 4.2914 4.3554
4.4125 4.4642 4.5111 4.5454 4.5968 4.6325 4.6727 4.7770
4.8101 4.8456 4.9324 4.9604 5.0284 5.0417 5.1119 5.1772
6.1922 6.2399 6.4486 6.4706 6.5633 6.6953 11.5297 11.5513
12.0511 12.1034 12.2828 12.3353 13.4549 13.6277 14.0035 14.1837
k = 0.5000-0.5000-0.4242 ( 4120 PWs) bands (ev):
-4.8912 -4.8906 -4.6219 -4.6215 1.8959 1.9435 2.0135 2.0646
2.1661 2.2412 3.5358 3.5883 3.6710 3.6924 3.7241 3.7472
3.9184 3.9297 4.0702 4.1350 4.1929 4.2589 4.2969 4.3514
4.4164 4.4664 4.5103 4.5388 4.5898 4.6254 4.6725 4.7718
4.7926 4.8201 4.9318 4.9591 5.0088 5.0245 5.1010 5.1576
6.2087 6.2541 6.4239 6.4532 6.5203 6.6514 11.5584 11.5764
12.0976 12.1524 12.2949 12.3516 13.5548 13.7357 14.0063 14.1734
k = 0.5000-0.5000-0.4394 ( 4120 PWs) bands (ev):
-4.8876 -4.8871 -4.6211 -4.6208 1.9110 1.9563 2.0085 2.0657
2.1371 2.2126 3.5492 3.5921 3.6836 3.7033 3.7288 3.7455
3.9261 3.9361 4.0932 4.1554 4.2027 4.2568 4.2990 4.3485
4.4218 4.4680 4.5100 4.5336 4.5798 4.6208 4.6725 4.7641
4.7722 4.8002 4.9340 4.9582 4.9931 5.0100 5.0936 5.1408
6.2283 6.2698 6.4012 6.4420 6.4797 6.6096 11.5807 11.5951
12.1358 12.1886 12.3109 12.3665 13.6506 13.8386 14.0076 14.1660
k = 0.5000-0.5000-0.4545 ( 4120 PWs) bands (ev):
-4.8847 -4.8843 -4.6204 -4.6202 1.9269 1.9688 2.0033 2.0641
2.1153 2.1863 3.5610 3.5936 3.6951 3.7126 3.7321 3.7428
3.9321 3.9402 4.1176 4.1746 4.2110 4.2507 4.2995 4.3447
4.4290 4.4691 4.5082 4.5303 4.5714 4.6162 4.6729 4.7415
4.7653 4.7866 4.9384 4.9578 4.9815 4.9967 5.0894 5.1263
6.2506 6.2862 6.3809 6.4323 6.4467 6.5706 11.5976 11.6083
12.1662 12.2107 12.3309 12.3785 13.7394 13.9315 14.0095 14.1640
k = 0.5000-0.5000-0.4697 ( 4112 PWs) bands (ev):
-4.8826 -4.8823 -4.6199 -4.6198 1.9431 1.9794 1.9995 2.0540
2.1071 2.1626 3.5712 3.5930 3.7053 3.7196 3.7337 3.7397
3.9367 3.9423 4.1423 4.1902 4.2164 4.2415 4.3015 4.3383
4.4380 4.4687 4.5053 4.5260 4.5700 4.6093 4.6749 4.7188
4.7629 4.7768 4.9447 4.9583 4.9730 4.9844 5.0886 5.1140
6.2756 6.3024 6.3628 6.4007 6.4456 6.5348 11.6096 11.6167
12.1894 12.2208 12.3518 12.3858 13.8178 13.9752 14.0466 14.1692
k = 0.5000-0.5000-0.4848 ( 4096 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9584 1.9804 2.0046 2.0368
2.1123 2.1419 3.5795 3.5905 3.7141 3.7230 3.7340 3.7369
3.9399 3.9429 4.1658 4.1962 4.2194 4.2324 4.3076 4.3287
4.4479 4.4651 4.5055 4.5186 4.5768 4.5995 4.6796 4.7009
4.7629 4.7698 4.9526 4.9598 4.9670 4.9731 5.0909 5.1038
6.3031 6.3178 6.3467 6.3665 6.4573 6.5033 11.6173 11.6209
12.2062 12.2223 12.3696 12.3871 13.8823 13.9621 14.1212 14.1824
k = 0.5000-0.5000-0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000-0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000-0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.5000-0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
k = 0.5000-0.4891-0.4891 ( 4096 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9547 1.9867 2.0041 2.0356
2.1148 2.1383 3.5776 3.5926 3.7125 3.7262 3.7331 3.7360
3.9402 3.9426 4.1678 4.1959 4.2158 4.2341 4.3068 4.3306
4.4443 4.4694 4.5050 4.5180 4.5796 4.5971 4.6750 4.7049
4.7627 4.7683 4.9539 4.9592 4.9677 4.9715 5.0919 5.1045
6.3000 6.3212 6.3408 6.3724 6.4543 6.5061 11.6155 11.6180
12.2037 12.2267 12.3668 12.3922 13.8940 13.9536 14.1380 14.1804
k = 0.5000-0.4783-0.4783 ( 4108 PWs) bands (ev):
-4.8827 -4.8824 -4.6200 -4.6198 1.9376 1.9862 2.0043 2.0533
2.1090 2.1552 3.5677 3.5976 3.7027 3.7257 3.7303 3.7390
3.9371 3.9418 4.1468 4.1899 4.2120 4.2406 4.3017 4.3431
4.4316 4.4779 4.5007 4.5276 4.5733 4.6071 4.6660 4.7241
4.7609 4.7730 4.9472 4.9578 4.9748 4.9809 5.0921 5.1167
6.2678 6.3100 6.3524 6.4116 6.4402 6.5403 11.6014 11.6063
12.1864 12.2323 12.3476 12.3982 13.8465 13.9627 14.0781 14.1555
k = 0.5000-0.4674-0.4674 ( 4120 PWs) bands (ev):
-4.8849 -4.8844 -4.6205 -4.6203 1.9208 1.9726 2.0166 2.0703
2.1092 2.1749 3.5563 3.6007 3.6913 3.7200 3.7260 3.7439
3.9327 3.9398 4.1247 4.1735 4.2076 4.2441 4.3029 4.3529
4.4205 4.4817 4.4983 4.5396 4.5700 4.6168 4.6612 4.7425
4.7603 4.7808 4.9415 4.9593 4.9831 4.9916 5.0965 5.1321
6.2381 6.2966 6.3663 6.4327 6.4558 6.5788 11.5789 11.5861
12.1651 12.2334 12.3247 12.3999 13.7908 13.9576 14.0132 14.1265
k = 0.5000-0.4565-0.4565 ( 4120 PWs) bands (ev):
-4.8879 -4.8873 -4.6211 -4.6209 1.9047 1.9589 2.0283 2.0819
2.1196 2.1973 3.5435 3.6015 3.6782 3.7123 3.7202 3.7491
3.9269 3.9363 4.1027 4.1540 4.1989 4.2444 4.3070 4.3594
4.4118 4.4808 4.4985 4.5513 4.5721 4.6252 4.6603 4.7531
4.7648 4.7943 4.9372 4.9644 4.9926 5.0039 5.1047 5.1498
6.2110 6.2813 6.3828 6.4371 6.4996 6.6208 11.5482 11.5574
12.1399 12.2292 12.2994 12.3976 13.7298 13.9279 13.9584 14.0941
k = 0.5000-0.4457-0.4457 ( 4120 PWs) bands (ev):
-4.8917 -4.8910 -4.6220 -4.6217 1.8895 1.9457 2.0393 2.0878
2.1403 2.2218 3.5292 3.5994 3.6639 3.7033 3.7133 3.7540
3.9196 3.9315 4.0812 4.1333 4.1877 4.2417 4.3106 4.3636
4.4048 4.4764 4.5013 4.5585 4.5826 4.6316 4.6626 4.7562
4.7734 4.8127 4.9345 4.9737 5.0037 5.0183 5.1162 5.1692
6.1866 6.2649 6.4020 6.4494 6.5462 6.6661 11.5097 11.5207
12.1109 12.2168 12.2749 12.3912 13.6661 13.8626 13.9282 14.0582
k = 0.5000-0.4348-0.4348 ( 4128 PWs) bands (ev):
-4.8963 -4.8955 -4.6230 -4.6227 1.8754 1.9333 2.0499 2.0926
2.1661 2.2483 3.5137 3.5935 3.6489 3.6934 3.7062 3.7585
3.9107 3.9253 4.0605 4.1127 4.1754 4.2362 4.3118 4.3671
4.3983 4.4701 4.5058 4.5629 4.5977 4.6362 4.6665 4.7595
4.7814 4.8316 4.9338 4.9866 5.0176 5.0352 5.1303 5.1896
6.1646 6.2486 6.4241 6.4689 6.5948 6.7144 11.4635 11.4762
12.0782 12.1924 12.2550 12.3811 13.6012 13.7904 13.8968 14.0193
k = 0.5000-0.4239-0.4239 ( 4130 PWs) bands (ev):
-4.9017 -4.9008 -4.6243 -4.6238 1.8624 1.9218 2.0602 2.0983
2.1947 2.2764 3.4972 3.5830 3.6341 3.6827 3.6994 3.7627
3.9003 3.9178 4.0404 4.0933 4.1627 4.2287 4.3109 4.3702
4.3918 4.4631 4.5115 4.5669 4.6130 4.6404 4.6708 4.7644
4.7892 4.8482 4.9353 5.0009 5.0357 5.0556 5.1465 5.2105
6.1453 6.2332 6.4490 6.4950 6.6453 6.7654 11.4105 11.4247
12.0418 12.1571 12.2393 12.3671 13.5363 13.7168 13.8610 13.9782
k = 0.5000-0.4130-0.4130 ( 4118 PWs) bands (ev):
-4.9079 -4.9069 -4.6257 -4.6252 1.8507 1.9113 2.0707 2.1057
2.2250 2.3060 3.4800 3.5678 3.6199 3.6712 3.6935 3.7667
3.8887 3.9090 4.0209 4.0756 4.1500 4.2199 4.3088 4.3708
4.3866 4.4564 4.5179 4.5707 4.6248 4.6464 4.6755 4.7703
4.7970 4.8621 4.9390 5.0143 5.0580 5.0809 5.1645 5.2317
6.1284 6.2191 6.4770 6.5269 6.6974 6.8190 11.3511 11.3670
12.0018 12.1142 12.2245 12.3495 13.4718 13.6427 13.8223 13.9356
k = 0.5000-0.4022-0.4022 ( 4110 PWs) bands (ev):
-4.9147 -4.9136 -4.6273 -4.6267 1.8402 1.9019 2.0813 2.1148
2.2568 2.3367 3.4622 3.5491 3.6058 3.6589 3.6888 3.7703
3.8758 3.8990 4.0020 4.0598 4.1376 4.2102 4.3062 4.3661
4.3853 4.4507 4.5246 4.5741 4.6302 4.6556 4.6815 4.7761
4.8052 4.8737 4.9447 5.0266 5.0821 5.1118 5.1842 5.2530
6.1140 6.2066 6.5080 6.5640 6.7509 6.8750 11.2864 11.3041
11.9582 12.0659 12.2084 12.3283 13.4080 13.5683 13.7821 13.8928
k = 0.5000-0.3913-0.3913 ( 4104 PWs) bands (ev):
-4.9223 -4.9210 -4.6291 -4.6285 1.8311 1.8936 2.0923 2.1257
2.2897 2.3684 3.4442 3.5282 3.5912 3.6458 3.6850 3.7735
3.8622 3.8877 3.9840 4.0460 4.1256 4.2002 4.3035 4.3575
4.3861 4.4466 4.5312 4.5772 4.6310 4.6647 4.6902 4.7808
4.8136 4.8839 4.9522 5.0383 5.1065 5.1458 5.2062 5.2747
6.1020 6.1958 6.5419 6.6055 6.8055 6.9330 11.2174 11.2369
11.9110 12.0132 12.1904 12.3036 13.3448 13.4938 13.7422 13.8507
k = 0.5000-0.3804-0.3804 ( 4108 PWs) bands (ev):
-4.9304 -4.9291 -4.6310 -4.6304 1.8232 1.8865 2.1039 2.1382
2.3234 2.4010 3.4263 3.5063 3.5758 3.6317 3.6817 3.7760
3.8481 3.8753 3.9671 4.0339 4.1141 4.1898 4.3011 4.3477
4.3865 4.4443 4.5376 4.5801 4.6295 4.6715 4.7015 4.7845
4.8214 4.8935 4.9612 5.0499 5.1309 5.1788 5.2325 5.2973
6.0922 6.1867 6.5785 6.6508 6.8608 6.9928 11.1450 11.1667
11.8603 11.9565 12.1702 12.2756 13.2816 13.4193 13.7039 13.8106
k = 0.5000-0.3696-0.3696 ( 4108 PWs) bands (ev):
-4.9392 -4.9378 -4.6332 -4.6325 1.8166 1.8807 2.1164 2.1522
2.3580 2.4341 3.4087 3.4842 3.5599 3.6169 3.6788 3.7776
3.8342 3.8622 3.9516 4.0233 4.1033 4.1791 4.2990 4.3375
4.3862 4.4439 4.5437 4.5830 4.6270 4.6765 4.7137 4.7875
4.8281 4.9026 4.9716 5.0614 5.1549 5.2063 5.2651 5.3218
6.0847 6.1793 6.6174 6.6993 6.9166 7.0540 11.0704 11.0945
11.8062 11.8961 12.1477 12.2445 13.2182 13.3450 13.6685 13.7732
k = 0.5000-0.3587-0.3587 ( 4106 PWs) bands (ev):
-4.9485 -4.9471 -4.6355 -4.6348 1.8113 1.8761 2.1297 2.1675
2.3930 2.4676 3.3917 3.4626 3.5435 3.6013 3.6757 3.7773
3.8213 3.8487 3.9376 4.0140 4.0933 4.1680 4.2976 4.3275
4.3853 4.4449 4.5494 4.5860 4.6241 4.6804 4.7255 4.7904
4.8332 4.9110 4.9835 5.0731 5.1776 5.2277 5.3031 5.3493
6.0794 6.1738 6.6580 6.7502 6.9723 7.1162 10.9948 11.0215
11.7489 11.8327 12.1230 12.2107 13.1540 13.2710 13.6370 13.7395
k = 0.5000-0.3478-0.3478 ( 4106 PWs) bands (ev):
-4.9583 -4.9568 -4.6380 -4.6372 1.8075 1.8727 2.1442 2.1842
2.4284 2.5013 3.3755 3.4418 3.5270 3.5853 3.6723 3.7737
3.8109 3.8354 3.9249 4.0059 4.0841 4.1564 4.2967 4.3181
4.3842 4.4471 4.5546 4.5891 4.6211 4.6837 4.7359 4.7937
4.8366 4.9183 4.9969 5.0850 5.1986 5.2449 5.3429 5.3810
6.0761 6.1700 6.6997 6.8027 7.0277 7.1789 10.9194 10.9487
11.6891 11.7668 12.0961 12.1744 13.0887 13.1974 13.6099 13.7099
k = 0.5000-0.3370-0.3370 ( 4110 PWs) bands (ev):
-4.9686 -4.9670 -4.6407 -4.6399 1.8049 1.8707 2.1597 2.2020
2.4639 2.5350 3.3602 3.4222 3.5107 3.5688 3.6684 3.7652
3.8042 3.8231 3.9134 3.9987 4.0756 4.1443 4.2962 4.3096
4.3832 4.4500 4.5594 4.5923 4.6185 4.6863 4.7445 4.7978
4.8385 4.9243 5.0116 5.0969 5.2172 5.2595 5.3822 5.4176
6.0749 6.1679 6.7419 6.8559 7.0821 7.2416 10.8452 10.8772
11.6274 11.6991 12.0670 12.1358 13.0223 13.1244 13.5877 13.6849
k = 0.5000-0.3261-0.3261 ( 4118 PWs) bands (ev):
-4.9793 -4.9777 -4.6436 -4.6427 1.8038 1.8699 2.1763 2.2210
2.4993 2.5683 3.3460 3.4039 3.4948 3.5521 3.6637 3.7529
3.7986 3.8137 3.9029 3.9925 4.0679 4.1319 4.2947 4.3036
4.3825 4.4535 4.5635 4.5951 4.6169 4.6885 4.7511 4.8030
4.8391 4.9288 5.0273 5.1089 5.2330 5.2727 5.4204 5.4583
6.0756 6.1676 6.7838 6.9088 7.1351 7.3035 10.7734 10.8080
11.5646 11.6306 12.0358 12.0952 12.9549 13.0522 13.5704 13.6644
k = 0.5000-0.3152-0.3152 ( 4114 PWs) bands (ev):
-4.9903 -4.9887 -4.6466 -4.6457 1.8041 1.8705 2.1942 2.2411
2.5343 2.6010 3.3331 3.3872 3.4796 3.5356 3.6584 3.7389
3.7905 3.8091 3.8933 3.9872 4.0608 4.1196 4.2900 4.3023
4.3823 4.4576 4.5670 4.5972 4.6169 4.6903 4.7556 4.8093
4.8386 4.9323 5.0435 5.1210 5.2456 5.2857 5.4584 5.5012
6.0783 6.1689 6.8246 6.9605 7.1860 7.3639 10.7050 10.7421
11.5019 11.5624 12.0024 12.0527 12.8868 12.9810 13.5578 13.6485
k = 0.5000-0.3043-0.3043 ( 4112 PWs) bands (ev):
-5.0017 -5.0000 -4.6498 -4.6489 1.8057 1.8723 2.2131 2.2621
2.5685 2.6328 3.3215 3.3721 3.4653 3.5194 3.6523 3.7241
3.7807 3.8075 3.8844 3.9827 4.0543 4.1078 4.2840 4.3037
4.3826 4.4620 4.5696 4.5985 4.6187 4.6917 4.7585 4.8163
4.8374 4.9349 5.0595 5.1332 5.2550 5.2991 5.4967 5.5447
6.0830 6.1720 6.8635 7.0098 7.2343 7.4220 10.6411 10.6803
11.4403 11.4957 11.9669 12.0083 12.8185 12.9109 13.5497 13.6367
k = 0.5000-0.2935-0.2935 ( 4112 PWs) bands (ev):
-5.0132 -5.0115 -4.6531 -4.6522 1.8088 1.8755 2.2330 2.2842
2.6017 2.6633 3.3114 3.3587 3.4520 3.5037 3.6454 3.7092
3.7711 3.8067 3.8761 3.9788 4.0484 4.0969 4.2782 4.3060
4.3837 4.4667 4.5711 4.5994 4.6221 4.6928 4.7601 4.8230
4.8361 4.9370 5.0750 5.1456 5.2617 5.3131 5.5352 5.5880
6.0895 6.1768 6.8998 7.0558 7.2794 7.4768 10.5826 10.6236
11.3812 11.4318 11.9292 11.9621 12.7506 12.8422 13.5457 13.6285
k = 0.5000-0.2826-0.2826 ( 4116 PWs) bands (ev):
-5.0250 -5.0232 -4.6566 -4.6556 1.8132 1.8800 2.2540 2.3071
2.6336 2.6922 3.3027 3.3471 3.4399 3.4890 3.6378 3.6945
3.7622 3.8056 3.8684 3.9754 4.0431 4.0873 4.2730 4.3086
4.3853 4.4718 4.5715 4.6005 4.6264 4.6937 4.7606 4.8272
4.8370 4.9389 5.0895 5.1581 5.2666 5.3274 5.5738 5.6306
6.0980 6.1834 6.9327 7.0975 7.3204 7.5273 10.5303 10.5726
11.3258 11.3718 11.8891 11.9140 12.6836 12.7751 13.5454 13.6231
k = 0.5000-0.2717-0.2717 ( 4120 PWs) bands (ev):
-5.0368 -5.0351 -4.6602 -4.6592 1.8191 1.8858 2.2760 2.3309
2.6636 2.7191 3.2956 3.3373 3.4292 3.4753 3.6296 3.6801
3.7542 3.8041 3.8611 3.9723 4.0385 4.0794 4.2686 4.3115
4.3877 4.4771 4.5709 4.6022 4.6311 4.6944 4.7602 4.8266
4.8425 4.9405 5.1029 5.1706 5.2704 5.3420 5.6121 5.6719
6.1084 6.1916 6.9615 7.1338 7.3567 7.5725 10.4852 10.5282
11.2754 11.3171 11.8467 11.8640 12.6181 12.7100 13.5482 13.6188
k = 0.5000-0.2609-0.2609 ( 4124 PWs) bands (ev):
-5.0488 -5.0471 -4.6639 -4.6629 1.8263 1.8928 2.2988 2.3554
2.6916 2.7438 3.2901 3.3292 3.4198 3.4628 3.6209 3.6663
3.7471 3.8018 3.8541 3.9695 4.0350 4.0733 4.2649 4.3143
4.3908 4.4826 4.5694 4.6044 4.6361 4.6949 4.7592 4.8244
4.8494 4.9422 5.1149 5.1830 5.2738 5.3569 5.6499 5.7117
6.1207 6.2016 6.9857 7.1640 7.3876 7.6113 10.4479 10.4909
11.2309 11.2686 11.8018 11.8122 12.5547 12.6471 13.5534 13.6133
k = 0.5000-0.2500-0.2500 ( 4130 PWs) bands (ev):
-5.0608 -5.0590 -4.6677 -4.6667 1.8349 1.9011 2.3225 2.3806
2.7171 2.7659 3.2862 3.3228 3.4118 3.4518 3.6116 3.6531
3.7412 3.7989 3.8475 3.9670 4.0328 4.0689 4.2621 4.3169
4.3945 4.4882 4.5675 4.6069 4.6411 4.6954 4.7577 4.8221
4.8565 4.9438 5.1257 5.1950 5.2774 5.3719 5.6869 5.7498
6.1350 6.2132 7.0049 7.1873 7.4125 7.6428 10.4189 10.4613
11.1935 11.2274 11.7538 11.7592 12.4939 12.5867 13.5596 13.6056
k = 0.5000-0.2391-0.2391 ( 4134 PWs) bands (ev):
-5.0727 -5.0710 -4.6715 -4.6705 1.8448 1.9106 2.3468 2.4064
2.7398 2.7853 3.2840 3.3179 3.4052 3.4422 3.6018 3.6405
3.7364 3.7954 3.8411 3.9649 4.0322 4.0661 4.2601 4.3194
4.3987 4.4937 4.5653 4.6094 4.6458 4.6960 4.7559 4.8201
4.8635 4.9455 5.1353 5.2062 5.2819 5.3871 5.7228 5.7858
6.1511 6.2266 7.0187 7.2034 7.4308 7.6660 10.3987 10.4399
11.1638 11.1941 11.7008 11.7071 12.4361 12.5291 13.5633 13.5991
k = 0.5000-0.2283-0.2283 ( 4126 PWs) bands (ev):
-5.0845 -5.0828 -4.6755 -4.6745 1.8560 1.9212 2.3717 2.4327
2.7595 2.8018 3.2834 3.3143 3.3997 3.4341 3.5916 3.6288
3.7329 3.7915 3.8352 3.9635 4.0332 4.0647 4.2590 4.3217
4.4033 4.4991 4.5629 4.6117 4.6499 4.6970 4.7542 4.8185
4.8702 4.9473 5.1438 5.2161 5.2881 5.4028 5.7574 5.8196
6.1691 6.2416 7.0271 7.2121 7.4421 7.6802 10.3873 10.4270
11.1423 11.1692 11.6441 11.6548 12.3815 12.4743 13.5596 13.5995
k = 0.5000-0.2174-0.2174 ( 4126 PWs) bands (ev):
-5.0961 -5.0945 -4.6794 -4.6784 1.8683 1.9328 2.3972 2.4594
2.7760 2.8155 3.2840 3.3118 3.3952 3.4271 3.5810 3.6178
3.7307 3.7873 3.8298 3.9628 4.0356 4.0647 4.2587 4.3239
4.4083 4.5042 4.5604 4.6137 4.6534 4.6985 4.7528 4.8172
4.8767 4.9490 5.1516 5.2245 5.2962 5.4187 5.7904 5.8511
6.1887 6.2581 7.0299 7.2133 7.4460 7.6850 10.3848 10.4227
11.1290 11.1527 11.5857 11.6009 12.3306 12.4227 13.5505 13.6035
k = 0.5000-0.2065-0.2065 ( 4110 PWs) bands (ev):
-5.1076 -5.1060 -4.6834 -4.6824 1.8818 1.9454 2.4230 2.4864
2.7895 2.8264 3.2858 3.3100 3.3915 3.4211 3.5705 3.6076
3.7298 3.7832 3.8253 3.9631 4.0392 4.0662 4.2594 4.3260
4.4134 4.5088 4.5579 4.6153 4.6561 4.7009 4.7520 4.8162
4.8829 4.9508 5.1587 5.2314 5.3067 5.4352 5.8217 5.8801
6.2097 6.2761 7.0276 7.2074 7.4423 7.6800 10.3910 10.4270
11.1237 11.1446 11.5262 11.5454 12.2833 12.3742 13.5404 13.6049
k = 0.5000-0.1957-0.1957 ( 4108 PWs) bands (ev):
-5.1188 -5.1172 -4.6874 -4.6864 1.8962 1.9588 2.4491 2.5136
2.8000 2.8348 3.2882 3.3087 3.3882 3.4154 3.5602 3.5982
3.7298 3.7793 3.8221 3.9641 4.0435 4.0693 4.2609 4.3280
4.4186 4.5127 4.5553 4.6162 4.6581 4.7041 4.7519 4.8154
4.8887 4.9525 5.1652 5.2371 5.3192 5.4522 5.8513 5.9068
6.2317 6.2951 7.0203 7.1947 7.4314 7.6655 10.4055 10.4397
11.1258 11.1443 11.4661 11.4886 12.2397 12.3289 13.5313 13.6022
k = 0.5000-0.1848-0.1848 ( 4116 PWs) bands (ev):
-5.1297 -5.1282 -4.6913 -4.6904 1.9116 1.9728 2.4753 2.5408
2.8078 2.8410 3.2909 3.3076 3.3849 3.4098 3.5506 3.5896
3.7304 3.7761 3.8206 3.9656 4.0482 4.0742 4.2632 4.3301
4.4238 4.5159 4.5525 4.6164 4.6598 4.7078 4.7529 4.8147
4.8942 4.9540 5.1715 5.2423 5.3336 5.4698 5.8791 5.9312
6.2542 6.3152 7.0085 7.1759 7.4134 7.6417 10.4276 10.4603
11.1340 11.1512 11.4061 11.4312 12.1998 12.2868 13.5237 13.5973
k = 0.5000-0.1739-0.1739 ( 4108 PWs) bands (ev):
-5.1402 -5.1388 -4.6952 -4.6943 1.9277 1.9875 2.5016 2.5681
2.8133 2.8454 3.2929 3.3069 3.3811 3.4038 3.5420 3.5819
3.7313 3.7737 3.8214 3.9675 4.0532 4.0811 4.2663 4.3322
4.4291 4.5183 4.5497 4.6159 4.6616 4.7115 4.7550 4.8142
4.8992 4.9554 5.1775 5.2473 5.3498 5.4881 5.9050 5.9536
6.2768 6.3359 6.9930 7.1519 7.3891 7.6095 10.4565 10.4880
11.1467 11.1641 11.3470 11.3740 12.1635 12.2479 13.5181 13.5923
k = 0.5000-0.1630-0.1630 ( 4108 PWs) bands (ev):
-5.1504 -5.1490 -4.6990 -4.6981 1.9444 2.0025 2.5278 2.5952
2.8168 2.8483 3.2928 3.3072 3.3763 3.3975 3.5347 3.5752
3.7320 3.7719 3.8246 3.9694 4.0586 4.0896 4.2701 4.3344
4.4343 4.5198 4.5468 4.6149 4.6637 4.7147 4.7583 4.8139
4.9038 4.9565 5.1835 5.2525 5.3674 5.5072 5.9289 5.9740
6.2986 6.3571 6.9742 7.1233 7.3593 7.5697 10.4914 10.5221
11.1610 11.1814 11.2905 11.3187 12.1308 12.2121 13.5144 13.5880
k = 0.5000-0.1522-0.1522 ( 4112 PWs) bands (ev):
-5.1601 -5.1588 -4.7027 -4.7019 1.9616 2.0177 2.5537 2.6220
2.8190 2.8501 3.2893 3.3091 3.3695 3.3913 3.5291 3.5697
3.7326 3.7705 3.8303 3.9710 4.0649 4.0993 4.2746 4.3367
4.4396 4.5203 4.5438 4.6135 4.6661 4.7171 4.7626 4.8138
4.9077 4.9573 5.1895 5.2580 5.3866 5.5273 5.9509 5.9930
6.3189 6.3784 6.9529 7.0911 7.3250 7.5235 10.5311 10.5613
11.1686 11.1977 11.2433 11.2710 12.1014 12.1794 13.5129 13.5850
k = 0.5000-0.1413-0.1413 ( 4098 PWs) bands (ev):
-5.1693 -5.1681 -4.7063 -4.7055 1.9791 2.0330 2.5793 2.6484
2.8202 2.8513 3.2827 3.3116 3.3604 3.3859 3.5250 3.5654
3.7332 3.7693 3.8383 3.9722 4.0722 4.1100 4.2798 4.3390
4.4451 4.5201 4.5409 4.6122 4.6685 4.7186 4.7679 4.8142
4.9112 4.9579 5.1956 5.2640 5.4073 5.5485 5.9709 6.0108
6.3371 6.3994 6.9297 7.0561 7.2874 7.4721 10.5743 10.6045
11.1477 11.1794 11.2386 11.2522 12.0753 12.1497 13.5135 13.5832
k = 0.5000-0.1304-0.1304 ( 4106 PWs) bands (ev):
-5.1780 -5.1768 -4.7097 -4.7089 1.9966 2.0480 2.6043 2.6739
2.8210 2.8523 3.2732 3.3131 3.3497 3.3814 3.5225 3.5622
3.7339 3.7681 3.8478 3.9728 4.0807 4.1210 4.2854 4.3412
4.4509 4.5189 4.5382 4.6109 4.6706 4.7192 4.7737 4.8151
4.9140 4.9579 5.2017 5.2703 5.4297 5.5708 5.9886 6.0279
6.3523 6.4195 6.9051 7.0193 7.2478 7.4171 10.6198 10.6501
11.1038 11.1337 11.2586 11.2667 12.0522 12.1229 13.5161 13.5828
k = 0.5000-0.1196-0.1196 ( 4102 PWs) bands (ev):
-5.1861 -5.1850 -4.7129 -4.7122 2.0141 2.0626 2.6285 2.6982
2.8220 2.8535 3.2610 3.3110 3.3402 3.3777 3.5213 3.5601
3.7349 3.7669 3.8583 3.9727 4.0903 4.1322 4.2915 4.3434
4.4571 4.5169 4.5360 4.6099 4.6724 4.7191 4.7797 4.8167
4.9163 4.9577 5.2080 5.2768 5.4537 5.5944 6.0040 6.0446
6.3640 6.4383 6.8796 6.9816 7.2076 7.3598 10.6657 10.6964
11.0572 11.0859 11.2808 11.2911 12.0321 12.0988 13.5207 13.5837
k = 0.5000-0.1087-0.1087 ( 4102 PWs) bands (ev):
-5.1936 -5.1926 -4.7160 -4.7153 2.0312 2.0767 2.6517 2.7205
2.8241 2.8555 3.2464 3.3017 3.3359 3.3746 3.5213 3.5588
3.7361 3.7657 3.8691 3.9720 4.1009 4.1431 4.2981 4.3454
4.4636 4.5141 4.5344 4.6091 4.6735 4.7181 4.7855 4.8189
4.9180 4.9570 5.2143 5.2831 5.4796 5.6193 6.0171 6.0613
6.3713 6.4551 6.8537 6.9438 7.1680 7.3019 10.7098 10.7411
11.0142 11.0418 11.3037 11.3163 12.0148 12.0774 13.5273 13.5858
k = 0.5000-0.0978-0.0978 ( 4106 PWs) bands (ev):
-5.2005 -5.1996 -4.7188 -4.7182 2.0478 2.0899 2.6734 2.7397
2.8284 2.8589 3.2297 3.2860 3.3361 3.3719 3.5223 3.5581
3.7375 3.7645 3.8797 3.9707 4.1122 4.1535 4.3049 4.3473
4.4705 4.5106 4.5335 4.6084 4.6738 4.7166 4.7910 4.8217
4.9194 4.9560 5.2208 5.2889 5.5072 5.6453 6.0281 6.0783
6.3738 6.4690 6.8275 6.9069 7.1304 7.2452 10.7484 10.7804
10.9789 11.0054 11.3259 11.3403 12.0001 12.0585 13.5355 13.5890
k = 0.5000-0.0870-0.0870 ( 4106 PWs) bands (ev):
-5.2068 -5.2060 -4.7214 -4.7208 2.0637 2.1020 2.6933 2.7544
2.8361 2.8646 3.2115 3.2672 3.3379 3.3696 3.5241 3.5577
3.7391 3.7633 3.8899 3.9690 4.1238 4.1631 4.3119 4.3492
4.4775 4.5068 4.5334 4.6078 4.6735 4.7144 4.7962 4.8249
4.9205 4.9546 5.2274 5.2938 5.5365 5.6720 6.0373 6.0957
6.3709 6.4791 6.8017 6.8714 7.0958 7.1915 10.7754 10.8073
10.9575 10.9829 11.3466 11.3621 11.9879 12.0419 13.5452 13.5929
k = 0.5000-0.0761-0.0761 ( 4102 PWs) bands (ev):
-5.2123 -5.2116 -4.7237 -4.7232 2.0786 2.1129 2.7108 2.7640
2.8472 2.8735 3.1922 3.2467 3.3402 3.3676 3.5266 3.5575
3.7408 3.7622 3.8994 3.9669 4.1355 4.1717 4.3190 4.3510
4.4839 4.5030 4.5345 4.6070 4.6727 4.7116 4.8012 4.8282
4.9215 4.9528 5.2341 5.2975 5.5674 5.6987 6.0452 6.1136
6.3625 6.4845 6.7770 6.8379 7.0652 7.1426 10.7842 10.8131
10.9574 10.9809 11.3654 11.3813 11.9782 12.0274 13.5561 13.5974
k = 0.5000-0.0652-0.0652 ( 4098 PWs) bands (ev):
-5.2172 -5.2166 -4.7257 -4.7253 2.0924 2.1224 2.7255 2.7692
2.8607 2.8862 3.1724 3.2252 3.3425 3.3656 3.5295 3.5573
3.7425 3.7610 3.9082 3.9645 4.1467 4.1791 4.3259 4.3528
4.4889 4.4998 4.5369 4.6058 4.6716 4.7083 4.8060 4.8311
4.9226 4.9508 5.2409 5.2997 5.5994 5.7244 6.0525 6.1319
6.3489 6.4841 6.7544 6.8066 7.0391 7.0999 10.7762 10.8002
10.9761 10.9972 11.3818 11.3975 11.9708 12.0146 13.5677 13.6022
k = 0.5000-0.0543-0.0543 ( 4092 PWs) bands (ev):
-5.2214 -5.2208 -4.7275 -4.7271 2.1049 2.1303 2.7374 2.7714
2.8755 2.9019 3.1529 3.2031 3.3447 3.3638 3.5327 3.5568
3.7443 3.7598 3.9161 3.9618 4.1572 4.1850 4.3326 4.3547
4.4913 4.4979 4.5412 4.6039 4.6708 4.7045 4.8107 4.8334
4.9240 4.9486 5.2478 5.3003 5.6321 5.7477 6.0602 6.1502
6.3314 6.4768 6.7351 6.7781 7.0180 7.0644 10.7604 10.7796
11.0025 11.0214 11.3960 11.4106 11.9656 12.0035 13.5796 13.6071
k = 0.5000-0.0435-0.0435 ( 4106 PWs) bands (ev):
-5.2248 -5.2243 -4.7289 -4.7287 2.1158 2.1365 2.7465 2.7719
2.8913 2.9188 3.1346 3.1810 3.3468 3.3620 3.5361 3.5560
3.7460 3.7585 3.9231 3.9589 4.1667 4.1894 4.3386 4.3562
4.4908 4.4975 4.5473 4.6011 4.6706 4.7000 4.8152 4.8347
4.9256 4.9461 5.2548 5.2993 5.6647 5.7667 6.0694 6.1667
6.3132 6.4619 6.7197 6.7531 7.0019 7.0362 10.7435 10.7586
11.0294 11.0458 11.4078 11.4207 11.9624 11.9937 13.5911 13.6117
k = 0.5000-0.0326-0.0326 ( 4114 PWs) bands (ev):
-5.2274 -5.2271 -4.7301 -4.7299 2.1251 2.1408 2.7534 2.7713
2.9077 2.9344 3.1189 3.1594 3.3489 3.3602 3.5394 3.5548
3.7477 3.7572 3.9294 3.9557 4.1749 4.1922 4.3441 4.3574
4.4899 4.4969 4.5546 4.5971 4.6715 4.6953 4.8195 4.8350
4.9275 4.9434 5.2619 5.2968 5.6961 5.7794 6.0813 6.1770
6.3008 6.4396 6.7087 6.7328 6.9907 7.0148 10.7290 10.7403
11.0533 11.0664 11.4174 11.4277 11.9611 11.9852 13.6016 13.6158
k = 0.5000-0.0217-0.0217 ( 4110 PWs) bands (ev):
-5.2293 -5.2291 -4.7309 -4.7307 2.1326 2.1431 2.7586 2.7700
2.9237 2.9461 3.1081 3.1393 3.3509 3.3584 3.5428 3.5532
3.7494 3.7558 3.9350 3.9523 4.1818 4.1935 4.3488 4.3578
4.4897 4.4955 4.5627 4.5920 4.6735 4.6903 4.8236 4.8344
4.9298 4.9407 5.2689 5.2930 5.7249 5.7843 6.0969 6.1745
6.3028 6.4115 6.7021 6.7176 6.9840 6.9994 10.7185 10.7260
11.0721 11.0813 11.4247 11.4320 11.9615 11.9780 13.6103 13.6188
k = 0.5000-0.0109-0.0109 ( 4116 PWs) bands (ev):
-5.2304 -5.2303 -4.7313 -4.7313 2.1382 2.1435 2.7625 2.7681
2.9379 2.9510 3.1045 3.1220 3.3528 3.3565 3.5459 3.5512
3.7511 3.7542 3.9400 3.9486 4.1871 4.1930 4.3526 4.3571
4.4903 4.4937 4.5708 4.5858 4.6767 4.6854 4.8272 4.8328
4.9323 4.9379 5.2757 5.2880 5.7497 5.7807 6.1160 6.1590
6.3207 6.3799 6.6996 6.7072 6.9816 6.9891 10.7127 10.7164
11.0848 11.0896 11.4299 11.4337 11.9636 11.9719 13.6164 13.6204
k = 0.5000-0.0000-0.0000 ( 4116 PWs) bands (ev):
-5.2307 -5.2307 -4.7315 -4.7315 2.1419 2.1419 2.7656 2.7656
2.9478 2.9478 3.1096 3.1096 3.3547 3.3547 3.5487 3.5487
3.7527 3.7527 3.9445 3.9445 4.1909 4.1909 4.3554 4.3554
4.4918 4.4918 4.5786 4.5786 4.6807 4.6807 4.8303 4.8303
4.9351 4.9351 5.2822 5.2822 5.7688 5.7688 6.1377 6.1377
6.3483 6.3483 6.7013 6.7013 6.9833 6.9833 10.7119 10.7119
11.0908 11.0908 11.4330 11.4330 11.9671 11.9671 13.6198 13.6198
k = 0.5000-0.0000-0.0000 ( 4116 PWs) bands (ev):
-5.2307 -5.2307 -4.7315 -4.7315 2.1419 2.1419 2.7656 2.7656
2.9478 2.9478 3.1096 3.1096 3.3547 3.3547 3.5487 3.5487
3.7527 3.7527 3.9445 3.9445 4.1909 4.1909 4.3554 4.3554
4.4918 4.4918 4.5786 4.5786 4.6807 4.6807 4.8303 4.8303
4.9351 4.9351 5.2822 5.2822 5.7688 5.7688 6.1377 6.1377
6.3483 6.3483 6.7013 6.7013 6.9833 6.9833 10.7119 10.7119
11.0908 11.0908 11.4330 11.4330 11.9671 11.9671 13.6198 13.6198
k = 0.5000-0.0109 0.0109 ( 4116 PWs) bands (ev):
-5.2304 -5.2303 -4.7313 -4.7313 2.1382 2.1437 2.7601 2.7679
2.9404 2.9528 3.1076 3.1171 3.3532 3.3566 3.5457 3.5500
3.7512 3.7542 3.9429 3.9461 4.1823 4.1985 4.3449 4.3646
4.4844 4.4994 4.5691 4.5882 4.6763 4.6854 4.8257 4.8345
4.9327 4.9369 5.2791 5.2854 5.7567 5.7729 6.1112 6.1655
6.3182 6.3789 6.6960 6.7129 6.9819 6.9891 10.7117 10.7157
11.0889 11.0903 11.4304 11.4332 11.9645 11.9714 13.6007 13.6059
k = 0.5000-0.0217 0.0217 ( 4110 PWs) bands (ev):
-5.2293 -5.2291 -4.7309 -4.7307 2.1326 2.1436 2.7514 2.7669
2.9319 2.9546 3.1116 3.1287 3.3520 3.3589 3.5411 3.5498
3.7499 3.7559 3.9414 3.9477 4.1728 4.2049 4.3335 4.3724
4.4780 4.5060 4.5605 4.5970 4.6722 4.6901 4.8206 4.8380
4.9298 4.9382 5.2764 5.2886 5.7374 5.7689 6.0882 6.1906
6.2937 6.4057 6.6983 6.7295 6.9848 6.9995 10.7147 10.7228
11.0850 11.0877 11.4254 11.4312 11.9638 11.9774 13.5610 13.5712
k = 0.5000-0.0326 0.0326 ( 4114 PWs) bands (ev):
-5.2274 -5.2271 -4.7301 -4.7298 2.1253 2.1416 2.7395 2.7625
2.9236 2.9538 3.1211 3.1429 3.3512 3.3616 3.5349 3.5481
3.7486 3.7576 3.9398 3.9493 4.1624 4.2096 4.3217 4.3786
4.4730 4.5098 4.5548 4.6044 4.6688 4.6950 4.8155 4.8405
4.9265 4.9388 5.2742 5.2915 5.7119 5.7570 6.0693 6.2051
6.2820 6.4254 6.7097 6.7504 6.9924 7.0150 10.7204 10.7327
11.0794 11.0837 11.4181 11.4269 11.9647 11.9849 13.5140 13.5298
k = 0.5000-0.0435 0.0435 ( 4106 PWs) bands (ev):
-5.2247 -5.2243 -4.7289 -4.7286 2.1163 2.1378 2.7245 2.7550
2.9165 2.9517 3.1346 3.1588 3.3506 3.3648 3.5272 3.5453
3.7475 3.7594 3.9381 3.9511 4.1513 4.2120 4.3105 4.3833
4.4697 4.5089 4.5536 4.6100 4.6664 4.6999 4.8104 4.8422
4.9229 4.9387 5.2724 5.2939 5.6818 5.7378 6.0546 6.2032
6.2875 6.4369 6.7298 6.7749 7.0049 7.0367 10.7276 10.7442
11.0734 11.0796 11.4084 11.4204 11.9672 11.9936 13.4651 13.4869
k = 0.5000-0.0543 0.0543 ( 4092 PWs) bands (ev):
-5.2213 -5.2207 -4.7275 -4.7271 2.1057 2.1322 2.7069 2.7442
2.9110 2.9496 3.1506 3.1755 3.3500 3.3685 3.5183 3.5416
3.7466 3.7613 3.9361 3.9528 4.1392 4.2115 4.3011 4.3864
4.4681 4.5038 4.5565 4.6135 4.6650 4.7050 4.8057 4.8428
4.9191 4.9381 5.2711 5.2955 5.6487 5.7124 6.0432 6.1932
6.2999 6.4410 6.7573 6.8016 7.0224 7.0654 10.7346 10.7557
11.0687 11.0771 11.3964 11.4118 11.9710 12.0034 13.4170 13.4448
k = 0.5000-0.0652 0.0652 ( 4098 PWs) bands (ev):
-5.2171 -5.2165 -4.7257 -4.7253 2.0935 2.1249 2.6870 2.7305
2.9071 2.9482 3.1677 3.1925 3.3494 3.3726 3.5085 3.5371
3.7458 3.7634 3.9336 3.9543 4.1260 4.2073 4.2945 4.3881
4.4675 4.4970 4.5610 4.6150 4.6644 4.7100 4.8014 4.8423
4.9151 4.9370 5.2699 5.2962 5.6141 5.6823 6.0344 6.1823
6.3097 6.4396 6.7903 6.8289 7.0449 7.1021 10.7393 10.7647
11.0676 11.0786 11.3822 11.4011 11.9758 12.0140 13.3708 13.4048
k = 0.5000-0.0761 0.0761 ( 4102 PWs) bands (ev):
-5.2122 -5.2114 -4.7236 -4.7232 2.0800 2.1159 2.6652 2.7141
2.9049 2.9481 3.1845 3.2095 3.3485 3.3771 3.4980 3.5324
3.7454 3.7656 3.9305 3.9558 4.1119 4.2000 4.2911 4.3885
4.4670 4.4909 4.5653 4.6154 4.6641 4.7149 4.7979 4.8408
4.9109 4.9354 5.2686 5.2959 5.5792 5.6489 6.0272 6.1722
6.3141 6.4345 6.8272 6.8553 7.0721 7.1466 10.7394 10.7688
11.0726 11.0865 11.3662 11.3885 11.9813 12.0252 13.3276 13.3678
k = 0.5000-0.0870 0.0870 ( 4106 PWs) bands (ev):
-5.2066 -5.2057 -4.7213 -4.7208 2.0654 2.1055 2.6420 2.6955
2.9041 2.9493 3.2001 3.2265 3.3472 3.3819 3.4874 3.5276
3.7454 3.7680 3.9267 3.9570 4.0969 4.1906 4.2902 4.3877
4.4652 4.4877 4.5683 4.6155 4.6638 4.7194 4.7950 4.8383
4.9067 4.9337 5.2667 5.2948 5.5453 5.6137 6.0206 6.1627
6.3128 6.4267 6.8652 6.8819 7.1034 7.1979 10.7334 10.7661
11.0859 11.1024 11.3485 11.3742 11.9873 12.0367 13.2882 13.3342
k = 0.5000-0.0978 0.0978 ( 4106 PWs) bands (ev):
-5.2003 -5.1993 -4.7187 -4.7181 2.0497 2.0937 2.6178 2.6750
2.9045 2.9516 3.2136 3.2436 3.3454 3.3870 3.4770 3.5232
3.7459 3.7705 3.9220 3.9578 4.0814 4.1804 4.2909 4.3859
4.4615 4.4882 4.5697 4.6158 4.6632 4.7231 4.7928 4.8351
4.9025 4.9319 5.2631 5.2934 5.5128 5.5780 6.0139 6.1531
6.3070 6.4164 6.8957 6.9163 7.1380 7.2540 10.7209 10.7560
11.1078 11.1268 11.3298 11.3584 11.9936 12.0485 13.2529 13.3047
k = 0.5000-0.1087 0.1087 ( 4102 PWs) bands (ev):
-5.1933 -5.1923 -4.7158 -4.7152 2.0332 2.0807 2.5928 2.6531
2.9059 2.9549 3.2245 3.2605 3.3431 3.3919 3.4672 3.5193
3.7470 3.7732 3.9161 3.9579 4.0663 4.1703 4.2925 4.3832
4.4571 4.4909 4.5693 4.6166 4.6624 4.7257 4.7912 4.8317
4.8984 4.9302 5.2569 5.2923 5.4822 5.5432 6.0065 6.1425
6.2979 6.4040 6.9184 6.9579 7.1753 7.3128 10.7028 10.7397
11.1376 11.1584 11.3107 11.3419 12.0001 12.0604 13.2224 13.2794
k = 0.5000-0.1196 0.1196 ( 4102 PWs) bands (ev):
-5.1858 -5.1846 -4.7128 -4.7121 2.0162 2.0668 2.5672 2.6299
2.9081 2.9589 3.2327 3.2767 3.3402 3.3964 3.4587 3.5162
3.7490 3.7760 3.9089 3.9571 4.0524 4.1610 4.2945 4.3796
4.4533 4.4945 4.5677 4.6175 4.6616 4.7268 4.7895 4.8285
4.8943 4.9288 5.2474 5.2919 5.4531 5.5106 5.9976 6.1303
6.2865 6.3898 6.9390 7.0005 7.2139 7.3722 10.6808 10.7189
11.1730 11.1946 11.2929 11.3261 12.0068 12.0724 13.1968 13.2587
k = 0.5000-0.1304 0.1304 ( 4106 PWs) bands (ev):
-5.1776 -5.1764 -4.7095 -4.7088 1.9986 2.0521 2.5412 2.6057
2.9110 2.9631 3.2383 3.2918 3.3370 3.3998 3.4517 3.5141
3.7518 3.7789 3.9006 3.9549 4.0409 4.1527 4.2966 4.3754
4.4505 4.4984 4.5653 4.6180 4.6610 4.7263 4.7872 4.8263
4.8903 4.9277 5.2347 5.2922 5.4247 5.4814 5.9870 6.1160
6.2738 6.3744 6.9586 7.0422 7.2529 7.4304 10.6566 10.6959
11.2093 11.2286 11.2818 11.3150 12.0138 12.0845 13.1762 13.2427
k = 0.5000-0.1413 0.1413 ( 4098 PWs) bands (ev):
-5.1688 -5.1675 -4.7061 -4.7053 1.9809 2.0369 2.5149 2.5807
2.9142 2.9674 3.2416 3.3047 3.3340 3.4017 3.4466 3.5133
3.7557 3.7819 3.8912 3.9513 4.0327 4.1455 4.2986 4.3709
4.4488 4.5019 4.5629 4.6179 4.6609 4.7243 4.7838 4.8256
4.8864 4.9270 5.2194 5.2928 5.3962 5.4568 5.9742 6.0994
6.2605 6.3581 6.9773 7.0819 7.2908 7.4857 10.6319 10.6725
11.2299 11.2443 11.2951 11.3225 12.0215 12.0968 13.1609 13.2316
k = 0.5000-0.1522 0.1522 ( 4112 PWs) bands (ev):
-5.1596 -5.1582 -4.7025 -4.7017 1.9632 2.0213 2.4884 2.5550
2.9175 2.9712 3.2431 3.3131 3.3332 3.4020 3.4435 3.5138
3.7606 3.7850 3.8812 3.9462 4.0278 4.1393 4.3005 4.3662
4.4479 4.5047 4.5606 4.6170 4.6612 4.7206 4.7794 4.8260
4.8826 4.9267 5.2022 5.2934 5.3674 5.4367 5.9590 6.0801
6.2469 6.3415 6.9948 7.1188 7.3264 7.5366 10.6084 10.6504
11.2234 11.2446 11.3309 11.3579 12.0302 12.1096 13.1506 13.2253
k = 0.5000-0.1630 0.1630 ( 4108 PWs) bands (ev):
-5.1498 -5.1484 -4.6988 -4.6979 1.9456 2.0055 2.4618 2.5289
2.9207 2.9741 3.2433 3.3138 3.3373 3.4013 3.4422 3.5159
3.7664 3.7885 3.8715 3.9404 4.0260 4.1343 4.3021 4.3616
4.4477 4.5064 4.5591 4.6158 4.6617 4.7156 4.7745 4.8273
4.8791 4.9267 5.1839 5.2932 5.3393 5.4204 5.9411 6.0579
6.2337 6.3250 7.0108 7.1521 7.3585 7.5818 10.5874 10.6310
11.2134 11.2368 11.3759 11.4036 12.0404 12.1231 13.1452 13.2239
k = 0.5000-0.1739 0.1739 ( 4108 PWs) bands (ev):
-5.1396 -5.1381 -4.6949 -4.6940 1.9283 1.9898 2.4353 2.5025
2.9232 2.9754 3.2428 3.3094 3.3433 3.4002 3.4430 3.5193
3.7728 3.7923 3.8627 3.9346 4.0266 4.1303 4.3036 4.3573
4.4479 4.5068 4.5584 4.6144 4.6623 4.7094 4.7693 4.8287
4.8760 4.9270 5.1651 5.2896 5.3151 5.4067 5.9205 6.0328
6.2210 6.3088 7.0245 7.1810 7.3858 7.6199 10.5702 10.6158
11.2064 11.2298 11.4230 11.4511 12.0526 12.1377 13.1445 13.2275
k = 0.5000-0.1848 0.1848 ( 4116 PWs) bands (ev):
-5.1290 -5.1275 -4.6910 -4.6901 1.9116 1.9744 2.4087 2.4758
2.9245 2.9746 3.2421 3.3031 3.3483 3.3989 3.4460 3.5239
3.7790 3.7972 3.8553 3.9292 4.0290 4.1273 4.3047 4.3534
4.4482 4.5060 4.5582 4.6134 4.6621 4.7028 4.7641 4.8296
4.8735 4.9274 5.1465 5.2738 5.3038 5.3948 5.8972 6.0048
6.2093 6.2932 7.0355 7.2048 7.4073 7.6500 10.5579 10.6058
11.2045 11.2274 11.4695 11.4977 12.0674 12.1540 13.1483 13.2358
k = 0.5000-0.1957 0.1957 ( 4108 PWs) bands (ev):
-5.1181 -5.1165 -4.6871 -4.6861 1.8956 1.9594 2.3825 2.4491
2.9241 2.9709 3.2419 3.2957 3.3519 3.3978 3.4516 3.5296
3.7842 3.8037 3.8499 3.9249 4.0330 4.1252 4.3056 4.3500
4.4486 4.5042 4.5583 4.6131 4.6607 4.6966 4.7590 4.8298
4.8719 4.9278 5.1284 5.2504 5.3011 5.3841 5.8713 5.9740
6.1986 6.2785 7.0430 7.2229 7.4223 7.6711 10.5516 10.6020
11.2088 11.2316 11.5138 11.5417 12.0852 12.1723 13.1564 13.2490
k = 0.5000-0.2065 0.2065 ( 4110 PWs) bands (ev):
-5.1069 -5.1052 -4.6831 -4.6821 1.8804 1.9451 2.3564 2.4225
2.9212 2.9637 3.2426 3.2882 3.3550 3.3970 3.4597 3.5361
3.7879 3.8117 3.8466 3.9219 4.0380 4.1238 4.3064 4.3471
4.4487 4.5019 4.5581 4.6139 4.6570 4.6919 4.7539 4.8289
4.8712 4.9282 5.1110 5.2268 5.2994 5.3740 5.8429 5.9407
6.1889 6.2646 7.0464 7.2345 7.4301 7.6828 10.5519 10.6050
11.2202 11.2439 11.5546 11.5822 12.1065 12.1931 13.1687 13.2667
k = 0.5000-0.2174 0.2174 ( 4126 PWs) bands (ev):
-5.0954 -5.0937 -4.6791 -4.6781 1.8661 1.9314 2.3308 2.3960
2.9147 2.9528 3.2444 3.2815 3.3585 3.3971 3.4698 3.5433
3.7907 3.8200 3.8457 3.9204 4.0440 4.1232 4.3068 4.3446
4.4485 4.4992 4.5573 4.6158 4.6507 4.6892 4.7489 4.8271
4.8714 4.9282 5.0946 5.2047 5.2973 5.3644 5.8123 5.9051
6.1800 6.2518 7.0454 7.2392 7.4305 7.6846 10.5597 10.6155
11.2395 11.2652 11.5912 11.6183 12.1316 12.2168 13.1851 13.2890
k = 0.5000-0.2283 0.2283 ( 4126 PWs) bands (ev):
-5.0837 -5.0819 -4.6752 -4.6741 1.8529 1.9187 2.3057 2.3699
2.9037 2.9380 3.2472 3.2770 3.3629 3.3985 3.4815 3.5513
3.7930 3.8267 3.8482 3.9206 4.0509 4.1233 4.3072 4.3425
4.4478 4.4967 4.5558 4.6188 4.6423 4.6882 4.7440 4.8245
4.8723 4.9279 5.0793 5.1843 5.2942 5.3551 5.7796 5.8675
6.1721 6.2402 7.0395 7.2368 7.4232 7.6766 10.5755 10.6337
11.2671 11.2958 11.6231 11.6495 12.1605 12.2437 13.2055 13.3154
k = 0.5000-0.2391 0.2391 ( 4134 PWs) bands (ev):
-5.0718 -5.0701 -4.6712 -4.6702 1.8408 1.9070 2.2812 2.3442
2.8874 2.9197 3.2505 3.2761 3.3688 3.4018 3.4943 3.5600
3.7954 3.8302 3.8547 3.9225 4.0585 4.1240 4.3075 4.3409
4.4467 4.4943 4.5536 4.6224 4.6330 4.6879 4.7394 4.8214
4.8736 4.9271 5.0651 5.1660 5.2895 5.3461 5.7450 5.8284
6.1648 6.2297 7.0285 7.2269 7.4085 7.6592 10.5996 10.6598
11.3031 11.3358 11.6503 11.6757 12.1928 12.2738 13.2299 13.3459
k = 0.5000-0.2500 0.2500 ( 4130 PWs) bands (ev):
-5.0599 -5.0581 -4.6674 -4.6663 1.8301 1.8964 2.2574 2.3191
2.8655 2.8981 3.2541 3.2796 3.3765 3.4072 3.5080 3.5694
3.7979 3.8317 3.8636 3.9259 4.0668 4.1253 4.3076 4.3399
4.4450 4.4923 4.5507 4.6217 4.6283 4.6880 4.7353 4.8181
4.8752 4.9256 5.0520 5.1497 5.2831 5.3372 5.7089 5.7879
6.1582 6.2203 7.0124 7.2098 7.3867 7.6329 10.6322 10.6938
11.3472 11.3844 11.6731 11.6971 12.2284 12.3069 13.2582 13.3801
k = 0.5000-0.2609 0.2609 ( 4124 PWs) bands (ev):
-5.0480 -5.0462 -4.6636 -4.6625 1.8206 1.8870 2.2345 2.2947
2.8385 2.8734 3.2590 3.2868 3.3859 3.4148 3.5225 3.5794
3.8007 3.8324 3.8731 3.9305 4.0755 4.1273 4.3075 4.3393
4.4428 4.4906 4.5473 4.6123 4.6325 4.6879 4.7322 4.8146
4.8768 4.9234 5.0400 5.1355 5.2746 5.3284 5.6715 5.7463
6.1521 6.2123 6.9914 7.1857 7.3584 7.5986 10.6734 10.7355
11.3985 11.4409 11.6921 11.7141 12.2667 12.3431 13.2901 13.4175
k = 0.5000-0.2717 0.2717 ( 4120 PWs) bands (ev):
-5.0360 -5.0342 -4.6599 -4.6588 1.8126 1.8788 2.2124 2.2711
2.8071 2.8456 3.2659 3.2967 3.3971 3.4246 3.5376 3.5901
3.8039 3.8331 3.8825 3.9362 4.0845 4.1301 4.3071 4.3394
4.4404 4.4891 4.5433 4.6026 4.6373 4.6875 4.7301 4.8110
4.8784 4.9206 5.0290 5.1232 5.2639 5.3195 5.6330 5.7039
6.1465 6.2054 6.9658 7.1551 7.3241 7.5570 10.7228 10.7848
11.4553 11.5037 11.7085 11.7277 12.3073 12.3822 13.3256 13.4578
k = 0.5000-0.2826 0.2826 ( 4116 PWs) bands (ev):
-5.0241 -5.0224 -4.6563 -4.6553 1.8060 1.8720 2.1914 2.2483
2.7723 2.8150 3.2752 3.3086 3.4101 3.4364 3.5532 3.6012
3.8074 3.8340 3.8916 3.9426 4.0932 4.1337 4.3063 4.3402
4.4377 4.4877 4.5389 4.5935 4.6418 4.6869 4.7292 4.8074
4.8797 4.9172 5.0190 5.1126 5.2510 5.3101 5.5938 5.6609
6.1414 6.1998 6.9359 7.1186 7.2847 7.5094 10.7803 10.8413
11.5149 11.5707 11.7237 11.7398 12.3501 12.4244 13.3644 13.5003
k = 0.5000-0.2935 0.2935 ( 4112 PWs) bands (ev):
-5.0124 -5.0107 -4.6528 -4.6518 1.8009 1.8666 2.1715 2.2264
2.7350 2.7817 3.2870 3.3221 3.4246 3.4501 3.5692 3.6128
3.8111 3.8357 3.9001 3.9495 4.1014 4.1386 4.3051 4.3417
4.4351 4.4862 4.5341 4.5852 4.6457 4.6861 4.7295 4.8037
4.8806 4.9135 5.0100 5.1036 5.2359 5.2998 5.5540 5.6175
6.1369 6.1955 6.9023 7.0770 7.2410 7.4567 10.8451 10.9045
11.5729 11.6375 11.7395 11.7554 12.3953 12.4701 13.4060 13.5442
k = 0.5000-0.3043 0.3043 ( 4112 PWs) bands (ev):
-5.0009 -4.9992 -4.6495 -4.6485 1.7973 1.8626 2.1526 2.2056
2.6957 2.7464 3.3010 3.3370 3.4404 3.4654 3.5855 3.6247
3.8151 3.8382 3.9082 3.9567 4.1086 4.1448 4.3036 4.3438
4.4325 4.4846 4.5289 4.5777 4.6487 4.6855 4.7305 4.8002
4.8808 4.9099 5.0019 5.0958 5.2189 5.2881 5.5139 5.5740
6.1330 6.1924 6.8656 7.0312 7.1936 7.4000 10.9166 10.9739
11.6217 11.6920 11.7628 11.7845 12.4433 12.5199 13.4500 13.5888
k = 0.5000-0.3152 0.3152 ( 4114 PWs) bands (ev):
-4.9896 -4.9879 -4.6464 -4.6454 1.7953 1.8600 2.1350 2.1858
2.6551 2.7094 3.3169 3.3532 3.4573 3.4822 3.6019 3.6368
3.8192 3.8418 3.9159 3.9641 4.1146 4.1525 4.3018 4.3465
4.4303 4.4827 4.5234 4.5712 4.6506 4.6852 4.7321 4.7970
4.8801 4.9069 4.9945 5.0889 5.1999 5.2748 5.4738 5.5304
6.1298 6.1905 6.8266 6.9822 7.1434 7.3403 10.9940 11.0489
11.6543 11.7160 11.8090 11.8336 12.4951 12.5750 13.4958 13.6334
k = 0.5000-0.3261 0.3261 ( 4118 PWs) bands (ev):
-4.9786 -4.9770 -4.6434 -4.6424 1.7948 1.8589 2.1186 2.1671
2.6137 2.6712 3.3344 3.3706 3.4751 3.5000 3.6182 3.6490
3.8234 3.8468 3.9235 3.9719 4.1196 4.1613 4.2997 4.3495
4.4284 4.4805 4.5177 4.5659 4.6512 4.6851 4.7338 4.7942
4.8783 4.9047 4.9880 5.0823 5.1793 5.2594 5.4340 5.4871
6.1275 6.1899 6.7859 6.9310 7.0911 7.2785 11.0763 11.1288
11.6721 11.7224 11.8675 11.8961 12.5518 12.6362 13.5430 13.6774
k = 0.5000-0.3370 0.3370 ( 4110 PWs) bands (ev):
-4.9680 -4.9664 -4.6405 -4.6396 1.7960 1.8592 2.1034 2.1495
2.5717 2.6323 3.3532 3.3891 3.4936 3.5186 3.6343 3.6612
3.8278 3.8533 3.9310 3.9801 4.1240 4.1711 4.2977 4.3526
4.4271 4.4780 4.5117 4.5619 4.6506 4.6847 4.7354 4.7922
4.8754 4.9036 4.9821 5.0755 5.1576 5.2419 5.3947 5.4444
6.1263 6.1906 6.7443 6.8785 7.0373 7.2155 11.1622 11.2128
11.6811 11.7237 11.9283 11.9601 12.6144 12.7049 13.5909 13.7203
k = 0.5000-0.3478 0.3478 ( 4106 PWs) bands (ev):
-4.9577 -4.9562 -4.6378 -4.6370 1.7988 1.8610 2.0895 2.1332
2.5296 2.5928 3.3731 3.4086 3.5123 3.5377 3.6499 3.6732
3.8328 3.8609 3.9386 3.9890 4.1282 4.1813 4.2956 4.3556
4.4264 4.4751 4.5057 4.5590 4.6491 4.6836 4.7367 4.7911
4.8718 4.9032 4.9770 5.0671 5.1357 5.2219 5.3562 5.4023
6.1262 6.1926 6.7025 6.8259 6.9827 7.1521 11.2501 11.3001
11.6856 11.7241 11.9869 12.0201 12.6839 12.7814 13.6389 13.7618
k = 0.5000-0.3587 0.3587 ( 4106 PWs) bands (ev):
-4.9480 -4.9465 -4.6354 -4.6345 1.8032 1.8643 2.0768 2.1181
2.4876 2.5532 3.3937 3.4289 3.5312 3.5570 3.6648 3.6847
3.8386 3.8695 3.9465 3.9988 4.1324 4.1920 4.2936 4.3583
4.4263 4.4717 4.4999 4.5571 4.6466 4.6811 4.7377 4.7906
4.8678 4.9032 4.9727 5.0552 5.1154 5.1997 5.3188 5.3615
6.1276 6.1960 6.6611 6.7739 6.9277 7.0888 11.3377 11.3896
11.6875 11.7260 12.0407 12.0737 12.7607 12.8661 13.6864 13.8020
k = 0.5000-0.3696 0.3696 ( 4108 PWs) bands (ev):
-4.9387 -4.9373 -4.6330 -4.6322 1.8092 1.8691 2.0653 2.1042
2.4459 2.5136 3.4148 3.4496 3.5500 3.5763 3.6787 3.6955
3.8454 3.8788 3.9549 4.0097 4.1370 4.2029 4.2917 4.3607
4.4269 4.4674 4.4949 4.5559 4.6434 4.6771 4.7384 4.7905
4.8636 4.9034 4.9692 5.0375 5.0987 5.1756 5.2825 5.3224
6.1306 6.2006 6.6209 6.7235 6.8728 7.0264 11.4212 11.4799
11.6884 11.7331 12.0888 12.1202 12.8446 12.9583 13.7329 13.8407
k = 0.5000-0.3804 0.3804 ( 4108 PWs) bands (ev):
-4.9300 -4.9287 -4.6309 -4.6302 1.8168 1.8752 2.0550 2.0917
2.4048 2.4744 3.4359 3.4703 3.5685 3.5952 3.6914 3.7055
3.8535 3.8884 3.9642 4.0221 4.1421 4.2142 4.2901 4.3625
4.4280 4.4620 4.4912 4.5550 4.6397 4.6716 4.7387 4.7901
4.8592 4.9035 4.9663 5.0137 5.0859 5.1502 5.2475 5.2857
6.1353 6.2067 6.5822 6.6754 6.8185 6.9652 11.4945 11.5674
11.6910 11.7507 12.1307 12.1600 12.9347 13.0568 13.7779 13.8781
k = 0.5000-0.3913 0.3913 ( 4104 PWs) bands (ev):
-4.9219 -4.9207 -4.6290 -4.6283 1.8261 1.8827 2.0458 2.0805
2.3645 2.4358 3.4568 3.4906 3.5867 3.6134 3.7028 3.7144
3.8630 3.8979 3.9746 4.0362 4.1481 4.2257 4.2887 4.3638
4.4296 4.4556 4.4891 4.5540 4.6354 4.6648 4.7384 4.7886
4.8544 4.9034 4.9639 4.9861 5.0750 5.1248 5.2137 5.2521
6.1419 6.2142 6.5458 6.6303 6.7652 6.9059 11.5497 11.6352
11.7119 11.7857 12.1671 12.1936 13.0298 13.1604 13.8207 13.9143
k = 0.5000-0.4022 0.4022 ( 4110 PWs) bands (ev):
-4.9144 -4.9133 -4.6272 -4.6266 1.8370 1.8914 2.0376 2.0709
2.3250 2.3979 3.4770 3.5099 3.6046 3.6306 3.7128 3.7220
3.8736 3.9070 3.9866 4.0522 4.1551 4.2370 4.2877 4.3644
4.4313 4.4490 4.4885 4.5525 4.6306 4.6573 4.7371 4.7856
4.8486 4.9020 4.9559 4.9636 5.0637 5.1008 5.1817 5.2223
6.1505 6.2231 6.5118 6.5887 6.7131 6.8486 11.5832 11.6539
11.7793 11.8401 12.1986 12.2221 13.1282 13.2673 13.8610 13.9494
k = 0.5000-0.4130 0.4130 ( 4118 PWs) bands (ev):
-4.9076 -4.9066 -4.6256 -4.6250 1.8495 1.9012 2.0303 2.0630
2.2867 2.3609 3.4964 3.5277 3.6221 3.6466 3.7212 3.7283
3.8850 3.9153 4.0006 4.0700 4.1632 4.2477 4.2870 4.3642
4.4325 4.4438 4.4890 4.5501 4.6253 4.6495 4.7344 4.7805
4.8411 4.8956 4.9332 4.9606 5.0511 5.0792 5.1523 5.1965
6.1612 6.2335 6.4807 6.5512 6.6627 6.7938 11.6005 11.6535
11.8620 11.9068 12.2263 12.2466 13.2288 13.3761 13.8981 13.9833
k = 0.5000-0.4239 0.4239 ( 4130 PWs) bands (ev):
-4.9015 -4.9006 -4.6242 -4.6237 1.8636 1.9119 2.0237 2.0570
2.2495 2.3251 3.5144 3.5435 3.6391 3.6612 3.7278 3.7333
3.8965 3.9227 4.0172 4.0895 4.1725 4.2568 4.2869 4.3629
4.4313 4.4427 4.4905 4.5465 4.6190 4.6420 4.7300 4.7729
4.8308 4.8771 4.9233 4.9580 5.0376 5.0602 5.1269 5.1750
6.1741 6.2451 6.4526 6.5183 6.6141 6.7417 11.6089 11.6495
11.9428 11.9769 12.2512 12.2682 13.3299 13.4855 13.9315 14.0159
k = 0.5000-0.4348 0.4348 ( 4128 PWs) bands (ev):
-4.8962 -4.8954 -4.6230 -4.6226 1.8793 1.9232 2.0177 2.0533
2.2140 2.2905 3.5308 3.5571 3.6556 3.6744 3.7327 3.7372
3.9073 3.9291 4.0367 4.1105 4.1827 4.2629 4.2879 4.3600
4.4299 4.4450 4.4931 4.5415 4.6111 4.6354 4.7241 4.7626
4.8173 4.8528 4.9228 4.9553 5.0246 5.0428 5.1067 5.1573
6.1893 6.2580 6.4276 6.4903 6.5677 6.6926 11.6130 11.6445
12.0170 12.0435 12.2744 12.2880 13.4305 13.5941 13.9606 14.0470
k = 0.5000-0.4457 0.4457 ( 4120 PWs) bands (ev):
-4.8916 -4.8909 -4.6220 -4.6216 1.8964 1.9345 2.0124 2.0521
2.1803 2.2575 3.5454 3.5681 3.6713 3.6862 3.7356 3.7401
3.9169 3.9344 4.0591 4.1323 4.1935 4.2645 4.2900 4.3554
4.4311 4.4482 4.4972 4.5355 4.6009 4.6299 4.7170 4.7491
4.8013 4.8302 4.9258 4.9529 5.0122 5.0267 5.0929 5.1429
6.2069 6.2717 6.4058 6.4676 6.5240 6.6466 11.6149 11.6395
12.0813 12.1020 12.2973 12.3072 13.5292 13.7008 13.9846 14.0764
k = 0.5000-0.4565 0.4565 ( 4120 PWs) bands (ev):
-4.8878 -4.8873 -4.6211 -4.6208 1.9148 1.9453 2.0075 2.0533
2.1492 2.2261 3.5580 3.5766 3.6857 3.6965 3.7368 3.7417
3.9248 3.9386 4.0839 4.1539 4.2042 4.2612 4.2928 4.3495
4.4356 4.4511 4.5026 4.5293 4.5886 4.6250 4.7096 4.7327
4.7859 4.8106 4.9305 4.9517 5.0000 5.0117 5.0854 5.1310
6.2269 6.2859 6.3869 6.4496 6.4844 6.6041 11.6160 11.6347
12.1332 12.1489 12.3206 12.3268 13.6248 13.8041 14.0026 14.1039
k = 0.5000-0.4674 0.4674 ( 4120 PWs) bands (ev):
-4.8848 -4.8844 -4.6205 -4.6202 1.9340 1.9550 2.0036 2.0552
2.1229 2.1966 3.5684 3.5825 3.6986 3.7053 3.7368 3.7419
3.9311 3.9414 4.1104 4.1737 4.2140 4.2530 4.2960 4.3430
4.4424 4.4532 4.5067 4.5257 4.5760 4.6197 4.7023 4.7154
4.7737 4.7941 4.9366 4.9520 4.9885 4.9978 5.0833 5.1207
6.2493 6.2997 6.3707 6.4289 6.4574 6.5653 11.6168 11.6304
12.1715 12.1825 12.3435 12.3465 13.7156 13.9008 14.0148 14.1296
k = 0.5000-0.4783 0.4783 ( 4108 PWs) bands (ev):
-4.8826 -4.8824 -4.6200 -4.6198 1.9528 1.9630 2.0017 2.0522
2.1077 2.1695 3.5765 3.5861 3.7095 3.7127 3.7358 3.7405
3.9360 3.9430 4.1374 4.1895 4.2213 4.2408 4.3007 4.3357
4.4500 4.4549 4.5060 4.5253 4.5690 4.6124 4.6957 4.7005
4.7660 4.7809 4.9439 4.9539 4.9784 4.9848 5.0853 5.1116
6.2742 6.3124 6.3570 6.3971 6.4523 6.5307 11.6178 11.6267
12.1969 12.2038 12.3634 12.3644 13.7993 13.9694 14.0383 14.1541
k = 0.5000-0.4891 0.4891 ( 4096 PWs) bands (ev):
-4.8813 -4.8812 -4.6196 -4.6196 1.9670 1.9689 2.0053 2.0378
2.1103 2.1452 3.5824 3.5872 3.7175 3.7182 3.7345 3.7378
3.9396 3.9431 4.1634 4.1964 4.2249 4.2287 4.3081 4.3271
4.4557 4.4566 4.5056 4.5195 4.5744 4.6016 4.6904 4.6911
4.7632 4.7712 4.9522 4.9575 4.9700 4.9730 5.0898 5.1034
6.3015 6.3237 6.3452 6.3636 6.4602 6.5010 11.6191 11.6235
12.2115 12.2148 12.3769 12.3771 13.8725 13.9675 14.1098 14.1780
k = 0.5000-0.5000 0.5000 ( 4032 PWs) bands (ev):
-4.8808 -4.8808 -4.6195 -4.6195 1.9716 1.9716 2.0191 2.0191
2.1248 2.1248 3.5860 3.5860 3.7208 3.7208 3.7351 3.7351
3.9422 3.9422 4.1858 4.1858 4.2253 4.2253 4.3176 4.3176
4.4576 4.4576 4.5108 4.5108 4.5879 4.5879 4.6883 4.6883
4.7653 4.7653 4.9608 4.9608 4.9645 4.9645 5.0962 5.0962
6.3300 6.3300 6.3360 6.3360 6.4771 6.4771 11.6210 11.6210
12.2172 12.2172 12.3817 12.3817 13.9305 13.9305 14.1833 14.1833
Writing output data file Ag3SI.save
init_run : 0.24s CPU 1.64s WALL ( 1 calls)
electrons : 415.40s CPU 425.84s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.67s WALL ( 1 calls)
potinit : 0.02s CPU 0.02s WALL ( 1 calls)
Called by electrons:
c_bands : 415.40s CPU 425.83s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.08s CPU 0.09s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.00s CPU 0.04s WALL ( 359 calls)
cegterg : 319.14s CPU 323.19s WALL ( 785 calls)
Called by sum_band:
Called by *egterg:
h_psi : 174.65s CPU 181.41s WALL ( 12989 calls)
s_psi : 14.46s CPU 15.22s WALL ( 12989 calls)
g_psi : 0.25s CPU 0.32s WALL ( 11845 calls)
cdiaghg : 119.71s CPU 114.94s WALL ( 12204 calls)
cegterg:over : 8.07s CPU 8.61s WALL ( 11845 calls)
cegterg:upda : 1.35s CPU 3.57s WALL ( 11845 calls)
cegterg:last : 1.40s CPU 2.12s WALL ( 1862 calls)
Called by h_psi:
h_psi:vloc : 155.86s CPU 160.31s WALL ( 12989 calls)
h_psi:vnl : 18.73s CPU 20.94s WALL ( 12989 calls)
add_vuspsi : 11.69s CPU 13.41s WALL ( 12989 calls)
General routines
calbec : 7.03s CPU 7.50s WALL ( 12989 calls)
fft : 0.01s CPU 0.01s WALL ( 15 calls)
fftw : 153.96s CPU 156.78s WALL ( 1330468 calls)
davcio : 0.01s CPU 5.73s WALL ( 718 calls)
Parallel routines
fft_scatter : 126.13s CPU 109.32s WALL ( 1330483 calls)
PWSCF : 7m36.84s CPU 9m 7.08s WALL
This run was terminated on: 10:52: 3 25Nov2016
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=