Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:35:40
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./InN.save/
file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 22 12 3 425 167 27
Max 23 13 4 428 177 32
Sum 817 439 139 15353 6183 1067
bravais-lattice index = 14
lattice parameter (alat) = 6.0558 a.u.
unit-cell volume = 157.0385 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 2
number of electrons = 18.00
number of Kohn-Sham states= 26
kinetic-energy cutoff = 44.0000 Ry
charge density cutoff = 321.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 6.055831 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.500000 0.866025 0.000000 )
a(3) = ( 0.500000 0.288675 0.816497 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.577350 -0.408248 )
b(2) = ( 0.000000 1.154701 -0.408248 )
b(3) = ( 0.000000 0.000000 1.224745 )
PseudoPot. # 1 for In read from file:
/users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf
Pseudo is Ultrasoft + core correction, Zval = 13.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1241 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 N read from file:
/users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
In 13.00 114.81800 In( 1.00)
N 5.00 14.00670 N( 1.00)
12 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [1,0,0]
cryst. s( 2) = ( 1 0 0 )
( 1 -1 0 )
( 1 0 -1 )
cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 3 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 4 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 4) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 180 deg rotation - cryst. axis [0,1,0]
cryst. s( 5) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 )
( -0.8660254 0.5000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cryst. axis [1,1,0]
cryst. s( 6) = ( -1 1 0 )
( 0 1 0 )
( 0 1 -1 )
cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inversion
cryst. s( 7) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 8) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 9) = ( 1 -1 0 )
( 1 0 0 )
( 1 0 -1 )
cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 )
( -0.8660254 0.5000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1]
cryst. s(10) = ( 0 1 0 )
( -1 1 0 )
( 0 1 -1 )
cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s(11) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(11) = ( 0.5000000 0.8660254 0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s(12) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group D_3d (-3m)
there are 12 classes and 6 irreducible representations
the character table:
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00
G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00
G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00
G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00
G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00
G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00
imaginary part
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00
G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00
G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C3 3 4
120 deg rotation - cryst. axis [0,0,1]
-2C3 -3 -4
120 deg rotation - cryst. axis [0,0,1] E
3C2' 2 5 -6
180 deg rotation - cart. axis [1,0,0]
3C2' 6 -5 -2
180 deg rotation - cryst. axis [1,1,0]
i 7
inversion
-i -7
inversion E
2S6 9 10
inv. 120 deg rotation - cryst. axis [0,0,1]
-2S6 -9 -10
inv. 120 deg rotation - cryst. axis [0,0,1] E
3s_v 8 11 -12
inv. 180 deg rotation - cart. axis [1,0,0]
3s_v 12 -11 -8
inv. 180 deg rotation - cryst. axis [1,1,0]
Cartesian axes
number of k points= 461 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 2) = ( 0.0071429 -0.0041239 0.0058321), wk = 0.0021692
k( 3) = ( 0.0142857 -0.0082479 0.0116642), wk = 0.0021692
k( 4) = ( 0.0214286 -0.0123718 0.0174964), wk = 0.0021692
k( 5) = ( 0.0285714 -0.0164957 0.0233285), wk = 0.0021692
k( 6) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0021692
k( 7) = ( 0.0428571 -0.0247436 0.0349927), wk = 0.0021692
k( 8) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0021692
k( 9) = ( 0.0571429 -0.0329914 0.0466569), wk = 0.0021692
k( 10) = ( 0.0642857 -0.0371154 0.0524891), wk = 0.0021692
k( 11) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0021692
k( 12) = ( 0.0785714 -0.0453632 0.0641533), wk = 0.0021692
k( 13) = ( 0.0857143 -0.0494872 0.0699854), wk = 0.0021692
k( 14) = ( 0.0928571 -0.0536111 0.0758175), wk = 0.0021692
k( 15) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0021692
k( 16) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0021692
k( 17) = ( 0.1142857 -0.0659829 0.0933139), wk = 0.0021692
k( 18) = ( 0.1214286 -0.0701068 0.0991460), wk = 0.0021692
k( 19) = ( 0.1285714 -0.0742307 0.1049781), wk = 0.0021692
k( 20) = ( 0.1357143 -0.0783547 0.1108103), wk = 0.0021692
k( 21) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0021692
k( 22) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0021692
k( 23) = ( 0.1571429 -0.0907265 0.1283066), wk = 0.0021692
k( 24) = ( 0.1642857 -0.0948504 0.1341387), wk = 0.0021692
k( 25) = ( 0.1714286 -0.0989743 0.1399708), wk = 0.0021692
k( 26) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0021692
k( 27) = ( 0.1857143 -0.1072222 0.1516351), wk = 0.0021692
k( 28) = ( 0.1928571 -0.1113461 0.1574672), wk = 0.0021692
k( 29) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0021692
k( 30) = ( 0.2071429 -0.1195940 0.1691314), wk = 0.0021692
k( 31) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0021692
k( 32) = ( 0.2214286 -0.1278418 0.1807957), wk = 0.0021692
k( 33) = ( 0.2285714 -0.1319658 0.1866278), wk = 0.0021692
k( 34) = ( 0.2357143 -0.1360897 0.1924599), wk = 0.0021692
k( 35) = ( 0.2428571 -0.1402136 0.1982920), wk = 0.0021692
k( 36) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0021692
k( 37) = ( 0.2571429 -0.1484615 0.2099563), wk = 0.0021692
k( 38) = ( 0.2642857 -0.1525854 0.2157884), wk = 0.0021692
k( 39) = ( 0.2714286 -0.1567094 0.2216205), wk = 0.0021692
k( 40) = ( 0.2785714 -0.1608333 0.2274526), wk = 0.0021692
k( 41) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0021692
k( 42) = ( 0.2928571 -0.1690811 0.2391169), wk = 0.0021692
k( 43) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0021692
k( 44) = ( 0.3071429 -0.1773290 0.2507811), wk = 0.0021692
k( 45) = ( 0.3142857 -0.1814529 0.2566132), wk = 0.0021692
k( 46) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0021692
k( 47) = ( 0.3285714 -0.1897008 0.2682774), wk = 0.0021692
k( 48) = ( 0.3357143 -0.1938247 0.2741096), wk = 0.0021692
k( 49) = ( 0.3428571 -0.1979487 0.2799417), wk = 0.0021692
k( 50) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0021692
k( 51) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0021692
k( 52) = ( 0.3642857 -0.2103205 0.2974380), wk = 0.0021692
k( 53) = ( 0.3714286 -0.2144444 0.3032702), wk = 0.0021692
k( 54) = ( 0.3785714 -0.2185683 0.3091023), wk = 0.0021692
k( 55) = ( 0.3857143 -0.2226922 0.3149344), wk = 0.0021692
k( 56) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0021692
k( 57) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0021692
k( 58) = ( 0.4071429 -0.2350640 0.3324308), wk = 0.0021692
k( 59) = ( 0.4142857 -0.2391880 0.3382629), wk = 0.0021692
k( 60) = ( 0.4214286 -0.2433119 0.3440950), wk = 0.0021692
k( 61) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0021692
k( 62) = ( 0.4357143 -0.2515598 0.3557592), wk = 0.0021692
k( 63) = ( 0.4428571 -0.2556837 0.3615913), wk = 0.0021692
k( 64) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0021692
k( 65) = ( 0.4571429 -0.2639316 0.3732556), wk = 0.0021692
k( 66) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0021692
k( 67) = ( 0.4714286 -0.2721794 0.3849198), wk = 0.0021692
k( 68) = ( 0.4785714 -0.2763033 0.3907519), wk = 0.0021692
k( 69) = ( 0.4857143 -0.2804273 0.3965841), wk = 0.0021692
k( 70) = ( 0.4928571 -0.2845512 0.4024162), wk = 0.0021692
k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692
k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692
k( 73) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0021692
k( 74) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0021692
k( 75) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0021692
k( 76) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0021692
k( 77) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0021692
k( 78) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0021692
k( 79) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0021692
k( 80) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0021692
k( 81) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0021692
k( 82) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0021692
k( 83) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0021692
k( 84) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0021692
k( 85) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0021692
k( 86) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0021692
k( 87) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0021692
k( 88) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0021692
k( 89) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0021692
k( 90) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0021692
k( 91) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0021692
k( 92) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0021692
k( 93) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0021692
k( 94) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0021692
k( 95) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0021692
k( 96) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0021692
k( 97) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0021692
k( 98) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0021692
k( 99) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0021692
k( 100) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0021692
k( 101) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0021692
k( 102) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0021692
k( 103) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0021692
k( 104) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0021692
k( 105) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0021692
k( 106) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0021692
k( 107) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692
k( 108) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692
k( 109) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021692
k( 110) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021692
k( 111) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021692
k( 112) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021692
k( 113) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021692
k( 114) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021692
k( 115) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021692
k( 116) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021692
k( 117) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021692
k( 118) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021692
k( 119) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021692
k( 120) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021692
k( 121) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021692
k( 122) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021692
k( 123) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021692
k( 124) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021692
k( 125) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021692
k( 126) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021692
k( 127) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021692
k( 128) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021692
k( 129) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021692
k( 130) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021692
k( 131) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021692
k( 132) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021692
k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692
k( 134) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692
k( 135) = ( 0.3699324 0.2135806 0.6040971), wk = 0.0021692
k( 136) = ( 0.3648649 0.2106548 0.5958218), wk = 0.0021692
k( 137) = ( 0.3597973 0.2077291 0.5875465), wk = 0.0021692
k( 138) = ( 0.3547297 0.2048033 0.5792712), wk = 0.0021692
k( 139) = ( 0.3496622 0.2018775 0.5709959), wk = 0.0021692
k( 140) = ( 0.3445946 0.1989518 0.5627206), wk = 0.0021692
k( 141) = ( 0.3395270 0.1960260 0.5544453), wk = 0.0021692
k( 142) = ( 0.3344595 0.1931003 0.5461700), wk = 0.0021692
k( 143) = ( 0.3293919 0.1901745 0.5378947), wk = 0.0021692
k( 144) = ( 0.3243243 0.1872487 0.5296194), wk = 0.0021692
k( 145) = ( 0.3192568 0.1843230 0.5213441), wk = 0.0021692
k( 146) = ( 0.3141892 0.1813972 0.5130688), wk = 0.0021692
k( 147) = ( 0.3091216 0.1784715 0.5047935), wk = 0.0021692
k( 148) = ( 0.3040541 0.1755457 0.4965182), wk = 0.0021692
k( 149) = ( 0.2989865 0.1726199 0.4882429), wk = 0.0021692
k( 150) = ( 0.2939189 0.1696942 0.4799676), wk = 0.0021692
k( 151) = ( 0.2888514 0.1667684 0.4716923), wk = 0.0021692
k( 152) = ( 0.2837838 0.1638426 0.4634170), wk = 0.0021692
k( 153) = ( 0.2787162 0.1609169 0.4551417), wk = 0.0021692
k( 154) = ( 0.2736486 0.1579911 0.4468664), wk = 0.0021692
k( 155) = ( 0.2685811 0.1550654 0.4385911), wk = 0.0021692
k( 156) = ( 0.2635135 0.1521396 0.4303158), wk = 0.0021692
k( 157) = ( 0.2584459 0.1492138 0.4220405), wk = 0.0021692
k( 158) = ( 0.2533784 0.1462881 0.4137652), wk = 0.0021692
k( 159) = ( 0.2483108 0.1433623 0.4054899), wk = 0.0021692
k( 160) = ( 0.2432432 0.1404366 0.3972146), wk = 0.0021692
k( 161) = ( 0.2381757 0.1375108 0.3889392), wk = 0.0021692
k( 162) = ( 0.2331081 0.1345850 0.3806639), wk = 0.0021692
k( 163) = ( 0.2280405 0.1316593 0.3723886), wk = 0.0021692
k( 164) = ( 0.2229730 0.1287335 0.3641133), wk = 0.0021692
k( 165) = ( 0.2179054 0.1258077 0.3558380), wk = 0.0021692
k( 166) = ( 0.2128378 0.1228820 0.3475627), wk = 0.0021692
k( 167) = ( 0.2077703 0.1199562 0.3392874), wk = 0.0021692
k( 168) = ( 0.2027027 0.1170305 0.3310121), wk = 0.0021692
k( 169) = ( 0.1976351 0.1141047 0.3227368), wk = 0.0021692
k( 170) = ( 0.1925676 0.1111789 0.3144615), wk = 0.0021692
k( 171) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0021692
k( 172) = ( 0.1824324 0.1053274 0.2979109), wk = 0.0021692
k( 173) = ( 0.1773649 0.1024016 0.2896356), wk = 0.0021692
k( 174) = ( 0.1722973 0.0994759 0.2813603), wk = 0.0021692
k( 175) = ( 0.1672297 0.0965501 0.2730850), wk = 0.0021692
k( 176) = ( 0.1621622 0.0936244 0.2648097), wk = 0.0021692
k( 177) = ( 0.1570946 0.0906986 0.2565344), wk = 0.0021692
k( 178) = ( 0.1520270 0.0877728 0.2482591), wk = 0.0021692
k( 179) = ( 0.1469595 0.0848471 0.2399838), wk = 0.0021692
k( 180) = ( 0.1418919 0.0819213 0.2317085), wk = 0.0021692
k( 181) = ( 0.1368243 0.0789956 0.2234332), wk = 0.0021692
k( 182) = ( 0.1317568 0.0760698 0.2151579), wk = 0.0021692
k( 183) = ( 0.1266892 0.0731440 0.2068826), wk = 0.0021692
k( 184) = ( 0.1216216 0.0702183 0.1986073), wk = 0.0021692
k( 185) = ( 0.1165541 0.0672925 0.1903320), wk = 0.0021692
k( 186) = ( 0.1114865 0.0643668 0.1820567), wk = 0.0021692
k( 187) = ( 0.1064189 0.0614410 0.1737814), wk = 0.0021692
k( 188) = ( 0.1013514 0.0585152 0.1655061), wk = 0.0021692
k( 189) = ( 0.0962838 0.0555895 0.1572308), wk = 0.0021692
k( 190) = ( 0.0912162 0.0526637 0.1489555), wk = 0.0021692
k( 191) = ( 0.0861486 0.0497379 0.1406802), wk = 0.0021692
k( 192) = ( 0.0810811 0.0468122 0.1324048), wk = 0.0021692
k( 193) = ( 0.0760135 0.0438864 0.1241296), wk = 0.0021692
k( 194) = ( 0.0709459 0.0409607 0.1158542), wk = 0.0021692
k( 195) = ( 0.0658784 0.0380349 0.1075789), wk = 0.0021692
k( 196) = ( 0.0608108 0.0351091 0.0993036), wk = 0.0021692
k( 197) = ( 0.0557432 0.0321834 0.0910283), wk = 0.0021692
k( 198) = ( 0.0506757 0.0292576 0.0827530), wk = 0.0021692
k( 199) = ( 0.0456081 0.0263319 0.0744777), wk = 0.0021692
k( 200) = ( 0.0405405 0.0234061 0.0662024), wk = 0.0021692
k( 201) = ( 0.0354730 0.0204803 0.0579271), wk = 0.0021692
k( 202) = ( 0.0304054 0.0175546 0.0496518), wk = 0.0021692
k( 203) = ( 0.0253378 0.0146288 0.0413765), wk = 0.0021692
k( 204) = ( 0.0202703 0.0117030 0.0331012), wk = 0.0021692
k( 205) = ( 0.0152027 0.0087773 0.0248259), wk = 0.0021692
k( 206) = ( 0.0101351 0.0058515 0.0165506), wk = 0.0021692
k( 207) = ( 0.0050676 0.0029258 0.0082753), wk = 0.0021692
k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 210) = ( 0.0081967 0.0047324 0.0033463), wk = 0.0021692
k( 211) = ( 0.0163934 0.0094648 0.0066926), wk = 0.0021692
k( 212) = ( 0.0245902 0.0141971 0.0100389), wk = 0.0021692
k( 213) = ( 0.0327869 0.0189295 0.0133852), wk = 0.0021692
k( 214) = ( 0.0409836 0.0236619 0.0167315), wk = 0.0021692
k( 215) = ( 0.0491803 0.0283943 0.0200778), wk = 0.0021692
k( 216) = ( 0.0573770 0.0331267 0.0234241), wk = 0.0021692
k( 217) = ( 0.0655738 0.0378590 0.0267704), wk = 0.0021692
k( 218) = ( 0.0737705 0.0425914 0.0301167), wk = 0.0021692
k( 219) = ( 0.0819672 0.0473238 0.0334630), wk = 0.0021692
k( 220) = ( 0.0901639 0.0520562 0.0368093), wk = 0.0021692
k( 221) = ( 0.0983607 0.0567886 0.0401556), wk = 0.0021692
k( 222) = ( 0.1065574 0.0615209 0.0435019), wk = 0.0021692
k( 223) = ( 0.1147541 0.0662533 0.0468482), wk = 0.0021692
k( 224) = ( 0.1229508 0.0709857 0.0501945), wk = 0.0021692
k( 225) = ( 0.1311475 0.0757181 0.0535408), wk = 0.0021692
k( 226) = ( 0.1393443 0.0804504 0.0568871), wk = 0.0021692
k( 227) = ( 0.1475410 0.0851828 0.0602334), wk = 0.0021692
k( 228) = ( 0.1557377 0.0899152 0.0635796), wk = 0.0021692
k( 229) = ( 0.1639344 0.0946476 0.0669260), wk = 0.0021692
k( 230) = ( 0.1721312 0.0993800 0.0702722), wk = 0.0021692
k( 231) = ( 0.1803279 0.1041123 0.0736185), wk = 0.0021692
k( 232) = ( 0.1885246 0.1088447 0.0769648), wk = 0.0021692
k( 233) = ( 0.1967213 0.1135771 0.0803111), wk = 0.0021692
k( 234) = ( 0.2049180 0.1183095 0.0836574), wk = 0.0021692
k( 235) = ( 0.2131147 0.1230419 0.0870037), wk = 0.0021692
k( 236) = ( 0.2213115 0.1277742 0.0903500), wk = 0.0021692
k( 237) = ( 0.2295082 0.1325066 0.0936963), wk = 0.0021692
k( 238) = ( 0.2377049 0.1372390 0.0970426), wk = 0.0021692
k( 239) = ( 0.2459016 0.1419714 0.1003889), wk = 0.0021692
k( 240) = ( 0.2540984 0.1467038 0.1037352), wk = 0.0021692
k( 241) = ( 0.2622951 0.1514361 0.1070815), wk = 0.0021692
k( 242) = ( 0.2704918 0.1561685 0.1104278), wk = 0.0021692
k( 243) = ( 0.2786885 0.1609009 0.1137741), wk = 0.0021692
k( 244) = ( 0.2868852 0.1656333 0.1171204), wk = 0.0021692
k( 245) = ( 0.2950820 0.1703657 0.1204667), wk = 0.0021692
k( 246) = ( 0.3032787 0.1750980 0.1238130), wk = 0.0021692
k( 247) = ( 0.3114754 0.1798304 0.1271593), wk = 0.0021692
k( 248) = ( 0.3196721 0.1845628 0.1305056), wk = 0.0021692
k( 249) = ( 0.3278688 0.1892952 0.1338519), wk = 0.0021692
k( 250) = ( 0.3360656 0.1940275 0.1371982), wk = 0.0021692
k( 251) = ( 0.3442623 0.1987599 0.1405445), wk = 0.0021692
k( 252) = ( 0.3524590 0.2034923 0.1438908), wk = 0.0021692
k( 253) = ( 0.3606557 0.2082247 0.1472371), wk = 0.0021692
k( 254) = ( 0.3688525 0.2129571 0.1505834), wk = 0.0021692
k( 255) = ( 0.3770492 0.2176894 0.1539297), wk = 0.0021692
k( 256) = ( 0.3852459 0.2224218 0.1572760), wk = 0.0021692
k( 257) = ( 0.3934426 0.2271542 0.1606223), wk = 0.0021692
k( 258) = ( 0.4016393 0.2318866 0.1639686), wk = 0.0021692
k( 259) = ( 0.4098361 0.2366190 0.1673149), wk = 0.0021692
k( 260) = ( 0.4180328 0.2413513 0.1706612), wk = 0.0021692
k( 261) = ( 0.4262295 0.2460837 0.1740075), wk = 0.0021692
k( 262) = ( 0.4344262 0.2508161 0.1773538), wk = 0.0021692
k( 263) = ( 0.4426230 0.2555485 0.1807001), wk = 0.0021692
k( 264) = ( 0.4508197 0.2602809 0.1840464), wk = 0.0021692
k( 265) = ( 0.4590164 0.2650132 0.1873927), wk = 0.0021692
k( 266) = ( 0.4672131 0.2697456 0.1907390), wk = 0.0021692
k( 267) = ( 0.4754098 0.2744780 0.1940853), wk = 0.0021692
k( 268) = ( 0.4836066 0.2792104 0.1974316), wk = 0.0021692
k( 269) = ( 0.4918033 0.2839428 0.2007778), wk = 0.0021692
k( 270) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692
k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692
k( 272) = ( 0.5029070 0.2802834 0.2088712), wk = 0.0021692
k( 273) = ( 0.5058139 0.2718917 0.2136183), wk = 0.0021692
k( 274) = ( 0.5087209 0.2635000 0.2183654), wk = 0.0021692
k( 275) = ( 0.5116279 0.2551083 0.2231124), wk = 0.0021692
k( 276) = ( 0.5145349 0.2467165 0.2278595), wk = 0.0021692
k( 277) = ( 0.5174419 0.2383248 0.2326066), wk = 0.0021692
k( 278) = ( 0.5203488 0.2299331 0.2373537), wk = 0.0021692
k( 279) = ( 0.5232558 0.2215414 0.2421007), wk = 0.0021692
k( 280) = ( 0.5261628 0.2131497 0.2468478), wk = 0.0021692
k( 281) = ( 0.5290698 0.2047579 0.2515949), wk = 0.0021692
k( 282) = ( 0.5319767 0.1963662 0.2563419), wk = 0.0021692
k( 283) = ( 0.5348837 0.1879745 0.2610890), wk = 0.0021692
k( 284) = ( 0.5377907 0.1795828 0.2658361), wk = 0.0021692
k( 285) = ( 0.5406977 0.1711911 0.2705832), wk = 0.0021692
k( 286) = ( 0.5436047 0.1627994 0.2753302), wk = 0.0021692
k( 287) = ( 0.5465116 0.1544076 0.2800773), wk = 0.0021692
k( 288) = ( 0.5494186 0.1460159 0.2848244), wk = 0.0021692
k( 289) = ( 0.5523256 0.1376242 0.2895715), wk = 0.0021692
k( 290) = ( 0.5552326 0.1292325 0.2943185), wk = 0.0021692
k( 291) = ( 0.5581395 0.1208408 0.2990656), wk = 0.0021692
k( 292) = ( 0.5610465 0.1124490 0.3038127), wk = 0.0021692
k( 293) = ( 0.5639535 0.1040573 0.3085598), wk = 0.0021692
k( 294) = ( 0.5668605 0.0956656 0.3133068), wk = 0.0021692
k( 295) = ( 0.5697674 0.0872739 0.3180539), wk = 0.0021692
k( 296) = ( 0.5726744 0.0788822 0.3228010), wk = 0.0021692
k( 297) = ( 0.5755814 0.0704904 0.3275481), wk = 0.0021692
k( 298) = ( 0.5784884 0.0620987 0.3322951), wk = 0.0021692
k( 299) = ( 0.5813953 0.0537070 0.3370422), wk = 0.0021692
k( 300) = ( 0.5843023 0.0453153 0.3417893), wk = 0.0021692
k( 301) = ( 0.5872093 0.0369236 0.3465363), wk = 0.0021692
k( 302) = ( 0.5901163 0.0285318 0.3512834), wk = 0.0021692
k( 303) = ( 0.5930233 0.0201401 0.3560305), wk = 0.0021692
k( 304) = ( 0.5959302 0.0117484 0.3607776), wk = 0.0021692
k( 305) = ( 0.5988372 0.0033567 0.3655246), wk = 0.0021692
k( 306) = ( 0.6017442 -0.0050350 0.3702717), wk = 0.0021692
k( 307) = ( 0.6046512 -0.0134268 0.3750188), wk = 0.0021692
k( 308) = ( 0.6075581 -0.0218185 0.3797659), wk = 0.0021692
k( 309) = ( 0.6104651 -0.0302102 0.3845129), wk = 0.0021692
k( 310) = ( 0.6133721 -0.0386019 0.3892600), wk = 0.0021692
k( 311) = ( 0.6162791 -0.0469936 0.3940071), wk = 0.0021692
k( 312) = ( 0.6191861 -0.0553853 0.3987541), wk = 0.0021692
k( 313) = ( 0.6220930 -0.0637771 0.4035012), wk = 0.0021692
k( 314) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692
k( 315) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692
k( 316) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021692
k( 317) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021692
k( 318) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021692
k( 319) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021692
k( 320) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021692
k( 321) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021692
k( 322) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021692
k( 323) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021692
k( 324) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021692
k( 325) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021692
k( 326) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021692
k( 327) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021692
k( 328) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021692
k( 329) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021692
k( 330) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021692
k( 331) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021692
k( 332) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021692
k( 333) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021692
k( 334) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021692
k( 335) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021692
k( 336) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021692
k( 337) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021692
k( 338) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021692
k( 339) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021692
k( 340) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692
k( 341) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021692
k( 342) = ( 0.5000000 0.0057735 0.6042075), wk = 0.0021692
k( 343) = ( 0.5000000 0.0115470 0.5960425), wk = 0.0021692
k( 344) = ( 0.5000000 0.0173205 0.5878775), wk = 0.0021692
k( 345) = ( 0.5000000 0.0230940 0.5797126), wk = 0.0021692
k( 346) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0021692
k( 347) = ( 0.5000000 0.0346410 0.5633826), wk = 0.0021692
k( 348) = ( 0.5000000 0.0404145 0.5552177), wk = 0.0021692
k( 349) = ( 0.5000000 0.0461880 0.5470527), wk = 0.0021692
k( 350) = ( 0.5000000 0.0519615 0.5388877), wk = 0.0021692
k( 351) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0021692
k( 352) = ( 0.5000000 0.0635085 0.5225578), wk = 0.0021692
k( 353) = ( 0.5000000 0.0692820 0.5143928), wk = 0.0021692
k( 354) = ( 0.5000000 0.0750555 0.5062279), wk = 0.0021692
k( 355) = ( 0.5000000 0.0808290 0.4980629), wk = 0.0021692
k( 356) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0021692
k( 357) = ( 0.5000000 0.0923760 0.4817330), wk = 0.0021692
k( 358) = ( 0.5000000 0.0981495 0.4735680), wk = 0.0021692
k( 359) = ( 0.5000000 0.1039230 0.4654031), wk = 0.0021692
k( 360) = ( 0.5000000 0.1096966 0.4572381), wk = 0.0021692
k( 361) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0021692
k( 362) = ( 0.5000000 0.1212436 0.4409082), wk = 0.0021692
k( 363) = ( 0.5000000 0.1270171 0.4327432), wk = 0.0021692
k( 364) = ( 0.5000000 0.1327906 0.4245782), wk = 0.0021692
k( 365) = ( 0.5000000 0.1385641 0.4164133), wk = 0.0021692
k( 366) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0021692
k( 367) = ( 0.5000000 0.1501111 0.4000833), wk = 0.0021692
k( 368) = ( 0.5000000 0.1558846 0.3919184), wk = 0.0021692
k( 369) = ( 0.5000000 0.1616581 0.3837534), wk = 0.0021692
k( 370) = ( 0.5000000 0.1674316 0.3755884), wk = 0.0021692
k( 371) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0021692
k( 372) = ( 0.5000000 0.1789786 0.3592585), wk = 0.0021692
k( 373) = ( 0.5000000 0.1847521 0.3510935), wk = 0.0021692
k( 374) = ( 0.5000000 0.1905256 0.3429286), wk = 0.0021692
k( 375) = ( 0.5000000 0.1962991 0.3347636), wk = 0.0021692
k( 376) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0021692
k( 377) = ( 0.5000000 0.2078461 0.3184337), wk = 0.0021692
k( 378) = ( 0.5000000 0.2136196 0.3102687), wk = 0.0021692
k( 379) = ( 0.5000000 0.2193931 0.3021037), wk = 0.0021692
k( 380) = ( 0.5000000 0.2251666 0.2939388), wk = 0.0021692
k( 381) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0021692
k( 382) = ( 0.5000000 0.2367136 0.2776088), wk = 0.0021692
k( 383) = ( 0.5000000 0.2424871 0.2694439), wk = 0.0021692
k( 384) = ( 0.5000000 0.2482606 0.2612789), wk = 0.0021692
k( 385) = ( 0.5000000 0.2540341 0.2531139), wk = 0.0021692
k( 386) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0021692
k( 387) = ( 0.5000000 0.2655811 0.2367840), wk = 0.0021692
k( 388) = ( 0.5000000 0.2713546 0.2286190), wk = 0.0021692
k( 389) = ( 0.5000000 0.2771281 0.2204541), wk = 0.0021692
k( 390) = ( 0.5000000 0.2829016 0.2122891), wk = 0.0021692
k( 391) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692
k( 392) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021692
k( 393) = ( 0.4970930 0.2869968 0.2136183), wk = 0.0021692
k( 394) = ( 0.4941860 0.2853184 0.2231124), wk = 0.0021692
k( 395) = ( 0.4912791 0.2836401 0.2326066), wk = 0.0021692
k( 396) = ( 0.4883721 0.2819618 0.2421007), wk = 0.0021692
k( 397) = ( 0.4854651 0.2802834 0.2515949), wk = 0.0021692
k( 398) = ( 0.4825581 0.2786051 0.2610890), wk = 0.0021692
k( 399) = ( 0.4796512 0.2769267 0.2705832), wk = 0.0021692
k( 400) = ( 0.4767442 0.2752484 0.2800773), wk = 0.0021692
k( 401) = ( 0.4738372 0.2735700 0.2895715), wk = 0.0021692
k( 402) = ( 0.4709302 0.2718917 0.2990656), wk = 0.0021692
k( 403) = ( 0.4680233 0.2702134 0.3085598), wk = 0.0021692
k( 404) = ( 0.4651163 0.2685350 0.3180539), wk = 0.0021692
k( 405) = ( 0.4622093 0.2668567 0.3275481), wk = 0.0021692
k( 406) = ( 0.4593023 0.2651783 0.3370422), wk = 0.0021692
k( 407) = ( 0.4563953 0.2635000 0.3465363), wk = 0.0021692
k( 408) = ( 0.4534884 0.2618216 0.3560305), wk = 0.0021692
k( 409) = ( 0.4505814 0.2601433 0.3655246), wk = 0.0021692
k( 410) = ( 0.4476744 0.2584649 0.3750188), wk = 0.0021692
k( 411) = ( 0.4447674 0.2567866 0.3845129), wk = 0.0021692
k( 412) = ( 0.4418605 0.2551083 0.3940071), wk = 0.0021692
k( 413) = ( 0.4389535 0.2534299 0.4035012), wk = 0.0021692
k( 414) = ( 0.4360465 0.2517516 0.4129954), wk = 0.0021692
k( 415) = ( 0.4331395 0.2500732 0.4224895), wk = 0.0021692
k( 416) = ( 0.4302326 0.2483949 0.4319837), wk = 0.0021692
k( 417) = ( 0.4273256 0.2467165 0.4414778), wk = 0.0021692
k( 418) = ( 0.4244186 0.2450382 0.4509720), wk = 0.0021692
k( 419) = ( 0.4215116 0.2433599 0.4604661), wk = 0.0021692
k( 420) = ( 0.4186047 0.2416815 0.4699602), wk = 0.0021692
k( 421) = ( 0.4156977 0.2400032 0.4794544), wk = 0.0021692
k( 422) = ( 0.4127907 0.2383248 0.4889485), wk = 0.0021692
k( 423) = ( 0.4098837 0.2366465 0.4984427), wk = 0.0021692
k( 424) = ( 0.4069767 0.2349681 0.5079368), wk = 0.0021692
k( 425) = ( 0.4040698 0.2332898 0.5174310), wk = 0.0021692
k( 426) = ( 0.4011628 0.2316114 0.5269251), wk = 0.0021692
k( 427) = ( 0.3982558 0.2299331 0.5364193), wk = 0.0021692
k( 428) = ( 0.3953488 0.2282548 0.5459134), wk = 0.0021692
k( 429) = ( 0.3924419 0.2265764 0.5554076), wk = 0.0021692
k( 430) = ( 0.3895349 0.2248981 0.5649017), wk = 0.0021692
k( 431) = ( 0.3866279 0.2232197 0.5743959), wk = 0.0021692
k( 432) = ( 0.3837209 0.2215414 0.5838900), wk = 0.0021692
k( 433) = ( 0.3808140 0.2198630 0.5933841), wk = 0.0021692
k( 434) = ( 0.3779070 0.2181847 0.6028783), wk = 0.0021692
k( 435) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021692
k( 436) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021692
k( 437) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021692
k( 438) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021692
k( 439) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021692
k( 440) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021692
k( 441) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021692
k( 442) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021692
k( 443) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021692
k( 444) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021692
k( 445) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021692
k( 446) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021692
k( 447) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021692
k( 448) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021692
k( 449) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021692
k( 450) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021692
k( 451) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021692
k( 452) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021692
k( 453) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021692
k( 454) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021692
k( 455) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021692
k( 456) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021692
k( 457) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021692
k( 458) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021692
k( 459) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021692
k( 460) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021692
k( 461) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021692
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 2) = ( 0.0071429 -0.0000000 0.0071429), wk = 0.0021692
k( 3) = ( 0.0142857 -0.0000000 0.0142857), wk = 0.0021692
k( 4) = ( 0.0214286 -0.0000000 0.0214286), wk = 0.0021692
k( 5) = ( 0.0285714 -0.0000000 0.0285714), wk = 0.0021692
k( 6) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0021692
k( 7) = ( 0.0428571 -0.0000000 0.0428571), wk = 0.0021692
k( 8) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0021692
k( 9) = ( 0.0571429 -0.0000000 0.0571429), wk = 0.0021692
k( 10) = ( 0.0642857 -0.0000000 0.0642857), wk = 0.0021692
k( 11) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0021692
k( 12) = ( 0.0785714 -0.0000000 0.0785714), wk = 0.0021692
k( 13) = ( 0.0857143 -0.0000000 0.0857143), wk = 0.0021692
k( 14) = ( 0.0928571 -0.0000000 0.0928571), wk = 0.0021692
k( 15) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0021692
k( 16) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0021692
k( 17) = ( 0.1142857 -0.0000000 0.1142857), wk = 0.0021692
k( 18) = ( 0.1214286 -0.0000000 0.1214286), wk = 0.0021692
k( 19) = ( 0.1285714 -0.0000000 0.1285714), wk = 0.0021692
k( 20) = ( 0.1357143 -0.0000000 0.1357143), wk = 0.0021692
k( 21) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0021692
k( 22) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0021692
k( 23) = ( 0.1571429 -0.0000000 0.1571429), wk = 0.0021692
k( 24) = ( 0.1642857 -0.0000000 0.1642857), wk = 0.0021692
k( 25) = ( 0.1714286 -0.0000000 0.1714286), wk = 0.0021692
k( 26) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0021692
k( 27) = ( 0.1857143 -0.0000000 0.1857143), wk = 0.0021692
k( 28) = ( 0.1928571 -0.0000000 0.1928571), wk = 0.0021692
k( 29) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0021692
k( 30) = ( 0.2071429 -0.0000000 0.2071429), wk = 0.0021692
k( 31) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0021692
k( 32) = ( 0.2214286 -0.0000000 0.2214286), wk = 0.0021692
k( 33) = ( 0.2285714 -0.0000000 0.2285714), wk = 0.0021692
k( 34) = ( 0.2357143 -0.0000000 0.2357143), wk = 0.0021692
k( 35) = ( 0.2428571 -0.0000000 0.2428571), wk = 0.0021692
k( 36) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0021692
k( 37) = ( 0.2571429 -0.0000000 0.2571429), wk = 0.0021692
k( 38) = ( 0.2642857 -0.0000000 0.2642857), wk = 0.0021692
k( 39) = ( 0.2714286 -0.0000000 0.2714286), wk = 0.0021692
k( 40) = ( 0.2785714 -0.0000000 0.2785714), wk = 0.0021692
k( 41) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0021692
k( 42) = ( 0.2928571 -0.0000000 0.2928571), wk = 0.0021692
k( 43) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0021692
k( 44) = ( 0.3071429 -0.0000000 0.3071429), wk = 0.0021692
k( 45) = ( 0.3142857 -0.0000000 0.3142857), wk = 0.0021692
k( 46) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0021692
k( 47) = ( 0.3285714 -0.0000000 0.3285714), wk = 0.0021692
k( 48) = ( 0.3357143 -0.0000000 0.3357143), wk = 0.0021692
k( 49) = ( 0.3428571 -0.0000000 0.3428571), wk = 0.0021692
k( 50) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0021692
k( 51) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0021692
k( 52) = ( 0.3642857 -0.0000000 0.3642857), wk = 0.0021692
k( 53) = ( 0.3714286 -0.0000000 0.3714286), wk = 0.0021692
k( 54) = ( 0.3785714 -0.0000000 0.3785714), wk = 0.0021692
k( 55) = ( 0.3857143 -0.0000000 0.3857143), wk = 0.0021692
k( 56) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0021692
k( 57) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0021692
k( 58) = ( 0.4071429 -0.0000000 0.4071429), wk = 0.0021692
k( 59) = ( 0.4142857 -0.0000000 0.4142857), wk = 0.0021692
k( 60) = ( 0.4214286 -0.0000000 0.4214286), wk = 0.0021692
k( 61) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0021692
k( 62) = ( 0.4357143 -0.0000000 0.4357143), wk = 0.0021692
k( 63) = ( 0.4428571 -0.0000000 0.4428571), wk = 0.0021692
k( 64) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0021692
k( 65) = ( 0.4571429 -0.0000000 0.4571429), wk = 0.0021692
k( 66) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0021692
k( 67) = ( 0.4714286 -0.0000000 0.4714286), wk = 0.0021692
k( 68) = ( 0.4785714 -0.0000000 0.4785714), wk = 0.0021692
k( 69) = ( 0.4857143 -0.0000000 0.4857143), wk = 0.0021692
k( 70) = ( 0.4928571 -0.0000000 0.4928571), wk = 0.0021692
k( 71) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692
k( 72) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692
k( 73) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0021692
k( 74) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0021692
k( 75) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0021692
k( 76) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0021692
k( 77) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0021692
k( 78) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0021692
k( 79) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0021692
k( 80) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0021692
k( 81) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0021692
k( 82) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0021692
k( 83) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0021692
k( 84) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0021692
k( 85) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0021692
k( 86) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0021692
k( 87) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0021692
k( 88) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0021692
k( 89) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0021692
k( 90) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0021692
k( 91) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0021692
k( 92) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0021692
k( 93) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0021692
k( 94) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0021692
k( 95) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0021692
k( 96) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0021692
k( 97) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0021692
k( 98) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0021692
k( 99) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0021692
k( 100) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0021692
k( 101) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0021692
k( 102) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0021692
k( 103) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0021692
k( 104) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0021692
k( 105) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0021692
k( 106) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0021692
k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692
k( 108) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692
k( 109) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021692
k( 110) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021692
k( 111) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021692
k( 112) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021692
k( 113) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021692
k( 114) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021692
k( 115) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021692
k( 116) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021692
k( 117) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021692
k( 118) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021692
k( 119) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021692
k( 120) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021692
k( 121) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021692
k( 122) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021692
k( 123) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021692
k( 124) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021692
k( 125) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021692
k( 126) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021692
k( 127) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021692
k( 128) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021692
k( 129) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021692
k( 130) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021692
k( 131) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021692
k( 132) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021692
k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692
k( 134) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692
k( 135) = ( 0.3699324 0.3699324 0.7398649), wk = 0.0021692
k( 136) = ( 0.3648649 0.3648649 0.7297297), wk = 0.0021692
k( 137) = ( 0.3597973 0.3597973 0.7195946), wk = 0.0021692
k( 138) = ( 0.3547297 0.3547297 0.7094595), wk = 0.0021692
k( 139) = ( 0.3496622 0.3496622 0.6993243), wk = 0.0021692
k( 140) = ( 0.3445946 0.3445946 0.6891892), wk = 0.0021692
k( 141) = ( 0.3395270 0.3395270 0.6790540), wk = 0.0021692
k( 142) = ( 0.3344595 0.3344595 0.6689189), wk = 0.0021692
k( 143) = ( 0.3293919 0.3293919 0.6587838), wk = 0.0021692
k( 144) = ( 0.3243243 0.3243243 0.6486487), wk = 0.0021692
k( 145) = ( 0.3192568 0.3192568 0.6385135), wk = 0.0021692
k( 146) = ( 0.3141892 0.3141892 0.6283784), wk = 0.0021692
k( 147) = ( 0.3091216 0.3091216 0.6182432), wk = 0.0021692
k( 148) = ( 0.3040541 0.3040541 0.6081081), wk = 0.0021692
k( 149) = ( 0.2989865 0.2989865 0.5979730), wk = 0.0021692
k( 150) = ( 0.2939189 0.2939189 0.5878378), wk = 0.0021692
k( 151) = ( 0.2888514 0.2888514 0.5777027), wk = 0.0021692
k( 152) = ( 0.2837838 0.2837838 0.5675676), wk = 0.0021692
k( 153) = ( 0.2787162 0.2787162 0.5574324), wk = 0.0021692
k( 154) = ( 0.2736486 0.2736486 0.5472973), wk = 0.0021692
k( 155) = ( 0.2685811 0.2685811 0.5371622), wk = 0.0021692
k( 156) = ( 0.2635135 0.2635135 0.5270270), wk = 0.0021692
k( 157) = ( 0.2584459 0.2584459 0.5168919), wk = 0.0021692
k( 158) = ( 0.2533784 0.2533784 0.5067568), wk = 0.0021692
k( 159) = ( 0.2483108 0.2483108 0.4966216), wk = 0.0021692
k( 160) = ( 0.2432432 0.2432432 0.4864865), wk = 0.0021692
k( 161) = ( 0.2381757 0.2381757 0.4763514), wk = 0.0021692
k( 162) = ( 0.2331081 0.2331081 0.4662162), wk = 0.0021692
k( 163) = ( 0.2280405 0.2280405 0.4560811), wk = 0.0021692
k( 164) = ( 0.2229730 0.2229730 0.4459459), wk = 0.0021692
k( 165) = ( 0.2179054 0.2179054 0.4358108), wk = 0.0021692
k( 166) = ( 0.2128378 0.2128378 0.4256757), wk = 0.0021692
k( 167) = ( 0.2077703 0.2077703 0.4155405), wk = 0.0021692
k( 168) = ( 0.2027027 0.2027027 0.4054054), wk = 0.0021692
k( 169) = ( 0.1976351 0.1976351 0.3952703), wk = 0.0021692
k( 170) = ( 0.1925676 0.1925676 0.3851351), wk = 0.0021692
k( 171) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0021692
k( 172) = ( 0.1824324 0.1824324 0.3648649), wk = 0.0021692
k( 173) = ( 0.1773649 0.1773649 0.3547297), wk = 0.0021692
k( 174) = ( 0.1722973 0.1722973 0.3445946), wk = 0.0021692
k( 175) = ( 0.1672297 0.1672297 0.3344595), wk = 0.0021692
k( 176) = ( 0.1621622 0.1621622 0.3243243), wk = 0.0021692
k( 177) = ( 0.1570946 0.1570946 0.3141892), wk = 0.0021692
k( 178) = ( 0.1520270 0.1520270 0.3040540), wk = 0.0021692
k( 179) = ( 0.1469595 0.1469595 0.2939189), wk = 0.0021692
k( 180) = ( 0.1418919 0.1418919 0.2837838), wk = 0.0021692
k( 181) = ( 0.1368243 0.1368243 0.2736486), wk = 0.0021692
k( 182) = ( 0.1317568 0.1317568 0.2635135), wk = 0.0021692
k( 183) = ( 0.1266892 0.1266892 0.2533784), wk = 0.0021692
k( 184) = ( 0.1216216 0.1216216 0.2432432), wk = 0.0021692
k( 185) = ( 0.1165541 0.1165541 0.2331081), wk = 0.0021692
k( 186) = ( 0.1114865 0.1114865 0.2229730), wk = 0.0021692
k( 187) = ( 0.1064189 0.1064189 0.2128378), wk = 0.0021692
k( 188) = ( 0.1013514 0.1013514 0.2027027), wk = 0.0021692
k( 189) = ( 0.0962838 0.0962838 0.1925676), wk = 0.0021692
k( 190) = ( 0.0912162 0.0912162 0.1824324), wk = 0.0021692
k( 191) = ( 0.0861486 0.0861486 0.1722973), wk = 0.0021692
k( 192) = ( 0.0810811 0.0810811 0.1621622), wk = 0.0021692
k( 193) = ( 0.0760135 0.0760135 0.1520270), wk = 0.0021692
k( 194) = ( 0.0709459 0.0709459 0.1418919), wk = 0.0021692
k( 195) = ( 0.0658784 0.0658784 0.1317568), wk = 0.0021692
k( 196) = ( 0.0608108 0.0608108 0.1216216), wk = 0.0021692
k( 197) = ( 0.0557432 0.0557432 0.1114865), wk = 0.0021692
k( 198) = ( 0.0506757 0.0506757 0.1013514), wk = 0.0021692
k( 199) = ( 0.0456081 0.0456081 0.0912162), wk = 0.0021692
k( 200) = ( 0.0405405 0.0405405 0.0810811), wk = 0.0021692
k( 201) = ( 0.0354730 0.0354730 0.0709459), wk = 0.0021692
k( 202) = ( 0.0304054 0.0304054 0.0608108), wk = 0.0021692
k( 203) = ( 0.0253378 0.0253378 0.0506757), wk = 0.0021692
k( 204) = ( 0.0202703 0.0202703 0.0405405), wk = 0.0021692
k( 205) = ( 0.0152027 0.0152027 0.0304054), wk = 0.0021692
k( 206) = ( 0.0101351 0.0101351 0.0202703), wk = 0.0021692
k( 207) = ( 0.0050676 0.0050676 0.0101351), wk = 0.0021692
k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021692
k( 210) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0021692
k( 211) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0021692
k( 212) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0021692
k( 213) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0021692
k( 214) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0021692
k( 215) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0021692
k( 216) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0021692
k( 217) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0021692
k( 218) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0021692
k( 219) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0021692
k( 220) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0021692
k( 221) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0021692
k( 222) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0021692
k( 223) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0021692
k( 224) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0021692
k( 225) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0021692
k( 226) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0021692
k( 227) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0021692
k( 228) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0021692
k( 229) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0021692
k( 230) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0021692
k( 231) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0021692
k( 232) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0021692
k( 233) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0021692
k( 234) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0021692
k( 235) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0021692
k( 236) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0021692
k( 237) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0021692
k( 238) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0021692
k( 239) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0021692
k( 240) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0021692
k( 241) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0021692
k( 242) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0021692
k( 243) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0021692
k( 244) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0021692
k( 245) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0021692
k( 246) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0021692
k( 247) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0021692
k( 248) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0021692
k( 249) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0021692
k( 250) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0021692
k( 251) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0021692
k( 252) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0021692
k( 253) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0021692
k( 254) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0021692
k( 255) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0021692
k( 256) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0021692
k( 257) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0021692
k( 258) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0021692
k( 259) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0021692
k( 260) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0021692
k( 261) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0021692
k( 262) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0021692
k( 263) = ( 0.4426230 0.4426230 0.4426229), wk = 0.0021692
k( 264) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0021692
k( 265) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0021692
k( 266) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0021692
k( 267) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0021692
k( 268) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0021692
k( 269) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0021692
k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692
k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692
k( 272) = ( 0.5029070 0.4941860 0.5029070), wk = 0.0021692
k( 273) = ( 0.5058139 0.4883721 0.5058139), wk = 0.0021692
k( 274) = ( 0.5087209 0.4825581 0.5087209), wk = 0.0021692
k( 275) = ( 0.5116279 0.4767442 0.5116279), wk = 0.0021692
k( 276) = ( 0.5145349 0.4709302 0.5145349), wk = 0.0021692
k( 277) = ( 0.5174419 0.4651163 0.5174419), wk = 0.0021692
k( 278) = ( 0.5203488 0.4593023 0.5203488), wk = 0.0021692
k( 279) = ( 0.5232558 0.4534884 0.5232558), wk = 0.0021692
k( 280) = ( 0.5261628 0.4476744 0.5261628), wk = 0.0021692
k( 281) = ( 0.5290698 0.4418605 0.5290698), wk = 0.0021692
k( 282) = ( 0.5319767 0.4360465 0.5319767), wk = 0.0021692
k( 283) = ( 0.5348837 0.4302326 0.5348837), wk = 0.0021692
k( 284) = ( 0.5377907 0.4244186 0.5377907), wk = 0.0021692
k( 285) = ( 0.5406977 0.4186046 0.5406977), wk = 0.0021692
k( 286) = ( 0.5436047 0.4127907 0.5436046), wk = 0.0021692
k( 287) = ( 0.5465116 0.4069767 0.5465116), wk = 0.0021692
k( 288) = ( 0.5494186 0.4011628 0.5494186), wk = 0.0021692
k( 289) = ( 0.5523256 0.3953488 0.5523256), wk = 0.0021692
k( 290) = ( 0.5552326 0.3895349 0.5552326), wk = 0.0021692
k( 291) = ( 0.5581395 0.3837209 0.5581395), wk = 0.0021692
k( 292) = ( 0.5610465 0.3779070 0.5610465), wk = 0.0021692
k( 293) = ( 0.5639535 0.3720930 0.5639535), wk = 0.0021692
k( 294) = ( 0.5668605 0.3662791 0.5668605), wk = 0.0021692
k( 295) = ( 0.5697674 0.3604651 0.5697674), wk = 0.0021692
k( 296) = ( 0.5726744 0.3546512 0.5726744), wk = 0.0021692
k( 297) = ( 0.5755814 0.3488372 0.5755814), wk = 0.0021692
k( 298) = ( 0.5784884 0.3430233 0.5784884), wk = 0.0021692
k( 299) = ( 0.5813953 0.3372093 0.5813953), wk = 0.0021692
k( 300) = ( 0.5843023 0.3313953 0.5843023), wk = 0.0021692
k( 301) = ( 0.5872093 0.3255814 0.5872093), wk = 0.0021692
k( 302) = ( 0.5901163 0.3197674 0.5901163), wk = 0.0021692
k( 303) = ( 0.5930233 0.3139535 0.5930233), wk = 0.0021692
k( 304) = ( 0.5959302 0.3081395 0.5959302), wk = 0.0021692
k( 305) = ( 0.5988372 0.3023256 0.5988372), wk = 0.0021692
k( 306) = ( 0.6017442 0.2965116 0.6017442), wk = 0.0021692
k( 307) = ( 0.6046512 0.2906977 0.6046512), wk = 0.0021692
k( 308) = ( 0.6075581 0.2848837 0.6075581), wk = 0.0021692
k( 309) = ( 0.6104651 0.2790698 0.6104651), wk = 0.0021692
k( 310) = ( 0.6133721 0.2732558 0.6133721), wk = 0.0021692
k( 311) = ( 0.6162791 0.2674419 0.6162791), wk = 0.0021692
k( 312) = ( 0.6191861 0.2616279 0.6191860), wk = 0.0021692
k( 313) = ( 0.6220930 0.2558139 0.6220930), wk = 0.0021692
k( 314) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692
k( 315) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692
k( 316) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021692
k( 317) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021692
k( 318) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021692
k( 319) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021692
k( 320) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021692
k( 321) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021692
k( 322) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021692
k( 323) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021692
k( 324) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021692
k( 325) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021692
k( 326) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021692
k( 327) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021692
k( 328) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021692
k( 329) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021692
k( 330) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021692
k( 331) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021692
k( 332) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021692
k( 333) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021692
k( 334) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021692
k( 335) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021692
k( 336) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021692
k( 337) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021692
k( 338) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021692
k( 339) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021692
k( 340) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692
k( 341) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021692
k( 342) = ( 0.5000000 0.2550000 0.7450000), wk = 0.0021692
k( 343) = ( 0.5000000 0.2600000 0.7400000), wk = 0.0021692
k( 344) = ( 0.5000000 0.2650000 0.7350000), wk = 0.0021692
k( 345) = ( 0.5000000 0.2700000 0.7300000), wk = 0.0021692
k( 346) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0021692
k( 347) = ( 0.5000000 0.2800000 0.7200000), wk = 0.0021692
k( 348) = ( 0.5000000 0.2850000 0.7150000), wk = 0.0021692
k( 349) = ( 0.5000000 0.2900000 0.7100000), wk = 0.0021692
k( 350) = ( 0.5000000 0.2950000 0.7050000), wk = 0.0021692
k( 351) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0021692
k( 352) = ( 0.5000000 0.3050000 0.6950000), wk = 0.0021692
k( 353) = ( 0.5000000 0.3100000 0.6900000), wk = 0.0021692
k( 354) = ( 0.5000000 0.3150000 0.6850000), wk = 0.0021692
k( 355) = ( 0.5000000 0.3200000 0.6800000), wk = 0.0021692
k( 356) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0021692
k( 357) = ( 0.5000000 0.3300000 0.6700000), wk = 0.0021692
k( 358) = ( 0.5000000 0.3350000 0.6650000), wk = 0.0021692
k( 359) = ( 0.5000000 0.3400000 0.6600000), wk = 0.0021692
k( 360) = ( 0.5000000 0.3450000 0.6550000), wk = 0.0021692
k( 361) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0021692
k( 362) = ( 0.5000000 0.3550000 0.6450000), wk = 0.0021692
k( 363) = ( 0.5000000 0.3600000 0.6400000), wk = 0.0021692
k( 364) = ( 0.5000000 0.3650000 0.6350000), wk = 0.0021692
k( 365) = ( 0.5000000 0.3700000 0.6300000), wk = 0.0021692
k( 366) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0021692
k( 367) = ( 0.5000000 0.3800000 0.6200000), wk = 0.0021692
k( 368) = ( 0.5000000 0.3850000 0.6150000), wk = 0.0021692
k( 369) = ( 0.5000000 0.3900000 0.6100000), wk = 0.0021692
k( 370) = ( 0.5000000 0.3950000 0.6050000), wk = 0.0021692
k( 371) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0021692
k( 372) = ( 0.5000000 0.4050000 0.5950000), wk = 0.0021692
k( 373) = ( 0.5000000 0.4100000 0.5900000), wk = 0.0021692
k( 374) = ( 0.5000000 0.4150000 0.5850000), wk = 0.0021692
k( 375) = ( 0.5000000 0.4200000 0.5800000), wk = 0.0021692
k( 376) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0021692
k( 377) = ( 0.5000000 0.4300000 0.5700000), wk = 0.0021692
k( 378) = ( 0.5000000 0.4350000 0.5650000), wk = 0.0021692
k( 379) = ( 0.5000000 0.4400000 0.5600000), wk = 0.0021692
k( 380) = ( 0.5000000 0.4450000 0.5550000), wk = 0.0021692
k( 381) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0021692
k( 382) = ( 0.5000000 0.4550000 0.5450000), wk = 0.0021692
k( 383) = ( 0.5000000 0.4600000 0.5400000), wk = 0.0021692
k( 384) = ( 0.5000000 0.4650000 0.5350000), wk = 0.0021692
k( 385) = ( 0.5000000 0.4700000 0.5300000), wk = 0.0021692
k( 386) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0021692
k( 387) = ( 0.5000000 0.4800000 0.5200000), wk = 0.0021692
k( 388) = ( 0.5000000 0.4850000 0.5150000), wk = 0.0021692
k( 389) = ( 0.5000000 0.4900000 0.5100000), wk = 0.0021692
k( 390) = ( 0.5000000 0.4950000 0.5050000), wk = 0.0021692
k( 391) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692
k( 392) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021692
k( 393) = ( 0.4970930 0.4970930 0.5058139), wk = 0.0021692
k( 394) = ( 0.4941860 0.4941860 0.5116279), wk = 0.0021692
k( 395) = ( 0.4912791 0.4912791 0.5174419), wk = 0.0021692
k( 396) = ( 0.4883721 0.4883721 0.5232558), wk = 0.0021692
k( 397) = ( 0.4854651 0.4854651 0.5290698), wk = 0.0021692
k( 398) = ( 0.4825581 0.4825581 0.5348837), wk = 0.0021692
k( 399) = ( 0.4796512 0.4796512 0.5406977), wk = 0.0021692
k( 400) = ( 0.4767442 0.4767442 0.5465116), wk = 0.0021692
k( 401) = ( 0.4738372 0.4738372 0.5523256), wk = 0.0021692
k( 402) = ( 0.4709302 0.4709302 0.5581395), wk = 0.0021692
k( 403) = ( 0.4680233 0.4680233 0.5639535), wk = 0.0021692
k( 404) = ( 0.4651163 0.4651163 0.5697674), wk = 0.0021692
k( 405) = ( 0.4622093 0.4622093 0.5755814), wk = 0.0021692
k( 406) = ( 0.4593023 0.4593023 0.5813953), wk = 0.0021692
k( 407) = ( 0.4563953 0.4563953 0.5872093), wk = 0.0021692
k( 408) = ( 0.4534884 0.4534884 0.5930233), wk = 0.0021692
k( 409) = ( 0.4505814 0.4505814 0.5988372), wk = 0.0021692
k( 410) = ( 0.4476744 0.4476744 0.6046512), wk = 0.0021692
k( 411) = ( 0.4447674 0.4447674 0.6104651), wk = 0.0021692
k( 412) = ( 0.4418605 0.4418605 0.6162791), wk = 0.0021692
k( 413) = ( 0.4389535 0.4389535 0.6220930), wk = 0.0021692
k( 414) = ( 0.4360465 0.4360465 0.6279070), wk = 0.0021692
k( 415) = ( 0.4331395 0.4331395 0.6337209), wk = 0.0021692
k( 416) = ( 0.4302326 0.4302326 0.6395349), wk = 0.0021692
k( 417) = ( 0.4273256 0.4273256 0.6453488), wk = 0.0021692
k( 418) = ( 0.4244186 0.4244186 0.6511628), wk = 0.0021692
k( 419) = ( 0.4215116 0.4215116 0.6569767), wk = 0.0021692
k( 420) = ( 0.4186047 0.4186047 0.6627907), wk = 0.0021692
k( 421) = ( 0.4156977 0.4156977 0.6686047), wk = 0.0021692
k( 422) = ( 0.4127907 0.4127907 0.6744186), wk = 0.0021692
k( 423) = ( 0.4098837 0.4098837 0.6802326), wk = 0.0021692
k( 424) = ( 0.4069767 0.4069767 0.6860465), wk = 0.0021692
k( 425) = ( 0.4040698 0.4040698 0.6918605), wk = 0.0021692
k( 426) = ( 0.4011628 0.4011628 0.6976744), wk = 0.0021692
k( 427) = ( 0.3982558 0.3982558 0.7034884), wk = 0.0021692
k( 428) = ( 0.3953488 0.3953488 0.7093023), wk = 0.0021692
k( 429) = ( 0.3924419 0.3924419 0.7151163), wk = 0.0021692
k( 430) = ( 0.3895349 0.3895349 0.7209302), wk = 0.0021692
k( 431) = ( 0.3866279 0.3866279 0.7267442), wk = 0.0021692
k( 432) = ( 0.3837209 0.3837209 0.7325581), wk = 0.0021692
k( 433) = ( 0.3808140 0.3808140 0.7383721), wk = 0.0021692
k( 434) = ( 0.3779070 0.3779070 0.7441860), wk = 0.0021692
k( 435) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021692
k( 436) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021692
k( 437) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021692
k( 438) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021692
k( 439) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021692
k( 440) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021692
k( 441) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021692
k( 442) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021692
k( 443) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021692
k( 444) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021692
k( 445) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021692
k( 446) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021692
k( 447) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021692
k( 448) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021692
k( 449) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021692
k( 450) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021692
k( 451) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021692
k( 452) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021692
k( 453) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021692
k( 454) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021692
k( 455) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021692
k( 456) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021692
k( 457) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021692
k( 458) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021692
k( 459) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021692
k( 460) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021692
k( 461) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021692
Dense grid: 15353 G-vectors FFT dimensions: ( 36, 36, 36)
Smooth grid: 6183 G-vectors FFT dimensions: ( 25, 25, 25)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.02 Mb ( 44, 26)
NL pseudopotentials 0.02 Mb ( 22, 48)
Each V/rho on FFT grid 0.02 Mb ( 1296)
Each G-vector array 0.00 Mb ( 426)
G-vector shells 0.00 Mb ( 161)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.07 Mb ( 44, 104)
Each subspace H/S matrix 0.01 Mb ( 26, 26)
Each <psi_i|beta_j> matrix 0.04 Mb ( 48, 2, 26)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./InN.save/charge-density.dat
Starting wfc are 26 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.7 secs
Computing kpt #: 2
total cpu time spent up to now is 1.9 secs
Computing kpt #: 3
total cpu time spent up to now is 2.1 secs
Computing kpt #: 4
total cpu time spent up to now is 2.2 secs
Computing kpt #: 5
total cpu time spent up to now is 2.3 secs
Computing kpt #: 6
total cpu time spent up to now is 2.4 secs
Computing kpt #: 7
total cpu time spent up to now is 2.5 secs
Computing kpt #: 8
total cpu time spent up to now is 2.6 secs
Computing kpt #: 9
total cpu time spent up to now is 2.7 secs
Computing kpt #: 10
total cpu time spent up to now is 2.8 secs
Computing kpt #: 11
total cpu time spent up to now is 2.9 secs
Computing kpt #: 12
total cpu time spent up to now is 3.0 secs
Computing kpt #: 13
total cpu time spent up to now is 3.1 secs
Computing kpt #: 14
total cpu time spent up to now is 3.2 secs
Computing kpt #: 15
total cpu time spent up to now is 3.3 secs
Computing kpt #: 16
total cpu time spent up to now is 3.4 secs
Computing kpt #: 17
total cpu time spent up to now is 3.5 secs
Computing kpt #: 18
total cpu time spent up to now is 3.6 secs
Computing kpt #: 19
total cpu time spent up to now is 3.7 secs
Computing kpt #: 20
total cpu time spent up to now is 3.8 secs
Computing kpt #: 21
total cpu time spent up to now is 3.9 secs
Computing kpt #: 22
total cpu time spent up to now is 4.0 secs
Computing kpt #: 23
total cpu time spent up to now is 4.1 secs
Computing kpt #: 24
total cpu time spent up to now is 4.1 secs
Computing kpt #: 25
total cpu time spent up to now is 4.2 secs
Computing kpt #: 26
total cpu time spent up to now is 4.3 secs
Computing kpt #: 27
total cpu time spent up to now is 4.4 secs
Computing kpt #: 28
total cpu time spent up to now is 4.5 secs
Computing kpt #: 29
total cpu time spent up to now is 4.6 secs
Computing kpt #: 30
total cpu time spent up to now is 4.7 secs
Computing kpt #: 31
total cpu time spent up to now is 4.8 secs
Computing kpt #: 32
total cpu time spent up to now is 4.9 secs
Computing kpt #: 33
total cpu time spent up to now is 5.0 secs
Computing kpt #: 34
total cpu time spent up to now is 5.1 secs
Computing kpt #: 35
total cpu time spent up to now is 5.1 secs
Computing kpt #: 36
total cpu time spent up to now is 5.2 secs
Computing kpt #: 37
total cpu time spent up to now is 5.3 secs
Computing kpt #: 38
total cpu time spent up to now is 5.4 secs
Computing kpt #: 39
total cpu time spent up to now is 5.5 secs
Computing kpt #: 40
total cpu time spent up to now is 5.6 secs
Computing kpt #: 41
total cpu time spent up to now is 5.7 secs
Computing kpt #: 42
total cpu time spent up to now is 5.8 secs
Computing kpt #: 43
total cpu time spent up to now is 5.9 secs
Computing kpt #: 44
total cpu time spent up to now is 6.0 secs
Computing kpt #: 45
total cpu time spent up to now is 6.1 secs
Computing kpt #: 46
total cpu time spent up to now is 6.1 secs
Computing kpt #: 47
total cpu time spent up to now is 6.2 secs
Computing kpt #: 48
total cpu time spent up to now is 6.3 secs
Computing kpt #: 49
total cpu time spent up to now is 6.4 secs
Computing kpt #: 50
total cpu time spent up to now is 6.5 secs
Computing kpt #: 51
total cpu time spent up to now is 6.6 secs
Computing kpt #: 52
total cpu time spent up to now is 6.7 secs
Computing kpt #: 53
total cpu time spent up to now is 6.7 secs
Computing kpt #: 54
total cpu time spent up to now is 6.8 secs
Computing kpt #: 55
total cpu time spent up to now is 6.9 secs
Computing kpt #: 56
total cpu time spent up to now is 7.0 secs
Computing kpt #: 57
total cpu time spent up to now is 7.1 secs
Computing kpt #: 58
total cpu time spent up to now is 7.2 secs
Computing kpt #: 59
total cpu time spent up to now is 7.3 secs
Computing kpt #: 60
total cpu time spent up to now is 7.3 secs
Computing kpt #: 61
total cpu time spent up to now is 7.4 secs
Computing kpt #: 62
total cpu time spent up to now is 7.5 secs
Computing kpt #: 63
total cpu time spent up to now is 7.6 secs
Computing kpt #: 64
total cpu time spent up to now is 7.7 secs
Computing kpt #: 65
total cpu time spent up to now is 7.8 secs
Computing kpt #: 66
total cpu time spent up to now is 7.8 secs
Computing kpt #: 67
total cpu time spent up to now is 7.9 secs
Computing kpt #: 68
total cpu time spent up to now is 8.0 secs
Computing kpt #: 69
total cpu time spent up to now is 8.1 secs
Computing kpt #: 70
total cpu time spent up to now is 8.2 secs
Computing kpt #: 71
total cpu time spent up to now is 8.2 secs
Computing kpt #: 72
total cpu time spent up to now is 8.3 secs
Computing kpt #: 73
total cpu time spent up to now is 8.4 secs
Computing kpt #: 74
total cpu time spent up to now is 8.5 secs
Computing kpt #: 75
total cpu time spent up to now is 8.6 secs
Computing kpt #: 76
total cpu time spent up to now is 8.7 secs
Computing kpt #: 77
total cpu time spent up to now is 8.8 secs
Computing kpt #: 78
total cpu time spent up to now is 8.8 secs
Computing kpt #: 79
total cpu time spent up to now is 8.9 secs
Computing kpt #: 80
total cpu time spent up to now is 9.0 secs
Computing kpt #: 81
total cpu time spent up to now is 9.1 secs
Computing kpt #: 82
total cpu time spent up to now is 9.2 secs
Computing kpt #: 83
total cpu time spent up to now is 9.3 secs
Computing kpt #: 84
total cpu time spent up to now is 9.3 secs
Computing kpt #: 85
total cpu time spent up to now is 9.4 secs
Computing kpt #: 86
total cpu time spent up to now is 9.5 secs
Computing kpt #: 87
total cpu time spent up to now is 9.5 secs
Computing kpt #: 88
total cpu time spent up to now is 9.6 secs
Computing kpt #: 89
total cpu time spent up to now is 9.7 secs
Computing kpt #: 90
total cpu time spent up to now is 9.8 secs
Computing kpt #: 91
total cpu time spent up to now is 9.8 secs
Computing kpt #: 92
total cpu time spent up to now is 9.9 secs
Computing kpt #: 93
total cpu time spent up to now is 10.0 secs
Computing kpt #: 94
total cpu time spent up to now is 10.0 secs
Computing kpt #: 95
total cpu time spent up to now is 10.1 secs
Computing kpt #: 96
total cpu time spent up to now is 10.2 secs
Computing kpt #: 97
total cpu time spent up to now is 10.2 secs
Computing kpt #: 98
total cpu time spent up to now is 10.3 secs
Computing kpt #: 99
total cpu time spent up to now is 10.4 secs
Computing kpt #: 100
total cpu time spent up to now is 10.4 secs
Computing kpt #: 101
total cpu time spent up to now is 10.5 secs
Computing kpt #: 102
total cpu time spent up to now is 10.6 secs
Computing kpt #: 103
total cpu time spent up to now is 10.6 secs
Computing kpt #: 104
total cpu time spent up to now is 10.7 secs
Computing kpt #: 105
total cpu time spent up to now is 10.8 secs
Computing kpt #: 106
total cpu time spent up to now is 10.8 secs
Computing kpt #: 107
total cpu time spent up to now is 11.0 secs
Computing kpt #: 108
total cpu time spent up to now is 11.1 secs
Computing kpt #: 109
total cpu time spent up to now is 11.1 secs
Computing kpt #: 110
total cpu time spent up to now is 11.2 secs
Computing kpt #: 111
total cpu time spent up to now is 11.3 secs
Computing kpt #: 112
total cpu time spent up to now is 11.3 secs
Computing kpt #: 113
total cpu time spent up to now is 11.4 secs
Computing kpt #: 114
total cpu time spent up to now is 11.5 secs
Computing kpt #: 115
total cpu time spent up to now is 11.5 secs
Computing kpt #: 116
total cpu time spent up to now is 11.6 secs
Computing kpt #: 117
total cpu time spent up to now is 11.7 secs
Computing kpt #: 118
total cpu time spent up to now is 11.7 secs
Computing kpt #: 119
total cpu time spent up to now is 11.8 secs
Computing kpt #: 120
total cpu time spent up to now is 11.9 secs
Computing kpt #: 121
total cpu time spent up to now is 11.9 secs
Computing kpt #: 122
total cpu time spent up to now is 12.0 secs
Computing kpt #: 123
total cpu time spent up to now is 12.1 secs
Computing kpt #: 124
total cpu time spent up to now is 12.1 secs
Computing kpt #: 125
total cpu time spent up to now is 12.2 secs
Computing kpt #: 126
total cpu time spent up to now is 12.3 secs
Computing kpt #: 127
total cpu time spent up to now is 12.3 secs
Computing kpt #: 128
total cpu time spent up to now is 12.4 secs
Computing kpt #: 129
total cpu time spent up to now is 12.5 secs
Computing kpt #: 130
total cpu time spent up to now is 12.5 secs
Computing kpt #: 131
total cpu time spent up to now is 12.6 secs
Computing kpt #: 132
total cpu time spent up to now is 12.7 secs
Computing kpt #: 133
total cpu time spent up to now is 12.7 secs
Computing kpt #: 134
total cpu time spent up to now is 12.8 secs
Computing kpt #: 135
total cpu time spent up to now is 12.9 secs
Computing kpt #: 136
total cpu time spent up to now is 12.9 secs
Computing kpt #: 137
total cpu time spent up to now is 13.0 secs
Computing kpt #: 138
total cpu time spent up to now is 13.1 secs
Computing kpt #: 139
total cpu time spent up to now is 13.1 secs
Computing kpt #: 140
total cpu time spent up to now is 13.2 secs
Computing kpt #: 141
total cpu time spent up to now is 13.2 secs
Computing kpt #: 142
total cpu time spent up to now is 13.3 secs
Computing kpt #: 143
total cpu time spent up to now is 13.4 secs
Computing kpt #: 144
total cpu time spent up to now is 13.4 secs
Computing kpt #: 145
total cpu time spent up to now is 13.5 secs
Computing kpt #: 146
total cpu time spent up to now is 13.6 secs
Computing kpt #: 147
total cpu time spent up to now is 13.6 secs
Computing kpt #: 148
total cpu time spent up to now is 13.7 secs
Computing kpt #: 149
total cpu time spent up to now is 13.8 secs
Computing kpt #: 150
total cpu time spent up to now is 13.8 secs
Computing kpt #: 151
total cpu time spent up to now is 13.9 secs
Computing kpt #: 152
total cpu time spent up to now is 14.0 secs
Computing kpt #: 153
total cpu time spent up to now is 14.0 secs
Computing kpt #: 154
total cpu time spent up to now is 14.1 secs
Computing kpt #: 155
total cpu time spent up to now is 14.2 secs
Computing kpt #: 156
total cpu time spent up to now is 14.2 secs
Computing kpt #: 157
total cpu time spent up to now is 14.3 secs
Computing kpt #: 158
total cpu time spent up to now is 14.4 secs
Computing kpt #: 159
total cpu time spent up to now is 14.4 secs
Computing kpt #: 160
total cpu time spent up to now is 14.5 secs
Computing kpt #: 161
total cpu time spent up to now is 14.6 secs
Computing kpt #: 162
total cpu time spent up to now is 14.6 secs
Computing kpt #: 163
total cpu time spent up to now is 14.7 secs
Computing kpt #: 164
total cpu time spent up to now is 14.8 secs
Computing kpt #: 165
total cpu time spent up to now is 14.8 secs
Computing kpt #: 166
total cpu time spent up to now is 14.9 secs
Computing kpt #: 167
total cpu time spent up to now is 14.9 secs
Computing kpt #: 168
total cpu time spent up to now is 15.0 secs
Computing kpt #: 169
total cpu time spent up to now is 15.1 secs
Computing kpt #: 170
total cpu time spent up to now is 15.1 secs
Computing kpt #: 171
total cpu time spent up to now is 15.2 secs
Computing kpt #: 172
total cpu time spent up to now is 15.3 secs
Computing kpt #: 173
total cpu time spent up to now is 15.3 secs
Computing kpt #: 174
total cpu time spent up to now is 15.4 secs
Computing kpt #: 175
total cpu time spent up to now is 15.5 secs
Computing kpt #: 176
total cpu time spent up to now is 15.5 secs
Computing kpt #: 177
total cpu time spent up to now is 15.6 secs
Computing kpt #: 178
total cpu time spent up to now is 15.7 secs
Computing kpt #: 179
total cpu time spent up to now is 15.7 secs
Computing kpt #: 180
total cpu time spent up to now is 15.8 secs
Computing kpt #: 181
total cpu time spent up to now is 15.9 secs
Computing kpt #: 182
total cpu time spent up to now is 16.0 secs
Computing kpt #: 183
total cpu time spent up to now is 16.0 secs
Computing kpt #: 184
total cpu time spent up to now is 16.1 secs
Computing kpt #: 185
total cpu time spent up to now is 16.2 secs
Computing kpt #: 186
total cpu time spent up to now is 16.3 secs
Computing kpt #: 187
total cpu time spent up to now is 16.3 secs
Computing kpt #: 188
total cpu time spent up to now is 16.4 secs
Computing kpt #: 189
total cpu time spent up to now is 16.5 secs
Computing kpt #: 190
total cpu time spent up to now is 16.6 secs
Computing kpt #: 191
total cpu time spent up to now is 16.7 secs
Computing kpt #: 192
total cpu time spent up to now is 16.8 secs
Computing kpt #: 193
total cpu time spent up to now is 16.9 secs
Computing kpt #: 194
total cpu time spent up to now is 17.0 secs
Computing kpt #: 195
total cpu time spent up to now is 17.1 secs
Computing kpt #: 196
total cpu time spent up to now is 17.3 secs
Computing kpt #: 197
total cpu time spent up to now is 17.4 secs
Computing kpt #: 198
total cpu time spent up to now is 17.6 secs
Computing kpt #: 199
total cpu time spent up to now is 17.7 secs
Computing kpt #: 200
total cpu time spent up to now is 17.9 secs
Computing kpt #: 201
total cpu time spent up to now is 18.0 secs
Computing kpt #: 202
total cpu time spent up to now is 18.1 secs
Computing kpt #: 203
total cpu time spent up to now is 18.2 secs
Computing kpt #: 204
total cpu time spent up to now is 18.4 secs
Computing kpt #: 205
total cpu time spent up to now is 18.5 secs
Computing kpt #: 206
total cpu time spent up to now is 18.6 secs
Computing kpt #: 207
total cpu time spent up to now is 18.7 secs
Computing kpt #: 208
total cpu time spent up to now is 18.9 secs
Computing kpt #: 209
total cpu time spent up to now is 19.0 secs
Computing kpt #: 210
total cpu time spent up to now is 19.1 secs
Computing kpt #: 211
total cpu time spent up to now is 19.2 secs
Computing kpt #: 212
total cpu time spent up to now is 19.4 secs
Computing kpt #: 213
total cpu time spent up to now is 19.5 secs
Computing kpt #: 214
total cpu time spent up to now is 19.6 secs
Computing kpt #: 215
total cpu time spent up to now is 19.7 secs
Computing kpt #: 216
total cpu time spent up to now is 19.8 secs
Computing kpt #: 217
total cpu time spent up to now is 19.9 secs
Computing kpt #: 218
total cpu time spent up to now is 20.0 secs
Computing kpt #: 219
total cpu time spent up to now is 20.1 secs
Computing kpt #: 220
total cpu time spent up to now is 20.2 secs
Computing kpt #: 221
total cpu time spent up to now is 20.3 secs
Computing kpt #: 222
total cpu time spent up to now is 20.4 secs
Computing kpt #: 223
total cpu time spent up to now is 20.5 secs
Computing kpt #: 224
total cpu time spent up to now is 20.6 secs
Computing kpt #: 225
total cpu time spent up to now is 20.7 secs
Computing kpt #: 226
total cpu time spent up to now is 20.8 secs
Computing kpt #: 227
total cpu time spent up to now is 20.9 secs
Computing kpt #: 228
total cpu time spent up to now is 21.0 secs
Computing kpt #: 229
total cpu time spent up to now is 21.1 secs
Computing kpt #: 230
total cpu time spent up to now is 21.1 secs
Computing kpt #: 231
total cpu time spent up to now is 21.2 secs
Computing kpt #: 232
total cpu time spent up to now is 21.3 secs
Computing kpt #: 233
total cpu time spent up to now is 21.4 secs
Computing kpt #: 234
total cpu time spent up to now is 21.5 secs
Computing kpt #: 235
total cpu time spent up to now is 21.5 secs
Computing kpt #: 236
total cpu time spent up to now is 21.6 secs
Computing kpt #: 237
total cpu time spent up to now is 21.7 secs
Computing kpt #: 238
total cpu time spent up to now is 21.8 secs
Computing kpt #: 239
total cpu time spent up to now is 21.8 secs
Computing kpt #: 240
total cpu time spent up to now is 21.9 secs
Computing kpt #: 241
total cpu time spent up to now is 22.0 secs
Computing kpt #: 242
total cpu time spent up to now is 22.0 secs
Computing kpt #: 243
total cpu time spent up to now is 22.1 secs
Computing kpt #: 244
total cpu time spent up to now is 22.2 secs
Computing kpt #: 245
total cpu time spent up to now is 22.2 secs
Computing kpt #: 246
total cpu time spent up to now is 22.3 secs
Computing kpt #: 247
total cpu time spent up to now is 22.4 secs
Computing kpt #: 248
total cpu time spent up to now is 22.4 secs
Computing kpt #: 249
total cpu time spent up to now is 22.5 secs
Computing kpt #: 250
total cpu time spent up to now is 22.5 secs
Computing kpt #: 251
total cpu time spent up to now is 22.6 secs
Computing kpt #: 252
total cpu time spent up to now is 22.7 secs
Computing kpt #: 253
total cpu time spent up to now is 22.7 secs
Computing kpt #: 254
total cpu time spent up to now is 22.8 secs
Computing kpt #: 255
total cpu time spent up to now is 22.9 secs
Computing kpt #: 256
total cpu time spent up to now is 22.9 secs
Computing kpt #: 257
total cpu time spent up to now is 23.0 secs
Computing kpt #: 258
total cpu time spent up to now is 23.1 secs
Computing kpt #: 259
total cpu time spent up to now is 23.1 secs
Computing kpt #: 260
total cpu time spent up to now is 23.2 secs
Computing kpt #: 261
total cpu time spent up to now is 23.3 secs
Computing kpt #: 262
total cpu time spent up to now is 23.3 secs
Computing kpt #: 263
total cpu time spent up to now is 23.4 secs
Computing kpt #: 264
total cpu time spent up to now is 23.5 secs
Computing kpt #: 265
total cpu time spent up to now is 23.5 secs
Computing kpt #: 266
total cpu time spent up to now is 23.6 secs
Computing kpt #: 267
total cpu time spent up to now is 23.7 secs
Computing kpt #: 268
total cpu time spent up to now is 23.7 secs
Computing kpt #: 269
total cpu time spent up to now is 23.8 secs
Computing kpt #: 270
total cpu time spent up to now is 23.8 secs
Computing kpt #: 271
total cpu time spent up to now is 23.9 secs
Computing kpt #: 272
total cpu time spent up to now is 24.0 secs
Computing kpt #: 273
total cpu time spent up to now is 24.0 secs
Computing kpt #: 274
total cpu time spent up to now is 24.1 secs
Computing kpt #: 275
total cpu time spent up to now is 24.2 secs
Computing kpt #: 276
total cpu time spent up to now is 24.2 secs
Computing kpt #: 277
total cpu time spent up to now is 24.3 secs
Computing kpt #: 278
total cpu time spent up to now is 24.4 secs
Computing kpt #: 279
total cpu time spent up to now is 24.4 secs
Computing kpt #: 280
total cpu time spent up to now is 24.5 secs
Computing kpt #: 281
total cpu time spent up to now is 24.6 secs
Computing kpt #: 282
total cpu time spent up to now is 24.6 secs
Computing kpt #: 283
total cpu time spent up to now is 24.7 secs
Computing kpt #: 284
total cpu time spent up to now is 24.8 secs
Computing kpt #: 285
total cpu time spent up to now is 24.8 secs
Computing kpt #: 286
total cpu time spent up to now is 24.9 secs
Computing kpt #: 287
total cpu time spent up to now is 25.0 secs
Computing kpt #: 288
total cpu time spent up to now is 25.0 secs
Computing kpt #: 289
total cpu time spent up to now is 25.1 secs
Computing kpt #: 290
total cpu time spent up to now is 25.2 secs
Computing kpt #: 291
total cpu time spent up to now is 25.2 secs
Computing kpt #: 292
total cpu time spent up to now is 25.3 secs
Computing kpt #: 293
total cpu time spent up to now is 25.4 secs
Computing kpt #: 294
total cpu time spent up to now is 25.4 secs
Computing kpt #: 295
total cpu time spent up to now is 25.5 secs
Computing kpt #: 296
total cpu time spent up to now is 25.6 secs
Computing kpt #: 297
total cpu time spent up to now is 25.6 secs
Computing kpt #: 298
total cpu time spent up to now is 25.7 secs
Computing kpt #: 299
total cpu time spent up to now is 25.8 secs
Computing kpt #: 300
total cpu time spent up to now is 25.8 secs
Computing kpt #: 301
total cpu time spent up to now is 25.9 secs
Computing kpt #: 302
total cpu time spent up to now is 26.0 secs
Computing kpt #: 303
total cpu time spent up to now is 26.0 secs
Computing kpt #: 304
total cpu time spent up to now is 26.1 secs
Computing kpt #: 305
total cpu time spent up to now is 26.2 secs
Computing kpt #: 306
total cpu time spent up to now is 26.2 secs
Computing kpt #: 307
total cpu time spent up to now is 26.3 secs
Computing kpt #: 308
total cpu time spent up to now is 26.4 secs
Computing kpt #: 309
total cpu time spent up to now is 26.4 secs
Computing kpt #: 310
total cpu time spent up to now is 26.5 secs
Computing kpt #: 311
total cpu time spent up to now is 26.6 secs
Computing kpt #: 312
total cpu time spent up to now is 26.6 secs
Computing kpt #: 313
total cpu time spent up to now is 26.7 secs
Computing kpt #: 314
total cpu time spent up to now is 26.8 secs
Computing kpt #: 315
total cpu time spent up to now is 26.8 secs
Computing kpt #: 316
total cpu time spent up to now is 26.9 secs
Computing kpt #: 317
total cpu time spent up to now is 27.0 secs
Computing kpt #: 318
total cpu time spent up to now is 27.0 secs
Computing kpt #: 319
total cpu time spent up to now is 27.1 secs
Computing kpt #: 320
total cpu time spent up to now is 27.2 secs
Computing kpt #: 321
total cpu time spent up to now is 27.2 secs
Computing kpt #: 322
total cpu time spent up to now is 27.3 secs
Computing kpt #: 323
total cpu time spent up to now is 27.4 secs
Computing kpt #: 324
total cpu time spent up to now is 27.4 secs
Computing kpt #: 325
total cpu time spent up to now is 27.5 secs
Computing kpt #: 326
total cpu time spent up to now is 27.6 secs
Computing kpt #: 327
total cpu time spent up to now is 27.6 secs
Computing kpt #: 328
total cpu time spent up to now is 27.7 secs
Computing kpt #: 329
total cpu time spent up to now is 27.8 secs
Computing kpt #: 330
total cpu time spent up to now is 27.8 secs
Computing kpt #: 331
total cpu time spent up to now is 27.9 secs
Computing kpt #: 332
total cpu time spent up to now is 28.0 secs
Computing kpt #: 333
total cpu time spent up to now is 28.0 secs
Computing kpt #: 334
total cpu time spent up to now is 28.1 secs
Computing kpt #: 335
total cpu time spent up to now is 28.2 secs
Computing kpt #: 336
total cpu time spent up to now is 28.2 secs
Computing kpt #: 337
total cpu time spent up to now is 28.3 secs
Computing kpt #: 338
total cpu time spent up to now is 28.4 secs
Computing kpt #: 339
total cpu time spent up to now is 28.4 secs
Computing kpt #: 340
total cpu time spent up to now is 28.5 secs
Computing kpt #: 341
total cpu time spent up to now is 28.6 secs
Computing kpt #: 342
total cpu time spent up to now is 28.6 secs
Computing kpt #: 343
total cpu time spent up to now is 28.7 secs
Computing kpt #: 344
total cpu time spent up to now is 28.8 secs
Computing kpt #: 345
total cpu time spent up to now is 28.8 secs
Computing kpt #: 346
total cpu time spent up to now is 28.9 secs
Computing kpt #: 347
total cpu time spent up to now is 29.0 secs
Computing kpt #: 348
total cpu time spent up to now is 29.0 secs
Computing kpt #: 349
total cpu time spent up to now is 29.1 secs
Computing kpt #: 350
total cpu time spent up to now is 29.2 secs
Computing kpt #: 351
total cpu time spent up to now is 29.2 secs
Computing kpt #: 352
total cpu time spent up to now is 29.3 secs
Computing kpt #: 353
total cpu time spent up to now is 29.4 secs
Computing kpt #: 354
total cpu time spent up to now is 29.4 secs
Computing kpt #: 355
total cpu time spent up to now is 29.5 secs
Computing kpt #: 356
total cpu time spent up to now is 29.5 secs
Computing kpt #: 357
total cpu time spent up to now is 29.6 secs
Computing kpt #: 358
total cpu time spent up to now is 29.7 secs
Computing kpt #: 359
total cpu time spent up to now is 29.7 secs
Computing kpt #: 360
total cpu time spent up to now is 29.8 secs
Computing kpt #: 361
total cpu time spent up to now is 29.9 secs
Computing kpt #: 362
total cpu time spent up to now is 29.9 secs
Computing kpt #: 363
total cpu time spent up to now is 30.0 secs
Computing kpt #: 364
total cpu time spent up to now is 30.1 secs
Computing kpt #: 365
total cpu time spent up to now is 30.1 secs
Computing kpt #: 366
total cpu time spent up to now is 30.2 secs
Computing kpt #: 367
total cpu time spent up to now is 30.3 secs
Computing kpt #: 368
total cpu time spent up to now is 30.4 secs
Computing kpt #: 369
total cpu time spent up to now is 30.4 secs
Computing kpt #: 370
total cpu time spent up to now is 30.5 secs
Computing kpt #: 371
total cpu time spent up to now is 30.6 secs
Computing kpt #: 372
total cpu time spent up to now is 30.6 secs
Computing kpt #: 373
total cpu time spent up to now is 30.7 secs
Computing kpt #: 374
total cpu time spent up to now is 30.8 secs
Computing kpt #: 375
total cpu time spent up to now is 30.9 secs
Computing kpt #: 376
total cpu time spent up to now is 30.9 secs
Computing kpt #: 377
total cpu time spent up to now is 31.0 secs
Computing kpt #: 378
total cpu time spent up to now is 31.1 secs
Computing kpt #: 379
total cpu time spent up to now is 31.1 secs
Computing kpt #: 380
total cpu time spent up to now is 31.2 secs
Computing kpt #: 381
total cpu time spent up to now is 31.2 secs
Computing kpt #: 382
total cpu time spent up to now is 31.3 secs
Computing kpt #: 383
total cpu time spent up to now is 31.4 secs
Computing kpt #: 384
total cpu time spent up to now is 31.4 secs
Computing kpt #: 385
total cpu time spent up to now is 31.5 secs
Computing kpt #: 386
total cpu time spent up to now is 31.6 secs
Computing kpt #: 387
total cpu time spent up to now is 31.6 secs
Computing kpt #: 388
total cpu time spent up to now is 31.7 secs
Computing kpt #: 389
total cpu time spent up to now is 31.8 secs
Computing kpt #: 390
total cpu time spent up to now is 31.8 secs
Computing kpt #: 391
total cpu time spent up to now is 31.9 secs
Computing kpt #: 392
total cpu time spent up to now is 32.0 secs
Computing kpt #: 393
total cpu time spent up to now is 32.0 secs
Computing kpt #: 394
total cpu time spent up to now is 32.1 secs
Computing kpt #: 395
total cpu time spent up to now is 32.2 secs
Computing kpt #: 396
total cpu time spent up to now is 32.2 secs
Computing kpt #: 397
total cpu time spent up to now is 32.3 secs
Computing kpt #: 398
total cpu time spent up to now is 32.4 secs
Computing kpt #: 399
total cpu time spent up to now is 32.4 secs
Computing kpt #: 400
total cpu time spent up to now is 32.5 secs
Computing kpt #: 401
total cpu time spent up to now is 32.6 secs
Computing kpt #: 402
total cpu time spent up to now is 32.6 secs
Computing kpt #: 403
total cpu time spent up to now is 32.7 secs
Computing kpt #: 404
total cpu time spent up to now is 32.8 secs
Computing kpt #: 405
total cpu time spent up to now is 32.8 secs
Computing kpt #: 406
total cpu time spent up to now is 32.9 secs
Computing kpt #: 407
total cpu time spent up to now is 33.0 secs
Computing kpt #: 408
total cpu time spent up to now is 33.0 secs
Computing kpt #: 409
total cpu time spent up to now is 33.1 secs
Computing kpt #: 410
total cpu time spent up to now is 33.2 secs
Computing kpt #: 411
total cpu time spent up to now is 33.2 secs
Computing kpt #: 412
total cpu time spent up to now is 33.3 secs
Computing kpt #: 413
total cpu time spent up to now is 33.4 secs
Computing kpt #: 414
total cpu time spent up to now is 33.4 secs
Computing kpt #: 415
total cpu time spent up to now is 33.5 secs
Computing kpt #: 416
total cpu time spent up to now is 33.6 secs
Computing kpt #: 417
total cpu time spent up to now is 33.6 secs
Computing kpt #: 418
total cpu time spent up to now is 33.7 secs
Computing kpt #: 419
total cpu time spent up to now is 33.8 secs
Computing kpt #: 420
total cpu time spent up to now is 33.8 secs
Computing kpt #: 421
total cpu time spent up to now is 33.9 secs
Computing kpt #: 422
total cpu time spent up to now is 34.0 secs
Computing kpt #: 423
total cpu time spent up to now is 34.0 secs
Computing kpt #: 424
total cpu time spent up to now is 34.1 secs
Computing kpt #: 425
total cpu time spent up to now is 34.2 secs
Computing kpt #: 426
total cpu time spent up to now is 34.2 secs
Computing kpt #: 427
total cpu time spent up to now is 34.3 secs
Computing kpt #: 428
total cpu time spent up to now is 34.4 secs
Computing kpt #: 429
total cpu time spent up to now is 34.4 secs
Computing kpt #: 430
total cpu time spent up to now is 34.5 secs
Computing kpt #: 431
total cpu time spent up to now is 34.6 secs
Computing kpt #: 432
total cpu time spent up to now is 34.6 secs
Computing kpt #: 433
total cpu time spent up to now is 34.7 secs
Computing kpt #: 434
total cpu time spent up to now is 34.8 secs
Computing kpt #: 435
total cpu time spent up to now is 34.8 secs
Computing kpt #: 436
total cpu time spent up to now is 34.9 secs
Computing kpt #: 437
total cpu time spent up to now is 35.0 secs
Computing kpt #: 438
total cpu time spent up to now is 35.0 secs
Computing kpt #: 439
total cpu time spent up to now is 35.1 secs
Computing kpt #: 440
total cpu time spent up to now is 35.2 secs
Computing kpt #: 441
total cpu time spent up to now is 35.3 secs
Computing kpt #: 442
total cpu time spent up to now is 35.3 secs
Computing kpt #: 443
total cpu time spent up to now is 35.4 secs
Computing kpt #: 444
total cpu time spent up to now is 35.5 secs
Computing kpt #: 445
total cpu time spent up to now is 35.6 secs
Computing kpt #: 446
total cpu time spent up to now is 35.6 secs
Computing kpt #: 447
total cpu time spent up to now is 35.7 secs
Computing kpt #: 448
total cpu time spent up to now is 35.8 secs
Computing kpt #: 449
total cpu time spent up to now is 35.9 secs
Computing kpt #: 450
total cpu time spent up to now is 36.0 secs
Computing kpt #: 451
total cpu time spent up to now is 36.1 secs
Computing kpt #: 452
total cpu time spent up to now is 36.1 secs
Computing kpt #: 453
total cpu time spent up to now is 36.2 secs
Computing kpt #: 454
total cpu time spent up to now is 36.3 secs
Computing kpt #: 455
total cpu time spent up to now is 36.4 secs
Computing kpt #: 456
total cpu time spent up to now is 36.5 secs
Computing kpt #: 457
total cpu time spent up to now is 36.6 secs
Computing kpt #: 458
total cpu time spent up to now is 36.7 secs
Computing kpt #: 459
total cpu time spent up to now is 36.7 secs
Computing kpt #: 460
total cpu time spent up to now is 36.8 secs
Computing kpt #: 461
total cpu time spent up to now is 36.9 secs
ethr = 5.56E-08, avg # of iterations = 11.6
total cpu time spent up to now is 36.9 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev):
-1.6117 -1.6117 0.4051 0.4051 0.4051 0.4051 1.1616 1.1616
1.3134 1.3134 1.3134 1.3134 13.5988 13.5988 13.6903 13.6903
13.6903 13.6903 15.2571 15.2571 27.3319 27.3319 28.9738 28.9738
28.9738 28.9738
k = 0.0071-0.0041 0.0058 ( 749 PWs) bands (ev):
-1.6106 -1.6106 0.4051 0.4051 0.4051 0.4051 1.1617 1.1617
1.3131 1.3131 1.3135 1.3135 13.5946 13.5946 13.6828 13.6828
13.6896 13.6896 15.2702 15.2702 27.3168 27.3168 28.9492 28.9492
28.9811 28.9811
k = 0.0143-0.0082 0.0117 ( 749 PWs) bands (ev):
-1.6072 -1.6072 0.4051 0.4051 0.4052 0.4052 1.1619 1.1619
1.3123 1.3123 1.3137 1.3137 13.5795 13.5795 13.6640 13.6640
13.6876 13.6876 15.3086 15.3086 27.2736 27.2736 28.8829 28.8829
28.9830 28.9830
k = 0.0214-0.0124 0.0175 ( 749 PWs) bands (ev):
-1.6016 -1.6016 0.4051 0.4051 0.4053 0.4053 1.1624 1.1624
1.3108 1.3108 1.3140 1.3140 13.5458 13.5458 13.6443 13.6443
13.6841 13.6841 15.3695 15.3695 27.2066 27.2066 28.7893 28.7893
28.9504 28.9504
k = 0.0286-0.0165 0.0233 ( 749 PWs) bands (ev):
-1.5939 -1.5939 0.4052 0.4052 0.4055 0.4055 1.1630 1.1630
1.3088 1.3088 1.3145 1.3145 13.4911 13.4911 13.6296 13.6296
13.6793 13.6793 15.4492 15.4492 27.1215 27.1215 28.6803 28.6803
28.8918 28.8918
k = 0.0357-0.0206 0.0292 ( 753 PWs) bands (ev):
-1.5839 -1.5839 0.4052 0.4052 0.4057 0.4057 1.1638 1.1638
1.3061 1.3061 1.3151 1.3151 13.4206 13.4206 13.6181 13.6181
13.6731 13.6731 15.5441 15.5441 27.0233 27.0233 28.5630 28.5630
28.8182 28.8182
k = 0.0429-0.0247 0.0350 ( 753 PWs) bands (ev):
-1.5718 -1.5718 0.4052 0.4052 0.4060 0.4060 1.1647 1.1647
1.3031 1.3031 1.3159 1.3159 13.3401 13.3401 13.6073 13.6073
13.6656 13.6656 15.6512 15.6512 26.9161 26.9161 28.4413 28.4413
28.7352 28.7352
k = 0.0500-0.0289 0.0408 ( 761 PWs) bands (ev):
-1.5577 -1.5577 0.4052 0.4052 0.4063 0.4063 1.1658 1.1658
1.2997 1.2997 1.3167 1.3167 13.2528 13.2528 13.5961 13.5961
13.6565 13.6565 15.7679 15.7679 26.8029 26.8029 28.3173 28.3173
28.6462 28.6462
k = 0.0571-0.0330 0.0467 ( 757 PWs) bands (ev):
-1.5415 -1.5415 0.4052 0.4052 0.4069 0.4069 1.1671 1.1671
1.2961 1.2961 1.3178 1.3178 13.1616 13.1616 13.5840 13.5840
13.6461 13.6461 15.8922 15.8922 26.6860 26.6860 28.1924 28.1924
28.5539 28.5539
k = 0.0643-0.0371 0.0525 ( 765 PWs) bands (ev):
-1.5234 -1.5234 0.4051 0.4051 0.4075 0.4075 1.1684 1.1684
1.2921 1.2921 1.3190 1.3190 13.0676 13.0676 13.5705 13.5705
13.6342 13.6342 16.0225 16.0225 26.5669 26.5669 28.0665 28.0665
28.4600 28.4600
k = 0.0714-0.0412 0.0583 ( 773 PWs) bands (ev):
-1.5035 -1.5035 0.4050 0.4050 0.4081 0.4081 1.1700 1.1700
1.2879 1.2879 1.3204 1.3204 12.9721 12.9721 13.5559 13.5559
13.6210 13.6210 16.1576 16.1576 26.4469 26.4469 27.9391 27.9391
28.3659 28.3659
k = 0.0786-0.0454 0.0642 ( 773 PWs) bands (ev):
-1.4819 -1.4819 0.4049 0.4049 0.4091 0.4091 1.1717 1.1717
1.2837 1.2837 1.3221 1.3221 12.8763 12.8763 13.5399 13.5399
13.6063 13.6063 16.2966 16.2966 26.3267 26.3267 27.8087 27.8087
28.2728 28.2728
k = 0.0857-0.0495 0.0700 ( 773 PWs) bands (ev):
-1.4586 -1.4586 0.4049 0.4049 0.4103 0.4103 1.1736 1.1736
1.2796 1.2796 1.3240 1.3240 12.7806 12.7806 13.5224 13.5224
13.5903 13.5903 16.4385 16.4385 26.2070 26.2070 27.6724 27.6724
28.1813 28.1813
k = 0.0929-0.0536 0.0758 ( 773 PWs) bands (ev):
-1.4338 -1.4338 0.4047 0.4047 0.4117 0.4117 1.1755 1.1755
1.2757 1.2757 1.3260 1.3260 12.6855 12.6855 13.5035 13.5035
13.5728 13.5728 16.5828 16.5828 26.0882 26.0882 27.5254 27.5254
28.0921 28.0921
k = 0.1000-0.0577 0.0816 ( 773 PWs) bands (ev):
-1.4078 -1.4078 0.4045 0.4045 0.4136 0.4136 1.1776 1.1776
1.2721 1.2721 1.3284 1.3284 12.5912 12.5912 13.4831 13.4831
13.5538 13.5538 16.7288 16.7288 25.9706 25.9706 27.3615 27.3615
28.0058 28.0058
k = 0.1071-0.0619 0.0875 ( 769 PWs) bands (ev):
-1.3806 -1.3806 0.4043 0.4043 0.4159 0.4159 1.1799 1.1799
1.2689 1.2689 1.3310 1.3310 12.4981 12.4981 13.4613 13.4613
13.5335 13.5335 16.8759 16.8759 25.8545 25.8545 27.1747 27.1747
27.8782 27.8782
k = 0.1143-0.0660 0.0933 ( 777 PWs) bands (ev):
-1.3524 -1.3524 0.4039 0.4039 0.4186 0.4186 1.1821 1.1821
1.2662 1.2662 1.3338 1.3338 12.4062 12.4062 13.4377 13.4377
13.5115 13.5115 17.0236 17.0236 25.7400 25.7400 26.9632 26.9632
27.7195 27.7195
k = 0.1214-0.0701 0.0991 ( 777 PWs) bands (ev):
-1.3235 -1.3235 0.4036 0.4036 0.4221 0.4221 1.1845 1.1845
1.2642 1.2642 1.3369 1.3369 12.3158 12.3158 13.4128 13.4128
13.4882 13.4882 17.1713 17.1713 25.6274 25.6274 26.7307 26.7307
27.5861 27.5861
k = 0.1286-0.0742 0.1050 ( 777 PWs) bands (ev):
-1.2942 -1.2942 0.4031 0.4031 0.4263 0.4263 1.1870 1.1870
1.2631 1.2631 1.3403 1.3403 12.2270 12.2270 13.3865 13.3865
13.4635 13.4635 17.3185 17.3185 25.5169 25.5169 26.4834 26.4834
27.4728 27.4728
k = 0.1357-0.0784 0.1108 ( 777 PWs) bands (ev):
-1.2646 -1.2646 0.4026 0.4026 0.4315 0.4315 1.1896 1.1896
1.2631 1.2631 1.3441 1.3441 12.1397 12.1397 13.3587 13.3587
13.4374 13.4374 17.4647 17.4647 25.4084 25.4084 26.2273 26.2273
27.3748 27.3748
k = 0.1429-0.0825 0.1166 ( 777 PWs) bands (ev):
-1.2351 -1.2351 0.4020 0.4020 0.4378 0.4378 1.1923 1.1923
1.2642 1.2642 1.3481 1.3481 12.0540 12.0540 13.3295 13.3295
13.4099 13.4099 17.6092 17.6092 25.3021 25.3021 25.9667 25.9667
27.2887 27.2887
k = 0.1500-0.0866 0.1225 ( 785 PWs) bands (ev):
-1.2060 -1.2060 0.4012 0.4012 0.4453 0.4453 1.1950 1.1950
1.2666 1.2666 1.3523 1.3523 11.9699 11.9699 13.2988 13.2988
13.3810 13.3810 17.7513 17.7513 25.1979 25.1979 25.7050 25.7050
27.2120 27.2120
k = 0.1571-0.0907 0.1283 ( 785 PWs) bands (ev):
-1.1776 -1.1776 0.4004 0.4004 0.4544 0.4544 1.1977 1.1977
1.2706 1.2706 1.3570 1.3570 11.8873 11.8873 13.2667 13.2667
13.3507 13.3507 17.8903 17.8903 25.0960 25.0960 25.4446 25.4446
27.1435 27.1435
k = 0.1643-0.0949 0.1341 ( 785 PWs) bands (ev):
-1.1503 -1.1503 0.3995 0.3995 0.4652 0.4652 1.2006 1.2006
1.2763 1.2763 1.3620 1.3620 11.8063 11.8063 13.2333 13.2333
13.3191 13.3191 18.0255 18.0255 24.9964 24.9964 25.1873 25.1873
27.0822 27.0822
k = 0.1714-0.0990 0.1400 ( 785 PWs) bands (ev):
-1.1243 -1.1243 0.3985 0.3985 0.4778 0.4778 1.2035 1.2035
1.2839 1.2839 1.3673 1.3673 11.7267 11.7267 13.1986 13.1986
13.2863 13.2863 18.1559 18.1559 24.8990 24.8990 24.9350 24.9350
27.0274 27.0274
k = 0.1786-0.1031 0.1458 ( 785 PWs) bands (ev):
-1.1001 -1.1001 0.3973 0.3973 0.4924 0.4924 1.2065 1.2065
1.2937 1.2937 1.3730 1.3730 11.6485 11.6485 13.1627 13.1627
13.2522 13.2522 18.2805 18.2805 24.6891 24.6891 24.8039 24.8039
26.9786 26.9786
k = 0.1857-0.1072 0.1516 ( 785 PWs) bands (ev):
-1.0780 -1.0780 0.3961 0.3961 0.5092 0.5092 1.2095 1.2095
1.3058 1.3058 1.3790 1.3790 11.5716 11.5716 13.1255 13.1255
13.2169 13.2169 18.3981 18.3981 24.4512 24.4512 24.7112 24.7112
26.9356 26.9356
k = 0.1929-0.1113 0.1575 ( 785 PWs) bands (ev):
-1.0582 -1.0582 0.3947 0.3947 0.5281 0.5281 1.2125 1.2125
1.3207 1.3207 1.3853 1.3853 11.4958 11.4958 13.0871 13.0871
13.1804 13.1804 18.5073 18.5073 24.2231 24.2231 24.6207 24.6207
26.8980 26.8980
k = 0.2000-0.1155 0.1633 ( 785 PWs) bands (ev):
-1.0410 -1.0410 0.3932 0.3932 0.5492 0.5492 1.2157 1.2157
1.3385 1.3385 1.3920 1.3920 11.4212 11.4212 13.0477 13.0477
13.1428 13.1428 18.6066 18.6066 24.0063 24.0063 24.5326 24.5326
26.8657 26.8657
k = 0.2071-0.1196 0.1691 ( 785 PWs) bands (ev):
-1.0265 -1.0265 0.3915 0.3915 0.5723 0.5723 1.2188 1.2188
1.3596 1.3596 1.3990 1.3990 11.3475 11.3475 13.0072 13.0072
13.1042 13.1042 18.6943 18.6943 23.8029 23.8029 24.4468 24.4468
26.8384 26.8384
k = 0.2143-0.1237 0.1750 ( 785 PWs) bands (ev):
-1.0150 -1.0150 0.3898 0.3898 0.5973 0.5973 1.2220 1.2220
1.3844 1.3844 1.4062 1.4062 11.2746 11.2746 12.9658 12.9658
13.0647 13.0647 18.7687 18.7687 23.6147 23.6147 24.3633 24.3633
26.8159 26.8159
k = 0.2214-0.1278 0.1808 ( 785 PWs) bands (ev):
-1.0065 -1.0065 0.3879 0.3879 0.6238 0.6238 1.2252 1.2252
1.4132 1.4132 1.4138 1.4138 11.2025 11.2025 12.9236 12.9236
13.0242 13.0242 18.8277 18.8277 23.4437 23.4437 24.2821 24.2821
26.7982 26.7982
k = 0.2286-0.1320 0.1866 ( 785 PWs) bands (ev):
-1.0009 -1.0009 0.3859 0.3859 0.6516 0.6516 1.2285 1.2285
1.4217 1.4217 1.4464 1.4464 11.1308 11.1308 12.8805 12.8805
12.9830 12.9830 18.8694 18.8694 23.2920 23.2920 24.2032 24.2032
26.7849 26.7849
k = 0.2357-0.1361 0.1925 ( 769 PWs) bands (ev):
-0.9983 -0.9983 0.3838 0.3838 0.6804 0.6804 1.2320 1.2320
1.4299 1.4299 1.4845 1.4845 11.0598 11.0598 12.8369 12.8369
12.9411 12.9411 18.8926 18.8926 23.1615 23.1615 24.1266 24.1266
26.7761 26.7761
k = 0.2429-0.1402 0.1983 ( 769 PWs) bands (ev):
-0.9986 -0.9986 0.3816 0.3816 0.7094 0.7094 1.2353 1.2353
1.4383 1.4383 1.5275 1.5275 10.9888 10.9888 12.7925 12.7925
12.8984 12.8984 18.8951 18.8951 23.0534 23.0534 24.0522 24.0522
26.7713 26.7713
k = 0.2500-0.1443 0.2041 ( 769 PWs) bands (ev):
-1.0015 -1.0015 0.3793 0.3793 0.7384 0.7384 1.2387 1.2387
1.4469 1.4469 1.5760 1.5760 10.9178 10.9178 12.7476 12.7476
12.8552 12.8552 18.8765 18.8765 22.9685 22.9685 23.9801 23.9801
26.7705 26.7705
k = 0.2571-0.1485 0.2100 ( 769 PWs) bands (ev):
-1.0070 -1.0070 0.3768 0.3768 0.7669 0.7669 1.2421 1.2421
1.4557 1.4557 1.6300 1.6300 10.8468 10.8468 12.7023 12.7023
12.8116 12.8116 18.8369 18.8369 22.9070 22.9070 23.9103 23.9103
26.7736 26.7736
k = 0.2643-0.1526 0.2158 ( 769 PWs) bands (ev):
-1.0148 -1.0148 0.3743 0.3743 0.7947 0.7947 1.2455 1.2455
1.4648 1.4648 1.6897 1.6897 10.7755 10.7755 12.6567 12.6567
12.7676 12.7676 18.7769 18.7769 22.8680 22.8680 23.8427 23.8427
26.7802 26.7802
k = 0.2714-0.1567 0.2216 ( 777 PWs) bands (ev):
-1.0248 -1.0248 0.3716 0.3716 0.8215 0.8215 1.2489 1.2489
1.4739 1.4739 1.7549 1.7549 10.7038 10.7038 12.6109 12.6109
12.7233 12.7233 18.6982 18.6982 22.8501 22.8501 23.7773 23.7773
26.7903 26.7903
k = 0.2786-0.1608 0.2275 ( 785 PWs) bands (ev):
-1.0365 -1.0365 0.3688 0.3688 0.8470 0.8470 1.2523 1.2523
1.4832 1.4832 1.8259 1.8259 10.6314 10.6314 12.5650 12.5650
12.6788 12.6788 18.6028 18.6028 22.8514 22.8514 23.7141 23.7141
26.8035 26.8035
k = 0.2857-0.1650 0.2333 ( 785 PWs) bands (ev):
-1.0499 -1.0499 0.3660 0.3660 0.8715 0.8715 1.2558 1.2558
1.4927 1.4927 1.9023 1.9023 10.5583 10.5583 12.5191 12.5191
12.6344 12.6344 18.4933 18.4933 22.8694 22.8694 23.6532 23.6532
26.8199 26.8199
k = 0.2929-0.1691 0.2391 ( 785 PWs) bands (ev):
-1.0647 -1.0647 0.3632 0.3632 0.8947 0.8947 1.2592 1.2592
1.5022 1.5022 1.9838 1.9838 10.4842 10.4842 12.4734 12.4734
12.5900 12.5900 18.3722 18.3722 22.9015 22.9015 23.5944 23.5944
26.8390 26.8390
k = 0.3000-0.1732 0.2449 ( 781 PWs) bands (ev):
-1.0807 -1.0807 0.3603 0.3603 0.9167 0.9167 1.2627 1.2627
1.5119 1.5119 2.0703 2.0703 10.4091 10.4091 12.4279 12.4279
12.5458 12.5458 18.2420 18.2420 22.9455 22.9455 23.5378 23.5378
26.8608 26.8608
k = 0.3071-0.1773 0.2508 ( 781 PWs) bands (ev):
-1.0977 -1.0977 0.3574 0.3574 0.9374 0.9374 1.2661 1.2661
1.5216 1.5216 2.1612 2.1612 10.3327 10.3327 12.3827 12.3827
12.5019 12.5019 18.1051 18.1051 22.9988 22.9988 23.4833 23.4833
26.8849 26.8849
k = 0.3143-0.1815 0.2566 ( 781 PWs) bands (ev):
-1.1154 -1.1154 0.3544 0.3544 0.9571 0.9571 1.2695 1.2695
1.5313 1.5313 2.2563 2.2563 10.2549 10.2549 12.3380 12.3380
12.4583 12.4583 17.9635 17.9635 23.0594 23.0594 23.4310 23.4310
26.9112 26.9112
k = 0.3214-0.1856 0.2624 ( 769 PWs) bands (ev):
-1.1338 -1.1338 0.3515 0.3515 0.9758 0.9758 1.2730 1.2730
1.5412 1.5412 2.3552 2.3552 10.1757 10.1757 12.2940 12.2940
12.4154 12.4154 17.8194 17.8194 23.1258 23.1258 23.3808 23.3808
26.9396 26.9396
k = 0.3286-0.1897 0.2683 ( 769 PWs) bands (ev):
-1.1526 -1.1526 0.3485 0.3485 0.9934 0.9934 1.2763 1.2763
1.5508 1.5508 2.4574 2.4574 10.0948 10.0948 12.2505 12.2505
12.3730 12.3730 17.6742 17.6742 23.1959 23.1959 23.3327 23.3327
26.9694 26.9694
k = 0.3357-0.1938 0.2741 ( 769 PWs) bands (ev):
-1.1717 -1.1717 0.3456 0.3456 1.0102 1.0102 1.2796 1.2796
1.5604 1.5604 2.5628 2.5628 10.0123 10.0123 12.2079 12.2079
12.3313 12.3313 17.5293 17.5293 23.2686 23.2686 23.2867 23.2867
27.0006 27.0006
k = 0.3429-0.1979 0.2799 ( 777 PWs) bands (ev):
-1.1909 -1.1909 0.3425 0.3425 1.0260 1.0260 1.2827 1.2827
1.5699 1.5699 2.6707 2.6707 9.9280 9.9280 12.1661 12.1661
12.2904 12.2904 17.3861 17.3861 23.2426 23.2426 23.3428 23.3428
27.0329 27.0329
k = 0.3500-0.2021 0.2858 ( 777 PWs) bands (ev):
-1.2100 -1.2100 0.3395 0.3395 1.0411 1.0411 1.2858 1.2858
1.5792 1.5792 2.7810 2.7810 9.8420 9.8420 12.1253 12.1253
12.2505 12.2505 17.2455 17.2455 23.2007 23.2007 23.4175 23.4175
27.0663 27.0663
k = 0.3571-0.2062 0.2916 ( 777 PWs) bands (ev):
-1.2291 -1.2291 0.3367 0.3367 1.0554 1.0554 1.2889 1.2889
1.5884 1.5884 2.8933 2.8933 9.7544 9.7544 12.0857 12.0857
12.2117 12.2117 17.1084 17.1084 23.1609 23.1609 23.4919 23.4919
27.1003 27.1003
k = 0.3643-0.2103 0.2974 ( 777 PWs) bands (ev):
-1.2478 -1.2478 0.3338 0.3338 1.0689 1.0689 1.2918 1.2918
1.5974 1.5974 3.0070 3.0070 9.6651 9.6651 12.0473 12.0473
12.1741 12.1741 16.9755 16.9755 23.1231 23.1231 23.5653 23.5653
27.1347 27.1347
k = 0.3714-0.2144 0.3033 ( 777 PWs) bands (ev):
-1.2662 -1.2662 0.3311 0.3311 1.0818 1.0818 1.2947 1.2947
1.6062 1.6062 3.1219 3.1219 9.5744 9.5744 12.0102 12.0102
12.1377 12.1377 16.8475 16.8475 23.0873 23.0873 23.6371 23.6371
27.1694 27.1694
k = 0.3786-0.2186 0.3091 ( 777 PWs) bands (ev):
-1.2841 -1.2841 0.3284 0.3284 1.0940 1.0940 1.2975 1.2975
1.6147 1.6147 3.2374 3.2374 9.4823 9.4823 11.9745 11.9745
12.1026 12.1026 16.7249 16.7249 23.0535 23.0535 23.7068 23.7068
27.2039 27.2039
k = 0.3857-0.2227 0.3149 ( 773 PWs) bands (ev):
-1.3014 -1.3014 0.3258 0.3258 1.1056 1.1056 1.3002 1.3002
1.6229 1.6229 3.3532 3.3532 9.3893 9.3893 11.9404 11.9404
12.0691 12.0691 16.6081 16.6081 23.0217 23.0217 23.7741 23.7741
27.2381 27.2381
k = 0.3929-0.2268 0.3208 ( 773 PWs) bands (ev):
-1.3180 -1.3180 0.3233 0.3233 1.1165 1.1165 1.3027 1.3027
1.6308 1.6308 3.4686 3.4686 9.2955 9.2955 11.9078 11.9078
12.0370 12.0370 16.4976 16.4976 22.9919 22.9919 23.8384 23.8384
27.2718 27.2718
k = 0.4000-0.2309 0.3266 ( 773 PWs) bands (ev):
-1.3339 -1.3339 0.3209 0.3209 1.1267 1.1267 1.3051 1.3051
1.6384 1.6384 3.5832 3.5832 9.2014 9.2014 11.8769 11.8769
12.0066 12.0066 16.3935 16.3935 22.9641 22.9641 23.8995 23.8995
27.3046 27.3046
k = 0.4071-0.2351 0.3324 ( 773 PWs) bands (ev):
-1.3490 -1.3490 0.3187 0.3187 1.1362 1.1362 1.3074 1.3074
1.6455 1.6455 3.6963 3.6963 9.1076 9.1076 11.8477 11.8477
11.9779 11.9779 16.2961 16.2961 22.9383 22.9383 23.9573 23.9573
27.3363 27.3363
k = 0.4143-0.2392 0.3383 ( 769 PWs) bands (ev):
-1.3632 -1.3632 0.3165 0.3165 1.1451 1.1451 1.3095 1.3095
1.6523 1.6523 3.8074 3.8074 9.0145 9.0145 11.8204 11.8204
11.9510 11.9510 16.2057 16.2057 22.9144 22.9144 24.0115 24.0115
27.3668 27.3668
k = 0.4214-0.2433 0.3441 ( 769 PWs) bands (ev):
-1.3765 -1.3765 0.3145 0.3145 1.1533 1.1533 1.3115 1.3115
1.6586 1.6586 3.9155 3.9155 8.9229 8.9229 11.7950 11.7950
11.9260 11.9260 16.1223 16.1223 22.8924 22.8924 24.0618 24.0618
27.3957 27.3957
k = 0.4286-0.2474 0.3499 ( 769 PWs) bands (ev):
-1.3888 -1.3888 0.3127 0.3127 1.1608 1.1608 1.3134 1.3134
1.6645 1.6645 4.0198 4.0198 8.8336 8.8336 11.7716 11.7716
11.9029 11.9029 16.0460 16.0460 22.8724 22.8724 24.1081 24.1081
27.4229 27.4229
k = 0.4357-0.2516 0.3558 ( 769 PWs) bands (ev):
-1.4001 -1.4001 0.3110 0.3110 1.1677 1.1677 1.3150 1.3150
1.6699 1.6699 4.1194 4.1194 8.7474 8.7474 11.7502 11.7502
11.8818 11.8818 15.9770 15.9770 22.8543 22.8543 24.1503 24.1503
27.4482 27.4482
k = 0.4429-0.2557 0.3616 ( 773 PWs) bands (ev):
-1.4103 -1.4103 0.3094 0.3094 1.1738 1.1738 1.3165 1.3165
1.6747 1.6747 4.2134 4.2134 8.6654 8.6654 11.7309 11.7309
11.8628 11.8628 15.9152 15.9152 22.8381 22.8381 24.1883 24.1883
27.4712 27.4712
k = 0.4500-0.2598 0.3674 ( 773 PWs) bands (ev):
-1.4194 -1.4194 0.3080 0.3080 1.1793 1.1793 1.3179 1.3179
1.6791 1.6791 4.3005 4.3005 8.5888 8.5888 11.7137 11.7137
11.8458 11.8458 15.8607 15.8607 22.8238 22.8238 24.2220 24.2220
27.4921 27.4921
k = 0.4571-0.2639 0.3733 ( 773 PWs) bands (ev):
-1.4273 -1.4273 0.3068 0.3068 1.1840 1.1840 1.3190 1.3190
1.6829 1.6829 4.3797 4.3797 8.5187 8.5187 11.6987 11.6987
11.8311 11.8311 15.8135 15.8135 22.8115 22.8115 24.2513 24.2513
27.5105 27.5105
k = 0.4643-0.2681 0.3791 ( 773 PWs) bands (ev):
-1.4341 -1.4341 0.3058 0.3058 1.1880 1.1880 1.3200 1.3200
1.6861 1.6861 4.4496 4.4496 8.4564 8.4564 11.6860 11.6860
11.8185 11.8185 15.7736 15.7736 22.8011 22.8011 24.2763 24.2763
27.5263 27.5263
k = 0.4714-0.2722 0.3849 ( 773 PWs) bands (ev):
-1.4397 -1.4397 0.3049 0.3049 1.1913 1.1913 1.3209 1.3209
1.6888 1.6888 4.5090 4.5090 8.4032 8.4032 11.6755 11.6755
11.8082 11.8082 15.7409 15.7409 22.7925 22.7925 24.2967 24.2967
27.5395 27.5395
k = 0.4786-0.2763 0.3908 ( 777 PWs) bands (ev):
-1.4440 -1.4440 0.3042 0.3042 1.1938 1.1938 1.3215 1.3215
1.6908 1.6908 4.5566 4.5566 8.3603 8.3603 11.6674 11.6674
11.8001 11.8001 15.7156 15.7156 22.7859 22.7859 24.3125 24.3125
27.5497 27.5497
k = 0.4857-0.2804 0.3966 ( 778 PWs) bands (ev):
-1.4471 -1.4471 0.3038 0.3038 1.1957 1.1957 1.3219 1.3219
1.6924 1.6924 4.5915 4.5915 8.3287 8.3287 11.6615 11.6615
11.7943 11.7943 15.6975 15.6975 22.7812 22.7812 24.3239 24.3239
27.5572 27.5572
k = 0.4929-0.2846 0.4024 ( 774 PWs) bands (ev):
-1.4490 -1.4490 0.3035 0.3035 1.1968 1.1968 1.3222 1.3222
1.6933 1.6933 4.6128 4.6128 8.3095 8.3095 11.6580 11.6580
11.7909 11.7909 15.6866 15.6866 22.7783 22.7783 24.3309 24.3309
27.5616 27.5616
k = 0.5000-0.2887 0.4082 ( 774 PWs) bands (ev):
-1.4496 -1.4496 0.3034 0.3034 1.1972 1.1972 1.3223 1.3223
1.6936 1.6936 4.6200 4.6200 8.3030 8.3030 11.6568 11.6568
11.7897 11.7897 15.6830 15.6830 22.7774 22.7774 24.3332 24.3332
27.5631 27.5631
k = 0.5000-0.2887 0.4082 ( 774 PWs) bands (ev):
-1.4496 -1.4496 0.3034 0.3034 1.1972 1.1972 1.3223 1.3223
1.6936 1.6936 4.6200 4.6200 8.3030 8.3030 11.6568 11.6568
11.7897 11.7897 15.6830 15.6830 22.7774 22.7774 24.3332 24.3332
27.5631 27.5631
k = 0.5000-0.2804 0.4141 ( 776 PWs) bands (ev):
-1.4490 -1.4490 0.3035 0.3035 1.1969 1.1969 1.3220 1.3220
1.6932 1.6932 4.6192 4.6192 8.3047 8.3047 11.6545 11.6545
11.7870 11.7870 15.6903 15.6903 22.7774 22.7774 24.3322 24.3322
27.5623 27.5623
k = 0.5000-0.2722 0.4199 ( 776 PWs) bands (ev):
-1.4470 -1.4470 0.3041 0.3041 1.1960 1.1960 1.3211 1.3211
1.6921 1.6921 4.6167 4.6167 8.3099 8.3099 11.6474 11.6474
11.7792 11.7792 15.7122 15.7122 22.7777 22.7777 24.3292 24.3292
27.5591 27.5591
k = 0.5000-0.2639 0.4257 ( 780 PWs) bands (ev):
-1.4438 -1.4438 0.3049 0.3049 1.1945 1.1945 1.3196 1.3196
1.6902 1.6902 4.6126 4.6126 8.3185 8.3185 11.6358 11.6358
11.7664 11.7664 15.7483 15.7483 22.7782 22.7782 24.3239 24.3239
27.5515 27.5515
k = 0.5000-0.2557 0.4316 ( 776 PWs) bands (ev):
-1.4393 -1.4393 0.3062 0.3062 1.1924 1.1924 1.3176 1.3176
1.6876 1.6876 4.6069 4.6069 8.3307 8.3307 11.6195 11.6195
11.7491 11.7491 15.7982 15.7982 22.7789 22.7789 24.3168 24.3168
27.5366 27.5366
k = 0.5000-0.2474 0.4374 ( 772 PWs) bands (ev):
-1.4335 -1.4335 0.3079 0.3079 1.1896 1.1896 1.3151 1.3151
1.6844 1.6844 4.5997 4.5997 8.3462 8.3462 11.5987 11.5987
11.7277 11.7277 15.8613 15.8613 22.7800 22.7800 24.3077 24.3077
27.5110 27.5110
k = 0.5000-0.2392 0.4432 ( 772 PWs) bands (ev):
-1.4265 -1.4265 0.3098 0.3098 1.1861 1.1861 1.3121 1.3121
1.6804 1.6804 4.5910 4.5910 8.3650 8.3650 11.5735 11.5735
11.7027 11.7027 15.9368 15.9368 22.7815 22.7815 24.2967 24.2967
27.4718 27.4718
k = 0.5000-0.2309 0.4491 ( 764 PWs) bands (ev):
-1.4183 -1.4183 0.3121 0.3121 1.1819 1.1819 1.3089 1.3089
1.6758 1.6758 4.5810 4.5810 8.3873 8.3873 11.5443 11.5443
11.6746 11.6746 16.0240 16.0240 22.7835 22.7835 24.2837 24.2837
27.4181 27.4181
k = 0.5000-0.2227 0.4549 ( 764 PWs) bands (ev):
-1.4090 -1.4090 0.3146 0.3146 1.1768 1.1768 1.3054 1.3054
1.6705 1.6705 4.5696 4.5696 8.4127 8.4127 11.5115 11.5115
11.6434 11.6434 16.1220 16.1220 22.7861 22.7861 24.2687 24.2687
27.3497 27.3497
k = 0.5000-0.2144 0.4607 ( 764 PWs) bands (ev):
-1.3985 -1.3985 0.3174 0.3174 1.1709 1.1709 1.3018 1.3018
1.6646 1.6646 4.5570 4.5570 8.4414 8.4414 11.4756 11.4756
11.6096 11.6096 16.2300 16.2300 22.7895 22.7895 24.2518 24.2518
27.2678 27.2678
k = 0.5000-0.2062 0.4666 ( 766 PWs) bands (ev):
-1.3871 -1.3871 0.3205 0.3205 1.1640 1.1640 1.2980 1.2980
1.6582 1.6582 4.5433 4.5433 8.4732 8.4732 11.4372 11.4372
11.5730 11.5730 16.3472 16.3472 22.7937 22.7937 24.2331 24.2331
27.1734 27.1734
k = 0.5000-0.1979 0.4724 ( 766 PWs) bands (ev):
-1.3746 -1.3746 0.3239 0.3239 1.1562 1.1562 1.2943 1.2943
1.6512 1.6512 4.5287 4.5287 8.5080 8.5080 11.3970 11.3970
11.5340 11.5340 16.4727 16.4727 22.7989 22.7989 24.2124 24.2124
27.0680 27.0680
k = 0.5000-0.1897 0.4782 ( 766 PWs) bands (ev):
-1.3612 -1.3612 0.3275 0.3275 1.1475 1.1475 1.2906 1.2906
1.6438 1.6438 4.5132 4.5132 8.5459 8.5459 11.3556 11.3556
11.4924 11.4924 16.6057 16.6057 22.8052 22.8052 24.1900 24.1900
26.9526 26.9526
k = 0.5000-0.1815 0.4841 ( 766 PWs) bands (ev):
-1.3470 -1.3470 0.3314 0.3314 1.1378 1.1378 1.2870 1.2870
1.6360 1.6360 4.4970 4.4970 8.5866 8.5866 11.3135 11.3135
11.4484 11.4484 16.7455 16.7455 22.8127 22.8127 24.1659 24.1659
26.8281 26.8281
k = 0.5000-0.1732 0.4899 ( 766 PWs) bands (ev):
-1.3321 -1.3321 0.3354 0.3354 1.1273 1.1273 1.2836 1.2836
1.6278 1.6278 4.4802 4.4802 8.6301 8.6301 11.2712 11.2712
11.4019 11.4019 16.8914 16.8914 22.8214 22.8214 24.1400 24.1400
26.6955 26.6955
k = 0.5000-0.1650 0.4957 ( 766 PWs) bands (ev):
-1.3165 -1.3165 0.3396 0.3396 1.1160 1.1160 1.2804 1.2804
1.6193 1.6193 4.4629 4.4629 8.6763 8.6763 11.2291 11.2291
11.3530 11.3530 17.0425 17.0425 22.8316 22.8316 24.1125 24.1125
26.5558 26.5558
k = 0.5000-0.1567 0.5016 ( 766 PWs) bands (ev):
-1.3003 -1.3003 0.3440 0.3440 1.1040 1.1040 1.2773 1.2773
1.6106 1.6106 4.4454 4.4454 8.7251 8.7251 11.1875 11.1875
11.3019 11.3019 17.1982 17.1982 22.8432 22.8432 24.0835 24.0835
26.4098 26.4098
k = 0.5000-0.1485 0.5074 ( 770 PWs) bands (ev):
-1.2837 -1.2837 0.3484 0.3484 1.0913 1.0913 1.2742 1.2742
1.6017 1.6017 4.4277 4.4277 8.7764 8.7764 11.1467 11.1467
11.2487 11.2487 17.3577 17.3577 22.8564 22.8564 24.0529 24.0529
26.2583 26.2583
k = 0.5000-0.1402 0.5132 ( 770 PWs) bands (ev):
-1.2668 -1.2668 0.3529 0.3529 1.0782 1.0782 1.2714 1.2714
1.5927 1.5927 4.4101 4.4101 8.8301 8.8301 11.1066 11.1066
11.1938 11.1938 17.5204 17.5204 22.8711 22.8711 24.0209 24.0209
26.1022 26.1022
k = 0.5000-0.1320 0.5191 ( 766 PWs) bands (ev):
-1.2496 -1.2496 0.3576 0.3576 1.0647 1.0647 1.2688 1.2688
1.5837 1.5837 4.3926 4.3926 8.8861 8.8861 11.0671 11.0671
11.1377 11.1377 17.6855 17.6855 22.8877 22.8877 23.9876 23.9876
25.9426 25.9426
k = 0.5000-0.1237 0.5249 ( 768 PWs) bands (ev):
-1.2324 -1.2324 0.3622 0.3622 1.0510 1.0510 1.2662 1.2662
1.5747 1.5747 4.3754 4.3754 8.9442 8.9442 11.0268 11.0268
11.0820 11.0820 17.8522 17.8522 22.9056 22.9056 23.9529 23.9529
25.7801 25.7801
k = 0.5000-0.1155 0.5307 ( 764 PWs) bands (ev):
-1.2153 -1.2153 0.3668 0.3668 1.0372 1.0372 1.2638 1.2638
1.5660 1.5660 4.3586 4.3586 9.0043 9.0043 10.9822 10.9822
11.0306 11.0306 18.0197 18.0197 22.9252 22.9252 23.9171 23.9171
25.6160 25.6160
k = 0.5000-0.1072 0.5366 ( 768 PWs) bands (ev):
-1.1983 -1.1983 0.3712 0.3712 1.0234 1.0234 1.2614 1.2614
1.5573 1.5573 4.3423 4.3423 9.0663 9.0663 10.9289 10.9289
10.9880 10.9880 18.1869 18.1869 22.9464 22.9464 23.8801 23.8801
25.4512 25.4512
k = 0.5000-0.0990 0.5424 ( 768 PWs) bands (ev):
-1.1818 -1.1818 0.3756 0.3756 1.0098 1.0098 1.2591 1.2591
1.5490 1.5490 4.3268 4.3268 9.1302 9.1302 10.8681 10.8681
10.9533 10.9533 18.3530 18.3530 22.9692 22.9692 23.8422 23.8422
25.2870 25.2870
k = 0.5000-0.0907 0.5482 ( 768 PWs) bands (ev):
-1.1657 -1.1657 0.3798 0.3798 0.9966 0.9966 1.2569 1.2569
1.5411 1.5411 4.3120 4.3120 9.1956 9.1956 10.8032 10.8032
10.9234 10.9234 18.5168 18.5168 22.9935 22.9935 23.8034 23.8034
25.1247 25.1247
k = 0.5000-0.0825 0.5541 ( 768 PWs) bands (ev):
-1.1504 -1.1504 0.3838 0.3838 0.9839 0.9839 1.2548 1.2548
1.5336 1.5336 4.2981 4.2981 9.2626 9.2626 10.7358 10.7358
10.8968 10.8968 18.6769 18.6769 23.0192 23.0192 23.7637 23.7637
24.9658 24.9658
k = 0.5000-0.0742 0.5599 ( 764 PWs) bands (ev):
-1.1358 -1.1358 0.3876 0.3876 0.9719 0.9719 1.2529 1.2529
1.5267 1.5267 4.2853 4.2853 9.3309 9.3309 10.6668 10.6668
10.8730 10.8730 18.8321 18.8321 23.0466 23.0466 23.7234 23.7234
24.8119 24.8119
k = 0.5000-0.0660 0.5657 ( 760 PWs) bands (ev):
-1.1223 -1.1223 0.3911 0.3911 0.9607 0.9607 1.2510 1.2510
1.5203 1.5203 4.2736 4.2736 9.4006 9.4006 10.5963 10.5963
10.8519 10.8519 18.9805 18.9805 23.0749 23.0749 23.6826 23.6826
24.6649 24.6649
k = 0.5000-0.0577 0.5715 ( 760 PWs) bands (ev):
-1.1099 -1.1099 0.3943 0.3943 0.9504 0.9504 1.2493 1.2493
1.5145 1.5145 4.2630 4.2630 9.4711 9.4711 10.5248 10.5248
10.8333 10.8333 19.1202 19.1202 23.1043 23.1043 23.6413 23.6413
24.5268 24.5268
k = 0.5000-0.0495 0.5774 ( 760 PWs) bands (ev):
-1.0989 -1.0989 0.3971 0.3971 0.9412 0.9412 1.2477 1.2477
1.5094 1.5094 4.2537 4.2537 9.5426 9.5426 10.4524 10.4524
10.8171 10.8171 19.2489 19.2489 23.1345 23.1345 23.6000 23.6000
24.3998 24.3998
k = 0.5000-0.0412 0.5832 ( 760 PWs) bands (ev):
-1.0893 -1.0893 0.3995 0.3995 0.9331 0.9331 1.2463 1.2463
1.5050 1.5050 4.2457 4.2457 9.6146 9.6146 10.3796 10.3796
10.8035 10.8035 19.3644 19.3644 23.1652 23.1652 23.5590 23.5590
24.2866 24.2866
k = 0.5000-0.0330 0.5890 ( 760 PWs) bands (ev):
-1.0812 -1.0812 0.4015 0.4015 0.9264 0.9264 1.2452 1.2452
1.5013 1.5013 4.2391 4.2391 9.6869 9.6869 10.3066 10.3066
10.7923 10.7923 19.4640 19.4640 23.1961 23.1961 23.5190 23.5190
24.1895 24.1895
k = 0.5000-0.0247 0.5949 ( 764 PWs) bands (ev):
-1.0748 -1.0748 0.4031 0.4031 0.9210 0.9210 1.2442 1.2442
1.4984 1.4984 4.2339 4.2339 9.7587 9.7587 10.2342 10.2342
10.7837 10.7837 19.5451 19.5451 23.2264 23.2264 23.4808 23.4808
24.1109 24.1109
k = 0.5000-0.0165 0.6007 ( 772 PWs) bands (ev):
-1.0702 -1.0702 0.4041 0.4041 0.9171 0.9171 1.2434 1.2434
1.4963 1.4963 4.2302 4.2302 9.8286 9.8286 10.1638 10.1638
10.7773 10.7773 19.6049 19.6049 23.2548 23.2548 23.4463 23.4463
24.0529 24.0529
k = 0.5000-0.0082 0.6065 ( 772 PWs) bands (ev):
-1.0674 -1.0674 0.4048 0.4048 0.9147 0.9147 1.2430 1.2430
1.4951 1.4951 4.2280 4.2280 9.8915 9.8915 10.1007 10.1007
10.7736 10.7736 19.6418 19.6418 23.2778 23.2778 23.4194 23.4194
24.0174 24.0174
k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev):
-1.0665 -1.0665 0.4050 0.4050 0.9140 0.9140 1.2428 1.2428
1.4947 1.4947 4.2272 4.2272 9.9238 9.9238 10.0683 10.0683
10.7724 10.7724 19.6543 19.6543 23.2876 23.2876 23.4083 23.4083
24.0055 24.0055
k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev):
-1.0665 -1.0665 0.4050 0.4050 0.9140 0.9140 1.2428 1.2428
1.4947 1.4947 4.2272 4.2272 9.9238 9.9238 10.0683 10.0683
10.7724 10.7724 19.6543 19.6543 23.2876 23.2876 23.4083 23.4083
24.0055 24.0055
k = 0.4950 0.0087 0.6124 ( 772 PWs) bands (ev):
-1.0666 -1.0666 0.4049 0.4049 0.9143 0.9143 1.2429 1.2429
1.4947 1.4947 4.2261 4.2261 9.9059 9.9059 10.0796 10.0796
10.7826 10.7826 19.6487 19.6487 23.2737 23.2737 23.4122 23.4122
24.0216 24.0216
k = 0.4900 0.0173 0.6124 ( 772 PWs) bands (ev):
-1.0668 -1.0668 0.4044 0.4044 0.9152 0.9152 1.2430 1.2430
1.4949 1.4949 4.2229 4.2229 9.8686 9.8686 10.0955 10.0955
10.8146 10.8146 19.6316 19.6316 23.2332 23.2332 23.4268 23.4268
24.0659 24.0659
k = 0.4850 0.0260 0.6124 ( 766 PWs) bands (ev):
-1.0672 -1.0672 0.4037 0.4037 0.9168 0.9168 1.2431 1.2431
1.4953 1.4953 4.2180 4.2180 9.8258 9.8258 10.1019 10.1019
10.8686 10.8686 19.6032 19.6032 23.1766 23.1766 23.4484 23.4484
24.1321 24.1321
k = 0.4800 0.0346 0.6124 ( 764 PWs) bands (ev):
-1.0679 -1.0679 0.4027 0.4027 0.9191 0.9191 1.2432 1.2432
1.4958 1.4958 4.2114 4.2114 9.7819 9.7819 10.0967 10.0967
10.9415 10.9415 19.5634 19.5634 23.1132 23.1132 23.4727 23.4727
24.2147 24.2147
k = 0.4750 0.0433 0.6124 ( 763 PWs) bands (ev):
-1.0686 -1.0686 0.4014 0.4014 0.9221 0.9221 1.2431 1.2431
1.4965 1.4965 4.2034 4.2034 9.7384 9.7384 10.0823 10.0823
11.0292 11.0292 19.5128 19.5128 23.0486 23.0486 23.4979 23.4979
24.3100 24.3100
k = 0.4700 0.0520 0.6124 ( 763 PWs) bands (ev):
-1.0695 -1.0695 0.3998 0.3998 0.9257 0.9257 1.2429 1.2429
1.4974 1.4974 4.1943 4.1943 9.6961 9.6961 10.0616 10.0616
11.1277 11.1277 19.4520 19.4520 22.9856 22.9856 23.5231 23.5231
24.4153 24.4153
k = 0.4650 0.0606 0.6124 ( 763 PWs) bands (ev):
-1.0706 -1.0706 0.3980 0.3980 0.9300 0.9300 1.2424 1.2424
1.4984 1.4984 4.1842 4.1842 9.6551 9.6551 10.0370 10.0370
11.2340 11.2340 19.3819 19.3819 22.9259 22.9259 23.5480 23.5480
24.5289 24.5289
k = 0.4600 0.0693 0.6124 ( 766 PWs) bands (ev):
-1.0718 -1.0718 0.3960 0.3960 0.9348 0.9348 1.2416 1.2416
1.4997 1.4997 4.1734 4.1734 9.6158 9.6158 10.0102 10.0102
11.3454 11.3454 19.3033 19.3033 22.8703 22.8703 23.5721 23.5721
24.6494 24.6494
k = 0.4550 0.0779 0.6124 ( 766 PWs) bands (ev):
-1.0731 -1.0731 0.3939 0.3939 0.9403 0.9403 1.2405 1.2405
1.5011 1.5011 4.1621 4.1621 9.5784 9.5784 9.9826 9.9826
11.4602 11.4602 19.2177 19.2177 22.8193 22.8193 23.5955 23.5955
24.7755 24.7755
k = 0.4500 0.0866 0.6124 ( 766 PWs) bands (ev):
-1.0744 -1.0744 0.3916 0.3916 0.9463 0.9463 1.2391 1.2391
1.5028 1.5028 4.1504 4.1504 9.5428 9.5428 9.9549 9.9549
11.5768 11.5768 19.1261 19.1261 22.7728 22.7728 23.6179 23.6179
24.9063 24.9063
k = 0.4450 0.0953 0.6124 ( 766 PWs) bands (ev):
-1.0758 -1.0758 0.3893 0.3893 0.9528 0.9528 1.2373 1.2373
1.5046 1.5046 4.1385 4.1385 9.5091 9.5091 9.9278 9.9278
11.6940 11.6940 19.0300 19.0300 22.7309 22.7309 23.6393 23.6393
25.0408 25.0408
k = 0.4400 0.1039 0.6124 ( 766 PWs) bands (ev):
-1.0773 -1.0773 0.3869 0.3869 0.9597 0.9597 1.2351 1.2351
1.5066 1.5066 4.1266 4.1266 9.4776 9.4776 9.9017 9.9017
11.8105 11.8105 18.9308 18.9308 22.6932 22.6932 23.6596 23.6596
25.1780 25.1780
k = 0.4350 0.1126 0.6124 ( 766 PWs) bands (ev):
-1.0787 -1.0787 0.3845 0.3845 0.9669 0.9669 1.2325 1.2325
1.5086 1.5086 4.1149 4.1149 9.4481 9.4481 9.8769 9.8769
11.9254 11.9254 18.8299 18.8299 22.6597 22.6597 23.6786 23.6786
25.3169 25.3169
k = 0.4300 0.1212 0.6124 ( 766 PWs) bands (ev):
-1.0802 -1.0802 0.3821 0.3821 0.9743 0.9743 1.2296 1.2296
1.5108 1.5108 4.1036 4.1036 9.4208 9.4208 9.8536 9.8536
12.0374 12.0374 18.7289 18.7289 22.6300 22.6300 23.6963 23.6963
25.4566 25.4566
k = 0.4250 0.1299 0.6124 ( 770 PWs) bands (ev):
-1.0816 -1.0816 0.3797 0.3797 0.9819 0.9819 1.2263 1.2263
1.5130 1.5130 4.0927 4.0927 9.3958 9.3958 9.8320 9.8320
12.1454 12.1454 18.6292 18.6292 22.6038 22.6038 23.7128 23.7128
25.5957 25.5957
k = 0.4200 0.1386 0.6124 ( 768 PWs) bands (ev):
-1.0830 -1.0830 0.3776 0.3776 0.9895 0.9895 1.2228 1.2228
1.5151 1.5151 4.0824 4.0824 9.3730 9.3730 9.8123 9.8123
12.2484 12.2484 18.5325 18.5325 22.5809 22.5809 23.7278 23.7278
25.7332 25.7332
k = 0.4150 0.1472 0.6124 ( 768 PWs) bands (ev):
-1.0843 -1.0843 0.3755 0.3755 0.9969 0.9969 1.2191 1.2191
1.5173 1.5173 4.0728 4.0728 9.3525 9.3525 9.7944 9.7944
12.3452 12.3452 18.4403 18.4403 22.5610 22.5610 23.7414 23.7414
25.8675 25.8675
k = 0.4100 0.1559 0.6124 ( 768 PWs) bands (ev):
-1.0855 -1.0855 0.3736 0.3736 1.0042 1.0042 1.2153 1.2153
1.5193 1.5193 4.0641 4.0641 9.3343 9.3343 9.7785 9.7785
12.4346 12.4346 18.3542 18.3542 22.5440 22.5440 23.7535 23.7535
25.9968 25.9968
k = 0.4050 0.1645 0.6124 ( 768 PWs) bands (ev):
-1.0865 -1.0865 0.3719 0.3719 1.0110 1.0110 1.2115 1.2115
1.5211 1.5211 4.0563 4.0563 9.3185 9.3185 9.7646 9.7646
12.5154 12.5154 18.2756 18.2756 22.5296 22.5296 23.7640 23.7640
26.1190 26.1190
k = 0.4000 0.1732 0.6124 ( 766 PWs) bands (ev):
-1.0875 -1.0875 0.3705 0.3705 1.0172 1.0172 1.2080 1.2080
1.5227 1.5227 4.0496 4.0496 9.3051 9.3051 9.7528 9.7528
12.5864 12.5864 18.2061 18.2061 22.5177 22.5177 23.7730 23.7730
26.2316 26.2316
k = 0.3950 0.1819 0.6124 ( 766 PWs) bands (ev):
-1.0883 -1.0883 0.3693 0.3693 1.0227 1.0227 1.2047 1.2047
1.5241 1.5241 4.0440 4.0440 9.2941 9.2941 9.7431 9.7431
12.6464 12.6464 18.1469 18.1469 22.5082 22.5082 23.7804 23.7804
26.3313 26.3313
k = 0.3900 0.1905 0.6124 ( 762 PWs) bands (ev):
-1.0888 -1.0888 0.3683 0.3683 1.0273 1.0273 1.2019 1.2019
1.5253 1.5253 4.0396 4.0396 9.2855 9.2855 9.7356 9.7356
12.6943 12.6943 18.0995 18.0995 22.5008 22.5008 23.7863 23.7863
26.4148 26.4148
k = 0.3850 0.1992 0.6124 ( 764 PWs) bands (ev):
-1.0893 -1.0893 0.3676 0.3676 1.0306 1.0306 1.1997 1.1997
1.5261 1.5261 4.0364 4.0364 9.2794 9.2794 9.7302 9.7302
12.7292 12.7292 18.0648 18.0648 22.4957 22.4957 23.7905 23.7905
26.4781 26.4781
k = 0.3800 0.2078 0.6124 ( 762 PWs) bands (ev):
-1.0896 -1.0896 0.3672 0.3672 1.0328 1.0328 1.1984 1.1984
1.5266 1.5266 4.0345 4.0345 9.2757 9.2757 9.7269 9.7269
12.7505 12.7505 18.0437 18.0437 22.4926 22.4926 23.7930 23.7930
26.5178 26.5178
k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.3699 0.2136 0.6041 ( 762 PWs) bands (ev):
-1.0634 -1.0634 0.3690 0.3690 1.0219 1.0219 1.1917 1.1917
1.5170 1.5170 3.9802 3.9802 9.3462 9.3462 9.6503 9.6503
12.8321 12.8321 18.1531 18.1531 22.4492 22.4492 23.7564 23.7564
26.4484 26.4484
k = 0.3649 0.2107 0.5958 ( 762 PWs) bands (ev):
-1.0366 -1.0366 0.3706 0.3706 1.0102 1.0102 1.1856 1.1856
1.5073 1.5073 3.9240 3.9240 9.4167 9.4167 9.5822 9.5822
12.9077 12.9077 18.2685 18.2685 22.4038 22.4038 23.7187 23.7187
26.3647 26.3647
k = 0.3598 0.2077 0.5875 ( 770 PWs) bands (ev):
-1.0094 -1.0094 0.3717 0.3717 0.9984 0.9984 1.1796 1.1796
1.4976 1.4976 3.8652 3.8652 9.4642 9.4642 9.5433 9.5433
12.9844 12.9844 18.3827 18.3827 22.3555 22.3555 23.6806 23.6806
26.2805 26.2805
k = 0.3547 0.2048 0.5793 ( 774 PWs) bands (ev):
-0.9819 -0.9819 0.3726 0.3726 0.9864 0.9864 1.1740 1.1740
1.4880 1.4880 3.8040 3.8040 9.4297 9.4297 9.5929 9.5929
13.0619 13.0619 18.4960 18.4960 22.3044 22.3044 23.6424 23.6424
26.1963 26.1963
k = 0.3497 0.2019 0.5710 ( 774 PWs) bands (ev):
-0.9540 -0.9540 0.3732 0.3732 0.9745 0.9745 1.1686 1.1686
1.4785 1.4785 3.7405 3.7405 9.3756 9.3756 9.6686 9.6686
13.1401 13.1401 18.6082 18.6082 22.2508 22.2508 23.6044 23.6044
26.1125 26.1125
k = 0.3446 0.1990 0.5627 ( 778 PWs) bands (ev):
-0.9260 -0.9260 0.3733 0.3733 0.9625 0.9625 1.1635 1.1635
1.4692 1.4692 3.6747 3.6747 9.3233 9.3233 9.7488 9.7488
13.2186 13.2186 18.7194 18.7194 22.1946 22.1946 23.5666 23.5666
26.0292 26.0292
k = 0.3395 0.1960 0.5544 ( 776 PWs) bands (ev):
-0.8978 -0.8978 0.3732 0.3732 0.9505 0.9505 1.1586 1.1586
1.4600 1.4600 3.6068 3.6068 9.2752 9.2752 9.8313 9.8313
13.2973 13.2973 18.8298 18.8298 22.1366 22.1366 23.5291 23.5291
25.9470 25.9470
k = 0.3345 0.1931 0.5462 ( 776 PWs) bands (ev):
-0.8695 -0.8695 0.3728 0.3728 0.9385 0.9385 1.1539 1.1539
1.4509 1.4509 3.5369 3.5369 9.2316 9.2316 9.9154 9.9154
13.3761 13.3761 18.9392 18.9392 22.0764 22.0764 23.4921 23.4921
25.8661 25.8661
k = 0.3294 0.1902 0.5379 ( 776 PWs) bands (ev):
-0.8413 -0.8413 0.3720 0.3720 0.9265 0.9265 1.1495 1.1495
1.4419 1.4419 3.4651 3.4651 9.1930 9.1930 10.0009 10.0009
13.4545 13.4545 19.0479 19.0479 22.0144 22.0144 23.4558 23.4558
25.7868 25.7868
k = 0.3243 0.1872 0.5296 ( 776 PWs) bands (ev):
-0.8132 -0.8132 0.3709 0.3709 0.9145 0.9145 1.1453 1.1453
1.4331 1.4331 3.3918 3.3918 9.1592 9.1592 10.0876 10.0876
13.5324 13.5324 19.1558 19.1558 21.9509 21.9509 23.4202 23.4202
25.7096 25.7096
k = 0.3193 0.1843 0.5213 ( 780 PWs) bands (ev):
-0.7853 -0.7853 0.3696 0.3696 0.9024 0.9024 1.1412 1.1412
1.4244 1.4244 3.3169 3.3169 9.1304 9.1304 10.1753 10.1753
13.6096 13.6096 19.2628 19.2628 21.8862 21.8862 23.3856 23.3856
25.6348 25.6348
k = 0.3142 0.1814 0.5131 ( 780 PWs) bands (ev):
-0.7577 -0.7577 0.3681 0.3681 0.8904 0.8904 1.1374 1.1374
1.4159 1.4159 3.2409 3.2409 9.1065 9.1065 10.2639 10.2639
13.6858 13.6858 19.3691 19.3691 21.8206 21.8206 23.3520 23.3520
25.5628 25.5628
k = 0.3091 0.1785 0.5048 ( 776 PWs) bands (ev):
-0.7304 -0.7304 0.3664 0.3664 0.8784 0.8784 1.1338 1.1338
1.4075 1.4075 3.1638 3.1638 9.0876 9.0876 10.3533 10.3533
13.7608 13.7608 19.4745 19.4745 21.7546 21.7546 23.3197 23.3197
25.4938 25.4938
k = 0.3041 0.1755 0.4965 ( 776 PWs) bands (ev):
-0.7036 -0.7036 0.3646 0.3646 0.8663 0.8663 1.1302 1.1302
1.3993 1.3993 3.0860 3.0860 9.0735 9.0735 10.4434 10.4434
13.8342 13.8342 19.5788 19.5788 21.6884 21.6884 23.2888 23.2888
25.4282 25.4282
k = 0.2990 0.1726 0.4882 ( 776 PWs) bands (ev):
-0.6775 -0.6775 0.3626 0.3626 0.8541 0.8541 1.1267 1.1267
1.3912 1.3912 3.0076 3.0076 9.0642 9.0642 10.5341 10.5341
13.9058 13.9058 19.6818 19.6818 21.6226 21.6226 23.2595 23.2595
25.3665 25.3665
k = 0.2939 0.1697 0.4800 ( 776 PWs) bands (ev):
-0.6520 -0.6520 0.3605 0.3605 0.8419 0.8419 1.1234 1.1234
1.3833 1.3833 2.9289 2.9289 9.0597 9.0597 10.6252 10.6252
13.9755 13.9755 19.7828 19.7828 21.5581 21.5581 23.2319 23.2319
25.3090 25.3090
k = 0.2889 0.1668 0.4717 ( 776 PWs) bands (ev):
-0.6273 -0.6273 0.3584 0.3584 0.8295 0.8295 1.1201 1.1201
1.3755 1.3755 2.8502 2.8502 9.0598 9.0598 10.7167 10.7167
14.0428 14.0428 19.8813 19.8813 21.4959 21.4959 23.2062 23.2062
25.2559 25.2559
k = 0.2838 0.1638 0.4634 ( 776 PWs) bands (ev):
-0.6036 -0.6036 0.3562 0.3562 0.8170 0.8170 1.1169 1.1169
1.3678 1.3678 2.7718 2.7718 9.0645 9.0645 10.8083 10.8083
14.1076 14.1076 19.9759 19.9759 21.4372 21.4372 23.1825 23.1825
25.2077 25.2077
k = 0.2787 0.1609 0.4551 ( 776 PWs) bands (ev):
-0.5809 -0.5809 0.3541 0.3541 0.8043 0.8043 1.1138 1.1138
1.3603 1.3603 2.6939 2.6939 9.0737 9.0737 10.9001 10.9001
14.1697 14.1697 20.0649 20.0649 21.3842 21.3842 23.1611 23.1611
25.1647 25.1647
k = 0.2736 0.1580 0.4469 ( 776 PWs) bands (ev):
-0.5594 -0.5594 0.3521 0.3521 0.7913 0.7913 1.1107 1.1107
1.3530 1.3530 2.6168 2.6168 9.0874 9.0874 10.9918 10.9918
14.2287 14.2287 20.1459 20.1459 21.3395 21.3395 23.1421 23.1421
25.1272 25.1272
k = 0.2686 0.1551 0.4386 ( 776 PWs) bands (ev):
-0.5392 -0.5392 0.3501 0.3501 0.7780 0.7780 1.1078 1.1078
1.3458 1.3458 2.5408 2.5408 9.1053 9.1053 11.0834 11.0834
14.2845 14.2845 20.2152 20.2152 21.3069 21.3069 23.1256 23.1256
25.0955 25.0955
k = 0.2635 0.1521 0.4303 ( 776 PWs) bands (ev):
-0.5205 -0.5205 0.3483 0.3483 0.7643 0.7643 1.1050 1.1050
1.3387 1.3387 2.4662 2.4662 9.1275 9.1275 11.1747 11.1747
14.3368 14.3368 20.2685 20.2685 21.2909 21.2909 23.1119 23.1119
25.0699 25.0699
k = 0.2584 0.1492 0.4220 ( 784 PWs) bands (ev):
-0.5035 -0.5035 0.3465 0.3465 0.7501 0.7501 1.1023 1.1023
1.3317 1.3317 2.3931 2.3931 9.1539 9.1539 11.2657 11.2657
14.3853 14.3853 20.3014 20.3014 21.2959 21.2959 23.1007 23.1007
25.0507 25.0507
k = 0.2534 0.1463 0.4138 ( 784 PWs) bands (ev):
-0.4883 -0.4883 0.3450 0.3450 0.7356 0.7356 1.0999 1.0999
1.3248 1.3248 2.3220 2.3220 9.1843 9.1843 11.3561 11.3561
14.4301 14.4301 20.3114 20.3114 21.3248 21.3248 23.0930 23.0930
25.0382 25.0382
k = 0.2483 0.1434 0.4055 ( 784 PWs) bands (ev):
-0.4751 -0.4751 0.3437 0.3437 0.7206 0.7206 1.0977 1.0977
1.3182 1.3182 2.2531 2.2531 9.2187 9.2187 11.4459 11.4459
14.4709 14.4709 20.2987 20.2987 21.3774 21.3774 23.0884 23.0884
25.0325 25.0325
k = 0.2432 0.1404 0.3972 ( 784 PWs) bands (ev):
-0.4640 -0.4640 0.3426 0.3426 0.7051 0.7051 1.0958 1.0958
1.3116 1.3116 2.1865 2.1865 9.2571 9.2571 11.5350 11.5350
14.5076 14.5076 20.2662 20.2662 21.4507 21.4507 23.0873 23.0873
25.0339 25.0339
k = 0.2382 0.1375 0.3889 ( 780 PWs) bands (ev):
-0.4553 -0.4553 0.3418 0.3418 0.6892 0.6892 1.0943 1.0943
1.3053 1.3053 2.1225 2.1225 9.2993 9.2993 11.6232 11.6232
14.5400 14.5400 20.2180 20.2180 21.5411 21.5411 23.0898 23.0898
25.0426 25.0426
k = 0.2331 0.1346 0.3807 ( 780 PWs) bands (ev):
-0.4492 -0.4492 0.3412 0.3412 0.6727 0.6727 1.0931 1.0931
1.2990 1.2990 2.0613 2.0613 9.3452 9.3452 11.7105 11.7105
14.5681 14.5681 20.1577 20.1577 21.6446 21.6446 23.0960 23.0960
25.0587 25.0587
k = 0.2280 0.1317 0.3724 ( 784 PWs) bands (ev):
-0.4458 -0.4458 0.3409 0.3409 0.6560 0.6560 1.0924 1.0924
1.2929 1.2929 2.0029 2.0029 9.3947 9.3947 11.7966 11.7966
14.5917 14.5917 20.0884 20.0884 21.7583 21.7583 23.1062 23.1062
25.0823 25.0823
k = 0.2230 0.1287 0.3641 ( 784 PWs) bands (ev):
-0.4454 -0.4454 0.3409 0.3409 0.6390 0.6390 1.0921 1.0921
1.2869 1.2869 1.9476 1.9476 9.4479 9.4479 11.8815 11.8815
14.6110 14.6110 20.0122 20.0122 21.8803 21.8803 23.1205 23.1205
25.1135 25.1135
k = 0.2179 0.1258 0.3558 ( 784 PWs) bands (ev):
-0.4481 -0.4481 0.3411 0.3411 0.6218 0.6218 1.0924 1.0924
1.2811 1.2811 1.8955 1.8955 9.5046 9.5046 11.9651 11.9651
14.6258 14.6258 19.9306 19.9306 22.0089 22.0089 23.1391 23.1391
25.1524 25.1524
k = 0.2128 0.1229 0.3476 ( 784 PWs) bands (ev):
-0.4542 -0.4542 0.3417 0.3417 0.6048 0.6048 1.0933 1.0933
1.2754 1.2754 1.8465 1.8465 9.5648 9.5648 12.0472 12.0472
14.6363 14.6363 19.8447 19.8447 22.1431 22.1431 23.1622 23.1622
25.1990 25.1990
k = 0.2078 0.1200 0.3393 ( 784 PWs) bands (ev):
-0.4636 -0.4636 0.3426 0.3426 0.5880 0.5880 1.0947 1.0947
1.2700 1.2700 1.8006 1.8006 9.6283 9.6283 12.1278 12.1278
14.6424 14.6424 19.7551 19.7551 22.2820 22.2820 23.1901 23.1901
25.2533 25.2533
k = 0.2027 0.1170 0.3310 ( 784 PWs) bands (ev):
-0.4765 -0.4765 0.3437 0.3437 0.5716 0.5716 1.0967 1.0967
1.2646 1.2646 1.7578 1.7578 9.6951 9.6951 12.2068 12.2068
14.6443 14.6443 19.6624 19.6624 22.4250 22.4250 23.2229 23.2229
25.3152 25.3152
k = 0.1976 0.1141 0.3227 ( 784 PWs) bands (ev):
-0.4929 -0.4929 0.3452 0.3452 0.5558 0.5558 1.0993 1.0993
1.2595 1.2595 1.7181 1.7181 9.7652 9.7652 12.2840 12.2840
14.6421 14.6421 19.5670 19.5670 22.5715 22.5715 23.2611 23.2611
25.3846 25.3846
k = 0.1926 0.1112 0.3145 ( 775 PWs) bands (ev):
-0.5127 -0.5127 0.3470 0.3470 0.5409 0.5409 1.1025 1.1025
1.2547 1.2547 1.6812 1.6812 9.8384 9.8384 12.3595 12.3595
14.6361 14.6361 19.4692 19.4692 22.7206 22.7206 23.3053 23.3053
25.4615 25.4615
k = 0.1875 0.1083 0.3062 ( 775 PWs) bands (ev):
-0.5360 -0.5360 0.3490 0.3490 0.5268 0.5268 1.1063 1.1063
1.2499 1.2499 1.6471 1.6471 9.9147 9.9147 12.4330 12.4330
14.6262 14.6262 19.3690 19.3690 22.8714 22.8714 23.3563 23.3563
25.5457 25.5457
k = 0.1824 0.1053 0.2979 ( 775 PWs) bands (ev):
-0.5625 -0.5625 0.3512 0.3512 0.5138 0.5138 1.1105 1.1105
1.2454 1.2454 1.6155 1.6155 9.9941 9.9941 12.5045 12.5045
14.6127 14.6127 19.2668 19.2668 23.0223 23.0223 23.4157 23.4157
25.6370 25.6370
k = 0.1774 0.1024 0.2896 ( 775 PWs) bands (ev):
-0.5920 -0.5920 0.3536 0.3536 0.5018 0.5018 1.1153 1.1153
1.2410 1.2410 1.5864 1.5864 10.0764 10.0764 12.5739 12.5739
14.5958 14.5958 19.1625 19.1625 23.1702 23.1702 23.4864 23.4864
25.7353 25.7353
k = 0.1723 0.0995 0.2814 ( 775 PWs) bands (ev):
-0.6242 -0.6242 0.3561 0.3561 0.4909 0.4909 1.1206 1.1206
1.2368 1.2368 1.5595 1.5595 10.1615 10.1615 12.6412 12.6412
14.5758 14.5758 19.0563 19.0563 23.3096 23.3096 23.5737 23.5737
25.8403 25.8403
k = 0.1672 0.0966 0.2731 ( 779 PWs) bands (ev):
-0.6588 -0.6588 0.3588 0.3588 0.4811 0.4811 1.1263 1.1263
1.2328 1.2328 1.5348 1.5348 10.2495 10.2495 12.7062 12.7062
14.5528 14.5528 18.9483 18.9483 23.4336 23.4336 23.6846 23.6846
25.9519 25.9519
k = 0.1622 0.0936 0.2648 ( 781 PWs) bands (ev):
-0.6956 -0.6956 0.3616 0.3616 0.4723 0.4723 1.1324 1.1324
1.2290 1.2290 1.5121 1.5121 10.3402 10.3402 12.7690 12.7690
14.5272 14.5272 18.8385 18.8385 23.5406 23.5406 23.8206 23.8206
26.0698 26.0698
k = 0.1571 0.0907 0.2565 ( 777 PWs) bands (ev):
-0.7342 -0.7342 0.3644 0.3644 0.4646 0.4646 1.1389 1.1389
1.2254 1.2254 1.4912 1.4912 10.4335 10.4335 12.8296 12.8296
14.4992 14.4992 18.7270 18.7270 23.6369 23.6369 23.9753 23.9753
26.1937 26.1937
k = 0.1520 0.0878 0.2483 ( 773 PWs) bands (ev):
-0.7743 -0.7743 0.3674 0.3674 0.4578 0.4578 1.1458 1.1458
1.2219 1.2219 1.4720 1.4720 10.5295 10.5295 12.8879 12.8879
14.4692 14.4692 18.6138 18.6138 23.7294 23.7294 24.1415 24.1415
26.3234 26.3234
k = 0.1470 0.0848 0.2400 ( 773 PWs) bands (ev):
-0.8154 -0.8154 0.3702 0.3702 0.4518 0.4518 1.1529 1.1529
1.2186 1.2186 1.4544 1.4544 10.6279 10.6279 12.9438 12.9438
14.4371 14.4371 18.4990 18.4990 23.8223 23.8223 24.3150 24.3150
26.4586 26.4586
k = 0.1419 0.0819 0.2317 ( 773 PWs) bands (ev):
-0.8574 -0.8574 0.3731 0.3731 0.4465 0.4465 1.1602 1.1602
1.2154 1.2154 1.4382 1.4382 10.7288 10.7288 12.9974 12.9974
14.4034 14.4034 18.3826 18.3826 23.9176 23.9176 24.4934 24.4934
26.5989 26.5989
k = 0.1368 0.0790 0.2234 ( 777 PWs) bands (ev):
-0.8999 -0.8999 0.3758 0.3758 0.4418 0.4418 1.1676 1.1676
1.2124 1.2124 1.4234 1.4234 10.8319 10.8319 13.0487 13.0487
14.3683 14.3683 18.2645 18.2645 24.0165 24.0165 24.6755 24.6755
26.7441 26.7441
k = 0.1318 0.0761 0.2152 ( 775 PWs) bands (ev):
-0.9426 -0.9426 0.3785 0.3785 0.4378 0.4378 1.1753 1.1753
1.2095 1.2095 1.4100 1.4100 10.9373 10.9373 13.0976 13.0976
14.3321 14.3321 18.1451 18.1451 24.1194 24.1194 24.8608 24.8608
26.8938 26.8938
k = 0.1267 0.0731 0.2069 ( 775 PWs) bands (ev):
-0.9852 -0.9852 0.3810 0.3810 0.4342 0.4342 1.1830 1.1830
1.2067 1.2067 1.3978 1.3978 11.0449 11.0449 13.1441 13.1441
14.2951 14.2951 18.0242 18.0242 24.2265 24.2265 25.0484 25.0484
27.0477 27.0477
k = 0.1216 0.0702 0.1986 ( 775 PWs) bands (ev):
-1.0276 -1.0276 0.3835 0.3835 0.4311 0.4311 1.1906 1.1906
1.2041 1.2041 1.3868 1.3868 11.1545 11.1545 13.1884 13.1884
14.2574 14.2574 17.9020 17.9020 24.3381 24.3381 25.2380 25.2380
27.2054 27.2054
k = 0.1166 0.0673 0.1903 ( 777 PWs) bands (ev):
-1.0695 -1.0695 0.3857 0.3857 0.4284 0.4284 1.1972 1.1972
1.2025 1.2025 1.3768 1.3768 11.2661 11.2661 13.2303 13.2303
14.2194 14.2194 17.7785 17.7785 24.4542 24.4542 25.4292 25.4292
27.3664 27.3664
k = 0.1115 0.0644 0.1821 ( 777 PWs) bands (ev):
-1.1107 -1.1107 0.3879 0.3879 0.4259 0.4259 1.1975 1.1975
1.2074 1.2074 1.3678 1.3678 11.3795 11.3795 13.2699 13.2699
14.1812 14.1812 17.6538 17.6538 24.5747 24.5747 25.6217 25.6217
27.5303 27.5303
k = 0.1064 0.0614 0.1738 ( 777 PWs) bands (ev):
-1.1511 -1.1511 0.3899 0.3899 0.4238 0.4238 1.1952 1.1952
1.2148 1.2148 1.3599 1.3599 11.4947 11.4947 13.3073 13.3073
14.1432 14.1432 17.5279 17.5279 24.6995 24.6995 25.8151 25.8151
27.6967 27.6967
k = 0.1014 0.0585 0.1655 ( 783 PWs) bands (ev):
-1.1904 -1.1904 0.3917 0.3917 0.4218 0.4218 1.1926 1.1926
1.2224 1.2224 1.3528 1.3528 11.6114 11.6114 13.3424 13.3424
14.1054 14.1054 17.4010 17.4010 24.8286 24.8286 26.0089 26.0089
27.8648 27.8648
k = 0.0963 0.0556 0.1572 ( 775 PWs) bands (ev):
-1.2285 -1.2285 0.3934 0.3934 0.4201 0.4201 1.1902 1.1902
1.2300 1.2300 1.3466 1.3466 11.7296 11.7296 13.3756 13.3756
14.0683 14.0683 17.2733 17.2733 24.9618 24.9618 26.2029 26.2029
28.0340 28.0340
k = 0.0912 0.0527 0.1490 ( 775 PWs) bands (ev):
-1.2654 -1.2654 0.3950 0.3950 0.4185 0.4185 1.1876 1.1876
1.2374 1.2374 1.3411 1.3411 11.8491 11.8491 13.4065 13.4065
14.0318 14.0318 17.1448 17.1448 25.0988 25.0988 26.3966 26.3966
28.2034 28.2034
k = 0.0861 0.0497 0.1407 ( 775 PWs) bands (ev):
-1.3008 -1.3008 0.3963 0.3963 0.4171 0.4171 1.1852 1.1852
1.2446 1.2446 1.3364 1.3364 11.9698 11.9698 13.4353 13.4353
13.9963 13.9963 17.0156 17.0156 25.2394 25.2394 26.5895 26.5895
28.3717 28.3717
k = 0.0811 0.0468 0.1324 ( 771 PWs) bands (ev):
-1.3346 -1.3346 0.3976 0.3976 0.4157 0.4157 1.1828 1.1828
1.2517 1.2517 1.3323 1.3323 12.0914 12.0914 13.4622 13.4622
13.9619 13.9619 16.8860 16.8860 25.3833 25.3833 26.7812 26.7812
28.5373 28.5373
k = 0.0760 0.0439 0.1241 ( 771 PWs) bands (ev):
-1.3668 -1.3668 0.3988 0.3988 0.4145 0.4145 1.1804 1.1804
1.2584 1.2584 1.3288 1.3288 12.2137 12.2137 13.4870 13.4870
13.9288 13.9288 16.7562 16.7562 25.5302 25.5302 26.9710 26.9710
28.6974 28.6974
k = 0.0709 0.0410 0.1159 ( 771 PWs) bands (ev):
-1.3973 -1.3973 0.3997 0.3997 0.4133 0.4133 1.1782 1.1782
1.2649 1.2649 1.3258 1.3258 12.3366 12.3366 13.5098 13.5098
13.8971 13.8971 16.6264 16.6264 25.6797 25.6797 27.1584 27.1584
28.8476 28.8476
k = 0.0659 0.0380 0.1076 ( 771 PWs) bands (ev):
-1.4260 -1.4260 0.4006 0.4006 0.4122 0.4122 1.1760 1.1760
1.2711 1.2711 1.3233 1.3233 12.4595 12.4595 13.5308 13.5308
13.8670 13.8670 16.4968 16.4968 25.8311 25.8311 27.3428 27.3428
28.9798 28.9798
k = 0.0608 0.0351 0.0993 ( 771 PWs) bands (ev):
-1.4528 -1.4528 0.4014 0.4014 0.4112 0.4112 1.1739 1.1739
1.2770 1.2770 1.3212 1.3212 12.5823 12.5823 13.5499 13.5499
13.8388 13.8388 16.3679 16.3679 25.9840 25.9840 27.5235 27.5235
29.0802 29.0802
k = 0.0557 0.0322 0.0910 ( 767 PWs) bands (ev):
-1.4777 -1.4777 0.4021 0.4021 0.4103 0.4103 1.1721 1.1721
1.2825 1.2825 1.3195 1.3195 12.7045 12.7045 13.5671 13.5671
13.8125 13.8125 16.2401 16.2401 26.1375 26.1375 27.6997 27.6997
29.1062 29.1062
k = 0.0507 0.0293 0.0828 ( 771 PWs) bands (ev):
-1.5006 -1.5006 0.4026 0.4026 0.4094 0.4094 1.1702 1.1702
1.2876 1.2876 1.3180 1.3180 12.8255 12.8255 13.5825 13.5825
13.7883 13.7883 16.1139 16.1139 26.2906 26.2906 27.8704 27.8704
29.0889 29.0889
k = 0.0456 0.0263 0.0745 ( 767 PWs) bands (ev):
-1.5214 -1.5214 0.4031 0.4031 0.4086 0.4086 1.1686 1.1686
1.2923 1.2923 1.3169 1.3169 12.9446 12.9446 13.5960 13.5960
13.7665 13.7665 15.9900 15.9900 26.4421 26.4421 28.0350 28.0350
29.0718 29.0718
k = 0.0405 0.0234 0.0662 ( 767 PWs) bands (ev):
-1.5402 -1.5402 0.4036 0.4036 0.4079 0.4079 1.1671 1.1671
1.2966 1.2966 1.3160 1.3160 13.0608 13.0608 13.6078 13.6078
13.7471 13.7471 15.8692 15.8692 26.5906 26.5906 28.1923 28.1923
29.0554 29.0554
k = 0.0355 0.0205 0.0579 ( 761 PWs) bands (ev):
-1.5568 -1.5568 0.4040 0.4040 0.4073 0.4073 1.1659 1.1659
1.3005 1.3005 1.3153 1.3153 13.1730 13.1730 13.6178 13.6178
13.7305 13.7305 15.7528 15.7528 26.7342 26.7342 28.3412 28.3412
29.0396 29.0396
k = 0.0304 0.0176 0.0497 ( 753 PWs) bands (ev):
-1.5713 -1.5713 0.4043 0.4043 0.4067 0.4067 1.1647 1.1647
1.3039 1.3039 1.3147 1.3147 13.2795 13.2795 13.6260 13.6260
13.7169 13.7169 15.6422 15.6422 26.8703 26.8703 28.4806 28.4806
29.0245 29.0245
k = 0.0253 0.0146 0.0414 ( 749 PWs) bands (ev):
-1.5836 -1.5836 0.4046 0.4046 0.4063 0.4063 1.1638 1.1638
1.3068 1.3068 1.3143 1.3143 13.3778 13.3778 13.6327 13.6327
13.7064 13.7064 15.5395 15.5395 26.9960 26.9960 28.6090 28.6090
29.0106 29.0106
k = 0.0203 0.0117 0.0331 ( 749 PWs) bands (ev):
-1.5937 -1.5937 0.4048 0.4048 0.4059 0.4059 1.1630 1.1630
1.3092 1.3092 1.3140 1.3140 13.4641 13.4641 13.6389 13.6389
13.6989 13.6989 15.4474 15.4474 27.1076 27.1076 28.7246 28.7246
28.9981 28.9981
k = 0.0152 0.0088 0.0248 ( 749 PWs) bands (ev):
-1.6015 -1.6015 0.4049 0.4049 0.4056 0.4056 1.1624 1.1624
1.3110 1.3110 1.3137 1.3137 13.5329 13.5329 13.6474 13.6474
13.6943 13.6943 15.3691 15.3691 27.2011 27.2011 28.8244 28.8244
28.9878 28.9878
k = 0.0101 0.0059 0.0166 ( 749 PWs) bands (ev):
-1.6072 -1.6072 0.4050 0.4050 0.4053 0.4053 1.1619 1.1619
1.3124 1.3124 1.3136 1.3136 13.5763 13.5763 13.6630 13.6630
13.6918 13.6918 15.3087 15.3087 27.2721 27.2721 28.9039 28.9039
28.9801 28.9801
k = 0.0051 0.0029 0.0083 ( 749 PWs) bands (ev):
-1.6106 -1.6106 0.4051 0.4051 0.4052 0.4052 1.1617 1.1617
1.3132 1.3132 1.3135 1.3135 13.5944 13.5944 13.6819 13.6819
13.6906 13.6906 15.2703 15.2703 27.3167 27.3167 28.9558 28.9558
28.9754 28.9754
k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev):
-1.6117 -1.6117 0.4051 0.4051 0.4051 0.4051 1.1616 1.1616
1.3134 1.3134 1.3134 1.3134 13.5988 13.5988 13.6903 13.6903
13.6903 13.6903 15.2571 15.2571 27.3319 27.3319 28.9738 28.9738
28.9738 28.9738
k = 0.0000 0.0000 0.0000 ( 749 PWs) bands (ev):
-1.6117 -1.6117 0.4051 0.4051 0.4051 0.4051 1.1616 1.1616
1.3134 1.3134 1.3134 1.3134 13.5988 13.5988 13.6903 13.6903
13.6903 13.6903 15.2571 15.2571 27.3319 27.3319 28.9738 28.9738
28.9738 28.9738
k = 0.0082 0.0047 0.0033 ( 749 PWs) bands (ev):
-1.6106 -1.6106 0.4051 0.4051 0.4052 0.4052 1.1617 1.1617
1.3132 1.3132 1.3135 1.3135 13.5945 13.5945 13.6819 13.6819
13.6909 13.6909 15.2701 15.2701 27.3169 27.3169 28.9607 28.9607
28.9710 28.9710
k = 0.0164 0.0095 0.0067 ( 749 PWs) bands (ev):
-1.6073 -1.6073 0.4050 0.4050 0.4053 0.4053 1.1619 1.1619
1.3124 1.3124 1.3135 1.3135 13.5757 13.5757 13.6636 13.6636
13.6926 13.6926 15.3077 15.3077 27.2729 27.2729 28.9249 28.9249
28.9627 28.9627
k = 0.0246 0.0142 0.0100 ( 749 PWs) bands (ev):
-1.6017 -1.6017 0.4049 0.4049 0.4056 0.4056 1.1624 1.1624
1.3112 1.3112 1.3136 1.3136 13.5302 13.5302 13.6511 13.6511
13.6955 13.6955 15.3668 15.3668 27.2018 27.2018 28.8735 28.8735
28.9485 28.9485
k = 0.0328 0.0189 0.0134 ( 749 PWs) bands (ev):
-1.5940 -1.5940 0.4047 0.4047 0.4059 0.4059 1.1630 1.1630
1.3095 1.3095 1.3137 1.3137 13.4583 13.4583 13.6481 13.6481
13.6996 13.6996 15.4432 15.4432 27.1068 27.1068 28.8125 28.8125
28.9281 28.9281
k = 0.0410 0.0237 0.0167 ( 749 PWs) bands (ev):
-1.5841 -1.5841 0.4045 0.4045 0.4064 0.4064 1.1638 1.1638
1.3073 1.3073 1.3139 1.3139 13.3681 13.3681 13.6503 13.6503
13.7047 13.7047 15.5329 15.5329 26.9917 26.9917 28.7451 28.7451
28.9010 28.9010
k = 0.0492 0.0284 0.0201 ( 755 PWs) bands (ev):
-1.5720 -1.5720 0.4041 0.4041 0.4068 0.4068 1.1647 1.1647
1.3046 1.3046 1.3141 1.3141 13.2653 13.2653 13.6554 13.6554
13.7110 13.7110 15.6325 15.6325 26.8598 26.8598 28.6722 28.6722
28.8664 28.8664
k = 0.0574 0.0331 0.0234 ( 755 PWs) bands (ev):
-1.5577 -1.5577 0.4038 0.4038 0.4075 0.4075 1.1658 1.1658
1.3014 1.3014 1.3144 1.3144 13.1536 13.1536 13.6625 13.6625
13.7185 13.7185 15.7394 15.7394 26.7150 26.7150 28.5936 28.5936
28.8239 28.8239
k = 0.0656 0.0379 0.0268 ( 758 PWs) bands (ev):
-1.5412 -1.5412 0.4033 0.4033 0.4082 0.4082 1.1671 1.1671
1.2978 1.2978 1.3148 1.3148 13.0354 13.0354 13.6711 13.6711
13.7270 13.7270 15.8514 15.8514 26.5602 26.5602 28.5089 28.5089
28.7728 28.7728
k = 0.0738 0.0426 0.0301 ( 764 PWs) bands (ev):
-1.5226 -1.5226 0.4026 0.4026 0.4089 0.4089 1.1685 1.1685
1.2938 1.2938 1.3152 1.3152 12.9121 12.9121 13.6810 13.6810
13.7364 13.7364 15.9671 15.9671 26.3979 26.3979 28.4175 28.4175
28.7126 28.7126
k = 0.0820 0.0473 0.0335 ( 770 PWs) bands (ev):
-1.5019 -1.5019 0.4020 0.4020 0.4097 0.4097 1.1701 1.1701
1.2894 1.2894 1.3157 1.3157 12.7851 12.7851 13.6923 13.6923
13.7471 13.7471 16.0852 16.0852 26.2301 26.2301 28.3193 28.3193
28.6434 28.6434
k = 0.0902 0.0521 0.0368 ( 770 PWs) bands (ev):
-1.4791 -1.4791 0.4012 0.4012 0.4106 0.4106 1.1719 1.1719
1.2847 1.2847 1.3164 1.3164 12.6553 12.6553 13.7049 13.7049
13.7587 13.7587 16.2048 16.2048 26.0587 26.0587 28.2146 28.2146
28.5651 28.5651
k = 0.0984 0.0568 0.0402 ( 773 PWs) bands (ev):
-1.4542 -1.4542 0.4003 0.4003 0.4115 0.4115 1.1738 1.1738
1.2796 1.2796 1.3172 1.3172 12.5234 12.5234 13.7186 13.7186
13.7714 13.7714 16.3252 16.3252 25.8852 25.8852 28.1037 28.1037
28.4778 28.4778
k = 0.1066 0.0615 0.0435 ( 773 PWs) bands (ev):
-1.4273 -1.4273 0.3993 0.3993 0.4125 0.4125 1.1758 1.1758
1.2743 1.2743 1.3182 1.3182 12.3898 12.3898 13.7335 13.7335
13.7851 13.7851 16.4456 16.4456 25.7106 25.7106 27.9871 27.9871
28.3822 28.3822
k = 0.1148 0.0663 0.0468 ( 779 PWs) bands (ev):
-1.3983 -1.3983 0.3981 0.3981 0.4135 0.4135 1.1777 1.1777
1.2687 1.2687 1.3193 1.3193 12.2550 12.2550 13.7494 13.7494
13.7997 13.7997 16.5657 16.5657 25.5359 25.5359 27.8653 27.8653
28.2788 28.2788
k = 0.1230 0.0710 0.0502 ( 779 PWs) bands (ev):
-1.3674 -1.3674 0.3967 0.3967 0.4145 0.4145 1.1798 1.1798
1.2631 1.2631 1.3206 1.3206 12.1193 12.1193 13.7663 13.7663
13.8153 13.8153 16.6849 16.6849 25.3622 25.3622 27.7391 27.7391
28.1686 28.1686
k = 0.1311 0.0757 0.0535 ( 785 PWs) bands (ev):
-1.3345 -1.3345 0.3952 0.3952 0.4155 0.4155 1.1816 1.1816
1.2574 1.2574 1.3220 1.3220 11.9831 11.9831 13.7842 13.7842
13.8316 13.8316 16.8029 16.8029 25.1899 25.1899 27.6092 27.6092
28.0523 28.0523
k = 0.1393 0.0805 0.0569 ( 785 PWs) bands (ev):
-1.2998 -1.2998 0.3935 0.3935 0.4165 0.4165 1.1833 1.1833
1.2519 1.2519 1.3237 1.3237 11.8464 11.8464 13.8031 13.8031
13.8490 13.8490 16.9192 16.9192 25.0200 25.0200 27.4761 27.4761
27.9309 27.9309
k = 0.1475 0.0852 0.0602 ( 785 PWs) bands (ev):
-1.2631 -1.2631 0.3917 0.3917 0.4176 0.4176 1.1845 1.1845
1.2468 1.2468 1.3256 1.3256 11.7096 11.7096 13.8229 13.8229
13.8671 13.8671 17.0334 17.0334 24.8529 24.8529 27.3406 27.3406
27.8053 27.8053
k = 0.1557 0.0899 0.0636 ( 785 PWs) bands (ev):
-1.2247 -1.2247 0.3896 0.3896 0.4186 0.4186 1.1850 1.1850
1.2424 1.2424 1.3278 1.3278 11.5727 11.5727 13.8436 13.8436
13.8861 13.8861 17.1453 17.1453 24.6892 24.6892 27.2032 27.2032
27.6762 27.6762
k = 0.1639 0.0946 0.0669 ( 785 PWs) bands (ev):
-1.1845 -1.1845 0.3874 0.3874 0.4196 0.4196 1.1844 1.1844
1.2390 1.2390 1.3301 1.3301 11.4360 11.4360 13.8651 13.8651
13.9058 13.9058 17.2544 17.2544 24.5296 24.5296 27.0644 27.0644
27.5444 27.5444
k = 0.1721 0.0994 0.0703 ( 785 PWs) bands (ev):
-1.1425 -1.1425 0.3850 0.3850 0.4205 0.4205 1.1824 1.1824
1.2371 1.2371 1.3327 1.3327 11.2996 11.2996 13.8874 13.8874
13.9261 13.9261 17.3604 17.3604 24.3744 24.3744 26.9246 26.9246
27.4105 27.4105
k = 0.1803 0.1041 0.0736 ( 785 PWs) bands (ev):
-1.0990 -1.0990 0.3823 0.3823 0.4214 0.4214 1.1789 1.1789
1.2367 1.2367 1.3355 1.3355 11.1635 11.1635 13.9104 13.9104
13.9472 13.9472 17.4628 17.4628 24.2242 24.2242 26.7844 26.7844
27.2753 27.2753
k = 0.1885 0.1088 0.0770 ( 785 PWs) bands (ev):
-1.0538 -1.0538 0.3795 0.3795 0.4223 0.4223 1.1739 1.1739
1.2377 1.2377 1.3386 1.3386 11.0280 11.0280 13.9341 13.9341
13.9689 13.9689 17.5614 17.5614 24.0794 24.0794 26.6441 26.6441
27.1392 27.1392
k = 0.1967 0.1136 0.0803 ( 785 PWs) bands (ev):
-1.0072 -1.0072 0.3765 0.3765 0.4232 0.4232 1.1678 1.1678
1.2399 1.2399 1.3419 1.3419 10.8931 10.8931 13.9584 13.9584
13.9911 13.9911 17.6558 17.6558 23.9405 23.9405 26.5041 26.5041
27.0027 27.0027
k = 0.2049 0.1183 0.0837 ( 785 PWs) bands (ev):
-0.9591 -0.9591 0.3733 0.3733 0.4240 0.4240 1.1609 1.1609
1.2430 1.2430 1.3454 1.3454 10.7589 10.7589 13.9832 13.9832
14.0138 14.0138 17.7455 17.7455 23.8080 23.8080 26.3647 26.3647
26.8663 26.8663
k = 0.2131 0.1230 0.0870 ( 785 PWs) bands (ev):
-0.9096 -0.9096 0.3698 0.3698 0.4248 0.4248 1.1534 1.1534
1.2469 1.2469 1.3492 1.3492 10.6256 10.6256 14.0086 14.0086
14.0370 14.0370 17.8301 17.8301 23.6823 23.6823 26.2262 26.2262
26.7305 26.7305
k = 0.2213 0.1278 0.0904 ( 784 PWs) bands (ev):
-0.8589 -0.8589 0.3662 0.3662 0.4256 0.4256 1.1454 1.1454
1.2513 1.2513 1.3532 1.3532 10.4933 10.4933 14.0344 14.0344
14.0606 14.0606 17.9094 17.9094 23.5639 23.5639 26.0890 26.0890
26.5955 26.5955
k = 0.2295 0.1325 0.0937 ( 784 PWs) bands (ev):
-0.8070 -0.8070 0.3624 0.3624 0.4264 0.4264 1.1371 1.1371
1.2561 1.2561 1.3575 1.3575 10.3620 10.3620 14.0606 14.0606
14.0845 14.0845 17.9829 17.9829 23.4531 23.4531 25.9532 25.9532
26.4616 26.4616
k = 0.2377 0.1372 0.0970 ( 784 PWs) bands (ev):
-0.7540 -0.7540 0.3585 0.3585 0.4272 0.4272 1.1286 1.1286
1.2611 1.2611 1.3619 1.3619 10.2319 10.2319 14.0871 14.0871
14.1088 14.1088 18.0503 18.0503 23.3503 23.3503 25.8192 25.8192
26.3293 26.3293
k = 0.2459 0.1420 0.1004 ( 784 PWs) bands (ev):
-0.7000 -0.7000 0.3544 0.3544 0.4280 0.4280 1.1199 1.1199
1.2665 1.2665 1.3666 1.3666 10.1030 10.1030 14.1139 14.1139
14.1333 14.1333 18.1112 18.1112 23.2557 23.2557 25.6871 25.6871
26.1987 26.1987
k = 0.2541 0.1467 0.1037 ( 778 PWs) bands (ev):
-0.6452 -0.6452 0.3501 0.3501 0.4289 0.4289 1.1112 1.1112
1.2721 1.2721 1.3715 1.3715 9.9756 9.9756 14.1410 14.1410
14.1580 14.1580 18.1655 18.1655 23.1700 23.1700 25.5571 25.5571
26.0700 26.0700
k = 0.2623 0.1514 0.1071 ( 778 PWs) bands (ev):
-0.5897 -0.5897 0.3457 0.3457 0.4298 0.4298 1.1025 1.1025
1.2778 1.2778 1.3764 1.3764 9.8497 9.8497 14.1681 14.1681
14.1829 14.1829 18.2129 18.2129 23.0927 23.0927 25.4295 25.4295
25.9436 25.9436
k = 0.2705 0.1562 0.1104 ( 778 PWs) bands (ev):
-0.5336 -0.5336 0.3413 0.3413 0.4308 0.4308 1.0937 1.0937
1.2836 1.2836 1.3816 1.3816 9.7254 9.7254 14.1954 14.1954
14.2077 14.2077 18.2532 18.2532 23.0243 23.0243 25.3045 25.3045
25.8196 25.8196
k = 0.2787 0.1609 0.1138 ( 775 PWs) bands (ev):
-0.4772 -0.4772 0.3367 0.3367 0.4320 0.4320 1.0851 1.0851
1.2895 1.2895 1.3869 1.3869 9.6029 9.6029 14.2226 14.2226
14.2326 14.2326 18.2866 18.2866 22.9647 22.9647 25.1821 25.1821
25.6983 25.6983
k = 0.2869 0.1656 0.1171 ( 775 PWs) bands (ev):
-0.4204 -0.4204 0.3320 0.3320 0.4333 0.4333 1.0765 1.0765
1.2954 1.2954 1.3923 1.3923 9.4823 9.4823 14.2498 14.2498
14.2574 14.2574 18.3129 18.3129 22.9138 22.9138 25.0626 25.0626
25.5797 25.5797
k = 0.2951 0.1704 0.1205 ( 769 PWs) bands (ev):
-0.3636 -0.3636 0.3274 0.3274 0.4350 0.4350 1.0680 1.0680
1.3013 1.3013 1.3978 1.3978 9.3637 9.3637 14.2768 14.2768
14.2822 14.2822 18.3324 18.3324 22.8716 22.8716 24.9462 24.9462
25.4642 25.4642
k = 0.3033 0.1751 0.1238 ( 769 PWs) bands (ev):
-0.3070 -0.3070 0.3226 0.3226 0.4370 0.4370 1.0596 1.0596
1.3072 1.3072 1.4034 1.4034 9.2473 9.2473 14.3036 14.3036
14.3066 14.3066 18.3454 18.3454 22.8375 22.8375 24.8329 24.8329
25.3518 25.3518
k = 0.3115 0.1798 0.1272 ( 769 PWs) bands (ev):
-0.2508 -0.2508 0.3179 0.3179 0.4394 0.4394 1.0513 1.0513
1.3130 1.3130 1.4089 1.4089 9.1333 9.1333 14.3301 14.3301
14.3308 14.3308 18.3521 18.3521 22.8112 22.8112 24.7230 24.7230
25.2427 25.2427
k = 0.3197 0.1846 0.1305 ( 769 PWs) bands (ev):
-0.1954 -0.1954 0.3132 0.3132 0.4424 0.4424 1.0433 1.0433
1.3186 1.3186 1.4145 1.4145 9.0218 9.0218 14.3547 14.3547
14.3563 14.3563 18.3530 18.3530 22.7921 22.7921 24.6165 24.6165
25.1370 25.1370
k = 0.3279 0.1893 0.1339 ( 769 PWs) bands (ev):
-0.1409 -0.1409 0.3085 0.3085 0.4461 0.4461 1.0354 1.0354
1.3242 1.3242 1.4200 1.4200 8.9130 8.9130 14.3782 14.3782
14.3820 14.3820 18.3487 18.3487 22.7798 22.7798 24.5137 24.5137
25.0350 25.0350
k = 0.3361 0.1940 0.1372 ( 769 PWs) bands (ev):
-0.0878 -0.0878 0.3038 0.3038 0.4508 0.4508 1.0277 1.0277
1.3296 1.3296 1.4255 1.4255 8.8071 8.8071 14.4012 14.4012
14.4072 14.4072 18.3397 18.3397 22.7736 22.7736 24.4146 24.4146
24.9367 24.9367
k = 0.3443 0.1988 0.1405 ( 769 PWs) bands (ev):
-0.0366 -0.0366 0.2992 0.2992 0.4568 0.4568 1.0202 1.0202
1.3348 1.3348 1.4310 1.4310 8.7042 8.7042 14.4236 14.4236
14.4318 14.4318 18.3265 18.3265 22.7728 22.7728 24.3194 24.3194
24.8422 24.8422
k = 0.3525 0.2035 0.1439 ( 769 PWs) bands (ev):
0.0123 0.0123 0.2947 0.2947 0.4643 0.4643 1.0129 1.0129
1.3398 1.3398 1.4363 1.4363 8.6046 8.6046 14.4454 14.4454
14.4557 14.4557 18.3100 18.3100 22.7766 22.7766 24.2282 24.2282
24.7518 24.7518
k = 0.3607 0.2082 0.1472 ( 769 PWs) bands (ev):
0.0583 0.0583 0.2904 0.2904 0.4738 0.4738 1.0059 1.0059
1.3445 1.3445 1.4415 1.4415 8.5085 8.5085 14.4666 14.4666
14.4789 14.4789 18.2906 18.2906 22.7845 22.7845 24.1411 24.1411
24.6655 24.6655
k = 0.3689 0.2130 0.1506 ( 769 PWs) bands (ev):
0.1006 0.1006 0.2861 0.2861 0.4856 0.4856 0.9991 0.9991
1.3489 1.3489 1.4466 1.4466 8.4161 8.4161 14.4870 14.4870
14.5013 14.5013 18.2689 18.2689 22.7957 22.7957 24.0582 24.0582
24.5834 24.5834
k = 0.3770 0.2177 0.1539 ( 775 PWs) bands (ev):
0.1388 0.1388 0.2820 0.2820 0.5003 0.5003 0.9924 0.9924
1.3530 1.3530 1.4514 1.4514 8.3276 8.3276 14.5065 14.5065
14.5228 14.5228 18.2456 18.2456 22.8094 22.8094 23.9798 23.9798
24.5057 24.5057
k = 0.3852 0.2224 0.1573 ( 775 PWs) bands (ev):
0.1723 0.1723 0.2781 0.2781 0.5181 0.5181 0.9860 0.9860
1.3569 1.3569 1.4561 1.4561 8.2433 8.2433 14.5252 14.5252
14.5433 14.5433 18.2214 18.2214 22.8252 22.8252 23.9057 23.9057
24.4325 24.4325
k = 0.3934 0.2272 0.1606 ( 769 PWs) bands (ev):
0.2008 0.2008 0.2744 0.2744 0.5391 0.5391 0.9799 0.9799
1.3604 1.3604 1.4607 1.4607 8.1634 8.1634 14.5429 14.5429
14.5628 14.5628 18.1966 18.1966 22.8427 22.8427 23.8363 23.8363
24.3638 24.3638
k = 0.4016 0.2319 0.1640 ( 769 PWs) bands (ev):
0.2244 0.2244 0.2709 0.2709 0.5630 0.5630 0.9739 0.9739
1.3635 1.3635 1.4649 1.4649 8.0881 8.0881 14.5596 14.5596
14.5811 14.5811 18.1717 18.1717 22.8608 22.8608 23.7715 23.7715
24.2998 24.2998
k = 0.4098 0.2366 0.1673 ( 769 PWs) bands (ev):
0.2435 0.2435 0.2676 0.2676 0.5892 0.5892 0.9681 0.9681
1.3663 1.3663 1.4689 1.4689 8.0177 8.0177 14.5752 14.5752
14.5983 14.5983 18.1474 18.1474 22.8792 22.8792 23.7114 23.7114
24.2406 24.2406
k = 0.4180 0.2414 0.1707 ( 769 PWs) bands (ev):
0.2586 0.2586 0.2646 0.2646 0.6169 0.6169 0.9624 0.9624
1.3687 1.3687 1.4727 1.4727 7.9525 7.9525 14.5897 14.5897
14.6142 14.6142 18.1238 18.1238 22.8976 22.8976 23.6562 23.6562
24.1861 24.1861
k = 0.4262 0.2461 0.1740 ( 772 PWs) bands (ev):
0.2617 0.2617 0.2704 0.2704 0.6452 0.6452 0.9568 0.9568
1.3706 1.3706 1.4760 1.4760 7.8925 7.8925 14.6030 14.6030
14.6288 14.6288 18.1015 18.1015 22.9154 22.9154 23.6059 23.6059
24.1367 24.1367
k = 0.4344 0.2508 0.1774 ( 772 PWs) bands (ev):
0.2592 0.2592 0.2797 0.2797 0.6734 0.6734 0.9513 0.9513
1.3723 1.3723 1.4791 1.4791 7.8382 7.8382 14.6150 14.6150
14.6420 14.6420 18.0806 18.0806 22.9324 22.9324 23.5606 23.5606
24.0922 24.0922
k = 0.4426 0.2555 0.1807 ( 772 PWs) bands (ev):
0.2569 0.2569 0.2868 0.2868 0.7005 0.7005 0.9459 0.9459
1.3737 1.3737 1.4819 1.4819 7.7896 7.7896 14.6257 14.6257
14.6538 14.6538 18.0616 18.0616 22.9482 22.9482 23.5204 23.5204
24.0528 24.0528
k = 0.4508 0.2603 0.1840 ( 778 PWs) bands (ev):
0.2549 0.2549 0.2922 0.2922 0.7259 0.7259 0.9404 0.9404
1.3747 1.3747 1.4843 1.4843 7.7471 7.7471 14.6351 14.6351
14.6642 14.6642 18.0447 18.0447 22.9623 22.9623 23.4853 23.4853
24.0185 24.0185
k = 0.4590 0.2650 0.1874 ( 778 PWs) bands (ev):
0.2532 0.2532 0.2964 0.2964 0.7492 0.7492 0.9351 0.9351
1.3755 1.3755 1.4863 1.4863 7.7107 7.7107 14.6431 14.6431
14.6730 14.6730 18.0300 18.0300 22.9749 22.9749 23.4555 23.4555
23.9894 23.9894
k = 0.4672 0.2697 0.1907 ( 781 PWs) bands (ev):
0.2518 0.2518 0.2995 0.2995 0.7697 0.7697 0.9298 0.9298
1.3761 1.3761 1.4880 1.4880 7.6808 7.6808 14.6497 14.6497
14.6802 14.6802 18.0178 18.0178 22.9853 22.9853 23.4309 23.4309
23.9655 23.9655
k = 0.4754 0.2745 0.1941 ( 778 PWs) bands (ev):
0.2507 0.2507 0.3018 0.3018 0.7869 0.7869 0.9249 0.9249
1.3765 1.3765 1.4894 1.4894 7.6574 7.6574 14.6548 14.6548
14.6859 14.6859 18.0081 18.0081 22.9939 22.9939 23.4117 23.4117
23.9469 23.9469
k = 0.4836 0.2792 0.1974 ( 778 PWs) bands (ev):
0.2499 0.2499 0.3033 0.3033 0.8001 0.8001 0.9206 0.9206
1.3767 1.3767 1.4904 1.4904 7.6406 7.6406 14.6586 14.6586
14.6900 14.6900 18.0011 18.0011 23.0001 23.0001 23.3980 23.3980
23.9335 23.9335
k = 0.4918 0.2839 0.2008 ( 778 PWs) bands (ev):
0.2494 0.2494 0.3042 0.3042 0.8086 0.8086 0.9176 0.9176
1.3768 1.3768 1.4909 1.4909 7.6304 7.6304 14.6608 14.6608
14.6925 14.6925 17.9969 17.9969 23.0038 23.0038 23.3897 23.3897
23.9255 23.9255
k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev):
0.2493 0.2493 0.3045 0.3045 0.8115 0.8115 0.9165 0.9165
1.3769 1.3769 1.4911 1.4911 7.6271 7.6271 14.6615 14.6615
14.6933 14.6933 17.9955 17.9955 23.0051 23.0051 23.3869 23.3869
23.9229 23.9229
k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev):
0.2493 0.2493 0.3045 0.3045 0.8115 0.8115 0.9165 0.9165
1.3769 1.3769 1.4911 1.4911 7.6271 7.6271 14.6615 14.6615
14.6933 14.6933 17.9955 17.9955 23.0051 23.0051 23.3869 23.3869
23.9229 23.9229
k = 0.5029 0.2803 0.2089 ( 778 PWs) bands (ev):
0.2475 0.2475 0.3034 0.3034 0.8011 0.8011 0.9287 0.9287
1.3775 1.3775 1.4932 1.4932 7.6280 7.6280 14.6560 14.6560
14.6885 14.6885 18.0031 18.0031 22.9861 22.9861 23.3983 23.3983
23.9270 23.9270
k = 0.5058 0.2719 0.2136 ( 778 PWs) bands (ev):
0.2417 0.2417 0.3007 0.3007 0.7788 0.7788 0.9559 0.9559
1.3794 1.3794 1.4997 1.4997 7.6308 7.6308 14.6363 14.6363
14.6774 14.6774 18.0258 18.0258 22.9346 22.9346 23.4274 23.4274
23.9390 23.9390
k = 0.5087 0.2635 0.2184 ( 778 PWs) bands (ev):
0.2307 0.2307 0.2976 0.2976 0.7548 0.7548 0.9878 0.9878
1.3822 1.3822 1.5112 1.5112 7.6354 7.6354 14.5991 14.5991
14.6642 14.6642 18.0628 18.0628 22.8609 22.8609 23.4655 23.4655
23.9577 23.9577
k = 0.5116 0.2551 0.2231 ( 780 PWs) bands (ev):
0.2134 0.2134 0.2952 0.2952 0.7329 0.7329 1.0199 1.0199
1.3855 1.3855 1.5285 1.5285 7.6420 7.6420 14.5451 14.5451
14.6489 14.6489 18.1130 18.1130 22.7724 22.7724 23.5071 23.5071
23.9814 23.9814
k = 0.5145 0.2467 0.2279 ( 779 PWs) bands (ev):
0.1899 0.1899 0.2942 0.2942 0.7146 0.7146 1.0498 1.0498
1.3889 1.3889 1.5526 1.5526 7.6504 7.6504 14.4770 14.4770
14.6306 14.6306 18.1752 18.1752 22.6736 22.6736 23.5500 23.5500
24.0084 24.0084
k = 0.5174 0.2383 0.2326 ( 777 PWs) bands (ev):
0.1608 0.1608 0.2942 0.2942 0.7003 0.7003 1.0763 1.0763
1.3920 1.3920 1.5839 1.5839 7.6607 7.6607 14.3963 14.3963
14.6090 14.6090 18.2478 18.2478 22.5673 22.5673 23.5937 23.5937
24.0370 24.0370
k = 0.5203 0.2299 0.2374 ( 777 PWs) bands (ev):
0.1271 0.1271 0.2952 0.2952 0.6898 0.6898 1.0989 1.0989
1.3948 1.3948 1.6225 1.6225 7.6729 7.6729 14.3046 14.3046
14.5838 14.5838 18.3293 18.3293 22.4555 22.4555 23.6379 23.6379
24.0663 24.0663
k = 0.5233 0.2215 0.2421 ( 777 PWs) bands (ev):
0.0898 0.0898 0.2969 0.2969 0.6829 0.6829 1.1177 1.1177
1.3970 1.3970 1.6679 1.6679 7.6870 7.6870 14.2033 14.2033
14.5555 14.5555 18.4183 18.4183 22.3398 22.3398 23.6826 23.6826
24.0955 24.0955
k = 0.5262 0.2131 0.2468 ( 775 PWs) bands (ev):
0.0496 0.0496 0.2991 0.2991 0.6790 0.6790 1.1328 1.1328
1.3990 1.3990 1.7194 1.7194 7.7031 7.7031 14.0937 14.0937
14.5240 14.5240 18.5133 18.5133 22.2215 22.2215 23.7274 23.7274
24.1248 24.1248
k = 0.5291 0.2048 0.2516 ( 775 PWs) bands (ev):
0.0075 0.0075 0.3017 0.3017 0.6779 0.6779 1.1450 1.1450
1.4006 1.4006 1.7762 1.7762 7.7211 7.7211 13.9769 13.9769
14.4894 14.4894 18.6129 18.6129 22.1018 22.1018 23.7713 23.7713
24.1547 24.1547
k = 0.5320 0.1964 0.2563 ( 774 PWs) bands (ev):
-0.0360 -0.0360 0.3047 0.3047 0.6789 0.6789 1.1546 1.1546
1.4020 1.4020 1.8374 1.8374 7.7412 7.7412 13.8539 13.8539
14.4518 14.4518 18.7157 18.7157 21.9819 21.9819 23.8131 23.8131
24.1864 24.1864
k = 0.5349 0.1880 0.2611 ( 778 PWs) bands (ev):
-0.0804 -0.0804 0.3079 0.3079 0.6819 0.6819 1.1621 1.1621
1.4032 1.4032 1.9022 1.9022 7.7632 7.7632 13.7254 13.7254
14.4114 14.4114 18.8203 18.8203 21.8630 21.8630 23.8510 23.8510
24.2217 24.2217
k = 0.5378 0.1796 0.2658 ( 776 PWs) bands (ev):
-0.1252 -0.1252 0.3113 0.3113 0.6866 0.6866 1.1681 1.1681
1.4044 1.4044 1.9700 1.9700 7.7873 7.7873 13.5924 13.5924
14.3685 14.3685 18.9255 18.9255 21.7464 21.7464 23.8832 23.8832
24.2623 24.2623
k = 0.5407 0.1712 0.2706 ( 778 PWs) bands (ev):
-0.1702 -0.1702 0.3150 0.3150 0.6927 0.6927 1.1727 1.1727
1.4056 1.4056 2.0404 2.0404 7.8134 7.8134 13.4554 13.4554
14.3233 14.3233 19.0295 19.0295 21.6334 21.6334 23.9083 23.9083
24.3098 24.3098
k = 0.5436 0.1628 0.2753 ( 774 PWs) bands (ev):
-0.2150 -0.2150 0.3187 0.3187 0.7000 0.7000 1.1764 1.1764
1.4069 1.4069 2.1128 2.1128 7.8417 7.8417 13.3150 13.3150
14.2759 14.2759 19.1308 19.1308 21.5257 21.5257 23.9256 23.9256
24.3649 24.3649
k = 0.5465 0.1544 0.2801 ( 772 PWs) bands (ev):
-0.2595 -0.2595 0.3226 0.3226 0.7085 0.7085 1.1792 1.1792
1.4083 1.4083 2.1870 2.1870 7.8720 7.8720 13.1716 13.1716
14.2265 14.2265 19.2273 19.2273 21.4251 21.4251 23.9354 23.9354
24.4272 24.4272
k = 0.5494 0.1460 0.2848 ( 774 PWs) bands (ev):
-0.3036 -0.3036 0.3265 0.3265 0.7178 0.7178 1.1813 1.1813
1.4098 1.4098 2.2626 2.2626 7.9045 7.9045 13.0256 13.0256
14.1753 14.1753 19.3165 19.3165 21.3340 21.3340 23.9387 23.9387
24.4960 24.4960
k = 0.5523 0.1376 0.2896 ( 774 PWs) bands (ev):
-0.3470 -0.3470 0.3304 0.3304 0.7280 0.7280 1.1829 1.1829
1.4115 1.4115 2.3394 2.3394 7.9392 7.9392 12.8777 12.8777
14.1224 14.1224 19.3956 19.3956 21.2552 21.2552 23.9363 23.9363
24.5703 24.5703
k = 0.5552 0.1292 0.2943 ( 774 PWs) bands (ev):
-0.3897 -0.3897 0.3342 0.3342 0.7389 0.7389 1.1840 1.1840
1.4133 1.4133 2.4171 2.4171 7.9761 7.9761 12.7279 12.7279
14.0681 14.0681 19.4613 19.4613 21.1918 21.1918 23.9294 23.9294
24.6491 24.6491
k = 0.5581 0.1208 0.2991 ( 774 PWs) bands (ev):
-0.4316 -0.4316 0.3380 0.3380 0.7505 0.7505 1.1848 1.1848
1.4155 1.4155 2.4956 2.4956 8.0153 8.0153 12.5768 12.5768
14.0127 14.0127 19.5102 19.5102 21.1471 21.1471 23.9188 23.9188
24.7315 24.7315
k = 0.5610 0.1124 0.3038 ( 774 PWs) bands (ev):
-0.4725 -0.4725 0.3418 0.3418 0.7626 0.7626 1.1852 1.1852
1.4178 1.4178 2.5746 2.5746 8.0567 8.0567 12.4247 12.4247
13.9561 13.9561 19.5392 19.5392 21.1238 21.1238 23.9053 23.9053
24.8168 24.8168
k = 0.5640 0.1041 0.3086 ( 771 PWs) bands (ev):
-0.5125 -0.5125 0.3454 0.3454 0.7753 0.7753 1.1855 1.1855
1.4204 1.4204 2.6540 2.6540 8.1004 8.1004 12.2718 12.2718
13.8987 13.8987 19.5468 19.5468 21.1236 21.1236 23.8894 23.8894
24.9044 24.9044
k = 0.5669 0.0957 0.3133 ( 773 PWs) bands (ev):
-0.5516 -0.5516 0.3488 0.3488 0.7883 0.7883 1.1855 1.1855
1.4233 1.4233 2.7336 2.7336 8.1464 8.1464 12.1184 12.1184
13.8407 13.8407 19.5332 19.5332 21.1457 21.1457 23.8718 23.8718
24.9936 24.9936
k = 0.5698 0.0873 0.3181 ( 773 PWs) bands (ev):
-0.5896 -0.5896 0.3520 0.3520 0.8017 0.8017 1.1854 1.1854
1.4265 1.4265 2.8133 2.8133 8.1948 8.1948 11.9648 11.9648
13.7821 13.7821 19.5004 19.5004 21.1881 21.1881 23.8530 23.8530
25.0841 25.0841
k = 0.5727 0.0789 0.3228 ( 772 PWs) bands (ev):
-0.6265 -0.6265 0.3551 0.3551 0.8154 0.8154 1.1851 1.1851
1.4300 1.4300 2.8928 2.8928 8.2455 8.2455 11.8114 11.8114
13.7231 13.7231 19.4516 19.4516 21.2473 21.2473 23.8334 23.8334
25.1752 25.1752
k = 0.5756 0.0705 0.3275 ( 772 PWs) bands (ev):
-0.6623 -0.6623 0.3579 0.3579 0.8293 0.8293 1.1848 1.1848
1.4338 1.4338 2.9720 2.9720 8.2986 8.2986 11.6583 11.6583
13.6640 13.6640 19.3903 19.3903 21.3192 21.3192 23.8136 23.8136
25.2666 25.2666
k = 0.5785 0.0621 0.3323 ( 770 PWs) bands (ev):
-0.6970 -0.6970 0.3605 0.3605 0.8434 0.8434 1.1844 1.1844
1.4379 1.4379 3.0506 3.0506 8.3541 8.3541 11.5059 11.5059
13.6049 13.6049 19.3199 19.3199 21.4005 21.4005 23.7938 23.7938
25.3578 25.3578
k = 0.5814 0.0537 0.3370 ( 771 PWs) bands (ev):
-0.7305 -0.7305 0.3628 0.3628 0.8576 0.8576 1.1839 1.1839
1.4422 1.4422 3.1286 3.1286 8.4120 8.4120 11.3545 11.3545
13.5458 13.5458 19.2428 19.2428 21.4879 21.4879 23.7747 23.7747
25.4485 25.4485
k = 0.5843 0.0453 0.3418 ( 771 PWs) bands (ev):
-0.7629 -0.7629 0.3649 0.3649 0.8718 0.8718 1.1835 1.1835
1.4468 1.4468 3.2056 3.2056 8.4722 8.4722 11.2044 11.2044
13.4870 13.4870 19.1614 19.1614 21.5789 21.5789 23.7565 23.7565
25.5381 25.5381
k = 0.5872 0.0369 0.3465 ( 769 PWs) bands (ev):
-0.7940 -0.7940 0.3667 0.3667 0.8860 0.8860 1.1831 1.1831
1.4517 1.4517 3.2816 3.2816 8.5348 8.5348 11.0560 11.0560
13.4286 13.4286 19.0772 19.0772 21.6714 21.6714 23.7398 23.7398
25.6265 25.6265
k = 0.5901 0.0285 0.3513 ( 771 PWs) bands (ev):
-0.8240 -0.8240 0.3682 0.3682 0.9000 0.9000 1.1828 1.1828
1.4568 1.4568 3.3561 3.3561 8.5996 8.5996 10.9096 10.9096
13.3706 13.3706 18.9914 18.9914 21.7635 21.7635 23.7249 23.7249
25.7132 25.7132
k = 0.5930 0.0201 0.3560 ( 771 PWs) bands (ev):
-0.8528 -0.8528 0.3694 0.3694 0.9138 0.9138 1.1826 1.1826
1.4621 1.4621 3.4291 3.4291 8.6667 8.6667 10.7656 10.7656
13.3134 13.3134 18.9050 18.9050 21.8540 21.8540 23.7124 23.7124
25.7979 25.7979
k = 0.5959 0.0117 0.3608 ( 771 PWs) bands (ev):
-0.8804 -0.8804 0.3703 0.3703 0.9275 0.9275 1.1824 1.1824
1.4677 1.4677 3.5002 3.5002 8.7359 8.7359 10.6245 10.6245
13.2569 13.2569 18.8187 18.8187 21.9413 21.9413 23.7026 23.7026
25.8803 25.8803
k = 0.5988 0.0034 0.3655 ( 769 PWs) bands (ev):
-0.9068 -0.9068 0.3710 0.3710 0.9408 0.9408 1.1826 1.1826
1.4734 1.4734 3.5692 3.5692 8.8071 8.8071 10.4869 10.4869
13.2013 13.2013 18.7329 18.7329 22.0246 22.0246 23.6959 23.6959
25.9601 25.9601
k = 0.6017-0.0050 0.3703 ( 771 PWs) bands (ev):
-0.9319 -0.9319 0.3714 0.3714 0.9536 0.9536 1.1828 1.1828
1.4792 1.4792 3.6356 3.6356 8.8799 8.8799 10.3532 10.3532
13.1467 13.1467 18.6482 18.6482 22.1028 22.1028 23.6928 23.6928
26.0371 26.0371
k = 0.6047-0.0134 0.3750 ( 771 PWs) bands (ev):
-0.9559 -0.9559 0.3715 0.3715 0.9661 0.9661 1.1834 1.1834
1.4851 1.4851 3.6992 3.6992 8.9541 8.9541 10.2243 10.2243
13.0932 13.0932 18.5648 18.5648 22.1751 22.1751 23.6934 23.6934
26.1110 26.1110
k = 0.6076-0.0218 0.3798 ( 767 PWs) bands (ev):
-0.9786 -0.9786 0.3715 0.3715 0.9780 0.9780 1.1843 1.1843
1.4912 1.4912 3.7597 3.7597 9.0290 9.0290 10.1012 10.1012
13.0409 13.0409 18.4830 18.4830 22.2410 22.2410 23.6980 23.6980
26.1817 26.1817
k = 0.6105-0.0302 0.3845 ( 767 PWs) bands (ev):
-1.0001 -1.0001 0.3712 0.3712 0.9892 0.9892 1.1855 1.1855
1.4972 1.4972 3.8167 3.8167 9.1034 9.1034 9.9855 9.9855
12.9900 12.9900 18.4031 18.4031 22.2998 22.2998 23.7065 23.7065
26.2490 26.2490
k = 0.6134-0.0386 0.3893 ( 767 PWs) bands (ev):
-1.0204 -1.0204 0.3707 0.3707 0.9997 0.9997 1.1870 1.1870
1.5033 1.5033 3.8697 3.8697 9.1750 9.1750 9.8799 9.8799
12.9404 12.9404 18.3252 18.3252 22.3515 22.3515 23.7187 23.7187
26.3128 26.3128
k = 0.6163-0.0470 0.3940 ( 769 PWs) bands (ev):
-1.0396 -1.0396 0.3700 0.3700 1.0095 1.0095 1.1890 1.1890
1.5092 1.5092 3.9183 3.9183 9.2391 9.2391 9.7895 9.7895
12.8922 12.8922 18.2495 18.2495 22.3961 22.3961 23.7342 23.7342
26.3729 26.3729
k = 0.6192-0.0554 0.3988 ( 766 PWs) bands (ev):
-1.0574 -1.0574 0.3692 0.3692 1.0184 1.0184 1.1916 1.1916
1.5152 1.5152 3.9622 3.9622 9.2859 9.2859 9.7246 9.7246
12.8457 12.8457 18.1760 18.1760 22.4340 22.4340 23.7524 23.7524
26.4294 26.4294
k = 0.6221-0.0638 0.4035 ( 762 PWs) bands (ev):
-1.0742 -1.0742 0.3682 0.3682 1.0264 1.0264 1.1945 1.1945
1.5211 1.5211 4.0008 4.0008 9.2997 9.2997 9.7012 9.7012
12.8008 12.8008 18.1050 18.1050 22.4656 22.4656 23.7727 23.7727
26.4823 26.4823
k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.6200-0.0693 0.4164 ( 762 PWs) bands (ev):
-1.0896 -1.0896 0.3672 0.3672 1.0328 1.0328 1.1984 1.1984
1.5266 1.5266 4.0345 4.0345 9.2757 9.2757 9.7269 9.7269
12.7505 12.7505 18.0437 18.0437 22.4926 22.4926 23.7930 23.7930
26.5178 26.5178
k = 0.6150-0.0664 0.4246 ( 764 PWs) bands (ev):
-1.0893 -1.0893 0.3676 0.3676 1.0306 1.0306 1.1997 1.1997
1.5261 1.5261 4.0364 4.0364 9.2794 9.2794 9.7302 9.7302
12.7292 12.7292 18.0648 18.0648 22.4957 22.4957 23.7905 23.7905
26.4781 26.4781
k = 0.6100-0.0635 0.4327 ( 762 PWs) bands (ev):
-1.0888 -1.0888 0.3683 0.3683 1.0273 1.0273 1.2019 1.2019
1.5253 1.5253 4.0396 4.0396 9.2855 9.2855 9.7356 9.7356
12.6943 12.6943 18.0995 18.0995 22.5008 22.5008 23.7863 23.7863
26.4148 26.4148
k = 0.6050-0.0606 0.4409 ( 766 PWs) bands (ev):
-1.0883 -1.0883 0.3693 0.3693 1.0227 1.0227 1.2047 1.2047
1.5241 1.5241 4.0440 4.0440 9.2941 9.2941 9.7431 9.7431
12.6464 12.6464 18.1469 18.1469 22.5082 22.5082 23.7804 23.7804
26.3313 26.3313
k = 0.6000-0.0577 0.4491 ( 766 PWs) bands (ev):
-1.0875 -1.0875 0.3705 0.3705 1.0172 1.0172 1.2080 1.2080
1.5227 1.5227 4.0496 4.0496 9.3051 9.3051 9.7528 9.7528
12.5864 12.5864 18.2061 18.2061 22.5177 22.5177 23.7730 23.7730
26.2316 26.2316
k = 0.5950-0.0548 0.4572 ( 768 PWs) bands (ev):
-1.0865 -1.0865 0.3719 0.3719 1.0110 1.0110 1.2115 1.2115
1.5211 1.5211 4.0563 4.0563 9.3185 9.3185 9.7646 9.7646
12.5154 12.5154 18.2756 18.2756 22.5296 22.5296 23.7640 23.7640
26.1190 26.1190
k = 0.5900-0.0520 0.4654 ( 768 PWs) bands (ev):
-1.0855 -1.0855 0.3736 0.3736 1.0042 1.0042 1.2153 1.2153
1.5193 1.5193 4.0641 4.0641 9.3343 9.3343 9.7785 9.7785
12.4346 12.4346 18.3542 18.3542 22.5440 22.5440 23.7535 23.7535
25.9968 25.9968
k = 0.5850-0.0491 0.4736 ( 768 PWs) bands (ev):
-1.0843 -1.0843 0.3755 0.3755 0.9969 0.9969 1.2191 1.2191
1.5173 1.5173 4.0728 4.0728 9.3525 9.3525 9.7944 9.7944
12.3452 12.3452 18.4403 18.4403 22.5610 22.5610 23.7414 23.7414
25.8675 25.8675
k = 0.5800-0.0462 0.4817 ( 768 PWs) bands (ev):
-1.0830 -1.0830 0.3776 0.3776 0.9895 0.9895 1.2228 1.2228
1.5151 1.5151 4.0824 4.0824 9.3730 9.3730 9.8123 9.8123
12.2484 12.2484 18.5325 18.5325 22.5809 22.5809 23.7278 23.7278
25.7332 25.7332
k = 0.5750-0.0433 0.4899 ( 770 PWs) bands (ev):
-1.0816 -1.0816 0.3797 0.3797 0.9819 0.9819 1.2263 1.2263
1.5130 1.5130 4.0927 4.0927 9.3958 9.3958 9.8320 9.8320
12.1454 12.1454 18.6292 18.6292 22.6038 22.6038 23.7128 23.7128
25.5957 25.5957
k = 0.5700-0.0404 0.4981 ( 766 PWs) bands (ev):
-1.0802 -1.0802 0.3821 0.3821 0.9743 0.9743 1.2296 1.2296
1.5108 1.5108 4.1036 4.1036 9.4208 9.4208 9.8536 9.8536
12.0374 12.0374 18.7289 18.7289 22.6300 22.6300 23.6963 23.6963
25.4566 25.4566
k = 0.5650-0.0375 0.5062 ( 766 PWs) bands (ev):
-1.0787 -1.0787 0.3845 0.3845 0.9669 0.9669 1.2325 1.2325
1.5086 1.5086 4.1149 4.1149 9.4481 9.4481 9.8769 9.8769
11.9254 11.9254 18.8299 18.8299 22.6597 22.6597 23.6786 23.6786
25.3169 25.3169
k = 0.5600-0.0346 0.5144 ( 766 PWs) bands (ev):
-1.0773 -1.0773 0.3869 0.3869 0.9597 0.9597 1.2351 1.2351
1.5066 1.5066 4.1266 4.1266 9.4776 9.4776 9.9017 9.9017
11.8105 11.8105 18.9308 18.9308 22.6932 22.6932 23.6596 23.6596
25.1780 25.1780
k = 0.5550-0.0318 0.5226 ( 766 PWs) bands (ev):
-1.0758 -1.0758 0.3893 0.3893 0.9528 0.9528 1.2373 1.2373
1.5046 1.5046 4.1385 4.1385 9.5091 9.5091 9.9278 9.9278
11.6940 11.6940 19.0300 19.0300 22.7309 22.7309 23.6393 23.6393
25.0408 25.0408
k = 0.5500-0.0289 0.5307 ( 766 PWs) bands (ev):
-1.0744 -1.0744 0.3916 0.3916 0.9463 0.9463 1.2391 1.2391
1.5028 1.5028 4.1504 4.1504 9.5428 9.5428 9.9549 9.9549
11.5768 11.5768 19.1261 19.1261 22.7728 22.7728 23.6179 23.6179
24.9063 24.9063
k = 0.5450-0.0260 0.5389 ( 766 PWs) bands (ev):
-1.0731 -1.0731 0.3939 0.3939 0.9403 0.9403 1.2405 1.2405
1.5011 1.5011 4.1621 4.1621 9.5784 9.5784 9.9826 9.9826
11.4602 11.4602 19.2177 19.2177 22.8193 22.8193 23.5955 23.5955
24.7755 24.7755
k = 0.5400-0.0231 0.5471 ( 766 PWs) bands (ev):
-1.0718 -1.0718 0.3960 0.3960 0.9348 0.9348 1.2416 1.2416
1.4997 1.4997 4.1734 4.1734 9.6158 9.6158 10.0102 10.0102
11.3454 11.3454 19.3033 19.3033 22.8703 22.8703 23.5721 23.5721
24.6494 24.6494
k = 0.5350-0.0202 0.5552 ( 763 PWs) bands (ev):
-1.0706 -1.0706 0.3980 0.3980 0.9300 0.9300 1.2424 1.2424
1.4984 1.4984 4.1842 4.1842 9.6551 9.6551 10.0370 10.0370
11.2340 11.2340 19.3819 19.3819 22.9259 22.9259 23.5480 23.5480
24.5289 24.5289
k = 0.5300-0.0173 0.5634 ( 763 PWs) bands (ev):
-1.0695 -1.0695 0.3998 0.3998 0.9257 0.9257 1.2429 1.2429
1.4974 1.4974 4.1943 4.1943 9.6961 9.6961 10.0616 10.0616
11.1277 11.1277 19.4520 19.4520 22.9856 22.9856 23.5231 23.5231
24.4153 24.4153
k = 0.5250-0.0144 0.5715 ( 763 PWs) bands (ev):
-1.0686 -1.0686 0.4014 0.4014 0.9221 0.9221 1.2431 1.2431
1.4965 1.4965 4.2034 4.2034 9.7384 9.7384 10.0823 10.0823
11.0292 11.0292 19.5128 19.5128 23.0486 23.0486 23.4979 23.4979
24.3100 24.3100
k = 0.5200-0.0115 0.5797 ( 764 PWs) bands (ev):
-1.0679 -1.0679 0.4027 0.4027 0.9191 0.9191 1.2432 1.2432
1.4958 1.4958 4.2114 4.2114 9.7819 9.7819 10.0967 10.0967
10.9415 10.9415 19.5634 19.5634 23.1132 23.1132 23.4727 23.4727
24.2147 24.2147
k = 0.5150-0.0087 0.5879 ( 766 PWs) bands (ev):
-1.0672 -1.0672 0.4037 0.4037 0.9168 0.9168 1.2431 1.2431
1.4953 1.4953 4.2180 4.2180 9.8258 9.8258 10.1019 10.1019
10.8686 10.8686 19.6032 19.6032 23.1766 23.1766 23.4484 23.4484
24.1321 24.1321
k = 0.5100-0.0058 0.5960 ( 772 PWs) bands (ev):
-1.0668 -1.0668 0.4044 0.4044 0.9152 0.9152 1.2430 1.2430
1.4949 1.4949 4.2229 4.2229 9.8686 9.8686 10.0955 10.0955
10.8146 10.8146 19.6316 19.6316 23.2332 23.2332 23.4268 23.4268
24.0659 24.0659
k = 0.5050-0.0029 0.6042 ( 772 PWs) bands (ev):
-1.0666 -1.0666 0.4049 0.4049 0.9143 0.9143 1.2429 1.2429
1.4947 1.4947 4.2261 4.2261 9.9059 9.9059 10.0796 10.0796
10.7826 10.7826 19.6487 19.6487 23.2737 23.2737 23.4122 23.4122
24.0216 24.0216
k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev):
-1.0665 -1.0665 0.4050 0.4050 0.9140 0.9140 1.2428 1.2428
1.4947 1.4947 4.2272 4.2272 9.9238 9.9238 10.0683 10.0683
10.7724 10.7724 19.6543 19.6543 23.2876 23.2876 23.4083 23.4083
24.0055 24.0055
k = 0.5000 0.0000 0.6124 ( 772 PWs) bands (ev):
-1.0665 -1.0665 0.4050 0.4050 0.9140 0.9140 1.2428 1.2428
1.4947 1.4947 4.2272 4.2272 9.9238 9.9238 10.0683 10.0683
10.7724 10.7724 19.6543 19.6543 23.2876 23.2876 23.4083 23.4083
24.0055 24.0055
k = 0.5000 0.0058 0.6042 ( 772 PWs) bands (ev):
-1.0657 -1.0657 0.4050 0.4050 0.9138 0.9138 1.2428 1.2428
1.4944 1.4944 4.2242 4.2242 9.9183 9.9183 10.0622 10.0622
10.7900 10.7900 19.6554 19.6554 23.2729 23.2729 23.4011 23.4011
24.0264 24.0264
k = 0.5000 0.0115 0.5960 ( 772 PWs) bands (ev):
-1.0635 -1.0635 0.4047 0.4047 0.9133 0.9133 1.2427 1.2427
1.4935 1.4935 4.2152 4.2152 9.8962 9.8962 10.0532 10.0532
10.8391 10.8391 19.6586 19.6586 23.2247 23.2247 23.3903 23.3903
24.0821 24.0821
k = 0.5000 0.0173 0.5879 ( 768 PWs) bands (ev):
-1.0598 -1.0598 0.4044 0.4044 0.9124 0.9124 1.2425 1.2425
1.4921 1.4921 4.2002 4.2002 9.8503 9.8503 10.0567 10.0567
10.9116 10.9116 19.6641 19.6641 23.1461 23.1461 23.3865 23.3865
24.1592 24.1592
k = 0.5000 0.0231 0.5797 ( 766 PWs) bands (ev):
-1.0545 -1.0545 0.4039 0.4039 0.9112 0.9112 1.2423 1.2423
1.4902 1.4902 4.1795 4.1795 9.7847 9.7847 10.0757 10.0757
10.9998 10.9998 19.6718 19.6718 23.0480 23.0480 23.3888 23.3888
24.2471 24.2471
k = 0.5000 0.0289 0.5715 ( 764 PWs) bands (ev):
-1.0479 -1.0479 0.4032 0.4032 0.9097 0.9097 1.2420 1.2420
1.4877 1.4877 4.1531 4.1531 9.7076 9.7076 10.1071 10.1071
11.0986 11.0986 19.6818 19.6818 22.9385 22.9385 23.3952 23.3952
24.3397 24.3397
k = 0.5000 0.0346 0.5634 ( 764 PWs) bands (ev):
-1.0397 -1.0397 0.4024 0.4024 0.9078 0.9078 1.2415 1.2415
1.4848 1.4848 4.1214 4.1214 9.6245 9.6245 10.1485 10.1485
11.2044 11.2044 19.6940 19.6940 22.8222 22.8222 23.4043 23.4043
24.4331 24.4331
k = 0.5000 0.0404 0.5552 ( 764 PWs) bands (ev):
-1.0300 -1.0300 0.4014 0.4014 0.9055 0.9055 1.2409 1.2409
1.4814 1.4814 4.0845 4.0845 9.5386 9.5386 10.1984 10.1984
11.3153 11.3153 19.7087 19.7087 22.7016 22.7016 23.4158 23.4158
24.5251 24.5251
k = 0.5000 0.0462 0.5471 ( 764 PWs) bands (ev):
-1.0189 -1.0189 0.4002 0.4002 0.9028 0.9028 1.2402 1.2402
1.4776 1.4776 4.0427 4.0427 9.4517 9.4517 10.2561 10.2561
11.4297 11.4297 19.7257 19.7257 22.5781 22.5781 23.4293 23.4293
24.6140 24.6140
k = 0.5000 0.0520 0.5389 ( 768 PWs) bands (ev):
-1.0063 -1.0063 0.3989 0.3989 0.8997 0.8997 1.2394 1.2394
1.4736 1.4736 3.9964 3.9964 9.3650 9.3650 10.3209 10.3209
11.5468 11.5468 19.7453 19.7453 22.4525 22.4525 23.4446 23.4446
24.6986 24.6986
k = 0.5000 0.0577 0.5307 ( 768 PWs) bands (ev):
-0.9923 -0.9923 0.3975 0.3975 0.8962 0.8962 1.2384 1.2384
1.4693 1.4693 3.9459 3.9459 9.2790 9.2790 10.3924 10.3924
11.6657 11.6657 19.7676 19.7676 22.3257 22.3257 23.4616 23.4616
24.7779 24.7779
k = 0.5000 0.0635 0.5226 ( 768 PWs) bands (ev):
-0.9768 -0.9768 0.3958 0.3958 0.8924 0.8924 1.2372 1.2372
1.4648 1.4648 3.8915 3.8915 9.1944 9.1944 10.4702 10.4702
11.7860 11.7860 19.7927 19.7927 22.1979 22.1979 23.4801 23.4801
24.8509 24.8509
k = 0.5000 0.0693 0.5144 ( 766 PWs) bands (ev):
-0.9598 -0.9598 0.3940 0.3940 0.8881 0.8881 1.2359 1.2359
1.4602 1.4602 3.8336 3.8336 9.1115 9.1115 10.5539 10.5539
11.9071 11.9071 19.8206 19.8206 22.0696 22.0696 23.5001 23.5001
24.9169 24.9169
k = 0.5000 0.0751 0.5062 ( 766 PWs) bands (ev):
-0.9414 -0.9414 0.3921 0.3921 0.8834 0.8834 1.2344 1.2344
1.4556 1.4556 3.7723 3.7723 9.0304 9.0304 10.6430 10.6430
12.0286 12.0286 19.8515 19.8515 21.9410 21.9410 23.5214 23.5214
24.9751 24.9751
k = 0.5000 0.0808 0.4981 ( 768 PWs) bands (ev):
-0.9216 -0.9216 0.3900 0.3900 0.8782 0.8782 1.2327 1.2327
1.4509 1.4509 3.7082 3.7082 8.9514 8.9514 10.7372 10.7372
12.1502 12.1502 19.8855 19.8855 21.8121 21.8121 23.5439 23.5439
25.0248 25.0248
k = 0.5000 0.0866 0.4899 ( 768 PWs) bands (ev):
-0.9003 -0.9003 0.3877 0.3877 0.8726 0.8726 1.2308 1.2308
1.4464 1.4464 3.6413 3.6413 8.8745 8.8745 10.8363 10.8363
12.2715 12.2715 19.9227 19.9227 21.6832 21.6832 23.5674 23.5674
25.0656 25.0656
k = 0.5000 0.0924 0.4817 ( 770 PWs) bands (ev):
-0.8777 -0.8777 0.3852 0.3852 0.8665 0.8665 1.2288 1.2288
1.4420 1.4420 3.5722 3.5722 8.8000 8.8000 10.9397 10.9397
12.3922 12.3922 19.9632 19.9632 21.5545 21.5545 23.5917 23.5917
25.0971 25.0971
k = 0.5000 0.0981 0.4736 ( 776 PWs) bands (ev):
-0.8537 -0.8537 0.3826 0.3826 0.8599 0.8599 1.2265 1.2265
1.4378 1.4378 3.5008 3.5008 8.7277 8.7277 11.0473 11.0473
12.5120 12.5120 20.0073 20.0073 21.4260 21.4260 23.6167 23.6167
25.1187 25.1187
k = 0.5000 0.1039 0.4654 ( 772 PWs) bands (ev):
-0.8282 -0.8282 0.3798 0.3798 0.8529 0.8529 1.2242 1.2242
1.4339 1.4339 3.4278 3.4278 8.6579 8.6579 11.1587 11.1587
12.6307 12.6307 20.0549 20.0549 21.2979 21.2979 23.6425 23.6425
25.1307 25.1307
k = 0.5000 0.1097 0.4572 ( 772 PWs) bands (ev):
-0.8014 -0.8014 0.3769 0.3769 0.8454 0.8454 1.2218 1.2218
1.4302 1.4302 3.3532 3.3532 8.5906 8.5906 11.2736 11.2736
12.7478 12.7478 20.1061 20.1061 21.1703 21.1703 23.6685 23.6685
25.1328 25.1328
k = 0.5000 0.1155 0.4491 ( 774 PWs) bands (ev):
-0.7732 -0.7732 0.3739 0.3739 0.8374 0.8374 1.2193 1.2193
1.4268 1.4268 3.2772 3.2772 8.5256 8.5256 11.3918 11.3918
12.8632 12.8632 20.1608 20.1608 21.0433 21.0433 23.6948 23.6948
25.1253 25.1253
k = 0.5000 0.1212 0.4409 ( 768 PWs) bands (ev):
-0.7437 -0.7437 0.3707 0.3707 0.8291 0.8291 1.2167 1.2167
1.4237 1.4237 3.2001 3.2001 8.4632 8.4632 11.5129 11.5129
12.9766 12.9766 20.2191 20.2191 20.9175 20.9175 23.7212 23.7212
25.1086 25.1086
k = 0.5000 0.1270 0.4327 ( 770 PWs) bands (ev):
-0.7129 -0.7129 0.3674 0.3674 0.8203 0.8203 1.2141 1.2141
1.4209 1.4209 3.1221 3.1221 8.4032 8.4032 11.6367 11.6367
13.0876 13.0876 20.2799 20.2799 20.7934 20.7934 23.7473 23.7473
25.0829 25.0829
k = 0.5000 0.1328 0.4246 ( 770 PWs) bands (ev):
-0.6808 -0.6808 0.3639 0.3639 0.8111 0.8111 1.2116 1.2116
1.4184 1.4184 3.0434 3.0434 8.3457 8.3457 11.7629 11.7629
13.1960 13.1960 20.3408 20.3408 20.6738 20.6738 23.7730 23.7730
25.0492 25.0492
k = 0.5000 0.1386 0.4164 ( 766 PWs) bands (ev):
-0.6474 -0.6474 0.3604 0.3604 0.8016 0.8016 1.2090 1.2090
1.4162 1.4162 2.9642 2.9642 8.2906 8.2906 11.8913 11.8913
13.3017 13.3017 20.3885 20.3885 20.5723 20.5723 23.7981 23.7981
25.0080 25.0080
k = 0.5000 0.1443 0.4082 ( 764 PWs) bands (ev):
-0.6128 -0.6128 0.3568 0.3568 0.7918 0.7918 1.2065 1.2065
1.4142 1.4142 2.8846 2.8846 8.2380 8.2380 12.0216 12.0216
13.4043 13.4043 20.3595 20.3595 20.5523 20.5523 23.8222 23.8222
24.9602 24.9602
k = 0.5000 0.1501 0.4001 ( 772 PWs) bands (ev):
-0.5770 -0.5770 0.3530 0.3530 0.7817 0.7817 1.2040 1.2040
1.4125 1.4125 2.8047 2.8047 8.1876 8.1876 12.1534 12.1534
13.5036 13.5036 20.2563 20.2563 20.6110 20.6110 23.8450 23.8450
24.9068 24.9068
k = 0.5000 0.1559 0.3919 ( 772 PWs) bands (ev):
-0.5400 -0.5400 0.3491 0.3491 0.7716 0.7716 1.2016 1.2016
1.4110 1.4110 2.7249 2.7249 8.1397 8.1397 12.2867 12.2867
13.5995 13.5995 20.1380 20.1380 20.6899 20.6899 23.8664 23.8664
24.8486 24.8486
k = 0.5000 0.1617 0.3838 ( 772 PWs) bands (ev):
-0.5019 -0.5019 0.3452 0.3452 0.7614 0.7614 1.1991 1.1991
1.4097 1.4097 2.6453 2.6453 8.0942 8.0942 12.4212 12.4212
13.6917 13.6917 20.0163 20.0163 20.7768 20.7768 23.8858 23.8858
24.7868 24.7868
k = 0.5000 0.1674 0.3756 ( 770 PWs) bands (ev):
-0.4627 -0.4627 0.3413 0.3413 0.7513 0.7513 1.1968 1.1968
1.4086 1.4086 2.5659 2.5659 8.0510 8.0510 12.5564 12.5564
13.7802 13.7802 19.8939 19.8939 20.8694 20.8694 23.9030 23.9030
24.7224 24.7224
k = 0.5000 0.1732 0.3674 ( 772 PWs) bands (ev):
-0.4225 -0.4225 0.3374 0.3374 0.7412 0.7412 1.1943 1.1943
1.4076 1.4076 2.4871 2.4871 8.0100 8.0100 12.6921 12.6921
13.8648 13.8648 19.7714 19.7714 20.9667 20.9667 23.9173 23.9173
24.6564 24.6564
k = 0.5000 0.1790 0.3593 ( 770 PWs) bands (ev):
-0.3814 -0.3814 0.3334 0.3334 0.7315 0.7315 1.1918 1.1918
1.4068 1.4068 2.4088 2.4088 7.9714 7.9714 12.8281 12.8281
13.9454 13.9454 19.6492 19.6492 21.0683 21.0683 23.9283 23.9283
24.5901 24.5901
k = 0.5000 0.1848 0.3511 ( 774 PWs) bands (ev):
-0.3394 -0.3394 0.3294 0.3294 0.7221 0.7221 1.1891 1.1891
1.4061 1.4061 2.3313 2.3313 7.9349 7.9349 12.9640 12.9640
14.0218 14.0218 19.5276 19.5276 21.1737 21.1737 23.9352 23.9352
24.5246 24.5246
k = 0.5000 0.1905 0.3429 ( 774 PWs) bands (ev):
-0.2966 -0.2966 0.3255 0.3255 0.7132 0.7132 1.1861 1.1861
1.4054 1.4054 2.2549 2.2549 7.9007 7.9007 13.0994 13.0994
14.0941 14.0941 19.4068 19.4068 21.2827 21.2827 23.9371 23.9371
24.4613 24.4613
k = 0.5000 0.1963 0.3348 ( 774 PWs) bands (ev):
-0.2532 -0.2532 0.3216 0.3216 0.7049 0.7049 1.1828 1.1828
1.4048 1.4048 2.1797 2.1797 7.8686 7.8686 13.2340 13.2340
14.1621 14.1621 19.2871 19.2871 21.3949 21.3949 23.9333 23.9333
24.4014 24.4014
k = 0.5000 0.2021 0.3266 ( 772 PWs) bands (ev):
-0.2092 -0.2092 0.3179 0.3179 0.6973 0.6973 1.1791 1.1791
1.4042 1.4042 2.1060 2.1060 7.8387 7.8387 13.3673 13.3673
14.2258 14.2258 19.1688 19.1688 21.5099 21.5099 23.9227 23.9227
24.3462 24.3462
k = 0.5000 0.2078 0.3184 ( 772 PWs) bands (ev):
-0.1649 -0.1649 0.3142 0.3142 0.6907 0.6907 1.1746 1.1746
1.4035 1.4035 2.0341 2.0341 7.8108 7.8108 13.4988 13.4988
14.2852 14.2852 19.0521 19.0521 21.6272 21.6272 23.9047 23.9047
24.2968 24.2968
k = 0.5000 0.2136 0.3103 ( 772 PWs) bands (ev):
-0.1205 -0.1205 0.3107 0.3107 0.6852 0.6852 1.1692 1.1692
1.4029 1.4029 1.9643 1.9643 7.7850 7.7850 13.6279 13.6279
14.3403 14.3403 18.9374 18.9374 21.7463 21.7463 23.8792 23.8792
24.2535 24.2535
k = 0.5000 0.2194 0.3021 ( 776 PWs) bands (ev):
-0.0761 -0.0761 0.3073 0.3073 0.6810 0.6810 1.1627 1.1627
1.4020 1.4020 1.8970 1.8970 7.7613 7.7613 13.7540 13.7540
14.3911 14.3911 18.8252 18.8252 21.8665 21.8665 23.8468 23.8468
24.2157 24.2157
k = 0.5000 0.2252 0.2939 ( 776 PWs) bands (ev):
-0.0323 -0.0323 0.3042 0.3042 0.6784 0.6784 1.1547 1.1547
1.4011 1.4011 1.8328 1.8328 7.7396 7.7396 13.8765 13.8765
14.4377 14.4377 18.7161 18.7161 21.9874 21.9874 23.8090 23.8090
24.1824 24.1824
k = 0.5000 0.2309 0.2858 ( 776 PWs) bands (ev):
0.0107 0.0107 0.3013 0.3013 0.6776 0.6776 1.1447 1.1447
1.4000 1.4000 1.7723 1.7723 7.7198 7.7198 13.9946 13.9946
14.4800 14.4800 18.6107 18.6107 22.1081 22.1081 23.7676 23.7676
24.1518 24.1518
k = 0.5000 0.2367 0.2776 ( 776 PWs) bands (ev):
0.0524 0.0524 0.2988 0.2988 0.6790 0.6790 1.1323 1.1323
1.3985 1.3985 1.7162 1.7162 7.7020 7.7020 14.1072 14.1072
14.5182 14.5182 18.5099 18.5099 22.2279 22.2279 23.7241 23.7241
24.1226 24.1226
k = 0.5000 0.2425 0.2694 ( 778 PWs) bands (ev):
0.0920 0.0920 0.2967 0.2967 0.6831 0.6831 1.1169 1.1169
1.3967 1.3967 1.6653 1.6653 7.6862 7.6862 14.2133 14.2133
14.5523 14.5523 18.4146 18.4146 22.3458 22.3458 23.6799 23.6799
24.0938 24.0938
k = 0.5000 0.2483 0.2613 ( 778 PWs) bands (ev):
0.1289 0.1289 0.2951 0.2951 0.6902 0.6902 1.0980 1.0980
1.3945 1.3945 1.6205 1.6205 7.6722 7.6722 14.3118 14.3118
14.5822 14.5822 18.3258 18.3258 22.4609 22.4609 23.6356 23.6356
24.0648 24.0648
k = 0.5000 0.2540 0.2531 ( 778 PWs) bands (ev):
0.1622 0.1622 0.2942 0.2942 0.7008 0.7008 1.0753 1.0753
1.3919 1.3919 1.5825 1.5825 7.6602 7.6602 14.4012 14.4012
14.6083 14.6083 18.2448 18.2448 22.5718 22.5718 23.5918 23.5918
24.0358 24.0358
k = 0.5000 0.2598 0.2449 ( 776 PWs) bands (ev):
0.1909 0.1909 0.2942 0.2942 0.7152 0.7152 1.0488 1.0488
1.3888 1.3888 1.5517 1.5517 7.6501 7.6501 14.4803 14.4803
14.6305 14.6305 18.1729 18.1729 22.6772 22.6772 23.5485 23.5485
24.0074 24.0074
k = 0.5000 0.2656 0.2368 ( 778 PWs) bands (ev):
0.2140 0.2140 0.2953 0.2953 0.7335 0.7335 1.0190 1.0190
1.3854 1.3854 1.5280 1.5280 7.6418 7.6418 14.5473 14.5473
14.6490 14.6490 18.1115 18.1115 22.7750 22.7750 23.5059 23.5059
23.9807 23.9807
k = 0.5000 0.2714 0.2286 ( 778 PWs) bands (ev):
0.2310 0.2310 0.2976 0.2976 0.7553 0.7553 0.9872 0.9872
1.3821 1.3821 1.5109 1.5109 7.6353 7.6353 14.6001 14.6001
14.6644 14.6644 18.0619 18.0619 22.8626 22.8626 23.4646 23.4646
23.9573 23.9573
k = 0.5000 0.2771 0.2205 ( 778 PWs) bands (ev):
0.2418 0.2418 0.3007 0.3007 0.7792 0.7792 0.9555 0.9555
1.3794 1.3794 1.4996 1.4996 7.6307 7.6307 14.6367 14.6367
14.6776 14.6776 18.0254 18.0254 22.9355 22.9355 23.4269 23.4269
23.9388 23.9388
k = 0.5000 0.2829 0.2123 ( 778 PWs) bands (ev):
0.2475 0.2475 0.3034 0.3034 0.8012 0.8012 0.9285 0.9285
1.3775 1.3775 1.4932 1.4932 7.6280 7.6280 14.6560 14.6560
14.6886 14.6886 18.0030 18.0030 22.9863 22.9863 23.3982 23.3982
23.9270 23.9270
k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev):
0.2493 0.2493 0.3045 0.3045 0.8115 0.8115 0.9165 0.9165
1.3769 1.3769 1.4911 1.4911 7.6271 7.6271 14.6615 14.6615
14.6933 14.6933 17.9955 17.9955 23.0051 23.0051 23.3869 23.3869
23.9229 23.9229
k = 0.5000 0.2887 0.2041 ( 778 PWs) bands (ev):
0.2493 0.2493 0.3045 0.3045 0.8115 0.8115 0.9165 0.9165
1.3769 1.3769 1.4911 1.4911 7.6271 7.6271 14.6615 14.6615
14.6933 14.6933 17.9955 17.9955 23.0051 23.0051 23.3869 23.3869
23.9229 23.9229
k = 0.4971 0.2870 0.2136 ( 778 PWs) bands (ev):
0.2475 0.2475 0.3034 0.3034 0.8011 0.8011 0.9287 0.9287
1.3775 1.3775 1.4932 1.4932 7.6280 7.6280 14.6560 14.6560
14.6885 14.6885 18.0031 18.0031 22.9861 22.9861 23.3983 23.3983
23.9270 23.9270
k = 0.4942 0.2853 0.2231 ( 778 PWs) bands (ev):
0.2417 0.2417 0.3007 0.3007 0.7788 0.7788 0.9559 0.9559
1.3794 1.3794 1.4997 1.4997 7.6308 7.6308 14.6363 14.6363
14.6774 14.6774 18.0258 18.0258 22.9346 22.9346 23.4274 23.4274
23.9390 23.9390
k = 0.4913 0.2836 0.2326 ( 778 PWs) bands (ev):
0.2307 0.2307 0.2976 0.2976 0.7548 0.7548 0.9878 0.9878
1.3822 1.3822 1.5112 1.5112 7.6354 7.6354 14.5991 14.5991
14.6642 14.6642 18.0628 18.0628 22.8609 22.8609 23.4655 23.4655
23.9577 23.9577
k = 0.4884 0.2820 0.2421 ( 780 PWs) bands (ev):
0.2134 0.2134 0.2952 0.2952 0.7329 0.7329 1.0199 1.0199
1.3855 1.3855 1.5285 1.5285 7.6420 7.6420 14.5451 14.5451
14.6489 14.6489 18.1130 18.1130 22.7724 22.7724 23.5071 23.5071
23.9814 23.9814
k = 0.4855 0.2803 0.2516 ( 779 PWs) bands (ev):
0.1899 0.1899 0.2942 0.2942 0.7146 0.7146 1.0498 1.0498
1.3889 1.3889 1.5526 1.5526 7.6504 7.6504 14.4770 14.4770
14.6306 14.6306 18.1752 18.1752 22.6736 22.6736 23.5500 23.5500
24.0084 24.0084
k = 0.4826 0.2786 0.2611 ( 777 PWs) bands (ev):
0.1608 0.1608 0.2942 0.2942 0.7003 0.7003 1.0763 1.0763
1.3920 1.3920 1.5839 1.5839 7.6607 7.6607 14.3963 14.3963
14.6090 14.6090 18.2478 18.2478 22.5673 22.5673 23.5937 23.5937
24.0370 24.0370
k = 0.4797 0.2769 0.2706 ( 777 PWs) bands (ev):
0.1271 0.1271 0.2952 0.2952 0.6898 0.6898 1.0989 1.0989
1.3948 1.3948 1.6225 1.6225 7.6729 7.6729 14.3046 14.3046
14.5838 14.5838 18.3293 18.3293 22.4555 22.4555 23.6379 23.6379
24.0663 24.0663
k = 0.4767 0.2752 0.2801 ( 777 PWs) bands (ev):
0.0898 0.0898 0.2969 0.2969 0.6829 0.6829 1.1177 1.1177
1.3970 1.3970 1.6679 1.6679 7.6870 7.6870 14.2033 14.2033
14.5555 14.5555 18.4183 18.4183 22.3398 22.3398 23.6826 23.6826
24.0955 24.0955
k = 0.4738 0.2736 0.2896 ( 775 PWs) bands (ev):
0.0496 0.0496 0.2991 0.2991 0.6790 0.6790 1.1328 1.1328
1.3990 1.3990 1.7194 1.7194 7.7031 7.7031 14.0937 14.0937
14.5240 14.5240 18.5133 18.5133 22.2215 22.2215 23.7274 23.7274
24.1248 24.1248
k = 0.4709 0.2719 0.2991 ( 775 PWs) bands (ev):
0.0075 0.0075 0.3017 0.3017 0.6779 0.6779 1.1450 1.1450
1.4006 1.4006 1.7762 1.7762 7.7211 7.7211 13.9769 13.9769
14.4894 14.4894 18.6129 18.6129 22.1018 22.1018 23.7713 23.7713
24.1547 24.1547
k = 0.4680 0.2702 0.3086 ( 774 PWs) bands (ev):
-0.0360 -0.0360 0.3047 0.3047 0.6789 0.6789 1.1546 1.1546
1.4020 1.4020 1.8374 1.8374 7.7412 7.7412 13.8539 13.8539
14.4518 14.4518 18.7157 18.7157 21.9819 21.9819 23.8131 23.8131
24.1864 24.1864
k = 0.4651 0.2685 0.3181 ( 778 PWs) bands (ev):
-0.0804 -0.0804 0.3079 0.3079 0.6819 0.6819 1.1621 1.1621
1.4032 1.4032 1.9022 1.9022 7.7632 7.7632 13.7254 13.7254
14.4114 14.4114 18.8203 18.8203 21.8630 21.8630 23.8510 23.8510
24.2217 24.2217
k = 0.4622 0.2669 0.3275 ( 776 PWs) bands (ev):
-0.1252 -0.1252 0.3113 0.3113 0.6866 0.6866 1.1681 1.1681
1.4044 1.4044 1.9700 1.9700 7.7873 7.7873 13.5924 13.5924
14.3685 14.3685 18.9255 18.9255 21.7464 21.7464 23.8832 23.8832
24.2623 24.2623
k = 0.4593 0.2652 0.3370 ( 778 PWs) bands (ev):
-0.1702 -0.1702 0.3150 0.3150 0.6927 0.6927 1.1727 1.1727
1.4056 1.4056 2.0404 2.0404 7.8134 7.8134 13.4554 13.4554
14.3233 14.3233 19.0295 19.0295 21.6334 21.6334 23.9083 23.9083
24.3098 24.3098
k = 0.4564 0.2635 0.3465 ( 774 PWs) bands (ev):
-0.2150 -0.2150 0.3187 0.3187 0.7000 0.7000 1.1764 1.1764
1.4069 1.4069 2.1128 2.1128 7.8417 7.8417 13.3150 13.3150
14.2759 14.2759 19.1308 19.1308 21.5257 21.5257 23.9256 23.9256
24.3649 24.3649
k = 0.4535 0.2618 0.3560 ( 772 PWs) bands (ev):
-0.2595 -0.2595 0.3226 0.3226 0.7085 0.7085 1.1792 1.1792
1.4083 1.4083 2.1870 2.1870 7.8720 7.8720 13.1716 13.1716
14.2265 14.2265 19.2273 19.2273 21.4251 21.4251 23.9354 23.9354
24.4272 24.4272
k = 0.4506 0.2601 0.3655 ( 774 PWs) bands (ev):
-0.3036 -0.3036 0.3265 0.3265 0.7178 0.7178 1.1813 1.1813
1.4098 1.4098 2.2626 2.2626 7.9045 7.9045 13.0256 13.0256
14.1753 14.1753 19.3165 19.3165 21.3340 21.3340 23.9387 23.9387
24.4960 24.4960
k = 0.4477 0.2585 0.3750 ( 774 PWs) bands (ev):
-0.3470 -0.3470 0.3304 0.3304 0.7280 0.7280 1.1829 1.1829
1.4115 1.4115 2.3394 2.3394 7.9392 7.9392 12.8777 12.8777
14.1224 14.1224 19.3956 19.3956 21.2552 21.2552 23.9363 23.9363
24.5703 24.5703
k = 0.4448 0.2568 0.3845 ( 774 PWs) bands (ev):
-0.3897 -0.3897 0.3342 0.3342 0.7389 0.7389 1.1840 1.1840
1.4133 1.4133 2.4171 2.4171 7.9761 7.9761 12.7279 12.7279
14.0681 14.0681 19.4613 19.4613 21.1918 21.1918 23.9294 23.9294
24.6491 24.6491
k = 0.4419 0.2551 0.3940 ( 774 PWs) bands (ev):
-0.4316 -0.4316 0.3380 0.3380 0.7505 0.7505 1.1848 1.1848
1.4155 1.4155 2.4956 2.4956 8.0153 8.0153 12.5768 12.5768
14.0127 14.0127 19.5102 19.5102 21.1471 21.1471 23.9188 23.9188
24.7315 24.7315
k = 0.4390 0.2534 0.4035 ( 774 PWs) bands (ev):
-0.4725 -0.4725 0.3418 0.3418 0.7626 0.7626 1.1852 1.1852
1.4178 1.4178 2.5746 2.5746 8.0567 8.0567 12.4247 12.4247
13.9561 13.9561 19.5392 19.5392 21.1238 21.1238 23.9053 23.9053
24.8168 24.8168
k = 0.4360 0.2518 0.4130 ( 771 PWs) bands (ev):
-0.5125 -0.5125 0.3454 0.3454 0.7753 0.7753 1.1855 1.1855
1.4204 1.4204 2.6540 2.6540 8.1004 8.1004 12.2718 12.2718
13.8987 13.8987 19.5468 19.5468 21.1236 21.1236 23.8894 23.8894
24.9044 24.9044
k = 0.4331 0.2501 0.4225 ( 773 PWs) bands (ev):
-0.5516 -0.5516 0.3488 0.3488 0.7883 0.7883 1.1855 1.1855
1.4233 1.4233 2.7336 2.7336 8.1464 8.1464 12.1184 12.1184
13.8407 13.8407 19.5332 19.5332 21.1457 21.1457 23.8718 23.8718
24.9936 24.9936
k = 0.4302 0.2484 0.4320 ( 773 PWs) bands (ev):
-0.5896 -0.5896 0.3520 0.3520 0.8017 0.8017 1.1854 1.1854
1.4265 1.4265 2.8133 2.8133 8.1948 8.1948 11.9648 11.9648
13.7821 13.7821 19.5004 19.5004 21.1881 21.1881 23.8530 23.8530
25.0841 25.0841
k = 0.4273 0.2467 0.4415 ( 772 PWs) bands (ev):
-0.6265 -0.6265 0.3551 0.3551 0.8154 0.8154 1.1851 1.1851
1.4300 1.4300 2.8928 2.8928 8.2455 8.2455 11.8114 11.8114
13.7231 13.7231 19.4516 19.4516 21.2473 21.2473 23.8334 23.8334
25.1752 25.1752
k = 0.4244 0.2450 0.4510 ( 772 PWs) bands (ev):
-0.6623 -0.6623 0.3579 0.3579 0.8293 0.8293 1.1848 1.1848
1.4338 1.4338 2.9720 2.9720 8.2986 8.2986 11.6583 11.6583
13.6640 13.6640 19.3903 19.3903 21.3192 21.3192 23.8136 23.8136
25.2666 25.2666
k = 0.4215 0.2434 0.4605 ( 770 PWs) bands (ev):
-0.6970 -0.6970 0.3605 0.3605 0.8434 0.8434 1.1844 1.1844
1.4379 1.4379 3.0506 3.0506 8.3541 8.3541 11.5059 11.5059
13.6049 13.6049 19.3199 19.3199 21.4005 21.4005 23.7938 23.7938
25.3578 25.3578
k = 0.4186 0.2417 0.4700 ( 771 PWs) bands (ev):
-0.7305 -0.7305 0.3628 0.3628 0.8576 0.8576 1.1839 1.1839
1.4422 1.4422 3.1286 3.1286 8.4120 8.4120 11.3545 11.3545
13.5458 13.5458 19.2428 19.2428 21.4879 21.4879 23.7747 23.7747
25.4485 25.4485
k = 0.4157 0.2400 0.4795 ( 771 PWs) bands (ev):
-0.7629 -0.7629 0.3649 0.3649 0.8718 0.8718 1.1835 1.1835
1.4468 1.4468 3.2056 3.2056 8.4722 8.4722 11.2044 11.2044
13.4870 13.4870 19.1614 19.1614 21.5789 21.5789 23.7565 23.7565
25.5381 25.5381
k = 0.4128 0.2383 0.4889 ( 769 PWs) bands (ev):
-0.7940 -0.7940 0.3667 0.3667 0.8860 0.8860 1.1831 1.1831
1.4517 1.4517 3.2816 3.2816 8.5348 8.5348 11.0560 11.0560
13.4286 13.4286 19.0772 19.0772 21.6714 21.6714 23.7398 23.7398
25.6265 25.6265
k = 0.4099 0.2366 0.4984 ( 771 PWs) bands (ev):
-0.8240 -0.8240 0.3682 0.3682 0.9000 0.9000 1.1828 1.1828
1.4568 1.4568 3.3561 3.3561 8.5996 8.5996 10.9096 10.9096
13.3706 13.3706 18.9914 18.9914 21.7635 21.7635 23.7249 23.7249
25.7132 25.7132
k = 0.4070 0.2350 0.5079 ( 771 PWs) bands (ev):
-0.8528 -0.8528 0.3694 0.3694 0.9138 0.9138 1.1826 1.1826
1.4621 1.4621 3.4291 3.4291 8.6667 8.6667 10.7656 10.7656
13.3134 13.3134 18.9050 18.9050 21.8540 21.8540 23.7124 23.7124
25.7979 25.7979
k = 0.4041 0.2333 0.5174 ( 771 PWs) bands (ev):
-0.8804 -0.8804 0.3703 0.3703 0.9275 0.9275 1.1824 1.1824
1.4677 1.4677 3.5002 3.5002 8.7359 8.7359 10.6245 10.6245
13.2569 13.2569 18.8187 18.8187 21.9413 21.9413 23.7026 23.7026
25.8803 25.8803
k = 0.4012 0.2316 0.5269 ( 769 PWs) bands (ev):
-0.9068 -0.9068 0.3710 0.3710 0.9408 0.9408 1.1826 1.1826
1.4734 1.4734 3.5692 3.5692 8.8071 8.8071 10.4869 10.4869
13.2013 13.2013 18.7329 18.7329 22.0246 22.0246 23.6959 23.6959
25.9601 25.9601
k = 0.3983 0.2299 0.5364 ( 771 PWs) bands (ev):
-0.9319 -0.9319 0.3714 0.3714 0.9536 0.9536 1.1828 1.1828
1.4792 1.4792 3.6356 3.6356 8.8799 8.8799 10.3532 10.3532
13.1467 13.1467 18.6482 18.6482 22.1028 22.1028 23.6928 23.6928
26.0371 26.0371
k = 0.3953 0.2283 0.5459 ( 771 PWs) bands (ev):
-0.9559 -0.9559 0.3715 0.3715 0.9661 0.9661 1.1834 1.1834
1.4851 1.4851 3.6992 3.6992 8.9541 8.9541 10.2243 10.2243
13.0932 13.0932 18.5648 18.5648 22.1751 22.1751 23.6934 23.6934
26.1110 26.1110
k = 0.3924 0.2266 0.5554 ( 767 PWs) bands (ev):
-0.9786 -0.9786 0.3715 0.3715 0.9780 0.9780 1.1843 1.1843
1.4912 1.4912 3.7597 3.7597 9.0290 9.0290 10.1012 10.1012
13.0409 13.0409 18.4830 18.4830 22.2410 22.2410 23.6980 23.6980
26.1817 26.1817
k = 0.3895 0.2249 0.5649 ( 767 PWs) bands (ev):
-1.0001 -1.0001 0.3712 0.3712 0.9892 0.9892 1.1855 1.1855
1.4972 1.4972 3.8167 3.8167 9.1034 9.1034 9.9855 9.9855
12.9900 12.9900 18.4031 18.4031 22.2998 22.2998 23.7065 23.7065
26.2490 26.2490
k = 0.3866 0.2232 0.5744 ( 767 PWs) bands (ev):
-1.0204 -1.0204 0.3707 0.3707 0.9997 0.9997 1.1870 1.1870
1.5033 1.5033 3.8697 3.8697 9.1750 9.1750 9.8799 9.8799
12.9404 12.9404 18.3252 18.3252 22.3515 22.3515 23.7187 23.7187
26.3128 26.3128
k = 0.3837 0.2215 0.5839 ( 769 PWs) bands (ev):
-1.0396 -1.0396 0.3700 0.3700 1.0095 1.0095 1.1890 1.1890
1.5092 1.5092 3.9183 3.9183 9.2391 9.2391 9.7895 9.7895
12.8922 12.8922 18.2495 18.2495 22.3961 22.3961 23.7342 23.7342
26.3729 26.3729
k = 0.3808 0.2199 0.5934 ( 766 PWs) bands (ev):
-1.0574 -1.0574 0.3692 0.3692 1.0184 1.0184 1.1916 1.1916
1.5152 1.5152 3.9622 3.9622 9.2859 9.2859 9.7246 9.7246
12.8457 12.8457 18.1760 18.1760 22.4340 22.4340 23.7524 23.7524
26.4294 26.4294
k = 0.3779 0.2182 0.6029 ( 762 PWs) bands (ev):
-1.0742 -1.0742 0.3682 0.3682 1.0264 1.0264 1.1945 1.1945
1.5211 1.5211 4.0008 4.0008 9.2997 9.2997 9.7012 9.7012
12.8008 12.8008 18.1050 18.1050 22.4656 22.4656 23.7727 23.7727
26.4823 26.4823
k = 0.3750 0.2165 0.6124 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.6250-0.0722 0.4082 ( 762 PWs) bands (ev):
-1.0897 -1.0897 0.3670 0.3670 1.0335 1.0335 1.1979 1.1979
1.5268 1.5268 4.0338 4.0338 9.2744 9.2744 9.7258 9.7258
12.7576 12.7576 18.0366 18.0366 22.4916 22.4916 23.7938 23.7938
26.5314 26.5314
k = 0.6200-0.0808 0.4082 ( 762 PWs) bands (ev):
-1.1151 -1.1151 0.3648 0.3648 1.0447 1.0447 1.2043 1.2043
1.5365 1.5365 4.0842 4.0842 9.2048 9.2048 9.8053 9.8053
12.6856 12.6856 17.9206 17.9206 22.5303 22.5303 23.8302 23.8302
26.6123 26.6123
k = 0.6150-0.0895 0.4082 ( 770 PWs) bands (ev):
-1.1399 -1.1399 0.3623 0.3623 1.0557 1.0557 1.2107 1.2107
1.5461 1.5461 4.1321 4.1321 9.1367 9.1367 9.8888 9.8888
12.6151 12.6151 17.8036 17.8036 22.5659 22.5659 23.8661 23.8661
26.6918 26.6918
k = 0.6100-0.0981 0.4082 ( 770 PWs) bands (ev):
-1.1641 -1.1641 0.3596 0.3596 1.0666 1.0666 1.2174 1.2174
1.5558 1.5558 4.1774 4.1774 9.0707 9.0707 9.9762 9.9762
12.5463 12.5463 17.6857 17.6857 22.5984 22.5984 23.9013 23.9013
26.7696 26.7696
k = 0.6050-0.1068 0.4082 ( 764 PWs) bands (ev):
-1.1876 -1.1876 0.3567 0.3567 1.0772 1.0772 1.2242 1.2242
1.5655 1.5655 4.2202 4.2202 9.0068 9.0068 10.0670 10.0670
12.4794 12.4794 17.5671 17.5671 22.6278 22.6278 23.9357 23.9357
26.8455 26.8455
k = 0.6000-0.1155 0.4082 ( 764 PWs) bands (ev):
-1.2103 -1.2103 0.3535 0.3535 1.0876 1.0876 1.2310 1.2310
1.5751 1.5751 4.2605 4.2605 8.9450 8.9450 10.1608 10.1608
12.4145 12.4145 17.4477 17.4477 22.6541 22.6541 23.9692 23.9692
26.9190 26.9190
k = 0.5950-0.1241 0.4082 ( 764 PWs) bands (ev):
-1.2322 -1.2322 0.3502 0.3502 1.0976 1.0976 1.2378 1.2378
1.5846 1.5846 4.2983 4.2983 8.8857 8.8857 10.2572 10.2572
12.3519 12.3519 17.3279 17.3279 22.6773 22.6773 24.0017 24.0017
26.9899 26.9899
k = 0.5900-0.1328 0.4082 ( 764 PWs) bands (ev):
-1.2533 -1.2533 0.3468 0.3468 1.1073 1.1073 1.2446 1.2446
1.5939 1.5939 4.3338 4.3338 8.8287 8.8287 10.3558 10.3558
12.2916 12.2916 17.2079 17.2079 22.6976 22.6976 24.0332 24.0332
27.0577 27.0577
k = 0.5850-0.1415 0.4082 ( 764 PWs) bands (ev):
-1.2735 -1.2735 0.3433 0.3433 1.1166 1.1166 1.2514 1.2514
1.6031 1.6031 4.3668 4.3668 8.7743 8.7743 10.4562 10.4562
12.2337 12.2337 17.0880 17.0880 22.7151 22.7151 24.0634 24.0634
27.1221 27.1221
k = 0.5800-0.1501 0.4082 ( 764 PWs) bands (ev):
-1.2927 -1.2927 0.3398 0.3398 1.1255 1.1255 1.2581 1.2581
1.6121 1.6121 4.3975 4.3975 8.7225 8.7225 10.5578 10.5578
12.1785 12.1785 16.9684 16.9684 22.7299 22.7299 24.0924 24.0924
27.1829 27.1829
k = 0.5750-0.1588 0.4082 ( 768 PWs) bands (ev):
-1.3110 -1.3110 0.3362 0.3362 1.1340 1.1340 1.2646 1.2646
1.6208 1.6208 4.4260 4.4260 8.6734 8.6734 10.6601 10.6601
12.1261 12.1261 16.8497 16.8497 22.7419 22.7419 24.1201 24.1201
27.2395 27.2395
k = 0.5700-0.1674 0.4082 ( 768 PWs) bands (ev):
-1.3283 -1.3283 0.3326 0.3326 1.1419 1.1419 1.2711 1.2711
1.6292 1.6292 4.4523 4.4523 8.6270 8.6270 10.7626 10.7626
12.0765 12.0765 16.7322 16.7322 22.7520 22.7520 24.1463 24.1463
27.2917 27.2917
k = 0.5650-0.1761 0.4082 ( 768 PWs) bands (ev):
-1.3446 -1.3446 0.3292 0.3292 1.1495 1.1495 1.2773 1.2773
1.6372 1.6372 4.4764 4.4764 8.5835 8.5835 10.8645 10.8645
12.0300 12.0300 16.6167 16.6167 22.7601 22.7601 24.1711 24.1711
27.3391 27.3391
k = 0.5600-0.1848 0.4082 ( 768 PWs) bands (ev):
-1.3597 -1.3597 0.3258 0.3258 1.1565 1.1565 1.2833 1.2833
1.6449 1.6449 4.4985 4.4985 8.5429 8.5429 10.9651 10.9651
11.9866 11.9866 16.5036 16.5036 22.7663 22.7663 24.1943 24.1943
27.3814 27.3814
k = 0.5550-0.1934 0.4082 ( 768 PWs) bands (ev):
-1.3738 -1.3738 0.3226 0.3226 1.1629 1.1629 1.2889 1.2889
1.6522 1.6522 4.5185 4.5185 8.5053 8.5053 11.0635 11.0635
11.9465 11.9465 16.3937 16.3937 22.7710 22.7710 24.2159 24.2159
27.4185 27.4185
k = 0.5500-0.2021 0.4082 ( 768 PWs) bands (ev):
-1.3867 -1.3867 0.3196 0.3196 1.1689 1.1689 1.2943 1.2943
1.6590 1.6590 4.5366 4.5366 8.4707 8.4707 11.1589 11.1589
11.9098 11.9098 16.2878 16.2878 22.7744 22.7744 24.2358 24.2358
27.4503 27.4503
k = 0.5450-0.2107 0.4082 ( 772 PWs) bands (ev):
-1.3985 -1.3985 0.3167 0.3167 1.1742 1.1742 1.2993 1.2993
1.6652 1.6652 4.5528 4.5528 8.4392 8.4392 11.2500 11.2500
11.8767 11.8767 16.1868 16.1868 22.7766 22.7766 24.2539 24.2539
27.4770 27.4770
k = 0.5400-0.2194 0.4082 ( 772 PWs) bands (ev):
-1.4092 -1.4092 0.3140 0.3140 1.1791 1.1791 1.3039 1.3039
1.6710 1.6710 4.5672 4.5672 8.4109 8.4109 11.3358 11.3358
11.8475 11.8475 16.0918 16.0918 22.7779 22.7779 24.2703 24.2703
27.4990 27.4990
k = 0.5350-0.2281 0.4082 ( 772 PWs) bands (ev):
-1.4186 -1.4186 0.3116 0.3116 1.1833 1.1833 1.3080 1.3080
1.6761 1.6761 4.5797 4.5797 8.3858 8.3858 11.4148 11.4148
11.8225 11.8225 16.0039 16.0039 22.7786 22.7786 24.2849 24.2849
27.5168 27.5168
k = 0.5300-0.2367 0.4082 ( 772 PWs) bands (ev):
-1.4267 -1.4267 0.3095 0.3095 1.1870 1.1870 1.3117 1.3117
1.6807 1.6807 4.5905 4.5905 8.3640 8.3640 11.4854 11.4854
11.8021 11.8021 15.9242 15.9242 22.7788 22.7788 24.2976 24.2976
27.5308 27.5308
k = 0.5250-0.2454 0.4082 ( 772 PWs) bands (ev):
-1.4337 -1.4337 0.3077 0.3077 1.1901 1.1901 1.3149 1.3149
1.6846 1.6846 4.5996 4.5996 8.3454 8.3454 11.5456 11.5456
11.7871 11.7871 15.8539 15.8539 22.7787 22.7787 24.3084 24.3084
27.5417 27.5417
k = 0.5200-0.2540 0.4082 ( 774 PWs) bands (ev):
-1.4394 -1.4394 0.3062 0.3062 1.1927 1.1927 1.3175 1.3175
1.6878 1.6878 4.6070 4.6070 8.3301 8.3301 11.5932 11.5932
11.7786 11.7786 15.7943 15.7943 22.7784 22.7784 24.3173 24.3173
27.5499 27.5499
k = 0.5150-0.2627 0.4082 ( 780 PWs) bands (ev):
-1.4439 -1.4439 0.3049 0.3049 1.1946 1.1946 1.3195 1.3195
1.6903 1.6903 4.6126 4.6126 8.3183 8.3183 11.6263 11.6263
11.7772 11.7772 15.7465 15.7465 22.7780 22.7780 24.3242 24.3242
27.5558 27.5558
k = 0.5100-0.2714 0.4082 ( 778 PWs) bands (ev):
-1.4471 -1.4471 0.3040 0.3040 1.1961 1.1961 1.3210 1.3210
1.6921 1.6921 4.6167 4.6167 8.3098 8.3098 11.6455 11.6455
11.7815 11.7815 15.7115 15.7115 22.7777 22.7777 24.3293 24.3293
27.5599 27.5599
k = 0.5050-0.2800 0.4082 ( 774 PWs) bands (ev):
-1.4490 -1.4490 0.3036 0.3036 1.1969 1.1969 1.3220 1.3220
1.6932 1.6932 4.6192 4.6192 8.3047 8.3047 11.6544 11.6544
11.7873 11.7873 15.6902 15.6902 22.7775 22.7775 24.3322 24.3322
27.5624 27.5624
k = 0.5000-0.2887 0.4082 ( 774 PWs) bands (ev):
-1.4496 -1.4496 0.3034 0.3034 1.1972 1.1972 1.3223 1.3223
1.6936 1.6936 4.6200 4.6200 8.3030 8.3030 11.6568 11.6568
11.7897 11.7897 15.6830 15.6830 22.7774 22.7774 24.3332 24.3332
27.5631 27.5631
Writing output data file InN.save
init_run : 0.10s CPU 0.22s WALL ( 1 calls)
electrons : 34.06s CPU 35.34s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.01s CPU 0.02s WALL ( 1 calls)
Called by electrons:
c_bands : 34.06s CPU 35.34s 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 : 0.01s CPU 0.02s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.01s CPU 0.01s WALL ( 461 calls)
cegterg : 31.29s CPU 32.27s WALL ( 486 calls)
Called by sum_band:
Called by *egterg:
h_psi : 14.14s CPU 14.50s WALL ( 6289 calls)
s_psi : 0.50s CPU 0.53s WALL ( 6289 calls)
g_psi : 0.02s CPU 0.03s WALL ( 5342 calls)
cdiaghg : 16.40s CPU 16.93s WALL ( 5803 calls)
cegterg:over : 0.93s CPU 1.00s WALL ( 5342 calls)
cegterg:upda : 0.62s CPU 0.67s WALL ( 5342 calls)
cegterg:last : 0.38s CPU 0.35s WALL ( 1268 calls)
cdiaghg:chol : 0.79s CPU 0.85s WALL ( 5803 calls)
cdiaghg:inve : 0.34s CPU 0.37s WALL ( 5803 calls)
cdiaghg:para : 1.04s CPU 1.04s WALL ( 11606 calls)
Called by h_psi:
h_psi:vloc : 12.90s CPU 13.21s WALL ( 6289 calls)
h_psi:vnl : 1.22s CPU 1.27s WALL ( 6289 calls)
add_vuspsi : 0.60s CPU 0.68s WALL ( 6289 calls)
General routines
calbec : 0.60s CPU 0.57s WALL ( 6289 calls)
fft : 0.00s CPU 0.00s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 12.33s CPU 12.55s WALL ( 410212 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.10s CPU 0.10s WALL ( 922 calls)
Parallel routines
fft_scatter : 6.96s CPU 7.00s WALL ( 410235 calls)
PWSCF : 41.76s CPU 54.72s WALL
This run was terminated on: 19:36:35 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=