Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:27:59
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./Cs.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 20 20 5 1392 1392 215
Max 21 21 6 1401 1401 230
Sum 721 721 211 50205 50205 8031
bravais-lattice index = 14
lattice parameter (alat) = 5.6975 a.u.
unit-cell volume = 520.0971 (a.u.)^3
number of atoms/cell = 4
number of atomic types = 1
number of electrons = 36.00
number of Kohn-Sham states= 44
kinetic-energy cutoff = 80.0000 Ry
charge density cutoff = 320.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 5.697524 celldm(2)= 1.000000 celldm(3)= 3.247098
celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 3.247098 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.577350 -0.000000 )
b(2) = ( 0.000000 1.154701 -0.000000 )
b(3) = ( 0.000000 0.000000 0.307967 )
PseudoPot. # 1 for Cs read from file:
/users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF
MD5 check sum: b26d75608c6aa7e713949ad9f7a49707
Pseudo is Norm-conserving, Zval = 9.0
Generated using ONCVPSP code by D. R. Hamann
Using radial grid of 2414 points, 14 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
l(11) = 3
l(12) = 3
l(13) = 3
l(14) = 3
atomic species valence mass pseudopotential
Cs 9.00 132.90550 Cs( 1.00)
24 Sym. Ops., with inversion, found (12 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 )
( 1 1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 )
( -1 -1 0 )
( 0 0 -1 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 5 60 deg rotation - cryst. axis [0,0,1]
cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 )
( -1 0 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 6 60 deg rotation - cryst. axis [0,0,-1]
cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 )
( 1 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 )
( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 7 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 7) = ( 0 1 0 )
( -1 -1 0 )
( 0 0 1 )
cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 8 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 8) = ( -1 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 180 deg rotation - cryst. axis [1,-1,0]
cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 )
( -1 0 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 )
( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 10 180 deg rotation - cryst. axis [2,1,0]
cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 11 180 deg rotation - cryst. axis [0,1,0]
cryst. s(11) = ( -1 -1 0 )
( 0 1 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 = 12 180 deg rotation - cryst. axis [1,1,0]
cryst. s(12) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 13 inversion
cryst. s(13) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 14 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 15 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 )
( -1 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 16 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( -1 0 0 )
( 1 1 0 )
( 0 0 1 )
cart. s(16) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1]
cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 )
( 1 0 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 )
( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1]
cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 )
( -1 -1 0 ) ( 0.0000000 )
( 0 0 -1 ) ( -0.5000000 )
cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 ) ( -1.6235489 )
isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1]
cryst. s(19) = ( 0 -1 0 )
( 1 1 0 )
( 0 0 -1 )
cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 )
( -0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1]
cryst. s(20) = ( 1 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0]
cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 )
( 1 0 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0]
cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 )
( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -1.6235489 )
isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s(23) = ( 1 1 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s(24) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group D_6h(6/mmm)
there are 18 classes and 6 irreducible representations
the character table:
E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3
-C2 -3C2' -3C2'
G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73
G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73
G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00
G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73
G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73
G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00
-2S3 2S6 -2S6 s_h 3s_v 3s_d
-s_h -3s_v -3s_d
G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00
G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00
G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00
G_7- 1.73 -1.00 1.00 0.00 0.00 0.00
G_8- -1.73 -1.00 1.00 0.00 0.00 0.00
G_9- 0.00 2.00 -2.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C6 5 6
60 deg rotation - cryst. axis [0,0,1]
-2C6 -5 -6
60 deg rotation - cryst. axis [0,0,1] E
2C3 7 8
120 deg rotation - cryst. axis [0,0,1]
-2C3 -7 -8
120 deg rotation - cryst. axis [0,0,1] E
C2 -C2 2 -2
180 deg rotation - cart. axis [0,0,1]
3C2'-3C2' 4 -4 12 -11 11 -12
180 deg rotation - cart. axis [1,0,0]
3C2''-3C2' 3 -3 9 10 -10 -9
180 deg rotation - cart. axis [0,1,0]
i 13
inversion
-i -13
inversion E
2S3 17 18
inv. 60 deg rotation - cryst. axis [0,0,1]
-2S3 -17 -18
inv. 60 deg rotation - cryst. axis [0,0,1] E
2S6 19 20
inv. 120 deg rotation - cryst. axis [0,0,1]
-2S6 -19 -20
inv. 120 deg rotation - cryst. axis [0,0,1] E
s_h -s_h 14 -14
inv. 180 deg rotation - cart. axis [0,0,1]
3s_v-3s_v 16 -16 24 -23 23 -24
inv. 180 deg rotation - cart. axis [1,0,0]
3s_d-3s_d 15 -15 21 22 -22 -21
inv. 180 deg rotation - cart. axis [0,1,0]
Cartesian axes
number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 2) = ( 0.0081967 0.0047324 -0.0000000), wk = 0.0025510
k( 3) = ( 0.0163934 0.0094648 -0.0000000), wk = 0.0025510
k( 4) = ( 0.0245902 0.0141971 -0.0000000), wk = 0.0025510
k( 5) = ( 0.0327869 0.0189295 -0.0000000), wk = 0.0025510
k( 6) = ( 0.0409836 0.0236619 -0.0000000), wk = 0.0025510
k( 7) = ( 0.0491803 0.0283943 -0.0000000), wk = 0.0025510
k( 8) = ( 0.0573770 0.0331267 -0.0000000), wk = 0.0025510
k( 9) = ( 0.0655738 0.0378590 -0.0000000), wk = 0.0025510
k( 10) = ( 0.0737705 0.0425914 -0.0000000), wk = 0.0025510
k( 11) = ( 0.0819672 0.0473238 -0.0000000), wk = 0.0025510
k( 12) = ( 0.0901639 0.0520562 -0.0000000), wk = 0.0025510
k( 13) = ( 0.0983607 0.0567886 -0.0000000), wk = 0.0025510
k( 14) = ( 0.1065574 0.0615209 -0.0000000), wk = 0.0025510
k( 15) = ( 0.1147541 0.0662533 -0.0000000), wk = 0.0025510
k( 16) = ( 0.1229508 0.0709857 -0.0000000), wk = 0.0025510
k( 17) = ( 0.1311475 0.0757181 -0.0000000), wk = 0.0025510
k( 18) = ( 0.1393443 0.0804504 -0.0000000), wk = 0.0025510
k( 19) = ( 0.1475410 0.0851828 -0.0000000), wk = 0.0025510
k( 20) = ( 0.1557377 0.0899152 -0.0000000), wk = 0.0025510
k( 21) = ( 0.1639344 0.0946476 -0.0000000), wk = 0.0025510
k( 22) = ( 0.1721312 0.0993800 -0.0000000), wk = 0.0025510
k( 23) = ( 0.1803279 0.1041123 -0.0000000), wk = 0.0025510
k( 24) = ( 0.1885246 0.1088447 -0.0000000), wk = 0.0025510
k( 25) = ( 0.1967213 0.1135771 -0.0000000), wk = 0.0025510
k( 26) = ( 0.2049180 0.1183095 -0.0000000), wk = 0.0025510
k( 27) = ( 0.2131147 0.1230419 -0.0000000), wk = 0.0025510
k( 28) = ( 0.2213115 0.1277742 -0.0000000), wk = 0.0025510
k( 29) = ( 0.2295082 0.1325066 -0.0000000), wk = 0.0025510
k( 30) = ( 0.2377049 0.1372390 -0.0000000), wk = 0.0025510
k( 31) = ( 0.2459016 0.1419714 -0.0000000), wk = 0.0025510
k( 32) = ( 0.2540984 0.1467038 -0.0000000), wk = 0.0025510
k( 33) = ( 0.2622951 0.1514361 -0.0000000), wk = 0.0025510
k( 34) = ( 0.2704918 0.1561685 -0.0000000), wk = 0.0025510
k( 35) = ( 0.2786885 0.1609009 -0.0000000), wk = 0.0025510
k( 36) = ( 0.2868852 0.1656333 -0.0000000), wk = 0.0025510
k( 37) = ( 0.2950820 0.1703657 -0.0000000), wk = 0.0025510
k( 38) = ( 0.3032787 0.1750980 -0.0000000), wk = 0.0025510
k( 39) = ( 0.3114754 0.1798304 -0.0000000), wk = 0.0025510
k( 40) = ( 0.3196721 0.1845628 -0.0000000), wk = 0.0025510
k( 41) = ( 0.3278688 0.1892952 -0.0000000), wk = 0.0025510
k( 42) = ( 0.3360656 0.1940275 -0.0000000), wk = 0.0025510
k( 43) = ( 0.3442623 0.1987599 -0.0000000), wk = 0.0025510
k( 44) = ( 0.3524590 0.2034923 -0.0000000), wk = 0.0025510
k( 45) = ( 0.3606557 0.2082247 -0.0000000), wk = 0.0025510
k( 46) = ( 0.3688525 0.2129571 -0.0000000), wk = 0.0025510
k( 47) = ( 0.3770492 0.2176894 -0.0000000), wk = 0.0025510
k( 48) = ( 0.3852459 0.2224218 -0.0000000), wk = 0.0025510
k( 49) = ( 0.3934426 0.2271542 -0.0000000), wk = 0.0025510
k( 50) = ( 0.4016393 0.2318866 -0.0000000), wk = 0.0025510
k( 51) = ( 0.4098361 0.2366190 -0.0000000), wk = 0.0025510
k( 52) = ( 0.4180328 0.2413513 -0.0000000), wk = 0.0025510
k( 53) = ( 0.4262295 0.2460837 -0.0000000), wk = 0.0025510
k( 54) = ( 0.4344262 0.2508161 -0.0000000), wk = 0.0025510
k( 55) = ( 0.4426230 0.2555485 -0.0000000), wk = 0.0025510
k( 56) = ( 0.4508197 0.2602809 -0.0000000), wk = 0.0025510
k( 57) = ( 0.4590164 0.2650132 -0.0000000), wk = 0.0025510
k( 58) = ( 0.4672131 0.2697456 -0.0000000), wk = 0.0025510
k( 59) = ( 0.4754098 0.2744780 -0.0000000), wk = 0.0025510
k( 60) = ( 0.4836066 0.2792104 -0.0000000), wk = 0.0025510
k( 61) = ( 0.4918033 0.2839428 -0.0000000), wk = 0.0025510
k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510
k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510
k( 64) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0025510
k( 65) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0025510
k( 66) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0025510
k( 67) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0025510
k( 68) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0025510
k( 69) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0025510
k( 70) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0025510
k( 71) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0025510
k( 72) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0025510
k( 73) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0025510
k( 74) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0025510
k( 75) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0025510
k( 76) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0025510
k( 77) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0025510
k( 78) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0025510
k( 79) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0025510
k( 80) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0025510
k( 81) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0025510
k( 82) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0025510
k( 83) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0025510
k( 84) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0025510
k( 85) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0025510
k( 86) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0025510
k( 87) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0025510
k( 88) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0025510
k( 89) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0025510
k( 90) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0025510
k( 91) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0025510
k( 92) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0025510
k( 93) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0025510
k( 94) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0025510
k( 95) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0025510
k( 96) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0025510
k( 97) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0025510
k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510
k( 99) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510
k( 100) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0025510
k( 101) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0025510
k( 102) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0025510
k( 103) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0025510
k( 104) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0025510
k( 105) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0025510
k( 106) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0025510
k( 107) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0025510
k( 108) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0025510
k( 109) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0025510
k( 110) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0025510
k( 111) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0025510
k( 112) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0025510
k( 113) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0025510
k( 114) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0025510
k( 115) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0025510
k( 116) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0025510
k( 117) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0025510
k( 118) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0025510
k( 119) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0025510
k( 120) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0025510
k( 121) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0025510
k( 122) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0025510
k( 123) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0025510
k( 124) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0025510
k( 125) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0025510
k( 126) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0025510
k( 127) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0025510
k( 128) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0025510
k( 129) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0025510
k( 130) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0025510
k( 131) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0025510
k( 132) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0025510
k( 133) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0025510
k( 134) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025510
k( 135) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0025510
k( 136) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0025510
k( 137) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0025510
k( 138) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0025510
k( 139) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0025510
k( 140) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0025510
k( 141) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0025510
k( 142) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0025510
k( 143) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0025510
k( 144) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0025510
k( 145) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0025510
k( 146) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0025510
k( 147) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0025510
k( 148) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0025510
k( 149) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0025510
k( 150) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0025510
k( 151) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0025510
k( 152) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0025510
k( 153) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0025510
k( 154) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0025510
k( 155) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0025510
k( 156) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0025510
k( 157) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0025510
k( 158) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0025510
k( 159) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0025510
k( 160) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0025510
k( 161) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0025510
k( 162) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0025510
k( 163) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0025510
k( 164) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0025510
k( 165) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0025510
k( 166) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0025510
k( 167) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0025510
k( 168) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0025510
k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 171) = ( 0.0000000 0.0000000 0.0090579), wk = 0.0025510
k( 172) = ( 0.0000000 0.0000000 0.0181157), wk = 0.0025510
k( 173) = ( 0.0000000 0.0000000 0.0271736), wk = 0.0025510
k( 174) = ( 0.0000000 0.0000000 0.0362314), wk = 0.0025510
k( 175) = ( 0.0000000 0.0000000 0.0452893), wk = 0.0025510
k( 176) = ( 0.0000000 0.0000000 0.0543472), wk = 0.0025510
k( 177) = ( 0.0000000 0.0000000 0.0634050), wk = 0.0025510
k( 178) = ( 0.0000000 0.0000000 0.0724629), wk = 0.0025510
k( 179) = ( 0.0000000 0.0000000 0.0815208), wk = 0.0025510
k( 180) = ( 0.0000000 0.0000000 0.0905786), wk = 0.0025510
k( 181) = ( 0.0000000 0.0000000 0.0996365), wk = 0.0025510
k( 182) = ( 0.0000000 0.0000000 0.1086943), wk = 0.0025510
k( 183) = ( 0.0000000 0.0000000 0.1177522), wk = 0.0025510
k( 184) = ( 0.0000000 0.0000000 0.1268101), wk = 0.0025510
k( 185) = ( 0.0000000 0.0000000 0.1358679), wk = 0.0025510
k( 186) = ( 0.0000000 0.0000000 0.1449258), wk = 0.0025510
k( 187) = ( 0.0000000 0.0000000 0.1539837), wk = 0.0025510
k( 188) = ( 0.0000000 0.0000000 0.1539837), wk = 0.0025510
k( 189) = ( 0.0081967 0.0047324 0.1539837), wk = 0.0025510
k( 190) = ( 0.0163934 0.0094648 0.1539837), wk = 0.0025510
k( 191) = ( 0.0245902 0.0141971 0.1539837), wk = 0.0025510
k( 192) = ( 0.0327869 0.0189295 0.1539837), wk = 0.0025510
k( 193) = ( 0.0409836 0.0236619 0.1539837), wk = 0.0025510
k( 194) = ( 0.0491803 0.0283943 0.1539837), wk = 0.0025510
k( 195) = ( 0.0573770 0.0331267 0.1539837), wk = 0.0025510
k( 196) = ( 0.0655738 0.0378590 0.1539837), wk = 0.0025510
k( 197) = ( 0.0737705 0.0425914 0.1539837), wk = 0.0025510
k( 198) = ( 0.0819672 0.0473238 0.1539837), wk = 0.0025510
k( 199) = ( 0.0901639 0.0520562 0.1539837), wk = 0.0025510
k( 200) = ( 0.0983607 0.0567886 0.1539837), wk = 0.0025510
k( 201) = ( 0.1065574 0.0615209 0.1539837), wk = 0.0025510
k( 202) = ( 0.1147541 0.0662533 0.1539837), wk = 0.0025510
k( 203) = ( 0.1229508 0.0709857 0.1539837), wk = 0.0025510
k( 204) = ( 0.1311475 0.0757181 0.1539837), wk = 0.0025510
k( 205) = ( 0.1393443 0.0804504 0.1539837), wk = 0.0025510
k( 206) = ( 0.1475410 0.0851828 0.1539837), wk = 0.0025510
k( 207) = ( 0.1557377 0.0899152 0.1539837), wk = 0.0025510
k( 208) = ( 0.1639344 0.0946476 0.1539837), wk = 0.0025510
k( 209) = ( 0.1721312 0.0993800 0.1539837), wk = 0.0025510
k( 210) = ( 0.1803279 0.1041123 0.1539837), wk = 0.0025510
k( 211) = ( 0.1885246 0.1088447 0.1539837), wk = 0.0025510
k( 212) = ( 0.1967213 0.1135771 0.1539837), wk = 0.0025510
k( 213) = ( 0.2049180 0.1183095 0.1539837), wk = 0.0025510
k( 214) = ( 0.2131147 0.1230419 0.1539837), wk = 0.0025510
k( 215) = ( 0.2213115 0.1277742 0.1539837), wk = 0.0025510
k( 216) = ( 0.2295082 0.1325066 0.1539837), wk = 0.0025510
k( 217) = ( 0.2377049 0.1372390 0.1539837), wk = 0.0025510
k( 218) = ( 0.2459016 0.1419714 0.1539837), wk = 0.0025510
k( 219) = ( 0.2540984 0.1467038 0.1539837), wk = 0.0025510
k( 220) = ( 0.2622951 0.1514361 0.1539837), wk = 0.0025510
k( 221) = ( 0.2704918 0.1561685 0.1539837), wk = 0.0025510
k( 222) = ( 0.2786885 0.1609009 0.1539837), wk = 0.0025510
k( 223) = ( 0.2868852 0.1656333 0.1539837), wk = 0.0025510
k( 224) = ( 0.2950820 0.1703657 0.1539837), wk = 0.0025510
k( 225) = ( 0.3032787 0.1750980 0.1539837), wk = 0.0025510
k( 226) = ( 0.3114754 0.1798304 0.1539837), wk = 0.0025510
k( 227) = ( 0.3196721 0.1845628 0.1539837), wk = 0.0025510
k( 228) = ( 0.3278688 0.1892952 0.1539837), wk = 0.0025510
k( 229) = ( 0.3360656 0.1940275 0.1539837), wk = 0.0025510
k( 230) = ( 0.3442623 0.1987599 0.1539837), wk = 0.0025510
k( 231) = ( 0.3524590 0.2034923 0.1539837), wk = 0.0025510
k( 232) = ( 0.3606557 0.2082247 0.1539837), wk = 0.0025510
k( 233) = ( 0.3688525 0.2129571 0.1539837), wk = 0.0025510
k( 234) = ( 0.3770492 0.2176894 0.1539837), wk = 0.0025510
k( 235) = ( 0.3852459 0.2224218 0.1539837), wk = 0.0025510
k( 236) = ( 0.3934426 0.2271542 0.1539837), wk = 0.0025510
k( 237) = ( 0.4016393 0.2318866 0.1539837), wk = 0.0025510
k( 238) = ( 0.4098361 0.2366190 0.1539837), wk = 0.0025510
k( 239) = ( 0.4180328 0.2413513 0.1539837), wk = 0.0025510
k( 240) = ( 0.4262295 0.2460837 0.1539837), wk = 0.0025510
k( 241) = ( 0.4344262 0.2508161 0.1539837), wk = 0.0025510
k( 242) = ( 0.4426230 0.2555485 0.1539837), wk = 0.0025510
k( 243) = ( 0.4508197 0.2602809 0.1539837), wk = 0.0025510
k( 244) = ( 0.4590164 0.2650132 0.1539837), wk = 0.0025510
k( 245) = ( 0.4672131 0.2697456 0.1539837), wk = 0.0025510
k( 246) = ( 0.4754098 0.2744780 0.1539837), wk = 0.0025510
k( 247) = ( 0.4836066 0.2792104 0.1539837), wk = 0.0025510
k( 248) = ( 0.4918033 0.2839428 0.1539837), wk = 0.0025510
k( 249) = ( 0.5000000 0.2886751 0.1539837), wk = 0.0025510
k( 250) = ( 0.5000000 0.2886751 0.1539837), wk = 0.0025510
k( 251) = ( 0.4952381 0.2969230 0.1539837), wk = 0.0025510
k( 252) = ( 0.4904762 0.3051709 0.1539837), wk = 0.0025510
k( 253) = ( 0.4857143 0.3134187 0.1539837), wk = 0.0025510
k( 254) = ( 0.4809524 0.3216666 0.1539837), wk = 0.0025510
k( 255) = ( 0.4761905 0.3299144 0.1539837), wk = 0.0025510
k( 256) = ( 0.4714286 0.3381623 0.1539837), wk = 0.0025510
k( 257) = ( 0.4666667 0.3464102 0.1539837), wk = 0.0025510
k( 258) = ( 0.4619048 0.3546580 0.1539837), wk = 0.0025510
k( 259) = ( 0.4571429 0.3629059 0.1539837), wk = 0.0025510
k( 260) = ( 0.4523810 0.3711537 0.1539837), wk = 0.0025510
k( 261) = ( 0.4476191 0.3794016 0.1539837), wk = 0.0025510
k( 262) = ( 0.4428571 0.3876495 0.1539837), wk = 0.0025510
k( 263) = ( 0.4380952 0.3958973 0.1539837), wk = 0.0025510
k( 264) = ( 0.4333333 0.4041452 0.1539837), wk = 0.0025510
k( 265) = ( 0.4285714 0.4123930 0.1539837), wk = 0.0025510
k( 266) = ( 0.4238095 0.4206409 0.1539837), wk = 0.0025510
k( 267) = ( 0.4190476 0.4288888 0.1539837), wk = 0.0025510
k( 268) = ( 0.4142857 0.4371366 0.1539837), wk = 0.0025510
k( 269) = ( 0.4095238 0.4453845 0.1539837), wk = 0.0025510
k( 270) = ( 0.4047619 0.4536324 0.1539837), wk = 0.0025510
k( 271) = ( 0.4000000 0.4618802 0.1539837), wk = 0.0025510
k( 272) = ( 0.3952381 0.4701281 0.1539837), wk = 0.0025510
k( 273) = ( 0.3904762 0.4783759 0.1539837), wk = 0.0025510
k( 274) = ( 0.3857143 0.4866238 0.1539837), wk = 0.0025510
k( 275) = ( 0.3809524 0.4948717 0.1539837), wk = 0.0025510
k( 276) = ( 0.3761905 0.5031195 0.1539837), wk = 0.0025510
k( 277) = ( 0.3714286 0.5113674 0.1539837), wk = 0.0025510
k( 278) = ( 0.3666667 0.5196152 0.1539837), wk = 0.0025510
k( 279) = ( 0.3619048 0.5278631 0.1539837), wk = 0.0025510
k( 280) = ( 0.3571429 0.5361110 0.1539837), wk = 0.0025510
k( 281) = ( 0.3523810 0.5443588 0.1539837), wk = 0.0025510
k( 282) = ( 0.3476190 0.5526067 0.1539837), wk = 0.0025510
k( 283) = ( 0.3428571 0.5608545 0.1539837), wk = 0.0025510
k( 284) = ( 0.3380952 0.5691024 0.1539837), wk = 0.0025510
k( 285) = ( 0.3333333 0.5773503 0.1539837), wk = 0.0025510
k( 286) = ( 0.3333333 0.5773503 0.1539837), wk = 0.0025510
k( 287) = ( 0.3285714 0.5691024 0.1539837), wk = 0.0025510
k( 288) = ( 0.3238095 0.5608545 0.1539837), wk = 0.0025510
k( 289) = ( 0.3190476 0.5526067 0.1539837), wk = 0.0025510
k( 290) = ( 0.3142857 0.5443588 0.1539837), wk = 0.0025510
k( 291) = ( 0.3095238 0.5361110 0.1539837), wk = 0.0025510
k( 292) = ( 0.3047619 0.5278631 0.1539837), wk = 0.0025510
k( 293) = ( 0.3000000 0.5196152 0.1539837), wk = 0.0025510
k( 294) = ( 0.2952381 0.5113674 0.1539837), wk = 0.0025510
k( 295) = ( 0.2904762 0.5031195 0.1539837), wk = 0.0025510
k( 296) = ( 0.2857143 0.4948717 0.1539837), wk = 0.0025510
k( 297) = ( 0.2809524 0.4866238 0.1539837), wk = 0.0025510
k( 298) = ( 0.2761905 0.4783759 0.1539837), wk = 0.0025510
k( 299) = ( 0.2714286 0.4701281 0.1539837), wk = 0.0025510
k( 300) = ( 0.2666667 0.4618802 0.1539837), wk = 0.0025510
k( 301) = ( 0.2619048 0.4536324 0.1539837), wk = 0.0025510
k( 302) = ( 0.2571429 0.4453845 0.1539837), wk = 0.0025510
k( 303) = ( 0.2523809 0.4371366 0.1539837), wk = 0.0025510
k( 304) = ( 0.2476191 0.4288888 0.1539837), wk = 0.0025510
k( 305) = ( 0.2428571 0.4206409 0.1539837), wk = 0.0025510
k( 306) = ( 0.2380952 0.4123931 0.1539837), wk = 0.0025510
k( 307) = ( 0.2333333 0.4041452 0.1539837), wk = 0.0025510
k( 308) = ( 0.2285714 0.3958973 0.1539837), wk = 0.0025510
k( 309) = ( 0.2238095 0.3876495 0.1539837), wk = 0.0025510
k( 310) = ( 0.2190476 0.3794016 0.1539837), wk = 0.0025510
k( 311) = ( 0.2142857 0.3711537 0.1539837), wk = 0.0025510
k( 312) = ( 0.2095238 0.3629059 0.1539837), wk = 0.0025510
k( 313) = ( 0.2047619 0.3546580 0.1539837), wk = 0.0025510
k( 314) = ( 0.2000000 0.3464102 0.1539837), wk = 0.0025510
k( 315) = ( 0.1952381 0.3381623 0.1539837), wk = 0.0025510
k( 316) = ( 0.1904762 0.3299144 0.1539837), wk = 0.0025510
k( 317) = ( 0.1857143 0.3216666 0.1539837), wk = 0.0025510
k( 318) = ( 0.1809524 0.3134187 0.1539837), wk = 0.0025510
k( 319) = ( 0.1761905 0.3051709 0.1539837), wk = 0.0025510
k( 320) = ( 0.1714286 0.2969230 0.1539837), wk = 0.0025510
k( 321) = ( 0.1666667 0.2886751 0.1539837), wk = 0.0025510
k( 322) = ( 0.1619048 0.2804273 0.1539837), wk = 0.0025510
k( 323) = ( 0.1571429 0.2721794 0.1539837), wk = 0.0025510
k( 324) = ( 0.1523809 0.2639315 0.1539837), wk = 0.0025510
k( 325) = ( 0.1476191 0.2556837 0.1539837), wk = 0.0025510
k( 326) = ( 0.1428571 0.2474358 0.1539837), wk = 0.0025510
k( 327) = ( 0.1380952 0.2391880 0.1539837), wk = 0.0025510
k( 328) = ( 0.1333333 0.2309401 0.1539837), wk = 0.0025510
k( 329) = ( 0.1285714 0.2226922 0.1539837), wk = 0.0025510
k( 330) = ( 0.1238095 0.2144444 0.1539837), wk = 0.0025510
k( 331) = ( 0.1190476 0.2061965 0.1539837), wk = 0.0025510
k( 332) = ( 0.1142857 0.1979487 0.1539837), wk = 0.0025510
k( 333) = ( 0.1095238 0.1897008 0.1539837), wk = 0.0025510
k( 334) = ( 0.1047619 0.1814529 0.1539837), wk = 0.0025510
k( 335) = ( 0.1000000 0.1732051 0.1539837), wk = 0.0025510
k( 336) = ( 0.0952381 0.1649572 0.1539837), wk = 0.0025510
k( 337) = ( 0.0904762 0.1567094 0.1539837), wk = 0.0025510
k( 338) = ( 0.0857143 0.1484615 0.1539837), wk = 0.0025510
k( 339) = ( 0.0809524 0.1402136 0.1539837), wk = 0.0025510
k( 340) = ( 0.0761905 0.1319658 0.1539837), wk = 0.0025510
k( 341) = ( 0.0714286 0.1237179 0.1539837), wk = 0.0025510
k( 342) = ( 0.0666667 0.1154701 0.1539837), wk = 0.0025510
k( 343) = ( 0.0619048 0.1072222 0.1539837), wk = 0.0025510
k( 344) = ( 0.0571429 0.0989743 0.1539837), wk = 0.0025510
k( 345) = ( 0.0523810 0.0907265 0.1539837), wk = 0.0025510
k( 346) = ( 0.0476191 0.0824786 0.1539837), wk = 0.0025510
k( 347) = ( 0.0428571 0.0742307 0.1539837), wk = 0.0025510
k( 348) = ( 0.0380952 0.0659829 0.1539837), wk = 0.0025510
k( 349) = ( 0.0333333 0.0577350 0.1539837), wk = 0.0025510
k( 350) = ( 0.0285714 0.0494872 0.1539837), wk = 0.0025510
k( 351) = ( 0.0238095 0.0412393 0.1539837), wk = 0.0025510
k( 352) = ( 0.0190476 0.0329914 0.1539837), wk = 0.0025510
k( 353) = ( 0.0142857 0.0247436 0.1539837), wk = 0.0025510
k( 354) = ( 0.0095238 0.0164957 0.1539837), wk = 0.0025510
k( 355) = ( 0.0047619 0.0082479 0.1539837), wk = 0.0025510
k( 356) = ( 0.0000000 0.0000000 0.1539837), wk = 0.0025510
k( 357) = ( 0.5000000 0.2886751 0.1539837), wk = 0.0025510
k( 358) = ( 0.5000000 0.2886751 0.1449258), wk = 0.0025510
k( 359) = ( 0.5000000 0.2886751 0.1358679), wk = 0.0025510
k( 360) = ( 0.5000000 0.2886751 0.1268101), wk = 0.0025510
k( 361) = ( 0.5000000 0.2886751 0.1177522), wk = 0.0025510
k( 362) = ( 0.5000000 0.2886751 0.1086943), wk = 0.0025510
k( 363) = ( 0.5000000 0.2886751 0.0996365), wk = 0.0025510
k( 364) = ( 0.5000000 0.2886751 0.0905786), wk = 0.0025510
k( 365) = ( 0.5000000 0.2886751 0.0815208), wk = 0.0025510
k( 366) = ( 0.5000000 0.2886751 0.0724629), wk = 0.0025510
k( 367) = ( 0.5000000 0.2886751 0.0634050), wk = 0.0025510
k( 368) = ( 0.5000000 0.2886751 0.0543472), wk = 0.0025510
k( 369) = ( 0.5000000 0.2886751 0.0452893), wk = 0.0025510
k( 370) = ( 0.5000000 0.2886751 0.0362314), wk = 0.0025510
k( 371) = ( 0.5000000 0.2886751 0.0271736), wk = 0.0025510
k( 372) = ( 0.5000000 0.2886751 0.0181157), wk = 0.0025510
k( 373) = ( 0.5000000 0.2886751 0.0090579), wk = 0.0025510
k( 374) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025510
k( 375) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025510
k( 376) = ( 0.3333333 0.5773503 0.0090579), wk = 0.0025510
k( 377) = ( 0.3333333 0.5773503 0.0181157), wk = 0.0025510
k( 378) = ( 0.3333333 0.5773503 0.0271736), wk = 0.0025510
k( 379) = ( 0.3333333 0.5773503 0.0362314), wk = 0.0025510
k( 380) = ( 0.3333333 0.5773503 0.0452893), wk = 0.0025510
k( 381) = ( 0.3333333 0.5773503 0.0543472), wk = 0.0025510
k( 382) = ( 0.3333333 0.5773503 0.0634050), wk = 0.0025510
k( 383) = ( 0.3333333 0.5773503 0.0724629), wk = 0.0025510
k( 384) = ( 0.3333333 0.5773503 0.0815208), wk = 0.0025510
k( 385) = ( 0.3333333 0.5773503 0.0905786), wk = 0.0025510
k( 386) = ( 0.3333333 0.5773503 0.0996365), wk = 0.0025510
k( 387) = ( 0.3333333 0.5773503 0.1086943), wk = 0.0025510
k( 388) = ( 0.3333333 0.5773503 0.1177522), wk = 0.0025510
k( 389) = ( 0.3333333 0.5773503 0.1268101), wk = 0.0025510
k( 390) = ( 0.3333333 0.5773503 0.1358679), wk = 0.0025510
k( 391) = ( 0.3333333 0.5773503 0.1449258), wk = 0.0025510
k( 392) = ( 0.3333333 0.5773503 0.1539837), wk = 0.0025510
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 2) = ( 0.0081967 0.0000000 -0.0000000), wk = 0.0025510
k( 3) = ( 0.0163934 0.0000000 -0.0000000), wk = 0.0025510
k( 4) = ( 0.0245902 0.0000000 0.0000000), wk = 0.0025510
k( 5) = ( 0.0327869 0.0000000 0.0000000), wk = 0.0025510
k( 6) = ( 0.0409836 -0.0000000 0.0000000), wk = 0.0025510
k( 7) = ( 0.0491803 0.0000000 -0.0000000), wk = 0.0025510
k( 8) = ( 0.0573770 -0.0000000 0.0000000), wk = 0.0025510
k( 9) = ( 0.0655738 0.0000000 -0.0000000), wk = 0.0025510
k( 10) = ( 0.0737705 -0.0000000 0.0000000), wk = 0.0025510
k( 11) = ( 0.0819672 -0.0000000 -0.0000000), wk = 0.0025510
k( 12) = ( 0.0901639 -0.0000000 -0.0000000), wk = 0.0025510
k( 13) = ( 0.0983607 0.0000000 -0.0000000), wk = 0.0025510
k( 14) = ( 0.1065574 -0.0000000 -0.0000000), wk = 0.0025510
k( 15) = ( 0.1147541 -0.0000000 0.0000000), wk = 0.0025510
k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0025510
k( 17) = ( 0.1311475 0.0000000 -0.0000000), wk = 0.0025510
k( 18) = ( 0.1393443 0.0000000 -0.0000000), wk = 0.0025510
k( 19) = ( 0.1475410 -0.0000000 0.0000000), wk = 0.0025510
k( 20) = ( 0.1557377 -0.0000000 0.0000000), wk = 0.0025510
k( 21) = ( 0.1639344 -0.0000000 0.0000000), wk = 0.0025510
k( 22) = ( 0.1721312 -0.0000000 -0.0000000), wk = 0.0025510
k( 23) = ( 0.1803279 -0.0000000 0.0000000), wk = 0.0025510
k( 24) = ( 0.1885246 0.0000000 -0.0000000), wk = 0.0025510
k( 25) = ( 0.1967213 0.0000000 0.0000000), wk = 0.0025510
k( 26) = ( 0.2049180 -0.0000000 0.0000000), wk = 0.0025510
k( 27) = ( 0.2131147 -0.0000000 -0.0000000), wk = 0.0025510
k( 28) = ( 0.2213115 0.0000000 0.0000000), wk = 0.0025510
k( 29) = ( 0.2295082 -0.0000000 0.0000000), wk = 0.0025510
k( 30) = ( 0.2377049 0.0000000 0.0000000), wk = 0.0025510
k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0025510
k( 32) = ( 0.2540984 0.0000000 0.0000000), wk = 0.0025510
k( 33) = ( 0.2622951 0.0000000 -0.0000000), wk = 0.0025510
k( 34) = ( 0.2704918 0.0000000 -0.0000000), wk = 0.0025510
k( 35) = ( 0.2786885 0.0000000 -0.0000000), wk = 0.0025510
k( 36) = ( 0.2868852 0.0000000 -0.0000000), wk = 0.0025510
k( 37) = ( 0.2950820 0.0000000 -0.0000000), wk = 0.0025510
k( 38) = ( 0.3032787 -0.0000000 0.0000000), wk = 0.0025510
k( 39) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0025510
k( 40) = ( 0.3196721 -0.0000000 -0.0000000), wk = 0.0025510
k( 41) = ( 0.3278688 0.0000000 -0.0000000), wk = 0.0025510
k( 42) = ( 0.3360656 -0.0000000 0.0000000), wk = 0.0025510
k( 43) = ( 0.3442623 -0.0000000 -0.0000000), wk = 0.0025510
k( 44) = ( 0.3524590 -0.0000000 0.0000000), wk = 0.0025510
k( 45) = ( 0.3606557 -0.0000000 0.0000000), wk = 0.0025510
k( 46) = ( 0.3688525 -0.0000000 0.0000000), wk = 0.0025510
k( 47) = ( 0.3770492 0.0000000 -0.0000000), wk = 0.0025510
k( 48) = ( 0.3852459 0.0000000 -0.0000000), wk = 0.0025510
k( 49) = ( 0.3934426 0.0000000 0.0000000), wk = 0.0025510
k( 50) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0025510
k( 51) = ( 0.4098361 0.0000000 -0.0000000), wk = 0.0025510
k( 52) = ( 0.4180328 -0.0000000 -0.0000000), wk = 0.0025510
k( 53) = ( 0.4262295 0.0000000 -0.0000000), wk = 0.0025510
k( 54) = ( 0.4344262 -0.0000000 0.0000000), wk = 0.0025510
k( 55) = ( 0.4426230 -0.0000000 0.0000000), wk = 0.0025510
k( 56) = ( 0.4508197 0.0000000 0.0000000), wk = 0.0025510
k( 57) = ( 0.4590164 -0.0000000 -0.0000000), wk = 0.0025510
k( 58) = ( 0.4672131 -0.0000000 0.0000000), wk = 0.0025510
k( 59) = ( 0.4754098 0.0000000 0.0000000), wk = 0.0025510
k( 60) = ( 0.4836066 0.0000000 0.0000000), wk = 0.0025510
k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0025510
k( 62) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025510
k( 63) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025510
k( 64) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0025510
k( 65) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0025510
k( 66) = ( 0.4857143 0.0285714 0.0000000), wk = 0.0025510
k( 67) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0025510
k( 68) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0025510
k( 69) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0025510
k( 70) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0025510
k( 71) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0025510
k( 72) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0025510
k( 73) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0025510
k( 74) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0025510
k( 75) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0025510
k( 76) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0025510
k( 77) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0025510
k( 78) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0025510
k( 79) = ( 0.4238095 0.1523809 -0.0000000), wk = 0.0025510
k( 80) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0025510
k( 81) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0025510
k( 82) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0025510
k( 83) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0025510
k( 84) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0025510
k( 85) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0025510
k( 86) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0025510
k( 87) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0025510
k( 88) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0025510
k( 89) = ( 0.3761905 0.2476190 -0.0000000), wk = 0.0025510
k( 90) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0025510
k( 91) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0025510
k( 92) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0025510
k( 93) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0025510
k( 94) = ( 0.3523810 0.2952381 -0.0000000), wk = 0.0025510
k( 95) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0025510
k( 96) = ( 0.3428571 0.3142857 -0.0000000), wk = 0.0025510
k( 97) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0025510
k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025510
k( 99) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025510
k( 100) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0025510
k( 101) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0025510
k( 102) = ( 0.3190476 0.3190476 -0.0000000), wk = 0.0025510
k( 103) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0025510
k( 104) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0025510
k( 105) = ( 0.3047619 0.3047619 0.0000000), wk = 0.0025510
k( 106) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025510
k( 107) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0025510
k( 108) = ( 0.2904762 0.2904762 0.0000000), wk = 0.0025510
k( 109) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0025510
k( 110) = ( 0.2809524 0.2809524 -0.0000000), wk = 0.0025510
k( 111) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0025510
k( 112) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0025510
k( 113) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0025510
k( 114) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0025510
k( 115) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0025510
k( 116) = ( 0.2523809 0.2523809 0.0000000), wk = 0.0025510
k( 117) = ( 0.2476191 0.2476190 -0.0000000), wk = 0.0025510
k( 118) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0025510
k( 119) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0025510
k( 120) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0025510
k( 121) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0025510
k( 122) = ( 0.2238095 0.2238095 -0.0000000), wk = 0.0025510
k( 123) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0025510
k( 124) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0025510
k( 125) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0025510
k( 126) = ( 0.2047619 0.2047619 0.0000000), wk = 0.0025510
k( 127) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0025510
k( 128) = ( 0.1952381 0.1952381 -0.0000000), wk = 0.0025510
k( 129) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0025510
k( 130) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0025510
k( 131) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0025510
k( 132) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0025510
k( 133) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0025510
k( 134) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025510
k( 135) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0025510
k( 136) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0025510
k( 137) = ( 0.1523809 0.1523809 0.0000000), wk = 0.0025510
k( 138) = ( 0.1476191 0.1476191 -0.0000000), wk = 0.0025510
k( 139) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0025510
k( 140) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0025510
k( 141) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0025510
k( 142) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0025510
k( 143) = ( 0.1238095 0.1238095 0.0000000), wk = 0.0025510
k( 144) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0025510
k( 145) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0025510
k( 146) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0025510
k( 147) = ( 0.1047619 0.1047619 -0.0000000), wk = 0.0025510
k( 148) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0025510
k( 149) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0025510
k( 150) = ( 0.0904762 0.0904762 -0.0000000), wk = 0.0025510
k( 151) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0025510
k( 152) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0025510
k( 153) = ( 0.0761905 0.0761905 0.0000000), wk = 0.0025510
k( 154) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0025510
k( 155) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0025510
k( 156) = ( 0.0619048 0.0619048 0.0000000), wk = 0.0025510
k( 157) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0025510
k( 158) = ( 0.0523810 0.0523809 -0.0000000), wk = 0.0025510
k( 159) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0025510
k( 160) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0025510
k( 161) = ( 0.0380952 0.0380952 0.0000000), wk = 0.0025510
k( 162) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0025510
k( 163) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0025510
k( 164) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0025510
k( 165) = ( 0.0190476 0.0190476 0.0000000), wk = 0.0025510
k( 166) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0025510
k( 167) = ( 0.0095238 0.0095238 0.0000000), wk = 0.0025510
k( 168) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0025510
k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510
k( 171) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025510
k( 172) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025510
k( 173) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025510
k( 174) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025510
k( 175) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025510
k( 176) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025510
k( 177) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0025510
k( 178) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025510
k( 179) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025510
k( 180) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0025510
k( 181) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025510
k( 182) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025510
k( 183) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025510
k( 184) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025510
k( 185) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025510
k( 186) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025510
k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510
k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510
k( 189) = ( 0.0081967 0.0000000 0.5000000), wk = 0.0025510
k( 190) = ( 0.0163934 0.0000000 0.5000000), wk = 0.0025510
k( 191) = ( 0.0245902 0.0000000 0.5000000), wk = 0.0025510
k( 192) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0025510
k( 193) = ( 0.0409836 -0.0000000 0.5000000), wk = 0.0025510
k( 194) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0025510
k( 195) = ( 0.0573770 -0.0000000 0.5000000), wk = 0.0025510
k( 196) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0025510
k( 197) = ( 0.0737705 -0.0000000 0.5000000), wk = 0.0025510
k( 198) = ( 0.0819672 -0.0000000 0.5000000), wk = 0.0025510
k( 199) = ( 0.0901639 -0.0000000 0.5000000), wk = 0.0025510
k( 200) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0025510
k( 201) = ( 0.1065574 -0.0000000 0.5000000), wk = 0.0025510
k( 202) = ( 0.1147541 -0.0000000 0.5000000), wk = 0.0025510
k( 203) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0025510
k( 204) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0025510
k( 205) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0025510
k( 206) = ( 0.1475410 -0.0000000 0.5000000), wk = 0.0025510
k( 207) = ( 0.1557377 -0.0000000 0.5000000), wk = 0.0025510
k( 208) = ( 0.1639344 -0.0000000 0.5000000), wk = 0.0025510
k( 209) = ( 0.1721312 -0.0000000 0.5000000), wk = 0.0025510
k( 210) = ( 0.1803279 -0.0000000 0.5000000), wk = 0.0025510
k( 211) = ( 0.1885246 0.0000000 0.5000000), wk = 0.0025510
k( 212) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0025510
k( 213) = ( 0.2049180 -0.0000000 0.5000000), wk = 0.0025510
k( 214) = ( 0.2131147 -0.0000000 0.5000000), wk = 0.0025510
k( 215) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0025510
k( 216) = ( 0.2295082 -0.0000000 0.5000000), wk = 0.0025510
k( 217) = ( 0.2377049 0.0000000 0.5000000), wk = 0.0025510
k( 218) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0025510
k( 219) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0025510
k( 220) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0025510
k( 221) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0025510
k( 222) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0025510
k( 223) = ( 0.2868852 0.0000000 0.5000000), wk = 0.0025510
k( 224) = ( 0.2950820 0.0000000 0.5000000), wk = 0.0025510
k( 225) = ( 0.3032787 -0.0000000 0.5000000), wk = 0.0025510
k( 226) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0025510
k( 227) = ( 0.3196721 -0.0000000 0.5000000), wk = 0.0025510
k( 228) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0025510
k( 229) = ( 0.3360656 -0.0000000 0.5000000), wk = 0.0025510
k( 230) = ( 0.3442623 -0.0000000 0.5000000), wk = 0.0025510
k( 231) = ( 0.3524590 -0.0000000 0.5000000), wk = 0.0025510
k( 232) = ( 0.3606557 -0.0000000 0.5000000), wk = 0.0025510
k( 233) = ( 0.3688525 -0.0000000 0.5000000), wk = 0.0025510
k( 234) = ( 0.3770492 0.0000000 0.5000000), wk = 0.0025510
k( 235) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0025510
k( 236) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0025510
k( 237) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0025510
k( 238) = ( 0.4098361 0.0000000 0.5000000), wk = 0.0025510
k( 239) = ( 0.4180328 -0.0000000 0.5000000), wk = 0.0025510
k( 240) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0025510
k( 241) = ( 0.4344262 -0.0000000 0.5000000), wk = 0.0025510
k( 242) = ( 0.4426230 -0.0000000 0.5000000), wk = 0.0025510
k( 243) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0025510
k( 244) = ( 0.4590164 -0.0000000 0.5000000), wk = 0.0025510
k( 245) = ( 0.4672131 -0.0000000 0.5000000), wk = 0.0025510
k( 246) = ( 0.4754098 0.0000000 0.5000000), wk = 0.0025510
k( 247) = ( 0.4836066 0.0000000 0.5000000), wk = 0.0025510
k( 248) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0025510
k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510
k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510
k( 251) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0025510
k( 252) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0025510
k( 253) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0025510
k( 254) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0025510
k( 255) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0025510
k( 256) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0025510
k( 257) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0025510
k( 258) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0025510
k( 259) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0025510
k( 260) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0025510
k( 261) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0025510
k( 262) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0025510
k( 263) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0025510
k( 264) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0025510
k( 265) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0025510
k( 266) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0025510
k( 267) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0025510
k( 268) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0025510
k( 269) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0025510
k( 270) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0025510
k( 271) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0025510
k( 272) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0025510
k( 273) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0025510
k( 274) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0025510
k( 275) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0025510
k( 276) = ( 0.3761905 0.2476190 0.5000000), wk = 0.0025510
k( 277) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0025510
k( 278) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0025510
k( 279) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0025510
k( 280) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0025510
k( 281) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0025510
k( 282) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0025510
k( 283) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0025510
k( 284) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0025510
k( 285) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510
k( 286) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510
k( 287) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0025510
k( 288) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0025510
k( 289) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0025510
k( 290) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0025510
k( 291) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0025510
k( 292) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0025510
k( 293) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025510
k( 294) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0025510
k( 295) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0025510
k( 296) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0025510
k( 297) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0025510
k( 298) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0025510
k( 299) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0025510
k( 300) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0025510
k( 301) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0025510
k( 302) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0025510
k( 303) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0025510
k( 304) = ( 0.2476191 0.2476190 0.5000000), wk = 0.0025510
k( 305) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0025510
k( 306) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0025510
k( 307) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0025510
k( 308) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0025510
k( 309) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0025510
k( 310) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0025510
k( 311) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0025510
k( 312) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0025510
k( 313) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0025510
k( 314) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025510
k( 315) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0025510
k( 316) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0025510
k( 317) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0025510
k( 318) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0025510
k( 319) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0025510
k( 320) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0025510
k( 321) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025510
k( 322) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0025510
k( 323) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0025510
k( 324) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0025510
k( 325) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0025510
k( 326) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0025510
k( 327) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0025510
k( 328) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0025510
k( 329) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0025510
k( 330) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0025510
k( 331) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0025510
k( 332) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0025510
k( 333) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0025510
k( 334) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0025510
k( 335) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025510
k( 336) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0025510
k( 337) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0025510
k( 338) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0025510
k( 339) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0025510
k( 340) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0025510
k( 341) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0025510
k( 342) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0025510
k( 343) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0025510
k( 344) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0025510
k( 345) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0025510
k( 346) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0025510
k( 347) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0025510
k( 348) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0025510
k( 349) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0025510
k( 350) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0025510
k( 351) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0025510
k( 352) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0025510
k( 353) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0025510
k( 354) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0025510
k( 355) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0025510
k( 356) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510
k( 357) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025510
k( 358) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0025510
k( 359) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0025510
k( 360) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0025510
k( 361) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0025510
k( 362) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0025510
k( 363) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0025510
k( 364) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0025510
k( 365) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0025510
k( 366) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0025510
k( 367) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0025510
k( 368) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0025510
k( 369) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0025510
k( 370) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0025510
k( 371) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0025510
k( 372) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0025510
k( 373) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0025510
k( 374) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025510
k( 375) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025510
k( 376) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0025510
k( 377) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0025510
k( 378) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0025510
k( 379) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0025510
k( 380) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0025510
k( 381) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0025510
k( 382) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0025510
k( 383) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0025510
k( 384) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0025510
k( 385) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0025510
k( 386) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0025510
k( 387) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0025510
k( 388) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0025510
k( 389) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0025510
k( 390) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0025510
k( 391) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0025510
k( 392) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025510
Dense grid: 50205 G-vectors FFT dimensions: ( 36, 36, 108)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.25 Mb ( 378, 44)
NL pseudopotentials 0.72 Mb ( 189, 248)
Each V/rho on FFT grid 0.06 Mb ( 3888)
Each G-vector array 0.01 Mb ( 1394)
G-vector shells 0.01 Mb ( 680)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.02 Mb ( 378, 176)
Each subspace H/S matrix 0.03 Mb ( 44, 44)
Each <psi_i|beta_j> matrix 0.33 Mb ( 248, 2, 44)
The potential is recalculated from file :
./Cs.save/charge-density.dat
Starting wfc are 40 randomized atomic wfcs + 4 random wfc
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.5 secs
Computing kpt #: 2
total cpu time spent up to now is 2.4 secs
Computing kpt #: 3
total cpu time spent up to now is 3.3 secs
Computing kpt #: 4
total cpu time spent up to now is 4.2 secs
Computing kpt #: 5
total cpu time spent up to now is 5.0 secs
Computing kpt #: 6
total cpu time spent up to now is 5.9 secs
Computing kpt #: 7
total cpu time spent up to now is 6.8 secs
Computing kpt #: 8
total cpu time spent up to now is 7.7 secs
Computing kpt #: 9
total cpu time spent up to now is 8.4 secs
Computing kpt #: 10
total cpu time spent up to now is 9.2 secs
Computing kpt #: 11
total cpu time spent up to now is 9.8 secs
Computing kpt #: 12
total cpu time spent up to now is 10.5 secs
Computing kpt #: 13
total cpu time spent up to now is 11.2 secs
Computing kpt #: 14
total cpu time spent up to now is 11.8 secs
Computing kpt #: 15
total cpu time spent up to now is 12.5 secs
Computing kpt #: 16
total cpu time spent up to now is 13.1 secs
Computing kpt #: 17
total cpu time spent up to now is 13.7 secs
Computing kpt #: 18
total cpu time spent up to now is 14.3 secs
Computing kpt #: 19
total cpu time spent up to now is 14.9 secs
Computing kpt #: 20
total cpu time spent up to now is 15.6 secs
Computing kpt #: 21
total cpu time spent up to now is 16.2 secs
Computing kpt #: 22
total cpu time spent up to now is 17.0 secs
Computing kpt #: 23
total cpu time spent up to now is 17.8 secs
Computing kpt #: 24
total cpu time spent up to now is 18.8 secs
Computing kpt #: 25
total cpu time spent up to now is 19.7 secs
Computing kpt #: 26
total cpu time spent up to now is 20.5 secs
Computing kpt #: 27
total cpu time spent up to now is 21.3 secs
Computing kpt #: 28
total cpu time spent up to now is 22.3 secs
Computing kpt #: 29
total cpu time spent up to now is 23.3 secs
Computing kpt #: 30
total cpu time spent up to now is 24.3 secs
Computing kpt #: 31
total cpu time spent up to now is 25.2 secs
Computing kpt #: 32
total cpu time spent up to now is 26.1 secs
Computing kpt #: 33
total cpu time spent up to now is 26.9 secs
Computing kpt #: 34
total cpu time spent up to now is 27.7 secs
Computing kpt #: 35
total cpu time spent up to now is 28.4 secs
Computing kpt #: 36
total cpu time spent up to now is 29.1 secs
Computing kpt #: 37
total cpu time spent up to now is 29.8 secs
Computing kpt #: 38
total cpu time spent up to now is 30.4 secs
Computing kpt #: 39
total cpu time spent up to now is 31.0 secs
Computing kpt #: 40
total cpu time spent up to now is 31.7 secs
Computing kpt #: 41
total cpu time spent up to now is 32.3 secs
Computing kpt #: 42
total cpu time spent up to now is 32.9 secs
Computing kpt #: 43
total cpu time spent up to now is 33.5 secs
Computing kpt #: 44
total cpu time spent up to now is 34.2 secs
Computing kpt #: 45
total cpu time spent up to now is 34.8 secs
Computing kpt #: 46
total cpu time spent up to now is 35.4 secs
Computing kpt #: 47
total cpu time spent up to now is 36.0 secs
Computing kpt #: 48
total cpu time spent up to now is 36.7 secs
Computing kpt #: 49
total cpu time spent up to now is 37.3 secs
Computing kpt #: 50
total cpu time spent up to now is 38.0 secs
Computing kpt #: 51
total cpu time spent up to now is 38.6 secs
Computing kpt #: 52
total cpu time spent up to now is 39.3 secs
Computing kpt #: 53
total cpu time spent up to now is 39.9 secs
Computing kpt #: 54
total cpu time spent up to now is 40.6 secs
Computing kpt #: 55
total cpu time spent up to now is 41.3 secs
Computing kpt #: 56
total cpu time spent up to now is 42.0 secs
Computing kpt #: 57
total cpu time spent up to now is 42.7 secs
Computing kpt #: 58
total cpu time spent up to now is 43.4 secs
Computing kpt #: 59
total cpu time spent up to now is 44.0 secs
Computing kpt #: 60
total cpu time spent up to now is 44.7 secs
Computing kpt #: 61
total cpu time spent up to now is 45.4 secs
Computing kpt #: 62
total cpu time spent up to now is 46.1 secs
Computing kpt #: 63
total cpu time spent up to now is 46.7 secs
Computing kpt #: 64
total cpu time spent up to now is 47.4 secs
Computing kpt #: 65
total cpu time spent up to now is 48.1 secs
Computing kpt #: 66
total cpu time spent up to now is 48.8 secs
Computing kpt #: 67
total cpu time spent up to now is 49.4 secs
Computing kpt #: 68
total cpu time spent up to now is 49.9 secs
Computing kpt #: 69
total cpu time spent up to now is 50.5 secs
Computing kpt #: 70
total cpu time spent up to now is 51.0 secs
Computing kpt #: 71
total cpu time spent up to now is 51.5 secs
Computing kpt #: 72
total cpu time spent up to now is 52.1 secs
Computing kpt #: 73
total cpu time spent up to now is 52.6 secs
Computing kpt #: 74
total cpu time spent up to now is 53.1 secs
Computing kpt #: 75
total cpu time spent up to now is 53.6 secs
Computing kpt #: 76
total cpu time spent up to now is 54.2 secs
Computing kpt #: 77
total cpu time spent up to now is 54.7 secs
Computing kpt #: 78
total cpu time spent up to now is 55.2 secs
Computing kpt #: 79
total cpu time spent up to now is 55.8 secs
Computing kpt #: 80
total cpu time spent up to now is 56.3 secs
Computing kpt #: 81
total cpu time spent up to now is 56.8 secs
Computing kpt #: 82
total cpu time spent up to now is 57.4 secs
Computing kpt #: 83
total cpu time spent up to now is 57.9 secs
Computing kpt #: 84
total cpu time spent up to now is 58.4 secs
Computing kpt #: 85
total cpu time spent up to now is 59.0 secs
Computing kpt #: 86
total cpu time spent up to now is 59.5 secs
Computing kpt #: 87
total cpu time spent up to now is 60.0 secs
Computing kpt #: 88
total cpu time spent up to now is 60.6 secs
Computing kpt #: 89
total cpu time spent up to now is 61.1 secs
Computing kpt #: 90
total cpu time spent up to now is 61.6 secs
Computing kpt #: 91
total cpu time spent up to now is 62.2 secs
Computing kpt #: 92
total cpu time spent up to now is 62.7 secs
Computing kpt #: 93
total cpu time spent up to now is 63.2 secs
Computing kpt #: 94
total cpu time spent up to now is 63.8 secs
Computing kpt #: 95
total cpu time spent up to now is 64.4 secs
Computing kpt #: 96
total cpu time spent up to now is 65.1 secs
Computing kpt #: 97
total cpu time spent up to now is 65.8 secs
Computing kpt #: 98
total cpu time spent up to now is 66.7 secs
Computing kpt #: 99
total cpu time spent up to now is 67.6 secs
Computing kpt #: 100
total cpu time spent up to now is 68.4 secs
Computing kpt #: 101
total cpu time spent up to now is 69.2 secs
Computing kpt #: 102
total cpu time spent up to now is 70.0 secs
Computing kpt #: 103
total cpu time spent up to now is 70.8 secs
Computing kpt #: 104
total cpu time spent up to now is 71.7 secs
Computing kpt #: 105
total cpu time spent up to now is 72.5 secs
Computing kpt #: 106
total cpu time spent up to now is 73.3 secs
Computing kpt #: 107
total cpu time spent up to now is 74.1 secs
Computing kpt #: 108
total cpu time spent up to now is 74.8 secs
Computing kpt #: 109
total cpu time spent up to now is 75.4 secs
Computing kpt #: 110
total cpu time spent up to now is 76.1 secs
Computing kpt #: 111
total cpu time spent up to now is 76.8 secs
Computing kpt #: 112
total cpu time spent up to now is 77.5 secs
Computing kpt #: 113
total cpu time spent up to now is 78.1 secs
Computing kpt #: 114
total cpu time spent up to now is 78.8 secs
Computing kpt #: 115
total cpu time spent up to now is 79.4 secs
Computing kpt #: 116
total cpu time spent up to now is 80.0 secs
Computing kpt #: 117
total cpu time spent up to now is 80.7 secs
Computing kpt #: 118
total cpu time spent up to now is 81.3 secs
Computing kpt #: 119
total cpu time spent up to now is 82.0 secs
Computing kpt #: 120
total cpu time spent up to now is 82.7 secs
Computing kpt #: 121
total cpu time spent up to now is 83.3 secs
Computing kpt #: 122
total cpu time spent up to now is 84.0 secs
Computing kpt #: 123
total cpu time spent up to now is 84.7 secs
Computing kpt #: 124
total cpu time spent up to now is 85.4 secs
Computing kpt #: 125
total cpu time spent up to now is 86.1 secs
Computing kpt #: 126
total cpu time spent up to now is 86.9 secs
Computing kpt #: 127
total cpu time spent up to now is 87.7 secs
Computing kpt #: 128
total cpu time spent up to now is 88.3 secs
Computing kpt #: 129
total cpu time spent up to now is 89.0 secs
Computing kpt #: 130
total cpu time spent up to now is 89.6 secs
Computing kpt #: 131
total cpu time spent up to now is 90.2 secs
Computing kpt #: 132
total cpu time spent up to now is 90.7 secs
Computing kpt #: 133
total cpu time spent up to now is 91.3 secs
Computing kpt #: 134
total cpu time spent up to now is 91.9 secs
Computing kpt #: 135
total cpu time spent up to now is 92.5 secs
Computing kpt #: 136
total cpu time spent up to now is 93.1 secs
Computing kpt #: 137
total cpu time spent up to now is 93.8 secs
Computing kpt #: 138
total cpu time spent up to now is 94.4 secs
Computing kpt #: 139
total cpu time spent up to now is 95.0 secs
Computing kpt #: 140
total cpu time spent up to now is 95.7 secs
Computing kpt #: 141
total cpu time spent up to now is 96.3 secs
Computing kpt #: 142
total cpu time spent up to now is 97.0 secs
Computing kpt #: 143
total cpu time spent up to now is 97.8 secs
Computing kpt #: 144
total cpu time spent up to now is 98.6 secs
Computing kpt #: 145
total cpu time spent up to now is 99.6 secs
Computing kpt #: 146
total cpu time spent up to now is 100.4 secs
Computing kpt #: 147
total cpu time spent up to now is 101.1 secs
Computing kpt #: 148
total cpu time spent up to now is 101.8 secs
Computing kpt #: 149
total cpu time spent up to now is 102.5 secs
Computing kpt #: 150
total cpu time spent up to now is 103.2 secs
Computing kpt #: 151
total cpu time spent up to now is 103.9 secs
Computing kpt #: 152
total cpu time spent up to now is 104.5 secs
Computing kpt #: 153
total cpu time spent up to now is 105.2 secs
Computing kpt #: 154
total cpu time spent up to now is 105.8 secs
Computing kpt #: 155
total cpu time spent up to now is 106.4 secs
Computing kpt #: 156
total cpu time spent up to now is 107.1 secs
Computing kpt #: 157
total cpu time spent up to now is 107.7 secs
Computing kpt #: 158
total cpu time spent up to now is 108.4 secs
Computing kpt #: 159
total cpu time spent up to now is 109.0 secs
Computing kpt #: 160
total cpu time spent up to now is 109.7 secs
Computing kpt #: 161
total cpu time spent up to now is 110.5 secs
Computing kpt #: 162
total cpu time spent up to now is 111.4 secs
Computing kpt #: 163
total cpu time spent up to now is 112.3 secs
Computing kpt #: 164
total cpu time spent up to now is 113.2 secs
Computing kpt #: 165
total cpu time spent up to now is 114.1 secs
Computing kpt #: 166
total cpu time spent up to now is 114.9 secs
Computing kpt #: 167
total cpu time spent up to now is 115.8 secs
Computing kpt #: 168
total cpu time spent up to now is 116.7 secs
Computing kpt #: 169
total cpu time spent up to now is 117.6 secs
Computing kpt #: 170
total cpu time spent up to now is 118.5 secs
Computing kpt #: 171
total cpu time spent up to now is 119.4 secs
Computing kpt #: 172
total cpu time spent up to now is 120.3 secs
Computing kpt #: 173
total cpu time spent up to now is 121.2 secs
Computing kpt #: 174
total cpu time spent up to now is 122.1 secs
Computing kpt #: 175
total cpu time spent up to now is 123.1 secs
Computing kpt #: 176
total cpu time spent up to now is 124.0 secs
Computing kpt #: 177
total cpu time spent up to now is 124.9 secs
Computing kpt #: 178
total cpu time spent up to now is 125.8 secs
Computing kpt #: 179
total cpu time spent up to now is 126.7 secs
Computing kpt #: 180
total cpu time spent up to now is 127.6 secs
Computing kpt #: 181
total cpu time spent up to now is 128.5 secs
Computing kpt #: 182
total cpu time spent up to now is 129.5 secs
Computing kpt #: 183
total cpu time spent up to now is 130.4 secs
Computing kpt #: 184
total cpu time spent up to now is 131.8 secs
Computing kpt #: 185
total cpu time spent up to now is 132.7 secs
Computing kpt #: 186
total cpu time spent up to now is 133.6 secs
Computing kpt #: 187
total cpu time spent up to now is 134.5 secs
Computing kpt #: 188
total cpu time spent up to now is 135.4 secs
Computing kpt #: 189
total cpu time spent up to now is 136.3 secs
Computing kpt #: 190
total cpu time spent up to now is 137.2 secs
Computing kpt #: 191
total cpu time spent up to now is 138.1 secs
Computing kpt #: 192
total cpu time spent up to now is 138.9 secs
Computing kpt #: 193
total cpu time spent up to now is 139.7 secs
Computing kpt #: 194
total cpu time spent up to now is 140.4 secs
Computing kpt #: 195
total cpu time spent up to now is 141.2 secs
Computing kpt #: 196
total cpu time spent up to now is 141.9 secs
Computing kpt #: 197
total cpu time spent up to now is 142.5 secs
Computing kpt #: 198
total cpu time spent up to now is 143.2 secs
Computing kpt #: 199
total cpu time spent up to now is 143.9 secs
Computing kpt #: 200
total cpu time spent up to now is 144.5 secs
Computing kpt #: 201
total cpu time spent up to now is 145.2 secs
Computing kpt #: 202
total cpu time spent up to now is 145.8 secs
Computing kpt #: 203
total cpu time spent up to now is 146.4 secs
Computing kpt #: 204
total cpu time spent up to now is 147.0 secs
Computing kpt #: 205
total cpu time spent up to now is 147.7 secs
Computing kpt #: 206
total cpu time spent up to now is 148.3 secs
Computing kpt #: 207
total cpu time spent up to now is 149.0 secs
Computing kpt #: 208
total cpu time spent up to now is 149.7 secs
Computing kpt #: 209
total cpu time spent up to now is 150.3 secs
Computing kpt #: 210
total cpu time spent up to now is 150.9 secs
Computing kpt #: 211
total cpu time spent up to now is 151.6 secs
Computing kpt #: 212
total cpu time spent up to now is 152.2 secs
Computing kpt #: 213
total cpu time spent up to now is 152.8 secs
Computing kpt #: 214
total cpu time spent up to now is 153.3 secs
Computing kpt #: 215
total cpu time spent up to now is 153.8 secs
Computing kpt #: 216
total cpu time spent up to now is 154.4 secs
Computing kpt #: 217
total cpu time spent up to now is 154.9 secs
Computing kpt #: 218
total cpu time spent up to now is 155.4 secs
Computing kpt #: 219
total cpu time spent up to now is 156.0 secs
Computing kpt #: 220
total cpu time spent up to now is 156.5 secs
Computing kpt #: 221
total cpu time spent up to now is 157.0 secs
Computing kpt #: 222
total cpu time spent up to now is 157.6 secs
Computing kpt #: 223
total cpu time spent up to now is 158.1 secs
Computing kpt #: 224
total cpu time spent up to now is 158.6 secs
Computing kpt #: 225
total cpu time spent up to now is 159.2 secs
Computing kpt #: 226
total cpu time spent up to now is 159.7 secs
Computing kpt #: 227
total cpu time spent up to now is 160.3 secs
Computing kpt #: 228
total cpu time spent up to now is 160.8 secs
Computing kpt #: 229
total cpu time spent up to now is 161.4 secs
Computing kpt #: 230
total cpu time spent up to now is 161.9 secs
Computing kpt #: 231
total cpu time spent up to now is 162.4 secs
Computing kpt #: 232
total cpu time spent up to now is 163.0 secs
Computing kpt #: 233
total cpu time spent up to now is 163.5 secs
Computing kpt #: 234
total cpu time spent up to now is 164.1 secs
Computing kpt #: 235
total cpu time spent up to now is 164.6 secs
Computing kpt #: 236
total cpu time spent up to now is 165.2 secs
Computing kpt #: 237
total cpu time spent up to now is 165.7 secs
Computing kpt #: 238
total cpu time spent up to now is 166.2 secs
Computing kpt #: 239
total cpu time spent up to now is 166.8 secs
Computing kpt #: 240
total cpu time spent up to now is 167.3 secs
Computing kpt #: 241
total cpu time spent up to now is 167.8 secs
Computing kpt #: 242
total cpu time spent up to now is 168.4 secs
Computing kpt #: 243
total cpu time spent up to now is 169.0 secs
Computing kpt #: 244
total cpu time spent up to now is 169.5 secs
Computing kpt #: 245
total cpu time spent up to now is 170.1 secs
Computing kpt #: 246
total cpu time spent up to now is 170.6 secs
Computing kpt #: 247
total cpu time spent up to now is 171.2 secs
Computing kpt #: 248
total cpu time spent up to now is 171.7 secs
Computing kpt #: 249
total cpu time spent up to now is 172.3 secs
Computing kpt #: 250
total cpu time spent up to now is 172.8 secs
Computing kpt #: 251
total cpu time spent up to now is 173.4 secs
Computing kpt #: 252
total cpu time spent up to now is 173.9 secs
Computing kpt #: 253
total cpu time spent up to now is 174.5 secs
Computing kpt #: 254
total cpu time spent up to now is 175.0 secs
Computing kpt #: 255
total cpu time spent up to now is 175.6 secs
Computing kpt #: 256
total cpu time spent up to now is 176.2 secs
Computing kpt #: 257
total cpu time spent up to now is 176.8 secs
Computing kpt #: 258
total cpu time spent up to now is 177.4 secs
Computing kpt #: 259
total cpu time spent up to now is 178.0 secs
Computing kpt #: 260
total cpu time spent up to now is 178.6 secs
Computing kpt #: 261
total cpu time spent up to now is 179.3 secs
Computing kpt #: 262
total cpu time spent up to now is 179.9 secs
Computing kpt #: 263
total cpu time spent up to now is 180.7 secs
Computing kpt #: 264
total cpu time spent up to now is 181.5 secs
Computing kpt #: 265
total cpu time spent up to now is 182.2 secs
Computing kpt #: 266
total cpu time spent up to now is 182.8 secs
Computing kpt #: 267
total cpu time spent up to now is 183.5 secs
Computing kpt #: 268
total cpu time spent up to now is 184.1 secs
Computing kpt #: 269
total cpu time spent up to now is 184.6 secs
Computing kpt #: 270
total cpu time spent up to now is 185.2 secs
Computing kpt #: 271
total cpu time spent up to now is 185.8 secs
Computing kpt #: 272
total cpu time spent up to now is 186.3 secs
Computing kpt #: 273
total cpu time spent up to now is 186.9 secs
Computing kpt #: 274
total cpu time spent up to now is 187.5 secs
Computing kpt #: 275
total cpu time spent up to now is 188.1 secs
Computing kpt #: 276
total cpu time spent up to now is 188.8 secs
Computing kpt #: 277
total cpu time spent up to now is 189.4 secs
Computing kpt #: 278
total cpu time spent up to now is 190.0 secs
Computing kpt #: 279
total cpu time spent up to now is 190.7 secs
Computing kpt #: 280
total cpu time spent up to now is 191.3 secs
Computing kpt #: 281
total cpu time spent up to now is 192.0 secs
Computing kpt #: 282
total cpu time spent up to now is 192.6 secs
Computing kpt #: 283
total cpu time spent up to now is 193.2 secs
Computing kpt #: 284
total cpu time spent up to now is 193.8 secs
Computing kpt #: 285
total cpu time spent up to now is 194.4 secs
Computing kpt #: 286
total cpu time spent up to now is 194.9 secs
Computing kpt #: 287
total cpu time spent up to now is 195.5 secs
Computing kpt #: 288
total cpu time spent up to now is 196.1 secs
Computing kpt #: 289
total cpu time spent up to now is 196.8 secs
Computing kpt #: 290
total cpu time spent up to now is 197.4 secs
Computing kpt #: 291
total cpu time spent up to now is 198.0 secs
Computing kpt #: 292
total cpu time spent up to now is 198.6 secs
Computing kpt #: 293
total cpu time spent up to now is 199.3 secs
Computing kpt #: 294
total cpu time spent up to now is 199.9 secs
Computing kpt #: 295
total cpu time spent up to now is 200.6 secs
Computing kpt #: 296
total cpu time spent up to now is 201.2 secs
Computing kpt #: 297
total cpu time spent up to now is 201.8 secs
Computing kpt #: 298
total cpu time spent up to now is 202.5 secs
Computing kpt #: 299
total cpu time spent up to now is 203.1 secs
Computing kpt #: 300
total cpu time spent up to now is 203.8 secs
Computing kpt #: 301
total cpu time spent up to now is 204.4 secs
Computing kpt #: 302
total cpu time spent up to now is 205.0 secs
Computing kpt #: 303
total cpu time spent up to now is 205.7 secs
Computing kpt #: 304
total cpu time spent up to now is 206.4 secs
Computing kpt #: 305
total cpu time spent up to now is 207.0 secs
Computing kpt #: 306
total cpu time spent up to now is 207.7 secs
Computing kpt #: 307
total cpu time spent up to now is 208.3 secs
Computing kpt #: 308
total cpu time spent up to now is 209.0 secs
Computing kpt #: 309
total cpu time spent up to now is 209.6 secs
Computing kpt #: 310
total cpu time spent up to now is 210.3 secs
Computing kpt #: 311
total cpu time spent up to now is 210.9 secs
Computing kpt #: 312
total cpu time spent up to now is 211.6 secs
Computing kpt #: 313
total cpu time spent up to now is 212.3 secs
Computing kpt #: 314
total cpu time spent up to now is 213.0 secs
Computing kpt #: 315
total cpu time spent up to now is 213.6 secs
Computing kpt #: 316
total cpu time spent up to now is 214.3 secs
Computing kpt #: 317
total cpu time spent up to now is 215.0 secs
Computing kpt #: 318
total cpu time spent up to now is 215.7 secs
Computing kpt #: 319
total cpu time spent up to now is 216.4 secs
Computing kpt #: 320
total cpu time spent up to now is 217.2 secs
Computing kpt #: 321
total cpu time spent up to now is 217.9 secs
Computing kpt #: 322
total cpu time spent up to now is 218.6 secs
Computing kpt #: 323
total cpu time spent up to now is 219.4 secs
Computing kpt #: 324
total cpu time spent up to now is 220.2 secs
Computing kpt #: 325
total cpu time spent up to now is 220.9 secs
Computing kpt #: 326
total cpu time spent up to now is 221.7 secs
Computing kpt #: 327
total cpu time spent up to now is 222.4 secs
Computing kpt #: 328
total cpu time spent up to now is 223.0 secs
Computing kpt #: 329
total cpu time spent up to now is 223.7 secs
Computing kpt #: 330
total cpu time spent up to now is 224.4 secs
Computing kpt #: 331
total cpu time spent up to now is 225.0 secs
Computing kpt #: 332
total cpu time spent up to now is 225.7 secs
Computing kpt #: 333
total cpu time spent up to now is 226.3 secs
Computing kpt #: 334
total cpu time spent up to now is 226.9 secs
Computing kpt #: 335
total cpu time spent up to now is 227.5 secs
Computing kpt #: 336
total cpu time spent up to now is 228.1 secs
Computing kpt #: 337
total cpu time spent up to now is 228.7 secs
Computing kpt #: 338
total cpu time spent up to now is 229.3 secs
Computing kpt #: 339
total cpu time spent up to now is 229.9 secs
Computing kpt #: 340
total cpu time spent up to now is 230.5 secs
Computing kpt #: 341
total cpu time spent up to now is 231.1 secs
Computing kpt #: 342
total cpu time spent up to now is 231.7 secs
Computing kpt #: 343
total cpu time spent up to now is 232.3 secs
Computing kpt #: 344
total cpu time spent up to now is 233.0 secs
Computing kpt #: 345
total cpu time spent up to now is 233.6 secs
Computing kpt #: 346
total cpu time spent up to now is 234.2 secs
Computing kpt #: 347
total cpu time spent up to now is 234.9 secs
Computing kpt #: 348
total cpu time spent up to now is 235.5 secs
Computing kpt #: 349
total cpu time spent up to now is 236.2 secs
Computing kpt #: 350
total cpu time spent up to now is 236.9 secs
Computing kpt #: 351
total cpu time spent up to now is 237.7 secs
Computing kpt #: 352
total cpu time spent up to now is 238.5 secs
Computing kpt #: 353
total cpu time spent up to now is 239.4 secs
Computing kpt #: 354
total cpu time spent up to now is 240.3 secs
Computing kpt #: 355
total cpu time spent up to now is 241.2 secs
Computing kpt #: 356
total cpu time spent up to now is 242.0 secs
Computing kpt #: 357
total cpu time spent up to now is 242.6 secs
Computing kpt #: 358
total cpu time spent up to now is 243.2 secs
Computing kpt #: 359
total cpu time spent up to now is 243.7 secs
Computing kpt #: 360
total cpu time spent up to now is 244.3 secs
Computing kpt #: 361
total cpu time spent up to now is 244.8 secs
Computing kpt #: 362
total cpu time spent up to now is 245.4 secs
Computing kpt #: 363
total cpu time spent up to now is 245.9 secs
Computing kpt #: 364
total cpu time spent up to now is 246.5 secs
Computing kpt #: 365
total cpu time spent up to now is 247.0 secs
Computing kpt #: 366
total cpu time spent up to now is 247.6 secs
Computing kpt #: 367
total cpu time spent up to now is 248.1 secs
Computing kpt #: 368
total cpu time spent up to now is 248.7 secs
Computing kpt #: 369
total cpu time spent up to now is 249.2 secs
Computing kpt #: 370
total cpu time spent up to now is 249.8 secs
Computing kpt #: 371
total cpu time spent up to now is 250.5 secs
Computing kpt #: 372
total cpu time spent up to now is 251.1 secs
Computing kpt #: 373
total cpu time spent up to now is 251.8 secs
Computing kpt #: 374
total cpu time spent up to now is 252.4 secs
Computing kpt #: 375
total cpu time spent up to now is 253.3 secs
Computing kpt #: 376
total cpu time spent up to now is 254.1 secs
Computing kpt #: 377
total cpu time spent up to now is 254.9 secs
Computing kpt #: 378
total cpu time spent up to now is 255.7 secs
Computing kpt #: 379
total cpu time spent up to now is 256.4 secs
Computing kpt #: 380
total cpu time spent up to now is 257.3 secs
Computing kpt #: 381
total cpu time spent up to now is 258.1 secs
Computing kpt #: 382
total cpu time spent up to now is 258.7 secs
Computing kpt #: 383
total cpu time spent up to now is 259.3 secs
Computing kpt #: 384
total cpu time spent up to now is 259.9 secs
Computing kpt #: 385
total cpu time spent up to now is 260.5 secs
Computing kpt #: 386
total cpu time spent up to now is 261.0 secs
Computing kpt #: 387
total cpu time spent up to now is 261.6 secs
Computing kpt #: 388
total cpu time spent up to now is 262.1 secs
Computing kpt #: 389
total cpu time spent up to now is 262.7 secs
Computing kpt #: 390
total cpu time spent up to now is 263.3 secs
Computing kpt #: 391
total cpu time spent up to now is 263.9 secs
Computing kpt #: 392
total cpu time spent up to now is 264.4 secs
ethr = 2.78E-08, avg # of iterations = 28.9
total cpu time spent up to now is 264.4 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev):
-4.8028 -4.8028 -3.5214 -3.5214 -3.4535 -3.4535 -1.2467 -1.2467
5.3630 5.3630 10.1708 10.1708 10.2287 10.2287 13.8674 13.8674
14.6154 14.6154 14.6599 14.6599 14.7065 14.7065 15.1014 15.1014
15.8412 15.8412 15.8698 15.8698 16.7751 16.7751 16.8905 16.8905
22.2220 22.2220 22.9649 22.9649 23.4208 23.4208 24.6659 24.6659
24.7963 24.7963 24.9508 24.9508
k = 0.0082 0.0047-0.0000 ( 6269 PWs) bands (ev):
-4.8015 -4.8015 -3.5202 -3.5202 -3.4523 -3.4523 -1.2457 -1.2457
5.3643 5.3643 10.1711 10.1711 10.2291 10.2291 13.8616 13.8616
14.6105 14.6105 14.6519 14.6519 14.7023 14.7023 15.0979 15.0979
15.8352 15.8352 15.8651 15.8651 16.7701 16.7701 16.8884 16.8884
22.2300 22.2300 22.9702 22.9702 23.4274 23.4274 24.6535 24.6535
24.7863 24.7863 24.9402 24.9402
k = 0.0164 0.0095-0.0000 ( 6265 PWs) bands (ev):
-4.7976 -4.7976 -3.5166 -3.5166 -3.4487 -3.4487 -1.2427 -1.2427
5.3683 5.3683 10.1722 10.1722 10.2302 10.2302 13.8441 13.8441
14.5960 14.5960 14.6280 14.6280 14.6897 14.6897 15.0875 15.0875
15.8174 15.8174 15.8515 15.8515 16.7549 16.7549 16.8827 16.8827
22.2537 22.2537 22.9854 22.9854 23.4468 23.4468 24.6038 24.6038
24.7750 24.7750 24.8973 24.8973
k = 0.0246 0.0142-0.0000 ( 6256 PWs) bands (ev):
-4.7912 -4.7912 -3.5105 -3.5105 -3.4425 -3.4425 -1.2376 -1.2376
5.3749 5.3749 10.1741 10.1741 10.2321 10.2321 13.8148 13.8148
14.5715 14.5715 14.5888 14.5888 14.6687 14.6687 15.0701 15.0701
15.7884 15.7884 15.8294 15.8294 16.7291 16.7291 16.8739 16.8739
22.2920 22.2920 23.0096 23.0096 23.4781 23.4781 24.5115 24.5115
24.7821 24.7821 24.8172 24.8172
k = 0.0328 0.0189-0.0000 ( 6236 PWs) bands (ev):
-4.7822 -4.7822 -3.5019 -3.5019 -3.4340 -3.4340 -1.2306 -1.2306
5.3841 5.3841 10.1765 10.1765 10.2347 10.2347 13.7734 13.7734
14.5351 14.5351 14.5368 14.5368 14.6396 14.6396 15.0458 15.0458
15.7489 15.7489 15.7999 15.7999 16.6923 16.6923 16.8630 16.8630
22.3434 22.3434 23.0412 23.0412 23.5194 23.5194 24.3936 24.3936
24.7148 24.7148 24.8044 24.8044
k = 0.0410 0.0237-0.0000 ( 6240 PWs) bands (ev):
-4.7706 -4.7706 -3.4909 -3.4909 -3.4230 -3.4230 -1.2215 -1.2215
5.3960 5.3960 10.1796 10.1796 10.2378 10.2378 13.7195 13.7195
14.4682 14.4682 14.4917 14.4917 14.6023 14.6023 15.0142 15.0142
15.7000 15.7000 15.7642 15.7642 16.6448 16.6448 16.8501 16.8501
22.4054 22.4054 23.0777 23.0777 23.5677 23.5677 24.2647 24.2647
24.6040 24.6040 24.8376 24.8376
k = 0.0492 0.0284-0.0000 ( 6238 PWs) bands (ev):
-4.7565 -4.7565 -3.4775 -3.4775 -3.4096 -3.4096 -1.2105 -1.2105
5.4105 5.4105 10.1831 10.1831 10.2415 10.2415 13.6527 13.6527
14.3899 14.3899 14.4357 14.4357 14.5571 14.5571 14.9755 14.9755
15.6432 15.6432 15.7236 15.7236 16.5874 16.5874 16.8354 16.8354
22.4746 22.4746 23.1164 23.1164 23.6180 23.6180 24.1343 24.1343
24.4952 24.4952 24.8797 24.8797
k = 0.0574 0.0331-0.0000 ( 6244 PWs) bands (ev):
-4.7398 -4.7398 -3.4617 -3.4617 -3.3938 -3.3938 -1.1975 -1.1975
5.4276 5.4276 10.1870 10.1870 10.2456 10.2456 13.5725 13.5725
14.3020 14.3020 14.3688 14.3688 14.5038 14.5038 14.9295 14.9295
15.5799 15.5799 15.6791 15.6791 16.5213 16.5213 16.8188 16.8188
22.5456 22.5456 23.1533 23.1533 23.6619 23.6619 24.0102 24.0102
24.3993 24.3993 24.9301 24.9301
k = 0.0656 0.0379-0.0000 ( 6250 PWs) bands (ev):
-4.7205 -4.7205 -3.4434 -3.4434 -3.3755 -3.3755 -1.1826 -1.1826
5.4473 5.4473 10.1911 10.1911 10.2500 10.2500 13.4785 13.4785
14.2065 14.2065 14.2909 14.2909 14.4423 14.4423 14.8765 14.8765
15.5115 15.5115 15.6317 15.6317 16.4477 16.4477 16.8000 16.8000
22.6111 22.6111 23.1840 23.1840 23.6857 23.6857 23.9011 23.9011
24.3304 24.3304 24.9538 24.9538
k = 0.0738 0.0426-0.0000 ( 6250 PWs) bands (ev):
-4.6988 -4.6988 -3.4228 -3.4228 -3.3549 -3.3549 -1.1657 -1.1657
5.4697 5.4697 10.1953 10.1953 10.2544 10.2544 13.3706 13.3706
14.1051 14.1051 14.2022 14.2022 14.3726 14.3726 14.8173 14.8173
15.4394 15.4394 15.5816 15.5816 16.3682 16.3682 16.7790 16.7790
22.6609 22.6609 23.2026 23.2026 23.6739 23.6739 23.8184 23.8184
24.3035 24.3035 24.9099 24.9099
k = 0.0820 0.0473-0.0000 ( 6250 PWs) bands (ev):
-4.6744 -4.6744 -3.3998 -3.3998 -3.3318 -3.3318 -1.1469 -1.1469
5.4946 5.4946 10.1991 10.1991 10.2586 10.2586 13.2490 13.2490
13.9988 13.9988 14.1033 14.1033 14.2951 14.2951 14.7525 14.7525
15.3650 15.3650 15.5288 15.5288 16.2842 16.2842 16.7556 16.7556
22.6833 22.6833 23.2019 23.2019 23.6214 23.6214 23.7763 23.7763
24.3216 24.3216 24.8805 24.8805
k = 0.0902 0.0521-0.0000 ( 6246 PWs) bands (ev):
-4.6476 -4.6476 -3.3744 -3.3744 -3.3064 -3.3064 -1.1263 -1.1263
5.5221 5.5221 10.2025 10.2025 10.2624 10.2624 13.1144 13.1144
13.8882 13.8882 13.9947 13.9947 14.2102 14.2102 14.6830 14.6830
15.2892 15.2892 15.4729 15.4729 16.1976 16.1976 16.7298 16.7298
22.6694 22.6694 23.1765 23.1765 23.5389 23.5389 23.7854 23.7854
24.3716 24.3716 24.8681 24.8681
k = 0.0984 0.0568-0.0000 ( 6242 PWs) bands (ev):
-4.6182 -4.6182 -3.3466 -3.3466 -3.2786 -3.2786 -1.1038 -1.1038
5.5521 5.5521 10.2050 10.2050 10.2655 10.2655 12.9678 12.9678
13.7732 13.7732 13.8777 13.8777 14.1189 14.1189 14.6095 14.6095
15.2130 15.2130 15.4130 15.4130 16.1100 16.1100 16.7015 16.7015
22.6187 22.6187 23.1270 23.1270 23.4396 23.4396 23.8440 23.8440
24.4359 24.4359 24.8721 24.8721
k = 0.1066 0.0615-0.0000 ( 6252 PWs) bands (ev):
-4.5864 -4.5864 -3.3165 -3.3165 -3.2485 -3.2485 -1.0795 -1.0795
5.5847 5.5847 10.2063 10.2063 10.2674 10.2674 12.8106 12.8106
13.6532 13.6532 13.7537 13.7537 14.0226 14.0226 14.5325 14.5325
15.1368 15.1368 15.3484 15.3484 16.0231 16.0231 16.6707 16.6707
22.5380 22.5380 23.0584 23.0584 23.3321 23.3321 23.9402 23.9402
24.4989 24.4989 24.8892 24.8892
k = 0.1148 0.0663-0.0000 ( 6250 PWs) bands (ev):
-4.5520 -4.5520 -3.2841 -3.2841 -3.2161 -3.2161 -1.0535 -1.0535
5.6199 5.6199 10.2058 10.2058 10.2677 10.2677 12.6445 12.6445
13.5273 13.5273 13.6244 13.6244 13.9226 13.9226 14.4522 14.4522
15.0610 15.0610 15.2785 15.2785 15.9384 15.9384 16.6373 16.6373
22.4367 22.4367 22.9757 22.9757 23.2216 23.2216 24.0612 24.0612
24.5460 24.5460 24.9147 24.9147
k = 0.1230 0.0710-0.0000 ( 6252 PWs) bands (ev):
-4.5152 -4.5152 -3.2493 -3.2493 -3.1814 -3.1814 -1.0257 -1.0257
5.6575 5.6575 10.2029 10.2029 10.2658 10.2658 12.4709 12.4709
13.3952 13.3952 13.4915 13.4915 13.8202 13.8202 14.3687 14.3687
14.9859 14.9859 15.2031 15.2031 15.8569 15.8569 16.6013 16.6013
22.3221 22.3221 22.8823 22.8823 23.1105 23.1105 24.1956 24.1956
24.5610 24.5610 24.9442 24.9442
k = 0.1311 0.0757-0.0000 ( 6246 PWs) bands (ev):
-4.4759 -4.4759 -3.2123 -3.2123 -3.1443 -3.1443 -0.9963 -0.9963
5.6977 5.6977 10.1969 10.1969 10.2610 10.2610 12.2915 12.2915
13.2568 13.2568 13.3567 13.3567 13.7166 13.7166 14.2821 14.2821
14.9116 14.9116 15.1224 15.1224 15.7793 15.7793 16.5628 16.5628
22.2000 22.2000 22.7812 22.7812 23.0004 23.0004 24.3331 24.3331
24.5299 24.5299 24.9767 24.9767
k = 0.1393 0.0805-0.0000 ( 6254 PWs) bands (ev):
-4.4341 -4.4341 -3.1731 -3.1731 -3.1051 -3.1051 -0.9652 -0.9652
5.7403 5.7403 10.1869 10.1869 10.2526 10.2526 12.1078 12.1078
13.1132 13.1132 13.2213 13.2213 13.6122 13.6122 14.1924 14.1924
14.8380 14.8380 15.0372 15.0372 15.7055 15.7055 16.5218 16.5218
22.0736 22.0736 22.6749 22.6749 22.8920 22.8920 24.4394 24.4394
24.4702 24.4702 25.0175 25.0175
k = 0.1475 0.0852-0.0000 ( 6254 PWs) bands (ev):
-4.3900 -4.3900 -3.1316 -3.1316 -3.0636 -3.0636 -0.9326 -0.9326
5.7853 5.7853 10.1718 10.1718 10.2396 10.2396 11.9211 11.9211
12.9660 12.9660 13.0865 13.0865 13.5074 13.5074 14.0996 14.0996
14.7652 14.7652 14.9487 14.9487 15.6353 15.6353 16.4784 16.4784
21.9452 21.9452 22.5654 22.5654 22.7858 22.7858 24.3246 24.3246
24.5623 24.5623 25.0810 25.0810
k = 0.1557 0.0899-0.0000 ( 6262 PWs) bands (ev):
-4.3434 -4.3434 -3.0880 -3.0880 -3.0200 -3.0200 -0.8986 -0.8986
5.8327 5.8327 10.1505 10.1505 10.2210 10.2210 11.7328 11.7328
12.8169 12.8169 12.9533 12.9533 13.4021 13.4021 14.0041 14.0041
14.6932 14.6932 14.8582 14.8582 15.5678 15.5678 16.4326 16.4326
21.8162 21.8162 22.4543 22.4543 22.6821 22.6821 24.1767 24.1767
24.6156 24.6156 25.1825 25.1825
k = 0.1639 0.0946-0.0000 ( 6270 PWs) bands (ev):
-4.2945 -4.2945 -3.0422 -3.0422 -2.9742 -2.9742 -0.8631 -0.8631
5.8824 5.8824 10.1213 10.1213 10.1955 10.1955 11.5444 11.5444
12.6680 12.6680 12.8234 12.8234 13.2964 13.2964 13.9064 13.9064
14.6220 14.6220 14.7670 14.7670 15.5024 15.5024 16.3846 16.3846
21.6877 21.6877 22.3428 22.3428 22.5809 22.5809 24.0138 24.0138
24.6242 24.6242 25.3213 25.3213
k = 0.1721 0.0994-0.0000 ( 6274 PWs) bands (ev):
-4.2432 -4.2432 -2.9942 -2.9942 -2.9262 -2.9262 -0.8262 -0.8262
5.9345 5.9345 10.0825 10.0825 10.1620 10.1620 11.3572 11.3572
12.5207 12.5207 12.6982 12.6982 13.1900 13.1900 13.8071 13.8071
14.5515 14.5515 14.6763 14.6763 15.4382 15.4382 16.3344 16.3344
21.5602 21.5602 22.2320 22.2320 22.4822 22.4822 23.8437 23.8437
24.6016 24.6016 25.4837 25.4837
k = 0.1803 0.1041-0.0000 ( 6286 PWs) bands (ev):
-4.1895 -4.1895 -2.9442 -2.9442 -2.8762 -2.8762 -0.7882 -0.7882
5.9888 5.9888 10.0320 10.0320 10.1193 10.1193 11.1726 11.1726
12.3768 12.3768 12.5796 12.5796 13.0829 13.0829 13.7071 13.7071
14.4819 14.4819 14.5870 14.5870 15.3747 15.3747 16.2823 16.2823
21.4344 21.4344 22.1225 22.1225 22.3858 22.3858 23.6709 23.6709
24.5596 24.5596 25.6480 25.6480
k = 0.1885 0.1088-0.0000 ( 6282 PWs) bands (ev):
-4.1336 -4.1336 -2.8922 -2.8922 -2.8242 -2.8242 -0.7490 -0.7490
6.0453 6.0453 9.9678 9.9678 10.0662 10.0662 10.9918 10.9918
12.2373 12.2373 12.4692 12.4692 12.9755 12.9755 13.6074 13.6074
14.4130 14.4130 14.4997 14.4997 15.3113 15.3113 16.2284 16.2284
21.3106 21.3106 22.0151 22.0151 22.2917 22.2917 23.4984 23.4984
24.5053 24.5053 25.7096 25.7096
k = 0.1967 0.1136-0.0000 ( 6288 PWs) bands (ev):
-4.0754 -4.0754 -2.8382 -2.8382 -2.7702 -2.7702 -0.7087 -0.7087
6.1040 6.1040 9.8879 9.8879 10.0020 10.0020 10.8159 10.8159
12.1030 12.1030 12.3683 12.3683 12.8684 12.8684 13.5089 13.5089
14.3449 14.3449 14.4149 14.4149 15.2475 15.2475 16.1729 16.1729
21.1889 21.1889 21.9100 21.9100 22.1993 22.1993 23.3279 23.3279
24.4428 24.4428 25.7260 25.7260
k = 0.2049 0.1183-0.0000 ( 6292 PWs) bands (ev):
-4.0149 -4.0149 -2.7822 -2.7822 -2.7143 -2.7143 -0.6675 -0.6675
6.1646 6.1646 9.7910 9.7910 9.9262 9.9262 10.6455 10.6455
11.9742 11.9742 12.2781 12.2781 12.7627 12.7627 13.4126 13.4126
14.2774 14.2774 14.3330 14.3330 15.1829 15.1829 16.1161 16.1161
21.0698 21.0698 21.8078 21.8078 22.1084 22.1084 23.1610 23.1610
24.3747 24.3747 25.7328 25.7328
k = 0.2131 0.1230-0.0000 ( 6286 PWs) bands (ev):
-3.9523 -3.9523 -2.7244 -2.7244 -2.6566 -2.6566 -0.6255 -0.6255
6.2272 6.2272 9.6769 9.6769 9.8387 9.8387 10.4805 10.4805
11.8501 11.8501 12.1991 12.1991 12.6600 12.6600 13.3192 13.3192
14.2102 14.2102 14.2545 14.2545 15.1174 15.1174 16.0581 16.0581
20.9532 20.9532 21.7086 21.7086 22.0185 22.0185 22.9990 22.9990
24.3025 24.3025 25.7324 25.7324
k = 0.2213 0.1278-0.0000 ( 6286 PWs) bands (ev):
-3.8875 -3.8875 -2.6648 -2.6648 -2.5970 -2.5970 -0.5828 -0.5828
6.2917 6.2917 9.5468 9.5468 9.7397 9.7397 10.3201 10.3201
11.7294 11.7294 12.1314 12.1314 12.5623 12.5623 13.2292 13.2292
14.1430 14.1430 14.1799 14.1799 15.0506 15.0506 15.9993 15.9993
20.8396 20.8396 21.6126 21.6126 21.9290 21.9290 22.8428 22.8428
24.2272 24.2272 25.7255 25.7255
k = 0.2295 0.1325-0.0000 ( 6286 PWs) bands (ev):
-3.8206 -3.8206 -2.6035 -2.6035 -2.5358 -2.5358 -0.5396 -0.5396
6.3577 6.3577 9.4030 9.4030 9.6299 9.6299 10.1630 10.1630
11.6099 11.6099 12.0745 12.0745 12.4720 12.4720 13.1431 13.1431
14.0752 14.0752 14.1097 14.1097 14.9825 14.9825 15.9400 15.9400
20.7287 20.7287 21.5201 21.5201 21.8390 21.8390 22.6933 22.6933
24.1494 24.1494 25.7116 25.7116
k = 0.2377 0.1372-0.0000 ( 6290 PWs) bands (ev):
-3.7516 -3.7516 -2.5405 -2.5405 -2.4728 -2.4728 -0.4959 -0.4959
6.4253 6.4253 9.2482 9.2482 9.5103 9.5103 10.0078 10.0078
11.4892 11.4892 12.0274 12.0274 12.3914 12.3914 13.0612 13.0612
14.0071 14.0071 14.0438 14.0438 14.9131 14.9131 15.8805 15.8805
20.6208 20.6208 21.4311 21.4311 21.7480 21.7480 22.5515 22.5515
24.0693 24.0693 25.6854 25.6854
k = 0.2459 0.1420-0.0000 ( 6288 PWs) bands (ev):
-3.6806 -3.6806 -2.4759 -2.4759 -2.4084 -2.4084 -0.4521 -0.4521
6.4941 6.4941 9.0856 9.0856 9.3822 9.3822 9.8534 9.8534
11.3650 11.3650 11.9889 11.9889 12.3220 12.3220 12.9835 12.9835
13.9393 13.9393 13.9816 13.9816 14.8423 14.8423 15.8209 15.8209
20.5160 20.5160 21.3457 21.3457 21.6553 21.6553 22.4183 22.4183
23.9873 23.9873 25.6335 25.6335
k = 0.2541 0.1467-0.0000 ( 6286 PWs) bands (ev):
-3.6077 -3.6077 -2.4098 -2.4098 -2.3424 -2.3424 -0.4083 -0.4083
6.5639 6.5639 8.9176 8.9176 9.2468 9.2468 9.6995 9.6995
11.2359 11.2359 11.9574 11.9574 12.2647 12.2647 12.9104 12.9104
13.8728 13.8728 13.9222 13.9222 14.7702 14.7702 15.7618 15.7618
20.4143 20.4143 21.2642 21.2642 21.5601 21.5601 22.2943 22.2943
23.9033 23.9033 25.5537 25.5537
k = 0.2623 0.1514-0.0000 ( 6278 PWs) bands (ev):
-3.5329 -3.5329 -2.3423 -2.3423 -2.2752 -2.2752 -0.3646 -0.3646
6.6342 6.6342 8.7466 8.7466 9.1059 9.1059 9.5459 9.5459
11.1011 11.1011 11.9312 11.9312 12.2194 12.2194 12.8418 12.8418
13.8081 13.8081 13.8653 13.8653 14.6969 14.6969 15.7032 15.7032
20.3158 20.3158 21.1864 21.1864 21.4620 21.4620 22.1800 22.1800
23.8172 23.8172 25.4435 25.4435
k = 0.2705 0.1562-0.0000 ( 6270 PWs) bands (ev):
-3.4562 -3.4562 -2.2736 -2.2736 -2.2066 -2.2066 -0.3213 -0.3213
6.7045 6.7045 8.5742 8.5742 8.9607 8.9607 9.3932 9.3932
10.9607 10.9607 11.9089 11.9089 12.1853 12.1853 12.7779 12.7779
13.7455 13.7455 13.8107 13.8107 14.6227 14.6227 15.6456 15.6456
20.2205 20.2205 21.1125 21.1125 21.3609 21.3609 22.0754 22.0754
23.7289 23.7289 25.3156 25.3156
k = 0.2787 0.1609-0.0000 ( 6284 PWs) bands (ev):
-3.3778 -3.3778 -2.2037 -2.2037 -2.1370 -2.1370 -0.2786 -0.2786
6.7741 6.7741 8.4018 8.4018 8.8129 8.8129 9.2423 9.2423
10.8151 10.8151 11.8888 11.8888 12.1607 12.1607 12.7188 12.7188
13.6852 13.6852 13.7582 13.7582 14.5479 14.5479 15.5892 15.5892
20.1284 20.1284 21.0426 21.0426 21.2572 21.2572 21.9801 21.9801
23.6382 23.6382 25.1831 25.1831
k = 0.2869 0.1656-0.0000 ( 6284 PWs) bands (ev):
-3.2977 -3.2977 -2.1327 -2.1327 -2.0664 -2.0664 -0.2367 -0.2367
6.8420 6.8420 8.2307 8.2307 8.6639 8.6639 9.0943 9.0943
10.6654 10.6654 11.8695 11.8695 12.1441 12.1441 12.6647 12.6647
13.6274 13.6274 13.7080 13.7080 14.4728 14.4728 15.5343 15.5343
20.0396 20.0396 20.9766 20.9766 21.1513 21.1513 21.8937 21.8937
23.5448 23.5448 25.0516 25.0516
k = 0.2951 0.1704-0.0000 ( 6296 PWs) bands (ev):
-3.2160 -3.2160 -2.0609 -2.0609 -1.9949 -1.9949 -0.1959 -0.1959
6.9067 6.9067 8.0618 8.0618 8.5153 8.5153 8.9505 8.9505
10.5124 10.5124 11.8499 11.8499 12.1334 12.1334 12.6158 12.6158
13.5722 13.5722 13.6599 13.6599 14.3979 14.3979 15.4809 15.4809
19.9541 19.9541 20.9147 20.9147 21.0441 21.0441 21.8152 21.8152
23.4485 23.4485 24.9235 24.9235
k = 0.3033 0.1751-0.0000 ( 6296 PWs) bands (ev):
-3.1329 -3.1329 -1.9883 -1.9883 -1.9228 -1.9228 -0.1565 -0.1565
6.9660 6.9660 7.8960 7.8960 8.3688 8.3688 8.8128 8.8128
10.3571 10.3571 11.8290 11.8290 12.1269 12.1269 12.5721 12.5721
13.5198 13.5198 13.6141 13.6141 14.3238 14.3238 15.4295 15.4295
19.8720 19.8720 20.8568 20.8568 20.9366 20.9366 21.7435 21.7435
23.3492 23.3492 24.8005 24.8005
k = 0.3115 0.1798-0.0000 ( 6306 PWs) bands (ev):
-3.0484 -3.0484 -1.9151 -1.9151 -1.8501 -1.8501 -0.1186 -0.1186
7.0167 7.0167 7.7344 7.7344 8.2263 8.2263 8.6835 8.6835
10.2003 10.2003 11.8059 11.8059 12.1226 12.1226 12.5338 12.5338
13.4703 13.4703 13.5704 13.5704 14.2512 14.2512 15.3800 15.3800
19.7931 19.7931 20.8024 20.8024 20.8302 20.8302 21.6779 21.6779
23.2467 23.2467 24.6834 24.6834
k = 0.3197 0.1846-0.0000 ( 6298 PWs) bands (ev):
-2.9626 -2.9626 -1.8415 -1.8415 -1.7772 -1.7772 -0.0827 -0.0827
7.0538 7.0538 7.5784 7.5784 8.0900 8.0900 8.5659 8.5659
10.0427 10.0427 11.7801 11.7801 12.1188 12.1188 12.5009 12.5009
13.4241 13.4241 13.5289 13.5289 14.1808 14.1808 15.3327 15.3327
19.7177 19.7177 20.7220 20.7220 20.7552 20.7552 21.6176 21.6176
23.1411 23.1411 24.5731 24.5731
k = 0.3279 0.1893-0.0000 ( 6302 PWs) bands (ev):
-2.8757 -2.8757 -1.7677 -1.7677 -1.7043 -1.7043 -0.0489 -0.0489
7.0697 7.0697 7.4306 7.4306 7.9625 7.9625 8.4642 8.4642
9.8852 9.8852 11.7512 11.7512 12.1136 12.1136 12.4735 12.4735
13.3812 13.3812 13.4894 13.4894 14.1134 14.1134 15.2877 15.2877
19.6456 19.6456 20.6185 20.6185 20.7095 20.7095 21.5617 21.5617
23.0325 23.0325 24.4698 24.4698
k = 0.3361 0.1940-0.0000 ( 6302 PWs) bands (ev):
-2.7878 -2.7878 -1.6940 -1.6940 -1.6315 -1.6315 -0.0177 -0.0177
7.0532 7.0532 7.2960 7.2960 7.8460 7.8460 8.3837 8.3837
9.7283 9.7283 11.7190 11.7190 12.1054 12.1054 12.4515 12.4515
13.3416 13.3416 13.4520 13.4520 14.0498 14.0498 15.2451 15.2451
19.5769 19.5769 20.5168 20.5168 20.6686 20.6686 21.5098 21.5098
22.9213 22.9213 24.3739 24.3739
k = 0.3443 0.1988-0.0000 ( 6298 PWs) bands (ev):
-2.6991 -2.6991 -1.6204 -1.6204 -1.5592 -1.5592 0.0109 0.0109
6.9924 6.9924 7.1821 7.1821 7.7409 7.7409 8.3299 8.3299
9.5727 9.5727 11.6833 11.6833 12.0929 12.0929 12.4347 12.4347
13.3055 13.3055 13.4167 13.4167 13.9910 13.9910 15.2049 15.2049
19.5115 19.5115 20.4179 20.4179 20.6323 20.6323 21.4614 21.4614
22.8079 22.8079 24.2851 24.2851
k = 0.3525 0.2035-0.0000 ( 6302 PWs) bands (ev):
-2.6098 -2.6098 -1.5474 -1.5474 -1.4875 -1.4875 0.0364 0.0364
6.8915 6.8915 7.0846 7.0846 7.6456 7.6456 8.3061 8.3061
9.4190 9.4190 11.6441 11.6441 12.0753 12.0753 12.4227 12.4227
13.2727 13.2727 13.3834 13.3834 13.9376 13.9376 15.1672 15.1672
19.4495 19.4495 20.3221 20.3221 20.6003 20.6003 21.4162 21.4162
22.6928 22.6928 24.2034 24.2034
k = 0.3607 0.2082-0.0000 ( 6294 PWs) bands (ev):
-2.5200 -2.5200 -1.4752 -1.4752 -1.4170 -1.4170 0.0587 0.0587
6.7717 6.7717 6.9873 6.9873 7.5565 7.5565 8.3115 8.3115
9.2679 9.2679 11.6012 11.6012 12.0523 12.0523 12.4147 12.4147
13.2428 13.2428 13.3524 13.3524 13.8903 13.8903 15.1321 15.1321
19.3908 19.3908 20.2298 20.2298 20.5729 20.5729 21.3738 21.3738
22.5766 22.5766 24.1285 24.1285
k = 0.3689 0.2130-0.0000 ( 6292 PWs) bands (ev):
-2.4301 -2.4301 -1.4040 -1.4040 -1.3479 -1.3479 0.0776 0.0776
6.6475 6.6475 6.8837 6.8837 7.4717 7.4717 8.3411 8.3411
9.1205 9.1205 11.5545 11.5545 12.0243 12.0243 12.4097 12.4097
13.2152 13.2152 13.3243 13.3243 13.8495 13.8495 15.0996 15.0996
19.3355 19.3355 20.1412 20.1412 20.5500 20.5500 21.3341 21.3341
22.4600 22.4600 24.0600 24.0600
k = 0.3770 0.2177-0.0000 ( 6280 PWs) bands (ev):
-2.3402 -2.3402 -1.3342 -1.3342 -1.2806 -1.2806 0.0929 0.0929
6.5247 6.5247 6.7751 6.7751 7.3908 7.3908 8.3880 8.3880
8.9785 8.9785 11.5036 11.5036 11.9922 11.9922 12.4069 12.4069
13.1889 13.1889 13.2998 13.2998 13.8152 13.8152 15.0696 15.0696
19.2836 19.2836 20.0567 20.0567 20.5318 20.5318 21.2970 21.2970
22.3435 22.3435 23.9975 23.9975
k = 0.3852 0.2224-0.0000 ( 6290 PWs) bands (ev):
-2.2506 -2.2506 -1.2662 -1.2662 -1.2155 -1.2155 0.1045 0.1045
6.4056 6.4056 6.6645 6.6645 7.3147 7.3147 8.4423 8.4423
8.8469 8.8469 11.4483 11.4483 11.9571 11.9571 12.4053 12.4053
13.1632 13.1632 13.2796 13.2796 13.7873 13.7873 15.0422 15.0422
19.2351 19.2351 19.9763 19.9763 20.5182 20.5182 21.2622 21.2622
22.2279 22.2279 23.9407 23.9407
k = 0.3934 0.2272-0.0000 ( 6286 PWs) bands (ev):
-2.1618 -2.1618 -1.2002 -1.2002 -1.1531 -1.1531 0.1123 0.1123
6.2915 6.2915 6.5547 6.5547 7.2449 7.2449 8.4828 8.4828
8.7433 8.7433 11.3883 11.3883 11.9203 11.9203 12.4042 12.4042
13.1375 13.1375 13.2642 13.2642 13.7654 13.7654 15.0173 15.0173
19.1899 19.1899 19.9004 19.9004 20.5094 20.5094 21.2298 21.2298
22.1137 22.1137 23.8893 23.8893
k = 0.4016 0.2319-0.0000 ( 6296 PWs) bands (ev):
-2.0740 -2.0740 -1.1367 -1.1367 -1.0938 -1.0938 0.1166 0.1166
6.1831 6.1831 6.4477 6.4477 7.1823 7.1823 8.4550 8.4550
8.7198 8.7198 11.3231 11.3231 11.8832 11.8832 12.4032 12.4032
13.1117 13.1117 13.2536 13.2536 13.7488 13.7488 14.9950 14.9950
19.1480 19.1480 19.8290 19.8290 20.5053 20.5053 21.1996 21.1996
22.0015 22.0015 23.8427 23.8427
k = 0.4098 0.2366-0.0000 ( 6296 PWs) bands (ev):
-1.9877 -1.9877 -1.0761 -1.0761 -1.0383 -1.0383 0.1173 0.1173
6.0810 6.0810 6.3451 6.3451 7.1281 7.1281 8.3581 8.3581
8.7752 8.7752 11.2527 11.2527 11.8469 11.8469 12.4019 12.4019
13.0861 13.0861 13.2471 13.2471 13.7368 13.7368 14.9750 14.9750
19.1096 19.1096 19.7624 19.7624 20.5059 20.5059 21.1718 21.1718
21.8919 21.8919 23.8008 23.8008
k = 0.4180 0.2414-0.0000 ( 6292 PWs) bands (ev):
-1.9035 -1.9035 -1.0188 -1.0188 -0.9870 -0.9870 0.1149 0.1149
5.9856 5.9856 6.2479 6.2479 7.0828 7.0828 8.2425 8.2425
8.8580 8.8580 11.1773 11.1773 11.8124 11.8124 12.4003 12.4003
13.0614 13.0614 13.2441 13.2441 13.7286 13.7286 14.9574 14.9574
19.0744 19.0744 19.7008 19.7008 20.5114 20.5114 21.1462 21.1462
21.7853 21.7853 23.7633 23.7633
k = 0.4262 0.2461-0.0000 ( 6292 PWs) bands (ev):
-1.8219 -1.8219 -0.9652 -0.9652 -0.9404 -0.9404 0.1097 0.1097
5.8975 5.8975 6.1573 6.1573 7.0469 7.0469 8.1253 8.1253
8.9504 8.9504 11.0973 11.0973 11.7805 11.7805 12.3984 12.3984
13.0380 13.0380 13.2438 13.2438 13.7235 13.7235 14.9421 14.9421
19.0427 19.0427 19.6444 19.6444 20.5215 20.5215 21.1230 21.1230
21.6823 21.6823 23.7299 23.7299
k = 0.4344 0.2508-0.0000 ( 6298 PWs) bands (ev):
-1.7437 -1.7437 -0.9158 -0.9158 -0.8992 -0.8992 0.1023 0.1023
5.8170 5.8170 6.0740 6.0740 7.0206 7.0206 8.0111 8.0111
9.0471 9.0471 11.0133 11.0133 11.7516 11.7516 12.3962 12.3962
13.0162 13.0162 13.2453 13.2453 13.7208 13.7208 14.9289 14.9289
19.0142 19.0142 19.5932 19.5932 20.5363 20.5363 21.1020 21.1020
21.5833 21.5833 23.7006 23.7006
k = 0.4426 0.2555-0.0000 ( 6290 PWs) bands (ev):
-1.6698 -1.6698 -0.8709 -0.8709 -0.8637 -0.8637 0.0934 0.0934
5.7446 5.7446 5.9988 5.9988 7.0039 7.0039 7.9019 7.9019
9.1454 9.1454 10.9266 10.9266 11.7260 11.7260 12.3938 12.3938
12.9966 12.9966 13.2481 13.2481 13.7198 13.7198 14.9177 14.9177
18.9892 18.9892 19.5476 19.5476 20.5556 20.5556 21.0834 21.0834
21.4889 21.4889 23.6750 23.6750
k = 0.4508 0.2603-0.0000 ( 6278 PWs) bands (ev):
-1.6011 -1.6011 -0.8342 -0.8342 -0.8310 -0.8310 0.0836 0.0836
5.6808 5.6808 5.9322 5.9322 6.9964 6.9964 7.7992 7.7992
9.2434 9.2434 10.8384 10.8384 11.7038 11.7038 12.3914 12.3914
12.9793 12.9793 13.2516 13.2516 13.7200 13.7200 14.9084 14.9084
18.9674 18.9674 19.5077 19.5077 20.5791 20.5791 21.0672 21.0672
21.3998 21.3998 23.6532 23.6532
k = 0.4590 0.2650-0.0000 ( 6286 PWs) bands (ev):
-1.5389 -1.5389 -0.8107 -0.8107 -0.7965 -0.7965 0.0737 0.0737
5.6260 5.6260 5.8750 5.8750 6.9975 6.9975 7.7041 7.7041
9.3390 9.3390 10.7509 10.7509 11.6851 11.6851 12.3891 12.3891
12.9644 12.9644 13.2553 13.2553 13.7209 13.7209 14.9008 14.9008
18.9490 18.9490 19.4736 19.4736 20.6063 20.6063 21.0533 21.0533
21.3165 21.3165 23.6349 23.6349
k = 0.4672 0.2697-0.0000 ( 6282 PWs) bands (ev):
-1.4846 -1.4846 -0.7932 -0.7932 -0.7678 -0.7678 0.0645 0.0645
5.5805 5.5805 5.8274 5.8274 7.0060 7.0060 7.6183 7.6183
9.4296 9.4296 10.6665 10.6665 11.6699 11.6699 12.3870 12.3870
12.9522 12.9522 13.2589 13.2589 13.7221 13.7221 14.8948 14.8948
18.9340 18.9340 19.4455 19.4455 20.6363 20.6363 21.0419 21.0419
21.2404 21.2404 23.6200 23.6200
k = 0.4754 0.2745-0.0000 ( 6284 PWs) bands (ev):
-1.4397 -1.4397 -0.7810 -0.7810 -0.7450 -0.7450 0.0566 0.0566
5.5448 5.5448 5.7900 5.7900 7.0201 7.0201 7.5439 7.5439
9.5116 9.5116 10.5893 10.5893 11.6581 11.6581 12.3852 12.3852
12.9426 12.9426 13.2620 13.2620 13.7234 13.7234 14.8903 14.8903
18.9223 18.9223 19.4235 19.4235 20.6674 20.6674 21.0329 21.0329
21.1733 21.1733 23.6085 23.6085
k = 0.4836 0.2792-0.0000 ( 6280 PWs) bands (ev):
-1.4061 -1.4061 -0.7733 -0.7733 -0.7286 -0.7286 0.0506 0.0506
5.5190 5.5190 5.7630 5.7630 7.0364 7.0364 7.4844 7.4844
9.5792 9.5792 10.5249 10.5249 11.6498 11.6498 12.3839 12.3839
12.9357 12.9357 13.2643 13.2643 13.7244 13.7244 14.8871 14.8871
18.9140 18.9140 19.4077 19.4077 20.6968 20.6968 21.0262 21.0262
21.1183 21.1183 23.6003 23.6003
k = 0.4918 0.2839-0.0000 ( 6284 PWs) bands (ev):
-1.3851 -1.3851 -0.7693 -0.7693 -0.7187 -0.7187 0.0469 0.0469
5.5035 5.5035 5.7467 5.7467 7.0502 7.0502 7.4446 7.4446
9.6251 9.6251 10.4809 10.4809 11.6448 11.6448 12.3831 12.3831
12.9315 12.9315 13.2658 13.2658 13.7251 13.7251 14.8853 14.8853
18.9089 18.9089 19.3982 19.3982 20.7192 20.7192 21.0219 21.0219
21.0808 21.0808 23.5955 23.5955
k = 0.5000 0.2887-0.0000 ( 6278 PWs) bands (ev):
-1.3780 -1.3780 -0.7680 -0.7680 -0.7154 -0.7154 0.0456 0.0456
5.4983 5.4983 5.7413 5.7413 7.0557 7.0557 7.4304 7.4304
9.6416 9.6416 10.4650 10.4650 11.6431 11.6431 12.3828 12.3828
12.9301 12.9301 13.2663 13.2663 13.7254 13.7254 14.8847 14.8847
18.9073 18.9073 19.3950 19.3950 20.7279 20.7279 21.0202 21.0202
21.0673 21.0673 23.5938 23.5938
k = 0.5000 0.2887-0.0000 ( 6278 PWs) bands (ev):
-1.3780 -1.3780 -0.7680 -0.7680 -0.7154 -0.7154 0.0456 0.0456
5.4983 5.4983 5.7413 5.7413 7.0557 7.0557 7.4304 7.4304
9.6416 9.6416 10.4650 10.4650 11.6431 11.6431 12.3828 12.3828
12.9301 12.9301 13.2663 13.2663 13.7254 13.7254 14.8847 14.8847
18.9073 18.9073 19.3950 19.3950 20.7279 20.7279 21.0202 21.0202
21.0673 21.0673 23.5938 23.5938
k = 0.4952 0.2969-0.0000 ( 6286 PWs) bands (ev):
-1.3769 -1.3769 -0.7672 -0.7672 -0.7146 -0.7146 0.0458 0.0458
5.4996 5.4996 5.7426 5.7426 7.0568 7.0568 7.4314 7.4314
9.6426 9.6426 10.4633 10.4633 11.6341 11.6341 12.3718 12.3718
12.9190 12.9190 13.2738 13.2738 13.7226 13.7226 14.8769 14.8769
18.9205 18.9205 19.4014 19.4014 20.7391 20.7391 21.0269 21.0269
21.0701 21.0701 23.6044 23.6044
k = 0.4905 0.3052-0.0000 ( 6286 PWs) bands (ev):
-1.3738 -1.3738 -0.7649 -0.7649 -0.7124 -0.7124 0.0465 0.0465
5.5037 5.5037 5.7467 5.7467 7.0602 7.0602 7.4342 7.4342
9.6454 9.6454 10.4581 10.4581 11.6074 11.6074 12.3392 12.3392
12.8883 12.8883 13.2936 13.2936 13.7142 13.7142 14.8538 14.8538
18.9601 18.9601 19.4203 19.4203 20.7725 20.7725 21.0469 21.0469
21.0788 21.0788 23.6361 23.6361
k = 0.4857 0.3134-0.0000 ( 6286 PWs) bands (ev):
-1.3686 -1.3686 -0.7610 -0.7610 -0.7087 -0.7087 0.0477 0.0477
5.5105 5.5105 5.7535 5.7535 7.0657 7.0657 7.4389 7.4389
9.6501 9.6501 10.4492 10.4492 11.5636 11.5636 12.2865 12.2865
12.8429 12.8429 13.3199 13.3199 13.7006 13.7006 14.8162 14.8162
19.0254 19.0254 19.4506 19.4506 20.8277 20.8277 21.0781 21.0781
21.0955 21.0955 23.5456 23.5456
k = 0.4810 0.3217-0.0000 ( 6278 PWs) bands (ev):
-1.3613 -1.3613 -0.7555 -0.7555 -0.7036 -0.7036 0.0492 0.0492
5.5199 5.5199 5.7630 5.7630 7.0735 7.0735 7.4454 7.4454
9.6565 9.6565 10.4363 10.4363 11.5038 11.5038 12.2156 12.2156
12.7873 12.7873 13.3474 13.3474 13.6824 13.6824 14.7651 14.7651
19.1152 19.1152 19.4909 19.4909 20.9038 20.9038 21.1051 21.1051
21.1358 21.1358 23.3849 23.3849
k = 0.4762 0.3299-0.0000 ( 6286 PWs) bands (ev):
-1.3519 -1.3519 -0.7486 -0.7486 -0.6970 -0.6970 0.0512 0.0512
5.5321 5.5321 5.7752 5.7752 7.0834 7.0834 7.4537 7.4537
9.6647 9.6647 10.4190 10.4190 11.4294 11.4294 12.1287 12.1287
12.7241 12.7241 13.3718 13.3718 13.6610 13.6610 14.7022 14.7022
19.2283 19.2283 19.5395 19.5395 20.9992 20.9992 21.1293 21.1293
21.1989 21.1989 23.2184 23.2184
k = 0.4714 0.3382-0.0000 ( 6292 PWs) bands (ev):
-1.3405 -1.3405 -0.7401 -0.7401 -0.6890 -0.6890 0.0535 0.0535
5.5469 5.5469 5.7901 5.7901 7.0955 7.0955 7.4637 7.4637
9.6743 9.6743 10.3966 10.3966 11.3422 11.3422 12.0281 12.0281
12.6554 12.6554 13.3882 13.3882 13.6391 13.6391 14.6294 14.6294
19.3631 19.3631 19.5941 19.5941 21.1080 21.1080 21.1618 21.1618
21.2787 21.2787 23.0508 23.0508
k = 0.4667 0.3464-0.0000 ( 6292 PWs) bands (ev):
-1.3270 -1.3270 -0.7302 -0.7302 -0.6796 -0.6796 0.0561 0.0561
5.5644 5.5644 5.8076 5.8076 7.1096 7.1096 7.4753 7.4753
9.6853 9.6853 10.3685 10.3685 11.2439 11.2439 11.9160 11.9160
12.5832 12.5832 13.3897 13.3897 13.6222 13.6222 14.5488 14.5488
19.5179 19.5179 19.6528 19.6528 21.1737 21.1737 21.2581 21.2581
21.3747 21.3747 22.8845 22.8845
k = 0.4619 0.3547-0.0000 ( 6292 PWs) bands (ev):
-1.3116 -1.3116 -0.7188 -0.7188 -0.6689 -0.6689 0.0589 0.0589
5.5846 5.5846 5.8279 5.8279 7.1257 7.1257 7.4885 7.4885
9.6973 9.6973 10.3339 10.3339 11.1365 11.1365 11.7943 11.7943
12.5091 12.5091 13.3694 13.3694 13.6161 13.6161 14.4628 14.4628
19.6912 19.6912 19.7138 19.7138 21.2081 21.2081 21.4047 21.4047
21.4869 21.4869 22.7210 22.7210
k = 0.4571 0.3629-0.0000 ( 6286 PWs) bands (ev):
-1.2941 -1.2941 -0.7061 -0.7061 -0.6569 -0.6569 0.0619 0.0619
5.6075 5.6075 5.8508 5.8508 7.1438 7.1438 7.5031 7.5031
9.7098 9.7098 10.2921 10.2921 11.0222 11.0222 11.6648 11.6648
12.4352 12.4352 13.3246 13.3246 13.6222 13.6222 14.3738 14.3738
19.7755 19.7755 19.8811 19.8811 21.2423 21.2423 21.5687 21.5687
21.6146 21.6146 22.5616 22.5616
k = 0.4524 0.3712-0.0000 ( 6292 PWs) bands (ev):
-1.2746 -1.2746 -0.6920 -0.6920 -0.6436 -0.6436 0.0649 0.0649
5.6330 5.6330 5.8764 5.8764 7.1638 7.1638 7.5189 7.5189
9.7222 9.7222 10.2421 10.2421 10.9033 10.9033 11.5291 11.5291
12.3633 12.3633 13.2584 13.2584 13.6370 13.6370 14.2840 14.2840
19.8368 19.8368 20.0863 20.0863 21.2780 21.2780 21.7462 21.7462
21.7573 21.7573 22.4071 22.4071
k = 0.4476 0.3794-0.0000 ( 6292 PWs) bands (ev):
-1.2532 -1.2532 -0.6766 -0.6766 -0.6291 -0.6291 0.0679 0.0679
5.6611 5.6611 5.9046 5.9046 7.1855 7.1855 7.5359 7.5359
9.7335 9.7335 10.1833 10.1833 10.7824 10.7824 11.3886 11.3886
12.2951 12.2951 13.1741 13.1741 13.6563 13.6563 14.1951 14.1951
19.8971 19.8971 20.3051 20.3051 21.3154 21.3154 21.9104 21.9104
21.9372 21.9372 22.2591 22.2591
k = 0.4429 0.3876-0.0000 ( 6294 PWs) bands (ev):
-1.2299 -1.2299 -0.6601 -0.6601 -0.6136 -0.6136 0.0708 0.0708
5.6919 5.6919 5.9353 5.9353 7.2088 7.2088 7.5537 7.5537
9.7420 9.7420 10.1152 10.1152 10.6626 10.6626 11.2449 11.2449
12.2323 12.2323 13.0743 13.0743 13.6777 13.6777 14.1086 14.1086
19.9559 19.9559 20.5361 20.5361 21.3546 21.3546 22.0579 22.0579
22.1342 22.1342 22.1379 22.1379
k = 0.4381 0.3959-0.0000 ( 6298 PWs) bands (ev):
-1.2047 -1.2047 -0.6423 -0.6423 -0.5970 -0.5970 0.0734 0.0734
5.7252 5.7252 5.9687 5.9687 7.2335 7.2335 7.5720 7.5720
9.7454 9.7454 10.0373 10.0373 10.5477 10.5477 11.0992 11.0992
12.1761 12.1761 12.9608 12.9608 13.6999 13.6999 14.0253 14.0253
20.0133 20.0133 20.7780 20.7780 21.3956 21.3956 21.9700 21.9700
22.2607 22.2607 22.3458 22.3458
k = 0.4333 0.4041-0.0000 ( 6304 PWs) bands (ev):
-1.1777 -1.1777 -0.6236 -0.6236 -0.5794 -0.5794 0.0756 0.0756
5.7611 5.7611 6.0047 6.0047 7.2595 7.2595 7.5907 7.5907
9.7397 9.7397 9.9496 9.9496 10.4432 10.4432 10.9527 10.9527
12.1274 12.1274 12.8353 12.8353 13.7215 13.7215 13.9456 13.9456
20.0694 20.0694 21.0291 21.0291 21.4388 21.4388 21.8419 21.8419
22.4385 22.4385 22.5604 22.5604
k = 0.4286 0.4124-0.0000 ( 6292 PWs) bands (ev):
-1.1489 -1.1489 -0.6038 -0.6038 -0.5609 -0.5609 0.0773 0.0773
5.7996 5.7996 6.0431 6.0431 7.2865 7.2865 7.6092 7.6092
9.7197 9.7197 9.8525 9.8525 10.3552 10.3552 10.8069 10.8069
12.0866 12.0866 12.6998 12.6998 13.7402 13.7402 13.8713 13.8713
20.1243 20.1243 21.2854 21.2854 21.4862 21.4862 21.7207 21.7207
22.6180 22.6180 22.7787 22.7787
k = 0.4238 0.4206-0.0000 ( 6288 PWs) bands (ev):
-1.1183 -1.1183 -0.5831 -0.5831 -0.5416 -0.5416 0.0782 0.0782
5.8405 5.8405 6.0841 6.0841 7.3142 7.3142 7.6272 7.6272
9.6803 9.6803 9.7465 9.7465 10.2902 10.2902 10.6631 10.6631
12.0539 12.0539 12.5559 12.5559 13.7419 13.7419 13.8155 13.8155
20.1782 20.1782 21.4945 21.4945 21.5662 21.5662 21.6309 21.6309
22.7919 22.7919 22.9972 22.9972
k = 0.4190 0.4289-0.0000 ( 6292 PWs) bands (ev):
-1.0860 -1.0860 -0.5617 -0.5617 -0.5217 -0.5217 0.0784 0.0784
5.8839 5.8839 6.1275 6.1275 7.3422 7.3422 7.6441 7.6441
9.6187 9.6187 9.6337 9.6337 10.2503 10.2503 10.5231 10.5231
12.0289 12.0289 12.4056 12.4056 13.6930 13.6930 13.8112 13.8112
20.2315 20.2315 21.4823 21.4823 21.5712 21.5712 21.8540 21.8540
22.9514 22.9514 23.2115 23.2115
k = 0.4143 0.4371-0.0000 ( 6284 PWs) bands (ev):
-1.0521 -1.0521 -0.5396 -0.5396 -0.5013 -0.5013 0.0775 0.0775
5.9298 5.9298 6.1733 6.1733 7.3701 7.3701 7.6592 7.6592
9.5112 9.5112 9.5425 9.5425 10.2312 10.2312 10.3900 10.3900
12.0110 12.0110 12.2507 12.2507 13.6225 13.6225 13.8284 13.8284
20.2842 20.2842 21.3857 21.3857 21.6198 21.6198 22.1340 22.1340
23.0863 23.0863 23.4150 23.4150
k = 0.4095 0.4454-0.0000 ( 6280 PWs) bands (ev):
-1.0166 -1.0166 -0.5170 -0.5170 -0.4804 -0.4804 0.0754 0.0754
5.9780 5.9780 6.2214 6.2214 7.3973 7.3973 7.6719 7.6719
9.3862 9.3862 9.4525 9.4525 10.2087 10.2087 10.2837 10.2837
11.9973 11.9973 12.0950 12.0950 13.5480 13.5480 13.8491 13.8491
20.3366 20.3366 21.2934 21.2934 21.6709 21.6709 22.4228 22.4228
23.1848 23.1848 23.5981 23.5981
k = 0.4048 0.4536-0.0000 ( 6280 PWs) bands (ev):
-0.9797 -0.9797 -0.4940 -0.4940 -0.4592 -0.4592 0.0719 0.0719
6.0286 6.0286 6.2718 6.2718 7.4232 7.4232 7.6814 7.6814
9.2575 9.2575 9.3574 9.3574 10.1153 10.1153 10.2676 10.2676
11.9212 11.9212 12.0060 12.0060 13.4717 13.4717 13.8703 13.8703
20.3887 20.3887 21.2085 21.2085 21.7238 21.7238 22.7179 22.7179
23.2382 23.2382 23.7479 23.7479
k = 0.4000 0.4619-0.0000 ( 6284 PWs) bands (ev):
-0.9413 -0.9413 -0.4707 -0.4707 -0.4379 -0.4379 0.0668 0.0668
6.0813 6.0813 6.3243 6.3243 7.4469 7.4469 7.6867 7.6867
9.1267 9.1267 9.2622 9.2622 10.0045 10.0045 10.2855 10.2855
11.7636 11.7636 12.0033 12.0033 13.3941 13.3941 13.8915 13.8915
20.4405 20.4405 21.1315 21.1315 21.7785 21.7785 23.0180 23.0180
23.2447 23.2447 23.8505 23.8505
k = 0.3952 0.4701-0.0000 ( 6284 PWs) bands (ev):
-0.9015 -0.9015 -0.4473 -0.4473 -0.4166 -0.4166 0.0599 0.0599
6.1362 6.1362 6.3789 6.3789 7.4675 7.4675 7.6869 7.6869
8.9949 8.9949 9.1704 9.1704 9.9011 9.9011 10.3115 10.3115
11.6029 11.6029 12.0093 12.0093 13.3151 13.3151 13.9123 13.9123
20.4919 20.4919 21.0625 21.0625 21.8351 21.8351 23.2103 23.2103
23.3225 23.3225 23.8975 23.8975
k = 0.3905 0.4784-0.0000 ( 6284 PWs) bands (ev):
-0.8606 -0.8606 -0.4240 -0.4240 -0.3955 -0.3955 0.0510 0.0510
6.1931 6.1931 6.4355 6.4355 7.4838 7.4838 7.6813 7.6813
8.8634 8.8634 9.0852 9.0852 9.8087 9.8087 10.3410 10.3410
11.4437 11.4437 12.0202 12.0202 13.2349 13.2349 13.9325 13.9325
20.5428 20.5428 21.0019 21.0019 21.8936 21.8936 23.1453 23.1453
23.6294 23.6294 23.8926 23.8926
k = 0.3857 0.4866-0.0000 ( 6288 PWs) bands (ev):
-0.8185 -0.8185 -0.4010 -0.4010 -0.3747 -0.3747 0.0399 0.0399
6.2519 6.2519 6.4938 6.4938 7.4948 7.4948 7.6690 7.6690
8.7330 8.7330 9.0088 9.0088 9.7292 9.7292 10.3712 10.3712
11.2882 11.2882 12.0351 12.0351 13.1537 13.1537 13.9519 13.9519
20.5927 20.5927 20.9495 20.9495 21.9540 21.9540 23.0597 23.0597
23.8319 23.8319 23.9539 23.9539
k = 0.3810 0.4949-0.0000 ( 6280 PWs) bands (ev):
-0.7753 -0.7753 -0.3784 -0.3784 -0.3546 -0.3546 0.0264 0.0264
6.3124 6.3124 6.5538 6.5538 7.4993 7.4993 7.6496 7.6496
8.6048 8.6048 8.9434 8.9434 9.6639 9.6639 10.3990 10.3990
11.1391 11.1391 12.0533 12.0533 13.0719 13.0719 13.9705 13.9705
20.6410 20.6410 20.9056 20.9056 22.0165 22.0165 22.9619 22.9619
23.7620 23.7620 24.2628 24.2628
k = 0.3762 0.5031-0.0000 ( 6288 PWs) bands (ev):
-0.7313 -0.7313 -0.3565 -0.3565 -0.3353 -0.3353 0.0102 0.0102
6.3742 6.3742 6.6150 6.6150 7.4965 7.4965 7.6231 7.6231
8.4799 8.4799 8.8903 8.8903 9.6136 9.6136 10.4197 10.4197
11.0014 11.0014 12.0744 12.0744 12.9899 12.9899 13.9880 13.9880
20.6867 20.6867 20.8706 20.8706 22.0811 22.0811 22.8578 22.8578
23.6692 23.6692 24.5798 24.5798
k = 0.3714 0.5114-0.0000 ( 6292 PWs) bands (ev):
-0.6866 -0.6866 -0.3355 -0.3355 -0.3169 -0.3169 -0.0086 -0.0086
6.4371 6.4371 6.6772 6.6772 7.4857 7.4857 7.5899 7.5899
8.3594 8.3594 8.8506 8.8506 9.5783 9.5783 10.4240 10.4240
10.8844 10.8844 12.0976 12.0976 12.9084 12.9084 14.0043 14.0043
20.7274 20.7274 20.8460 20.8460 22.1476 22.1476 22.7523 22.7523
23.5664 23.5664 24.8992 24.8992
k = 0.3667 0.5196-0.0000 ( 6292 PWs) bands (ev):
-0.6412 -0.6412 -0.3156 -0.3156 -0.2998 -0.2998 -0.0304 -0.0304
6.5005 6.5005 6.7399 6.7399 7.4670 7.4670 7.5513 7.5513
8.2445 8.2445 8.8242 8.8242 9.5577 9.5577 10.3971 10.3971
10.8029 10.8029 12.1225 12.1225 12.8283 12.8283 14.0193 14.0193
20.7576 20.7576 20.8362 20.8362 22.2163 22.2163 22.6493 22.6493
23.4588 23.4588 25.2202 25.2202
k = 0.3619 0.5279-0.0000 ( 6284 PWs) bands (ev):
-0.5956 -0.5956 -0.2971 -0.2971 -0.2842 -0.2842 -0.0552 -0.0552
6.5636 6.5636 6.8026 6.8026 7.4404 7.4404 7.5093 7.5093
8.1367 8.1367 8.8104 8.8104 9.5510 9.5510 10.3301 10.3301
10.7662 10.7662 12.1484 12.1484 12.7507 12.7507 14.0327 14.0327
20.7700 20.7700 20.8470 20.8470 22.2870 22.2870 22.5518 22.5518
23.3499 23.3499 25.5420 25.5420
k = 0.3571 0.5361-0.0000 ( 6282 PWs) bands (ev):
-0.5499 -0.5499 -0.2802 -0.2802 -0.2702 -0.2702 -0.0830 -0.0830
6.6251 6.6251 6.8645 6.8645 7.4058 7.4058 7.4674 7.4674
8.0378 8.0378 8.8076 8.8076 9.5567 9.5567 10.2348 10.2348
10.7628 10.7628 12.1746 12.1746 12.6772 12.6772 14.0446 14.0446
20.7722 20.7722 20.8690 20.8690 22.3599 22.3599 22.4631 22.4631
23.2419 23.2419 25.8639 25.8639
k = 0.3524 0.5444-0.0000 ( 6288 PWs) bands (ev):
-0.5046 -0.5046 -0.2651 -0.2651 -0.2583 -0.2583 -0.1137 -0.1137
6.6832 6.6832 6.9245 6.9245 7.3640 7.3640 7.4289 7.4289
7.9500 7.9500 8.8136 8.8136 9.5732 9.5732 10.1294 10.1294
10.7754 10.7754 12.2000 12.2000 12.6099 12.6099 14.0546 14.0546
20.7750 20.7750 20.8896 20.8896 22.3859 22.3859 22.4348 22.4348
23.1362 23.1362 26.1849 26.1849
k = 0.3476 0.5526-0.0000 ( 6288 PWs) bands (ev):
-0.4604 -0.4604 -0.2522 -0.2522 -0.2485 -0.2485 -0.1468 -0.1468
6.7350 6.7350 6.9817 6.9817 7.3179 7.3179 7.3959 7.3959
7.8763 7.8763 8.8252 8.8252 9.5983 9.5983 10.0264 10.0264
10.7929 10.7929 12.2230 12.2230 12.5515 12.5515 14.0626 14.0626
20.7815 20.7815 20.9032 20.9032 22.3231 22.3231 22.5117 22.5117
23.0342 23.0342 26.5038 26.5038
k = 0.3429 0.5609-0.0000 ( 6280 PWs) bands (ev):
-0.4191 -0.4191 -0.2418 -0.2418 -0.2413 -0.2413 -0.1808 -0.1808
6.7763 6.7763 7.0343 7.0343 7.2719 7.2719 7.3694 7.3694
7.8200 7.8200 8.8390 8.8390 9.6287 9.6287 9.9354 9.9354
10.8093 10.8093 12.2412 12.2412 12.5061 12.5061 14.0685 14.0685
20.7922 20.7922 20.9080 20.9080 22.2769 22.2769 22.5906 22.5906
22.9367 22.9367 26.8185 26.8185
k = 0.3381 0.5691-0.0000 ( 6280 PWs) bands (ev):
-0.3848 -0.3848 -0.2367 -0.2367 -0.2345 -0.2345 -0.2115 -0.2115
6.8027 6.8027 7.0782 7.0782 7.2324 7.2324 7.3513 7.3513
7.7846 7.7846 8.8506 8.8506 9.6570 9.6570 9.8676 9.8676
10.8209 10.8209 12.2520 12.2520 12.4777 12.4777 14.0721 14.0721
20.8046 20.8046 20.9047 20.9047 22.2491 22.2491 22.6712 22.6712
22.8447 22.8447 27.1237 27.1237
k = 0.3333 0.5774-0.0000 ( 6264 PWs) bands (ev):
-0.3694 -0.3694 -0.2352 -0.2352 -0.2330 -0.2330 -0.2246 -0.2246
6.8114 6.8114 7.0984 7.0984 7.2143 7.2143 7.3444 7.3444
7.7726 7.7726 8.8554 8.8554 9.6691 9.6691 9.8416 9.8416
10.8252 10.8252 12.2549 12.2549 12.4687 12.4687 14.0734 14.0734
20.8119 20.8119 20.9004 20.9004 22.2400 22.2400 22.7402 22.7402
22.7719 22.7719 27.3510 27.3510
k = 0.3333 0.5774-0.0000 ( 6264 PWs) bands (ev):
-0.3694 -0.3694 -0.2352 -0.2352 -0.2330 -0.2330 -0.2246 -0.2246
6.8114 6.8114 7.0984 7.0984 7.2143 7.2143 7.3444 7.3444
7.7726 7.7726 8.8554 8.8554 9.6691 9.6691 9.8416 9.8416
10.8252 10.8252 12.2549 12.2549 12.4687 12.4687 14.0734 14.0734
20.8119 20.8119 20.9004 20.9004 22.2400 22.2400 22.7402 22.7402
22.7719 22.7719 27.3510 27.3510
k = 0.3286 0.5691-0.0000 ( 6274 PWs) bands (ev):
-0.3864 -0.3864 -0.2368 -0.2368 -0.2285 -0.2285 -0.2160 -0.2160
6.8038 6.8038 7.0800 7.0800 7.2283 7.2283 7.3534 7.3534
7.7841 7.7841 8.8494 8.8494 9.6622 9.6622 9.8634 9.8634
10.8205 10.8205 12.2542 12.2542 12.4760 12.4760 14.0721 14.0721
20.8004 20.8004 20.9094 20.9094 22.2487 22.2487 22.6731 22.6731
22.8429 22.8429 27.2317 27.2317
k = 0.3238 0.5609-0.0000 ( 6278 PWs) bands (ev):
-0.4275 -0.4275 -0.2419 -0.2419 -0.2290 -0.2290 -0.1864 -0.1864
6.7845 6.7845 7.0431 7.0431 7.2480 7.2480 7.3841 7.3841
7.8164 7.8164 8.8304 8.8304 9.6583 9.6583 9.9123 9.9123
10.8062 10.8062 12.2564 12.2564 12.4938 12.4938 14.0682 14.0682
20.7684 20.7684 20.9354 20.9354 22.2737 22.2737 22.5987 22.5987
22.9296 22.9296 27.0778 27.0778
k = 0.3190 0.5526-0.0000 ( 6282 PWs) bands (ev):
-0.4804 -0.4804 -0.2505 -0.2505 -0.2340 -0.2340 -0.1489 -0.1489
6.7589 6.7589 7.0028 7.0028 7.2610 7.2610 7.4334 7.4334
7.8652 7.8652 8.7996 8.7996 9.6710 9.6710 9.9731 9.9731
10.7827 10.7827 12.2662 12.2662 12.5176 12.5176 14.0615 14.0615
20.7244 20.7244 20.9721 20.9721 22.3129 22.3129 22.5301 22.5301
23.0188 23.0188 26.9170 26.9170
k = 0.3143 0.5444-0.0000 ( 6280 PWs) bands (ev):
-0.5402 -0.5402 -0.2630 -0.2630 -0.2430 -0.2430 -0.1095 -0.1095
6.7314 6.7314 6.9640 6.9640 7.2716 7.2716 7.4919 7.4919
7.9263 7.9263 8.7610 8.7610 9.7017 9.7017 10.0395 10.0395
10.7519 10.7519 12.2859 12.2859 12.5445 12.5445 14.0521 14.0521
20.6742 20.6742 21.0157 21.0157 22.3642 22.3642 22.4681 22.4681
23.1100 23.1100 26.7527 26.7527
k = 0.3095 0.5361-0.0000 ( 6280 PWs) bands (ev):
-0.6050 -0.6050 -0.2794 -0.2794 -0.2560 -0.2560 -0.0700 -0.0700
6.7053 6.7053 6.9291 6.9291 7.2842 7.2842 7.5526 7.5526
7.9964 7.9964 8.7200 8.7200 9.7476 9.7476 10.1078 10.1078
10.7170 10.7170 12.3155 12.3155 12.5732 12.5732 14.0398 14.0398
20.6213 20.6213 21.0650 21.0650 22.4125 22.4125 22.4255 22.4255
23.2033 23.2033 26.5869 26.5869
k = 0.3048 0.5279-0.0000 ( 6276 PWs) bands (ev):
-0.6740 -0.6740 -0.2998 -0.2998 -0.2732 -0.2732 -0.0315 -0.0315
6.6827 6.6827 6.8996 6.8996 7.3008 7.3008 7.6110 7.6110
8.0729 8.0729 8.6820 8.6820 9.8048 9.8048 10.1737 10.1737
10.6837 10.6837 12.3541 12.3541 12.6032 12.6032 14.0247 14.0247
20.5682 20.5682 21.1189 21.1189 22.3639 22.3639 22.4952 22.4952
23.2985 23.2985 26.4208 26.4208
k = 0.3000 0.5196-0.0000 ( 6284 PWs) bands (ev):
-0.7468 -0.7468 -0.3244 -0.3244 -0.2945 -0.2945 0.0056 0.0056
6.6651 6.6651 6.8763 6.8763 7.3225 7.3225 7.6637 7.6637
8.1541 8.1541 8.6519 8.6519 9.8697 9.8697 10.2314 10.2314
10.6604 10.6604 12.3998 12.3998 12.6343 12.6343 14.0066 14.0066
20.5167 20.5167 21.1770 21.1770 22.3218 22.3218 22.5719 22.5719
23.3955 23.3955 26.2555 26.2555
k = 0.2952 0.5114-0.0000 ( 6284 PWs) bands (ev):
-0.8230 -0.8230 -0.3531 -0.3531 -0.3201 -0.3201 0.0407 0.0407
6.6535 6.6535 6.8600 6.8600 7.3496 7.3496 7.7080 7.7080
8.2387 8.2387 8.6334 8.6334 9.9379 9.9379 10.2732 10.2732
10.6588 10.6588 12.4503 12.4503 12.6675 12.6675 13.9858 13.9858
20.4683 20.4683 21.2390 21.2390 22.2865 22.2865 22.6546 22.6546
23.4943 23.4943 26.0916 26.0916
k = 0.2905 0.5031-0.0000 ( 6276 PWs) bands (ev):
-0.9022 -0.9022 -0.3859 -0.3859 -0.3499 -0.3499 0.0735 0.0735
6.6487 6.6487 6.8512 6.8512 7.3819 7.3819 7.7424 7.7424
8.3258 8.3258 8.6288 8.6288 10.0032 10.0032 10.2969 10.2969
10.6881 10.6881 12.5024 12.5024 12.7044 12.7044 13.9621 13.9621
20.4240 20.4240 21.3044 21.3044 22.2577 22.2577 22.7426 22.7426
23.5947 23.5947 25.9296 25.9296
k = 0.2857 0.4949-0.0000 ( 6286 PWs) bands (ev):
-0.9842 -0.9842 -0.4228 -0.4228 -0.3840 -0.3840 0.1038 0.1038
6.6510 6.6510 6.8501 6.8501 7.4189 7.4189 7.7670 7.7670
8.4137 8.4137 8.6391 8.6391 10.0547 10.0547 10.3166 10.3166
10.7461 10.7461 12.5519 12.5519 12.7479 12.7479 13.9358 13.9358
20.3847 20.3847 21.3728 21.3728 22.2354 22.2354 22.8350 22.8350
23.6966 23.6966 25.7698 25.7698
k = 0.2810 0.4866-0.0000 ( 6278 PWs) bands (ev):
-1.0687 -1.0687 -0.4638 -0.4638 -0.4223 -0.4223 0.1312 0.1312
6.6609 6.6609 6.8569 6.8569 7.4594 7.4594 7.7839 7.7839
8.4994 8.4994 8.6648 8.6648 10.0798 10.0798 10.3559 10.3559
10.8237 10.8237 12.5950 12.5950 12.8008 12.8008 13.9069 13.9069
20.3512 20.3512 21.4439 21.4439 22.2193 22.2193 22.9315 22.9315
23.7999 23.7999 25.6126 25.6126
k = 0.2762 0.4784-0.0000 ( 6286 PWs) bands (ev):
-1.1556 -1.1556 -0.5087 -0.5087 -0.4646 -0.4646 0.1557 0.1557
6.6784 6.6784 6.8717 6.8717 7.5015 7.5015 7.7976 7.7976
8.5750 8.5750 8.7093 8.7093 10.0806 10.0806 10.4221 10.4221
10.9137 10.9137 12.6293 12.6293 12.8644 12.8644 13.8755 13.8755
20.3240 20.3240 21.5174 21.5174 22.2092 22.2092 23.0315 23.0315
23.9044 23.9044 25.4581 25.4581
k = 0.2714 0.4701-0.0000 ( 6292 PWs) bands (ev):
-1.2444 -1.2444 -0.5573 -0.5573 -0.5109 -0.5109 0.1768 0.1768
6.7036 6.7036 6.8944 6.8944 7.5422 7.5422 7.8137 7.8137
8.6296 8.6296 8.7785 8.7785 10.0726 10.0726 10.5065 10.5065
11.0114 11.0114 12.6555 12.6555 12.9375 12.9375 13.8419 13.8419
20.3035 20.3035 21.5929 21.5929 22.2048 22.2048 23.1347 23.1347
24.0095 24.0095 25.3067 25.3067
k = 0.2667 0.4619-0.0000 ( 6284 PWs) bands (ev):
-1.3349 -1.3349 -0.6095 -0.6095 -0.5608 -0.5608 0.1946 0.1946
6.7366 6.7366 6.9251 6.9251 7.5774 7.5774 7.8389 7.8389
8.6623 8.6623 8.8682 8.8682 10.0687 10.0687 10.6013 10.6013
11.1146 11.1146 12.6751 12.6751 13.0180 13.0180 13.8063 13.8063
20.2903 20.2903 21.6700 21.6700 22.2057 22.2057 23.2409 23.2409
24.1150 24.1150 25.1585 25.1585
k = 0.2619 0.4536-0.0000 ( 6284 PWs) bands (ev):
-1.4270 -1.4270 -0.6651 -0.6651 -0.6144 -0.6144 0.2087 0.2087
6.7772 6.7772 6.9635 6.9635 7.6038 7.6038 7.8780 7.8780
8.6789 8.6789 8.9688 8.9688 10.0761 10.0761 10.7021 10.7021
11.2219 11.2219 12.6895 12.6895 13.1039 13.1039 13.7689 13.7689
20.2845 20.2845 21.7484 21.7484 22.2116 22.2116 23.3497 23.3497
24.2194 24.2194 25.0140 25.0140
k = 0.2571 0.4454-0.0000 ( 6280 PWs) bands (ev):
-1.5203 -1.5203 -0.7238 -0.7238 -0.6712 -0.6712 0.2191 0.2191
6.8253 6.8253 7.0095 7.0095 7.6214 7.6214 7.9322 7.9322
8.6821 8.6821 9.0755 9.0755 10.0988 10.0988 10.8069 10.8069
11.3325 11.3325 12.7000 12.7000 13.1938 13.1938 13.7301 13.7301
20.2863 20.2863 21.8276 21.8276 22.2221 22.2221 23.4609 23.4609
24.3208 24.3208 24.8737 24.8737
k = 0.2524 0.4371-0.0000 ( 6280 PWs) bands (ev):
-1.6146 -1.6146 -0.7854 -0.7854 -0.7311 -0.7311 0.2258 0.2258
6.8808 6.8808 7.0627 7.0627 7.6330 7.6330 7.9986 7.9986
8.6741 8.6741 9.1859 9.1859 10.1381 10.1381 10.9145 10.9145
11.4456 11.4456 12.7071 12.7071 13.2865 13.2865 13.6902 13.6902
20.2959 20.2959 21.9072 21.9072 22.2366 22.2366 23.5743 23.5743
24.4137 24.4137 24.7392 24.7392
k = 0.2476 0.4289-0.0000 ( 6278 PWs) bands (ev):
-1.7097 -1.7097 -0.8497 -0.8497 -0.7939 -0.7939 0.2286 0.2286
6.9433 6.9433 7.1230 7.1230 7.6415 7.6415 8.0734 8.0734
8.6583 8.6583 9.2992 9.2992 10.1936 10.1936 11.0239 11.0239
11.5610 11.5610 12.7116 12.7116 13.3811 13.3811 13.6499 13.6499
20.3134 20.3134 21.9868 21.9868 22.2546 22.2546 23.6895 23.6895
24.4788 24.4788 24.6191 24.6191
k = 0.2429 0.4206-0.0000 ( 6286 PWs) bands (ev):
-1.8055 -1.8055 -0.9165 -0.9165 -0.8592 -0.8592 0.2275 0.2275
7.0125 7.0125 7.1900 7.1900 7.6485 7.6485 8.1523 8.1523
8.6399 8.6399 9.4145 9.4145 10.2635 10.2635 11.1346 11.1346
11.6782 11.6782 12.7140 12.7140 13.4750 13.4750 13.6117 13.6117
20.3389 20.3389 22.0659 22.0659 22.2757 22.2757 23.8063 23.8063
24.4401 24.4401 24.5619 24.5619
k = 0.2381 0.4124-0.0000 ( 6298 PWs) bands (ev):
-1.9016 -1.9016 -0.9853 -0.9853 -0.9267 -0.9267 0.2226 0.2226
7.0883 7.0883 7.2632 7.2632 7.6543 7.6543 8.2293 8.2293
8.6272 8.6272 9.5314 9.5314 10.3460 10.3460 11.2458 11.2458
11.7969 11.7969 12.7150 12.7150 13.5389 13.5389 13.6049 13.6049
20.3722 20.3722 22.1439 22.1439 22.2992 22.2992 23.9240 23.9240
24.3275 24.3275 24.5132 24.5132
k = 0.2333 0.4041-0.0000 ( 6302 PWs) bands (ev):
-1.9978 -1.9978 -1.0560 -1.0560 -0.9963 -0.9963 0.2138 0.2138
7.1701 7.1701 7.3421 7.3421 7.6584 7.6584 8.2955 8.2955
8.6326 8.6326 9.6496 9.6496 10.4389 10.4389 11.3567 11.3567
11.9169 11.9169 12.7154 12.7154 13.5136 13.5136 13.6885 13.6885
20.4135 20.4135 22.2201 22.2201 22.3251 22.3251 24.0411 24.0411
24.2095 24.2095 24.4313 24.4313
k = 0.2286 0.3959-0.0000 ( 6300 PWs) bands (ev):
-2.0941 -2.0941 -1.1284 -1.1284 -1.0676 -1.0676 0.2014 0.2014
7.2575 7.2575 7.4252 7.4252 7.6598 7.6598 8.3410 8.3410
8.6700 8.6700 9.7686 9.7686 10.5404 10.5404 11.4667 11.4667
12.0376 12.0376 12.7161 12.7161 13.4747 13.4747 13.7873 13.7873
20.4625 20.4625 22.2925 22.2925 22.3539 22.3539 24.0895 24.0895
24.1571 24.1571 24.3425 24.3425
k = 0.2238 0.3876-0.0000 ( 6292 PWs) bands (ev):
-2.1902 -2.1902 -1.2021 -1.2021 -1.1404 -1.1404 0.1854 0.1854
7.3493 7.3493 7.5090 7.5090 7.6600 7.6600 8.3670 8.3670
8.7422 8.7422 9.8882 9.8882 10.6488 10.6488 11.5746 11.5746
12.1586 12.1586 12.7185 12.7185 13.4353 13.4353 13.8885 13.8885
20.5192 20.5192 22.3528 22.3528 22.3930 22.3930 23.9796 23.9796
24.1947 24.1947 24.3234 24.3234
k = 0.2190 0.3794-0.0000 ( 6286 PWs) bands (ev):
-2.2859 -2.2859 -1.2769 -1.2769 -1.2143 -1.2143 0.1659 0.1659
7.4424 7.4424 7.5754 7.5754 7.6772 7.6772 8.3868 8.3868
8.8395 8.8395 10.0078 10.0078 10.7629 10.7629 11.6791 11.6791
12.2794 12.2794 12.7242 12.7242 13.3972 13.3972 13.9905 13.9905
20.5834 20.5834 22.3897 22.3897 22.4524 22.4524 23.8725 23.8725
24.1132 24.1132 24.4261 24.4261
k = 0.2143 0.3712-0.0000 ( 6290 PWs) bands (ev):
-2.3811 -2.3811 -1.3526 -1.3526 -1.2893 -1.2893 0.1432 0.1432
7.5155 7.5155 7.6074 7.6074 7.7473 7.7473 8.4123 8.4123
8.9522 8.9522 10.1273 10.1273 10.8815 10.8815 11.7786 11.7786
12.3987 12.3987 12.7358 12.7358 13.3614 13.3614 14.0930 14.0930
20.6549 20.6549 22.4165 22.4165 22.5177 22.5177 23.7702 23.7702
24.0181 24.0181 24.5439 24.5439
k = 0.2095 0.3629-0.0000 ( 6298 PWs) bands (ev):
-2.4757 -2.4757 -1.4289 -1.4289 -1.3650 -1.3650 0.1174 0.1174
7.5124 7.5124 7.6856 7.6856 7.8455 7.8455 8.4494 8.4494
9.0751 9.0751 10.2461 10.2461 11.0037 11.0037 11.8710 11.8710
12.5146 12.5146 12.7572 12.7572 13.3292 13.3292 14.1955 14.1955
20.7336 20.7336 22.4395 22.4395 22.5816 22.5816 23.6734 23.6734
23.9237 23.9237 24.6612 24.6612
k = 0.2048 0.3547-0.0000 ( 6302 PWs) bands (ev):
-2.5694 -2.5694 -1.5056 -1.5056 -1.4411 -1.4411 0.0887 0.0887
7.4696 7.4696 7.7924 7.7924 7.9530 7.9530 8.4999 8.4999
9.2053 9.2053 10.3639 10.3639 11.1285 11.1285 11.9538 11.9538
12.6223 12.6223 12.7945 12.7945 13.3019 13.3019 14.2979 14.2979
20.8191 20.8191 22.4593 22.4593 22.6425 22.6425 23.5824 23.5824
23.8321 23.8321 24.7572 24.7572
k = 0.2000 0.3464-0.0000 ( 6306 PWs) bands (ev):
-2.6623 -2.6623 -1.5826 -1.5826 -1.5176 -1.5176 0.0573 0.0573
7.4127 7.4127 7.9074 7.9074 8.0659 8.0659 8.5636 8.5636
9.3414 9.3414 10.4802 10.4802 11.2552 11.2552 12.0249 12.0249
12.7148 12.7148 12.8558 12.8558 13.2819 13.2819 14.3999 14.3999
20.9113 20.9113 22.4756 22.4756 22.6997 22.6997 23.4977 23.4977
23.7441 23.7441 24.7276 24.7276
k = 0.1952 0.3382-0.0000 ( 6314 PWs) bands (ev):
-2.7540 -2.7540 -1.6596 -1.6596 -1.5942 -1.5942 0.0236 0.0236
7.3476 7.3476 8.0271 8.0271 8.1827 8.1827 8.6395 8.6395
9.4824 9.4824 10.5946 10.5946 11.3828 11.3828 12.0831 12.0831
12.7914 12.7914 12.9396 12.9396 13.2735 13.2735 14.5013 14.5013
21.0098 21.0098 22.4880 22.4880 22.7527 22.7527 23.4197 23.4197
23.6601 23.6601 24.6561 24.6561
k = 0.1905 0.3299-0.0000 ( 6304 PWs) bands (ev):
-2.8446 -2.8446 -1.7364 -1.7364 -1.6706 -1.6706 -0.0123 -0.0123
7.2772 7.2772 8.1504 8.1504 8.3028 8.3028 8.7263 8.7263
9.6278 9.6278 10.7065 10.7065 11.5101 11.5101 12.1293 12.1293
12.8625 12.8625 13.0283 13.0283 13.2848 13.2848 14.6020 14.6020
21.1146 21.1146 22.4962 22.4962 22.8013 22.8013 23.3489 23.3489
23.5805 23.5805 24.5874 24.5874
k = 0.1857 0.3217-0.0000 ( 6290 PWs) bands (ev):
-2.9340 -2.9340 -1.8129 -1.8129 -1.7467 -1.7467 -0.0502 -0.0502
7.2033 7.2033 8.2764 8.2764 8.4253 8.4253 8.8229 8.8229
9.7770 9.7770 10.8155 10.8155 11.6354 11.6354 12.1663 12.1663
12.9322 12.9322 13.1040 13.1040 13.3288 13.3288 14.7018 14.7018
21.2252 21.2252 22.5001 22.5001 22.8449 22.8449 23.2859 23.2859
23.5055 23.5055 24.5254 24.5254
k = 0.1810 0.3134-0.0000 ( 6290 PWs) bands (ev):
-3.0219 -3.0219 -1.8889 -1.8889 -1.8224 -1.8224 -0.0897 -0.0897
7.1271 7.1271 8.4047 8.4047 8.5498 8.5498 8.9284 8.9284
9.9298 9.9298 10.9210 10.9210 11.7557 11.7557 12.1995 12.1995
12.9948 12.9948 13.1676 13.1676 13.4086 13.4086 14.8005 14.8005
21.3414 21.3414 22.4997 22.4997 22.8830 22.8830 23.2310 23.2310
23.4354 23.4354 24.4711 24.4711
k = 0.1762 0.3052-0.0000 ( 6282 PWs) bands (ev):
-3.1084 -3.1084 -1.9642 -1.9642 -1.8975 -1.8975 -0.1307 -0.1307
7.0497 7.0497 8.5345 8.5345 8.6755 8.6755 9.0419 9.0419
10.0858 10.0858 11.0226 11.0226 11.8660 11.8660 12.2365 12.2365
13.0424 13.0424 13.2384 13.2384 13.5107 13.5107 14.8980 14.8980
21.4628 21.4628 22.4951 22.4951 22.9151 22.9151 23.1851 23.1851
23.3703 23.3703 24.4256 24.4256
k = 0.1714 0.2969-0.0000 ( 6286 PWs) bands (ev):
-3.1933 -3.1933 -2.0387 -2.0387 -1.9717 -1.9717 -0.1729 -0.1729
6.9716 6.9716 8.6651 8.6651 8.8018 8.8018 9.1627 9.1627
10.2446 10.2446 11.1200 11.1200 11.9579 11.9579 12.2881 12.2881
13.0774 13.0774 13.3248 13.3248 13.6228 13.6228 14.9942 14.9942
21.5892 21.5892 22.4870 22.4870 22.9401 22.9401 23.1487 23.1487
23.3105 23.3105 24.3895 24.3895
k = 0.1667 0.2887-0.0000 ( 6294 PWs) bands (ev):
-3.2766 -3.2766 -2.1123 -2.1123 -2.0451 -2.0451 -0.2162 -0.2162
6.8935 6.8935 8.7960 8.7960 8.9281 8.9281 9.2902 9.2902
10.4061 10.4061 11.2128 11.2128 12.0242 12.0242 12.3633 12.3633
13.1086 13.1086 13.4223 13.4223 13.7390 13.7390 15.0889 15.0889
21.7200 21.7200 22.4761 22.4761 22.9571 22.9571 23.1225 23.1225
23.2564 23.2564 24.3634 24.3634
k = 0.1619 0.2804-0.0000 ( 6298 PWs) bands (ev):
-3.3582 -3.3582 -2.1848 -2.1848 -2.1175 -2.1175 -0.2602 -0.2602
6.8159 6.8159 8.9261 8.9261 9.0534 9.0534 9.4239 9.4239
10.5698 10.5698 11.3010 11.3010 12.0675 12.0675 12.4613 12.4613
13.1429 13.1429 13.5261 13.5261 13.8568 13.8568 15.1819 15.1819
21.8552 21.8552 22.4633 22.4633 22.9656 22.9656 23.1063 23.1063
23.2085 23.2085 24.3481 24.3481
k = 0.1571 0.2722-0.0000 ( 6298 PWs) bands (ev):
-3.4380 -3.4380 -2.2561 -2.2561 -2.1887 -2.1887 -0.3047 -0.3047
6.7390 6.7390 9.0548 9.0548 9.1769 9.1769 9.5632 9.5632
10.7356 10.7356 11.3850 11.3850 12.0974 12.0974 12.5737 12.5737
13.1836 13.1836 13.6329 13.6329 13.9748 13.9748 15.2733 15.2733
21.9941 21.9941 22.4499 22.4499 22.9671 22.9671 23.0972 23.0972
23.1684 23.1684 24.3438 24.3438
k = 0.1524 0.2639-0.0000 ( 6290 PWs) bands (ev):
-3.5159 -3.5159 -2.3261 -2.3261 -2.2586 -2.2586 -0.3497 -0.3497
6.6632 6.6632 9.1809 9.1809 9.2977 9.2977 9.7077 9.7077
10.9030 10.9030 11.4653 11.4653 12.1224 12.1224 12.6930 12.6930
13.2327 13.2327 13.7410 13.7410 14.0922 14.0922 15.3630 15.3630
22.1364 22.1364 22.4369 22.4369 22.9648 22.9648 23.0878 23.0878
23.1400 23.1400 24.3507 24.3507
k = 0.1476 0.2557-0.0000 ( 6284 PWs) bands (ev):
-3.5919 -3.5919 -2.3948 -2.3948 -2.3271 -2.3271 -0.3948 -0.3948
6.5886 6.5886 9.3034 9.3034 9.4146 9.4146 9.8569 9.8569
11.0717 11.0717 11.5430 11.5430 12.1480 12.1480 12.8148 12.8148
13.2910 13.2910 13.8493 13.8493 14.2086 14.2086 15.4507 15.4507
22.2813 22.2813 22.4256 22.4256 22.9622 22.9622 23.0707 23.0707
23.1280 23.1280 24.3689 24.3689
k = 0.1429 0.2474-0.0000 ( 6288 PWs) bands (ev):
-3.6660 -3.6660 -2.4620 -2.4620 -2.3942 -2.3942 -0.4399 -0.4399
6.5154 6.5154 9.4210 9.4210 9.5267 9.5267 10.0106 10.0106
11.2413 11.2413 11.6194 11.6194 12.1774 12.1774 12.9362 12.9362
13.3588 13.3588 13.9568 13.9568 14.3237 14.3237 15.5365 15.5365
22.4159 22.4159 22.4293 22.4293 22.9612 22.9612 23.0498 23.0498
23.1268 23.1268 24.3981 24.3981
k = 0.1381 0.2392-0.0000 ( 6280 PWs) bands (ev):
-3.7380 -3.7380 -2.5276 -2.5276 -2.4598 -2.4598 -0.4848 -0.4848
6.4439 6.4439 9.5327 9.5327 9.6328 9.6328 10.1682 10.1682
11.4114 11.4114 11.6960 11.6960 12.2132 12.2132 13.0557 13.0557
13.4362 13.4362 14.0630 14.0630 14.4372 14.4372 15.6203 15.6203
22.4115 22.4115 22.5764 22.5764 22.9629 22.9629 23.0318 23.0318
23.1300 23.1300 24.4381 24.4381
k = 0.1333 0.2309-0.0000 ( 6278 PWs) bands (ev):
-3.8080 -3.8080 -2.5916 -2.5916 -2.5237 -2.5237 -0.5294 -0.5294
6.3741 6.3741 9.6371 9.6371 9.7319 9.7319 10.3294 10.3294
11.5810 11.5810 11.7750 11.7750 12.2574 12.2574 13.1721 13.1721
13.5225 13.5225 14.1672 14.1672 14.5489 14.5489 15.7021 15.7021
22.4105 22.4105 22.7232 22.7232 22.9681 22.9681 23.0198 23.0198
23.1354 23.1354 24.4883 24.4883
k = 0.1286 0.2227-0.0000 ( 6282 PWs) bands (ev):
-3.8758 -3.8758 -2.6538 -2.6538 -2.5859 -2.5859 -0.5735 -0.5735
6.3062 6.3062 9.7332 9.7332 9.8229 9.8229 10.4938 10.4938
11.7489 11.7489 11.8587 11.8587 12.3113 12.3113 13.2848 13.2848
13.6168 13.6168 14.2690 14.2690 14.6588 14.6588 15.7817 15.7817
22.4146 22.4146 22.8624 22.8624 22.9772 22.9772 23.0189 23.0189
23.1436 23.1436 24.5483 24.5483
k = 0.1238 0.2144-0.0000 ( 6278 PWs) bands (ev):
-3.9415 -3.9415 -2.7143 -2.7143 -2.6463 -2.6463 -0.6170 -0.6170
6.2402 6.2402 9.8201 9.8201 9.9051 9.9051 10.6611 10.6611
11.9075 11.9075 11.9556 11.9556 12.3762 12.3762 13.3937 13.3937
13.7178 13.7178 14.3681 14.3681 14.7667 14.7667 15.8591 15.8591
22.4242 22.4242 22.9563 22.9563 22.9905 22.9905 23.0628 23.0628
23.1579 23.1579 24.6173 24.6173
k = 0.1190 0.2062-0.0000 ( 6282 PWs) bands (ev):
-4.0050 -4.0050 -2.7729 -2.7729 -2.7049 -2.7049 -0.6598 -0.6598
6.1762 6.1762 9.8971 9.8971 9.9780 9.9780 10.8307 10.8307
12.0260 12.0260 12.0965 12.0965 12.4532 12.4532 13.4990 13.4990
13.8239 13.8239 14.4642 14.4642 14.8727 14.8727 15.9344 15.9344
22.4398 22.4398 22.9795 22.9795 23.0061 23.0061 23.1418 23.1418
23.2143 23.2143 24.6940 24.6940
k = 0.1143 0.1979-0.0000 ( 6274 PWs) bands (ev):
-4.0662 -4.0662 -2.8296 -2.8296 -2.7616 -2.7616 -0.7017 -0.7017
6.1143 6.1143 9.9641 9.9641 10.0414 10.0414 11.0024 11.0024
12.1300 12.1300 12.2555 12.2555 12.5431 12.5431 13.6013 13.6013
13.9335 13.9335 14.5570 14.5570 14.9768 14.9768 16.0073 16.0073
22.4618 22.4618 22.9893 22.9893 23.0259 23.0259 23.1682 23.1682
23.3395 23.3395 24.7625 24.7625
k = 0.1095 0.1897-0.0000 ( 6268 PWs) bands (ev):
-4.1252 -4.1252 -2.8843 -2.8843 -2.8163 -2.8163 -0.7425 -0.7425
6.0547 6.0547 10.0210 10.0210 10.0953 10.0953 11.1755 11.1755
12.2389 12.2389 12.4119 12.4119 12.6467 12.6467 13.7009 13.7009
14.0450 14.0450 14.6465 14.6465 15.0791 15.0791 16.0778 16.0778
22.4906 22.4906 22.9993 22.9993 23.0497 23.0497 23.1891 23.1891
23.4704 23.4704 24.7376 24.7376
k = 0.1048 0.1815-0.0000 ( 6262 PWs) bands (ev):
-4.1818 -4.1818 -2.9370 -2.9370 -2.8690 -2.8690 -0.7823 -0.7823
5.9972 5.9972 10.0684 10.0684 10.1402 10.1402 11.3497 11.3497
12.3544 12.3544 12.5625 12.5625 12.7640 12.7640 13.7980 13.7980
14.1572 14.1572 14.7323 14.7323 15.1796 15.1796 16.1460 16.1460
22.5263 22.5263 23.0111 23.0111 23.0771 23.0771 23.2127 23.2127
23.5943 23.5943 24.6967 24.6967
k = 0.1000 0.1732-0.0000 ( 6266 PWs) bands (ev):
-4.2362 -4.2362 -2.9876 -2.9876 -2.9196 -2.9196 -0.8209 -0.8209
5.9420 5.9420 10.1070 10.1070 10.1767 10.1767 11.5244 11.5244
12.4765 12.4765 12.7065 12.7065 12.8936 12.8936 13.8929 13.8929
14.2690 14.2690 14.8146 14.8146 15.2785 15.2785 16.2115 16.2115
22.5692 22.5692 23.0244 23.0244 23.1075 23.1075 23.2407 23.2407
23.7066 23.7066 24.6586 24.6586
k = 0.0952 0.1650-0.0000 ( 6268 PWs) bands (ev):
-4.2881 -4.2881 -3.0362 -3.0362 -2.9682 -2.9682 -0.8583 -0.8583
5.8892 5.8892 10.1376 10.1376 10.2055 10.2055 11.6989 11.6989
12.6045 12.6045 12.8456 12.8456 13.0320 13.0320 13.9855 13.9855
14.3796 14.3796 14.8934 14.8934 15.3759 15.3759 16.2745 16.2745
22.6194 22.6194 23.0381 23.0381 23.1402 23.1402 23.2737 23.2737
23.8038 23.8038 24.6249 24.6249
k = 0.0905 0.1567-0.0000 ( 6250 PWs) bands (ev):
-4.3377 -4.3377 -3.0826 -3.0826 -3.0146 -3.0146 -0.8942 -0.8942
5.8387 5.8387 10.1613 10.1613 10.2277 10.2277 11.8727 11.8727
12.7375 12.7375 12.9820 12.9820 13.1747 13.1747 14.0759 14.0759
14.4884 14.4884 14.9686 14.9686 15.4720 15.4720 16.3348 16.3348
22.6770 22.6770 23.0508 23.0508 23.1743 23.1743 23.3127 23.3127
23.8835 23.8835 24.5971 24.5971
k = 0.0857 0.1485-0.0000 ( 6254 PWs) bands (ev):
-4.3848 -4.3848 -3.1268 -3.1268 -3.0588 -3.0588 -0.9287 -0.9287
5.7907 5.7907 10.1789 10.1789 10.2441 10.2441 12.0451 12.0451
12.8743 12.8743 13.1172 13.1172 13.3180 13.3180 14.1639 14.1639
14.5951 14.5951 15.0406 15.0406 15.5671 15.5671 16.3922 16.3922
22.7419 22.7419 23.0603 23.0603 23.2083 23.2083 23.3585 23.3585
23.9440 23.9440 24.5761 24.5761
k = 0.0810 0.1402-0.0000 ( 6258 PWs) bands (ev):
-4.4295 -4.4295 -3.1688 -3.1688 -3.1008 -3.1008 -0.9618 -0.9618
5.7450 5.7450 10.1915 10.1915 10.2555 10.2555 12.2152 12.2152
13.0137 13.0137 13.2518 13.2518 13.4592 13.4592 14.2496 14.2496
14.6992 14.6992 15.1093 15.1093 15.6611 15.6611 16.4468 16.4468
22.8138 22.8138 23.0645 23.0645 23.2408 23.2408 23.4116 23.4116
23.9854 23.9854 24.5633 24.5633
k = 0.0762 0.1320-0.0000 ( 6258 PWs) bands (ev):
-4.4718 -4.4718 -3.2085 -3.2085 -3.1405 -3.1405 -0.9932 -0.9932
5.7019 5.7019 10.1999 10.1999 10.2630 10.2630 12.3822 12.3822
13.1545 13.1545 13.3853 13.3853 13.5963 13.5963 14.3327 14.3327
14.8006 14.8006 15.1752 15.1752 15.7544 15.7544 16.4983 16.4983
22.8921 22.8921 23.0617 23.0617 23.2709 23.2709 23.4726 23.4726
24.0086 24.0086 24.5603 24.5603
k = 0.0714 0.1237-0.0000 ( 6258 PWs) bands (ev):
-4.5116 -4.5116 -3.2460 -3.2460 -3.1780 -3.1780 -1.0230 -1.0230
5.6612 5.6612 10.2049 10.2049 10.2671 10.2671 12.5451 12.5451
13.2954 13.2954 13.5170 13.5170 13.7279 13.7279 14.4132 14.4132
14.8992 14.8992 15.2385 15.2385 15.8469 15.8469 16.5467 16.5467
22.9737 22.9737 23.0516 23.0516 23.2979 23.2979 23.5415 23.5415
24.0154 24.0154 24.5680 24.5680
k = 0.0667 0.1155-0.0000 ( 6250 PWs) bands (ev):
-4.5489 -4.5489 -3.2811 -3.2811 -3.2131 -3.2131 -1.0511 -1.0511
5.6231 5.6231 10.2071 10.2071 10.2686 10.2686 12.7030 12.7030
13.4354 13.4354 13.6457 13.6457 13.8531 13.8531 14.4909 14.4909
14.9949 14.9949 15.2994 15.2994 15.9386 15.9386 16.5918 16.5918
23.0127 23.0127 23.0765 23.0765 23.3226 23.3226 23.6183 23.6183
24.0078 24.0078 24.5875 24.5875
k = 0.0619 0.1072-0.0000 ( 6254 PWs) bands (ev):
-4.5837 -4.5837 -3.3139 -3.3139 -3.2460 -3.2460 -1.0775 -1.0775
5.5875 5.5875 10.2072 10.2072 10.2681 10.2681 12.8546 12.8546
13.5731 13.5731 13.7702 13.7702 13.9709 13.9709 14.5656 14.5656
15.0877 15.0877 15.3583 15.3583 16.0293 16.0293 16.6337 16.6337
22.9806 22.9806 23.1574 23.1574 23.3497 23.3497 23.7026 23.7026
23.9876 23.9876 24.6189 24.6189
k = 0.0571 0.0990-0.0000 ( 6254 PWs) bands (ev):
-4.6159 -4.6159 -3.3444 -3.3444 -3.2764 -3.2764 -1.1021 -1.1021
5.5545 5.5545 10.2057 10.2057 10.2660 10.2660 12.9989 12.9989
13.7076 13.7076 13.8894 13.8894 14.0806 14.0806 14.6371 14.6371
15.1776 15.1776 15.4153 15.4153 16.1187 16.1187 16.6721 16.6721
22.9317 22.9317 23.2227 23.2227 23.3953 23.3953 23.7938 23.7938
23.9568 23.9568 24.6618 24.6618
k = 0.0524 0.0907-0.0000 ( 6251 PWs) bands (ev):
-4.6457 -4.6457 -3.3725 -3.3725 -3.3046 -3.3046 -1.1248 -1.1248
5.5241 5.5241 10.2030 10.2030 10.2629 10.2629 13.1347 13.1347
13.8377 13.8377 14.0021 14.0021 14.1819 14.1819 14.7050 14.7050
15.2644 15.2644 15.4708 15.4708 16.2063 16.2063 16.7072 16.7072
22.8708 22.8708 23.2498 23.2498 23.4772 23.4772 23.8866 23.8866
23.9218 23.9218 24.7150 24.7150
k = 0.0476 0.0825-0.0000 ( 6247 PWs) bands (ev):
-4.6728 -4.6728 -3.3982 -3.3982 -3.3303 -3.3303 -1.1457 -1.1457
5.4962 5.4962 10.1995 10.1995 10.2590 10.2590 13.2608 13.2608
13.9624 13.9624 14.1071 14.1071 14.2743 14.2743 14.7690 14.7690
15.3481 15.3481 15.5247 15.5247 16.2914 16.2914 16.7389 16.7389
22.8003 22.8003 23.2469 23.2469 23.5862 23.5862 23.8642 23.8642
24.0006 24.0006 24.7765 24.7765
k = 0.0429 0.0742-0.0000 ( 6249 PWs) bands (ev):
-4.6975 -4.6975 -3.4216 -3.4216 -3.3536 -3.3536 -1.1647 -1.1647
5.4710 5.4710 10.1956 10.1956 10.2547 10.2547 13.3762 13.3762
14.0805 14.0805 14.2035 14.2035 14.3576 14.3576 14.8286 14.8286
15.4282 15.4282 15.5771 15.5771 16.3732 16.3732 16.7672 16.7672
22.7229 22.7229 23.2272 23.2272 23.7091 23.7091 23.8100 23.8100
24.1110 24.1110 24.8436 24.8436
k = 0.0381 0.0660-0.0000 ( 6243 PWs) bands (ev):
-4.7195 -4.7195 -3.4425 -3.4425 -3.3745 -3.3745 -1.1818 -1.1818
5.4484 5.4484 10.1914 10.1914 10.2502 10.2502 13.4802 13.4802
14.1911 14.1911 14.2905 14.2905 14.4317 14.4317 14.8835 14.8835
15.5042 15.5042 15.6277 15.6277 16.4506 16.4506 16.7921 16.7921
22.6417 22.6417 23.1969 23.1969 23.7504 23.7504 23.8409 23.8409
24.2270 24.2270 24.9112 24.9112
k = 0.0333 0.0577-0.0000 ( 6229 PWs) bands (ev):
-4.7390 -4.7390 -3.4609 -3.4609 -3.3930 -3.3930 -1.1969 -1.1969
5.4284 5.4284 10.1872 10.1872 10.2458 10.2458 13.5720 13.5720
14.2929 14.2929 14.3676 14.3676 14.4967 14.4967 14.9330 14.9330
15.5752 15.5752 15.6760 15.6760 16.5224 16.5224 16.8139 16.8139
22.5601 22.5601 23.1600 23.1600 23.6894 23.6894 23.9772 23.9772
24.3472 24.3472 24.9390 24.9390
k = 0.0286 0.0495-0.0000 ( 6239 PWs) bands (ev):
-4.7559 -4.7559 -3.4770 -3.4770 -3.4090 -3.4090 -1.2101 -1.2101
5.4111 5.4111 10.1833 10.1833 10.2417 10.2417 13.6514 13.6514
14.3847 14.3847 14.4343 14.4343 14.5527 14.5527 14.9767 14.9767
15.6402 15.6402 15.7214 15.7214 16.5874 16.5874 16.8327 16.8327
22.4814 22.4814 23.1198 23.1198 23.6290 23.6290 24.1163 24.1163
24.4695 24.4695 24.8894 24.8894
k = 0.0238 0.0412-0.0000 ( 6245 PWs) bands (ev):
-4.7702 -4.7702 -3.4905 -3.4905 -3.4226 -3.4226 -1.2212 -1.2212
5.3964 5.3964 10.1797 10.1797 10.2379 10.2379 13.7181 13.7181
14.4654 14.4654 14.4904 14.4904 14.5998 14.5998 15.0143 15.0143
15.6981 15.6981 15.7628 15.7628 16.6442 16.6442 16.8487 16.8487
22.4088 22.4088 23.0796 23.0796 23.5720 23.5720 24.2549 24.2549
24.5915 24.5915 24.8429 24.8429
k = 0.0190 0.0330-0.0000 ( 6243 PWs) bands (ev):
-4.7819 -4.7819 -3.5017 -3.5017 -3.4337 -3.4337 -1.2304 -1.2304
5.3844 5.3844 10.1766 10.1766 10.2347 10.2347 13.7724 13.7724
14.5335 14.5335 14.5359 14.5359 14.6383 14.6383 15.0454 15.0454
15.7477 15.7477 15.7990 15.7990 16.6916 16.6916 16.8624 16.8624
22.3451 22.3451 23.0421 23.0421 23.5212 23.5212 24.3884 24.3884
24.7089 24.7089 24.8068 24.8068
k = 0.0143 0.0247-0.0000 ( 6255 PWs) bands (ev):
-4.7910 -4.7910 -3.5103 -3.5103 -3.4424 -3.4424 -1.2375 -1.2375
5.3750 5.3750 10.1741 10.1741 10.2321 10.2321 13.8142 13.8142
14.5710 14.5710 14.5879 14.5879 14.6681 14.6681 15.0698 15.0698
15.7877 15.7877 15.8289 15.8289 16.7286 16.7286 16.8737 16.8737
22.2929 22.2929 23.0101 23.0101 23.4789 23.4789 24.5090 24.5090
24.7829 24.7829 24.8146 24.8146
k = 0.0095 0.0165-0.0000 ( 6257 PWs) bands (ev):
-4.7975 -4.7975 -3.5165 -3.5165 -3.4486 -3.4486 -1.2426 -1.2426
5.3683 5.3683 10.1723 10.1723 10.2302 10.2302 13.8438 13.8438
14.5957 14.5957 14.6276 14.6276 14.6894 14.6894 15.0873 15.0873
15.8171 15.8171 15.8512 15.8512 16.7547 16.7547 16.8826 16.8826
22.2540 22.2540 22.9856 22.9856 23.4472 23.4472 24.6028 24.6028
24.7751 24.7751 24.8964 24.8964
k = 0.0048 0.0082-0.0000 ( 6271 PWs) bands (ev):
-4.8015 -4.8015 -3.5202 -3.5202 -3.4523 -3.4523 -1.2457 -1.2457
5.3643 5.3643 10.1711 10.1711 10.2291 10.2291 13.8615 13.8615
14.6105 14.6105 14.6518 14.6518 14.7022 14.7022 15.0979 15.0979
15.8352 15.8352 15.8651 15.8651 16.7700 16.7700 16.8884 16.8884
22.2301 22.2301 22.9703 22.9703 23.4275 23.4275 24.6533 24.6533
24.7862 24.7862 24.9401 24.9401
k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev):
-4.8028 -4.8028 -3.5214 -3.5214 -3.4535 -3.4535 -1.2467 -1.2467
5.3630 5.3630 10.1708 10.1708 10.2287 10.2287 13.8674 13.8674
14.6154 14.6154 14.6599 14.6599 14.7065 14.7065 15.1014 15.1014
15.8412 15.8412 15.8698 15.8698 16.7751 16.7751 16.8905 16.8905
22.2220 22.2220 22.9649 22.9649 23.4208 23.4208 24.6659 24.6659
24.7963 24.7963 24.9508 24.9508
k = 0.0000 0.0000 0.0000 ( 6287 PWs) bands (ev):
-4.8028 -4.8028 -3.5214 -3.5214 -3.4535 -3.4535 -1.2467 -1.2467
5.3630 5.3630 10.1708 10.1708 10.2287 10.2287 13.8674 13.8674
14.6154 14.6154 14.6599 14.6599 14.7065 14.7065 15.1014 15.1014
15.8412 15.8412 15.8698 15.8698 16.7751 16.7751 16.8905 16.8905
22.2220 22.2220 22.9649 22.9649 23.4208 23.4208 24.6659 24.6659
24.7963 24.7963 24.9508 24.9508
k = 0.0000 0.0000 0.0091 ( 6287 PWs) bands (ev):
-4.8016 -4.8016 -3.5675 -3.5675 -3.4059 -3.4059 -1.2505 -1.2505
5.3691 5.3691 9.9833 9.9833 10.4170 10.4170 13.8682 13.8682
14.5906 14.5906 14.6857 14.6857 14.7036 14.7036 15.1021 15.1021
15.8152 15.8152 15.8962 15.8962 16.7740 16.7740 16.8832 16.8832
22.2230 22.2230 22.9600 22.9600 23.4266 23.4266 24.6673 24.6673
24.7977 24.7977 24.9522 24.9522
k = 0.0000 0.0000 0.0181 ( 6275 PWs) bands (ev):
-4.7980 -4.7980 -3.6348 -3.6348 -3.3340 -3.3340 -1.2617 -1.2617
5.3875 5.3875 9.7711 9.7711 10.6320 10.6320 13.8703 13.8703
14.5527 14.5527 14.6950 14.6950 14.7267 14.7267 15.1044 15.1044
15.7791 15.7791 15.9333 15.9333 16.7706 16.7706 16.8615 16.8615
22.2258 22.2258 22.9461 22.9461 23.4431 23.4431 24.6716 24.6716
24.8017 24.8017 24.9565 24.9565
k = 0.0000 0.0000 0.0272 ( 6269 PWs) bands (ev):
-4.7921 -4.7921 -3.7026 -3.7026 -3.2582 -3.2582 -1.2802 -1.2802
5.4179 5.4179 9.5596 9.5596 10.8479 10.8479 13.8739 13.8739
14.5141 14.5141 14.6805 14.6805 14.7705 14.7705 15.1081 15.1081
15.7426 15.7426 15.9714 15.9714 16.7651 16.7651 16.8259 16.8259
22.2305 22.2305 22.9248 22.9248 23.4688 23.4688 24.6787 24.6787
24.8085 24.8085 24.9635 24.9635
k = 0.0000 0.0000 0.0362 ( 6275 PWs) bands (ev):
-4.7838 -4.7838 -3.7694 -3.7694 -3.1806 -3.1806 -1.3059 -1.3059
5.4601 5.4601 9.3498 9.3498 11.0638 11.0638 13.8790 13.8790
14.4761 14.4761 14.6598 14.6598 14.8159 14.8159 15.1133 15.1133
15.7065 15.7065 16.0098 16.0098 16.7573 16.7573 16.7771 16.7771
22.2370 22.2370 22.8980 22.8980 23.5016 23.5016 24.6885 24.6885
24.8179 24.8179 24.9730 24.9730
k = 0.0000 0.0000 0.0453 ( 6275 PWs) bands (ev):
-4.7731 -4.7731 -3.8345 -3.8345 -3.1014 -3.1014 -1.3383 -1.3383
5.5139 5.5139 9.1420 9.1420 11.2793 11.2793 13.8854 13.8854
14.4388 14.4388 14.6328 14.6328 14.8627 14.8627 15.1199 15.1199
15.6709 15.6709 16.0483 16.0483 16.7161 16.7161 16.7474 16.7474
22.2453 22.2453 22.8675 22.8675 23.5397 23.5397 24.7011 24.7011
24.8299 24.8299 24.9847 24.9847
k = 0.0000 0.0000 0.0543 ( 6245 PWs) bands (ev):
-4.7601 -4.7601 -3.8980 -3.8980 -3.0210 -3.0210 -1.3773 -1.3773
5.5789 5.5789 8.9364 8.9364 11.4938 11.4938 13.8933 13.8933
14.4025 14.4025 14.5990 14.5990 14.9110 14.9110 15.1281 15.1281
15.6360 15.6360 16.0869 16.0869 16.6442 16.6442 16.7354 16.7354
22.2555 22.2555 22.8349 22.8349 23.5821 23.5821 24.7163 24.7163
24.8444 24.8444 24.9474 24.9474
k = 0.0000 0.0000 0.0634 ( 6251 PWs) bands (ev):
-4.7447 -4.7447 -3.9596 -3.9596 -2.9395 -2.9395 -1.4222 -1.4222
5.6546 5.6546 8.7333 8.7333 11.7069 11.7069 13.9026 13.9026
14.3671 14.3671 14.5578 14.5578 14.9609 14.9609 15.1376 15.1376
15.6017 15.6017 16.1253 16.1253 16.5628 16.5628 16.7214 16.7214
22.2673 22.2673 22.8007 22.8007 23.6276 23.6276 24.7340 24.7340
24.8614 24.8614 24.8761 24.8761
k = 0.0000 0.0000 0.0725 ( 6251 PWs) bands (ev):
-4.7270 -4.7270 -4.0192 -4.0192 -2.8572 -2.8572 -1.4728 -1.4728
5.7407 5.7407 8.5330 8.5330 11.9179 11.9179 13.9133 13.9133
14.3328 14.3328 14.5088 14.5088 15.0124 15.0124 15.1487 15.1487
15.5682 15.5682 16.1635 16.1635 16.4735 16.4735 16.7053 16.7053
22.2809 22.2809 22.7659 22.7659 23.6757 23.6757 24.7542 24.7542
24.8028 24.8028 24.8807 24.8807
k = 0.0000 0.0000 0.0815 ( 6245 PWs) bands (ev):
-4.7070 -4.7070 -4.0769 -4.0769 -2.7740 -2.7740 -1.5286 -1.5286
5.8366 5.8366 8.3357 8.3357 12.1264 12.1264 13.9254 13.9254
14.2995 14.2995 14.4512 14.4512 15.0659 15.0659 15.1611 15.1611
15.5355 15.5355 16.2014 16.2014 16.3781 16.3781 16.6872 16.6872
22.2961 22.2961 22.7309 22.7309 23.7259 23.7259 24.7293 24.7293
24.7766 24.7766 24.9022 24.9022
k = 0.0000 0.0000 0.0906 ( 6251 PWs) bands (ev):
-4.6846 -4.6846 -4.1326 -4.1326 -2.6903 -2.6903 -1.5890 -1.5890
5.9418 5.9418 8.1417 8.1417 12.3315 12.3315 13.9388 13.9388
14.2672 14.2672 14.3844 14.3844 15.1215 15.1215 15.1749 15.1749
15.5038 15.5038 16.2389 16.2389 16.2785 16.2785 16.6673 16.6673
22.3130 22.3130 22.6960 22.6960 23.7779 23.7779 24.6563 24.6563
24.8012 24.8012 24.9257 24.9257
k = 0.0000 0.0000 0.0996 ( 6245 PWs) bands (ev):
-4.6598 -4.6598 -4.1862 -4.1862 -2.6062 -2.6062 -1.6537 -1.6537
6.0559 6.0559 7.9513 7.9513 12.5326 12.5326 13.9534 13.9534
14.2361 14.2361 14.3076 14.3076 15.1796 15.1796 15.1902 15.1902
15.4729 15.4729 16.1766 16.1766 16.2759 16.2759 16.6456 16.6456
22.3315 22.3315 22.6616 22.6616 23.8315 23.8315 24.5844 24.5844
24.8275 24.8275 24.9509 24.9509
k = 0.0000 0.0000 0.1087 ( 6256 PWs) bands (ev):
-4.6328 -4.6328 -4.2378 -4.2378 -2.5218 -2.5218 -1.7221 -1.7221
6.1783 6.1783 7.7647 7.7647 12.7288 12.7288 13.9691 13.9691
14.2060 14.2060 14.2203 14.2203 15.2068 15.2068 15.2406 15.2406
15.4430 15.4430 16.0740 16.0740 16.3123 16.3123 16.6221 16.6221
22.3516 22.3516 22.6279 22.6279 23.8866 23.8866 24.5138 24.5138
24.8554 24.8554 24.9776 24.9776
k = 0.0000 0.0000 0.1178 ( 6256 PWs) bands (ev):
-4.6034 -4.6034 -4.2872 -4.2872 -2.4375 -2.4375 -1.7937 -1.7937
6.3086 6.3086 7.5822 7.5822 12.9191 12.9191 13.9848 13.9848
14.1230 14.1230 14.1772 14.1772 15.2248 15.2248 15.3047 15.3047
15.4141 15.4141 15.9726 15.9726 16.3480 16.3480 16.5970 16.5970
22.3731 22.3731 22.5950 22.5950 23.9431 23.9431 24.4446 24.4446
24.8844 24.8844 25.0054 25.0054
k = 0.0000 0.0000 0.1268 ( 6256 PWs) bands (ev):
-4.5718 -4.5718 -4.3345 -4.3345 -2.3533 -2.3533 -1.8682 -1.8682
6.4462 6.4462 7.4041 7.4041 13.1027 13.1027 13.9841 13.9841
14.0315 14.0315 14.1495 14.1495 15.2441 15.2441 15.3724 15.3724
15.3863 15.3863 15.8738 15.8738 16.3829 16.3829 16.5703 16.5703
22.3962 22.3962 22.5630 22.5630 24.0009 24.0009 24.3769 24.3769
24.9140 24.9140 25.0338 25.0338
k = 0.0000 0.0000 0.1359 ( 6244 PWs) bands (ev):
-4.5378 -4.5378 -4.3796 -4.3796 -2.2696 -2.2696 -1.9451 -1.9451
6.5909 6.5909 7.2307 7.2307 13.2784 13.2784 13.8807 13.8807
14.0321 14.0321 14.1230 14.1230 15.2647 15.2647 15.3597 15.3597
15.4443 15.4443 15.7785 15.7785 16.4169 16.4169 16.5422 16.5422
22.4208 22.4208 22.5321 22.5321 24.0602 24.0602 24.3107 24.3107
24.9436 24.9436 25.0434 25.0434
k = 0.0000 0.0000 0.1449 ( 6244 PWs) bands (ev):
-4.5016 -4.5016 -4.4225 -4.4225 -2.1866 -2.1866 -2.0241 -2.0241
6.7420 6.7420 7.0623 7.0623 13.4451 13.4451 13.7476 13.7476
14.0518 14.0518 14.0978 14.0978 15.2866 15.2866 15.3341 15.3341
15.5206 15.5206 15.6877 15.6877 16.4500 16.4500 16.5127 16.5127
22.4467 22.4467 22.5024 22.5024 24.1207 24.1207 24.2460 24.2460
24.9724 24.9724 25.0235 25.0235
k = 0.0000 0.0000 0.1540 ( 6244 PWs) bands (ev):
-4.4632 -4.4632 -4.4632 -4.4632 -2.1047 -2.1047 -2.1047 -2.1047
6.8993 6.8993 6.8993 6.8993 13.6019 13.6019 13.6019 13.6019
14.0740 14.0740 14.0740 14.0740 15.3098 15.3098 15.3098 15.3098
15.6017 15.6017 15.6017 15.6017 16.4819 16.4819 16.4819 16.4819
22.4738 22.4738 22.4738 22.4738 24.1826 24.1826 24.1826 24.1826
24.9995 24.9995 24.9995 24.9995
k = 0.0000 0.0000 0.1540 ( 6244 PWs) bands (ev):
-4.4632 -4.4632 -4.4632 -4.4632 -2.1047 -2.1047 -2.1047 -2.1047
6.8993 6.8993 6.8993 6.8993 13.6019 13.6019 13.6019 13.6019
14.0740 14.0740 14.0740 14.0740 15.3098 15.3098 15.3098 15.3098
15.6017 15.6017 15.6017 15.6017 16.4819 16.4819 16.4819 16.4819
22.4738 22.4738 22.4738 22.4738 24.1826 24.1826 24.1826 24.1826
24.9995 24.9995 24.9995 24.9995
k = 0.0082 0.0047 0.1540 ( 6256 PWs) bands (ev):
-4.4619 -4.4619 -4.4619 -4.4619 -2.1036 -2.1036 -2.1036 -2.1036
6.9004 6.9004 6.9004 6.9004 13.6000 13.6000 13.6000 13.6000
14.0684 14.0684 14.0684 14.0684 15.3000 15.3000 15.3000 15.3000
15.6019 15.6019 15.6019 15.6019 16.4774 16.4774 16.4774 16.4774
22.4813 22.4813 22.4813 22.4813 24.1786 24.1786 24.1786 24.1786
24.9944 24.9944 24.9944 24.9944
k = 0.0164 0.0095 0.1540 ( 6266 PWs) bands (ev):
-4.4581 -4.4581 -4.4581 -4.4581 -2.1002 -2.1002 -2.1002 -2.1002
6.9036 6.9036 6.9036 6.9036 13.5944 13.5944 13.5944 13.5944
14.0514 14.0514 14.0514 14.0514 15.2720 15.2720 15.2720 15.2720
15.6014 15.6014 15.6014 15.6014 16.4641 16.4641 16.4641 16.4641
22.5033 22.5033 22.5033 22.5033 24.1659 24.1659 24.1659 24.1659
24.9759 24.9759 24.9759 24.9759
k = 0.0246 0.0142 0.1540 ( 6264 PWs) bands (ev):
-4.4517 -4.4517 -4.4517 -4.4517 -2.0947 -2.0947 -2.0947 -2.0947
6.9089 6.9089 6.9089 6.9089 13.5848 13.5848 13.5848 13.5848
14.0231 14.0231 14.0231 14.0231 15.2284 15.2284 15.2284 15.2284
15.5981 15.5981 15.5981 15.5981 16.4423 16.4423 16.4423 16.4423
22.5391 22.5391 22.5391 22.5391 24.1424 24.1424 24.1424 24.1424
24.9398 24.9398 24.9398 24.9398
k = 0.0328 0.0189 0.1540 ( 6250 PWs) bands (ev):
-4.4428 -4.4428 -4.4428 -4.4428 -2.0869 -2.0869 -2.0869 -2.0869
6.9164 6.9164 6.9164 6.9164 13.5710 13.5710 13.5710 13.5710
13.9832 13.9832 13.9832 13.9832 15.1725 15.1725 15.1725 15.1725
15.5898 15.5898 15.5898 15.5898 16.4130 16.4130 16.4130 16.4130
22.5868 22.5868 22.5868 22.5868 24.1054 24.1054 24.1054 24.1054
24.8893 24.8893 24.8893 24.8893
k = 0.0410 0.0237 0.1540 ( 6248 PWs) bands (ev):
-4.4314 -4.4314 -4.4314 -4.4314 -2.0768 -2.0768 -2.0768 -2.0768
6.9260 6.9260 6.9260 6.9260 13.5524 13.5524 13.5524 13.5524
13.9316 13.9316 13.9316 13.9316 15.1072 15.1072 15.1072 15.1072
15.5747 15.5747 15.5747 15.5747 16.3772 16.3772 16.3772 16.3772
22.6439 22.6439 22.6439 22.6439 24.0538 24.0538 24.0538 24.0538
24.8314 24.8314 24.8314 24.8314
k = 0.0492 0.0284 0.1540 ( 6252 PWs) bands (ev):
-4.4174 -4.4174 -4.4174 -4.4174 -2.0646 -2.0646 -2.0646 -2.0646
6.9377 6.9377 6.9377 6.9377 13.5283 13.5283 13.5283 13.5283
13.8685 13.8685 13.8685 13.8685 15.0351 15.0351 15.0351 15.0351
15.5516 15.5516 15.5516 15.5516 16.3361 16.3361 16.3361 16.3361
22.7064 22.7064 22.7064 22.7064 23.9895 23.9895 23.9895 23.9895
24.7701 24.7701 24.7701 24.7701
k = 0.0574 0.0331 0.1540 ( 6254 PWs) bands (ev):
-4.4009 -4.4009 -4.4009 -4.4009 -2.0502 -2.0502 -2.0502 -2.0502
6.9514 6.9514 6.9514 6.9514 13.4974 13.4974 13.4974 13.4974
13.7944 13.7944 13.7944 13.7944 14.9585 14.9585 14.9585 14.9585
15.5199 15.5199 15.5199 15.5199 16.2911 16.2911 16.2911 16.2911
22.7686 22.7686 22.7686 22.7686 23.9187 23.9187 23.9187 23.9187
24.7059 24.7059 24.7059 24.7059
k = 0.0656 0.0379 0.1540 ( 6250 PWs) bands (ev):
-4.3819 -4.3819 -4.3819 -4.3819 -2.0336 -2.0336 -2.0336 -2.0336
6.9672 6.9672 6.9672 6.9672 13.4577 13.4577 13.4577 13.4577
13.7108 13.7108 13.7108 13.7108 14.8792 14.8792 14.8792 14.8792
15.4791 15.4791 15.4791 15.4791 16.2438 16.2438 16.2438 16.2438
22.8218 22.8218 22.8218 22.8218 23.8513 23.8513 23.8513 23.8513
24.6387 24.6387 24.6387 24.6387
k = 0.0738 0.0426 0.1540 ( 6258 PWs) bands (ev):
-4.3604 -4.3604 -4.3604 -4.3604 -2.0148 -2.0148 -2.0148 -2.0148
6.9850 6.9850 6.9850 6.9850 13.4051 13.4051 13.4051 13.4051
13.6213 13.6213 13.6213 13.6213 14.7989 14.7989 14.7989 14.7989
15.4294 15.4294 15.4294 15.4294 16.1953 16.1953 16.1953 16.1953
22.8544 22.8544 22.8544 22.8544 23.8002 23.8002 23.8002 23.8002
24.5693 24.5693 24.5693 24.5693
k = 0.0820 0.0473 0.1540 ( 6256 PWs) bands (ev):
-4.3363 -4.3363 -4.3363 -4.3363 -1.9939 -1.9939 -1.9939 -1.9939
7.0047 7.0047 7.0047 7.0047 13.3333 13.3333 13.3333 13.3333
13.5322 13.5322 13.5322 13.5322 14.7188 14.7188 14.7188 14.7188
15.3712 15.3712 15.3712 15.3712 16.1467 16.1467 16.1467 16.1467
22.8543 22.8543 22.8543 22.8543 23.7770 23.7770 23.7770 23.7770
24.5010 24.5010 24.5010 24.5010
k = 0.0902 0.0521 0.1540 ( 6260 PWs) bands (ev):
-4.3098 -4.3098 -4.3098 -4.3098 -1.9709 -1.9709 -1.9709 -1.9709
7.0263 7.0263 7.0263 7.0263 13.2360 13.2360 13.2360 13.2360
13.4498 13.4498 13.4498 13.4498 14.6393 14.6393 14.6393 14.6393
15.3055 15.3055 15.3055 15.3055 16.0987 16.0987 16.0987 16.0987
22.8153 22.8153 22.8153 22.8153 23.7842 23.7842 23.7842 23.7842
24.4399 24.4399 24.4399 24.4399
k = 0.0984 0.0568 0.1540 ( 6260 PWs) bands (ev):
-4.2808 -4.2808 -4.2808 -4.2808 -1.9458 -1.9458 -1.9458 -1.9458
7.0498 7.0498 7.0498 7.0498 13.1138 13.1138 13.1138 13.1138
13.3739 13.3739 13.3739 13.3739 14.5608 14.5608 14.5608 14.5608
15.2339 15.2339 15.2339 15.2339 16.0516 16.0516 16.0516 16.0516
22.7417 22.7417 22.7417 22.7417 23.8087 23.8087 23.8087 23.8087
24.3970 24.3970 24.3970 24.3970
k = 0.1066 0.0615 0.1540 ( 6260 PWs) bands (ev):
-4.2493 -4.2493 -4.2493 -4.2493 -1.9186 -1.9186 -1.9186 -1.9186
7.0750 7.0750 7.0750 7.0750 12.9725 12.9725 12.9725 12.9725
13.2995 13.2995 13.2995 13.2995 14.4830 14.4830 14.4830 14.4830
15.1581 15.1581 15.1581 15.1581 16.0055 16.0055 16.0055 16.0055
22.6433 22.6433 22.6433 22.6433 23.8258 23.8258 23.8258 23.8258
24.3883 24.3883 24.3883 24.3883
k = 0.1148 0.0663 0.1540 ( 6244 PWs) bands (ev):
-4.2154 -4.2154 -4.2154 -4.2154 -1.8894 -1.8894 -1.8894 -1.8894
7.1019 7.1019 7.1019 7.1019 12.8174 12.8174 12.8174 12.8174
13.2221 13.2221 13.2221 13.2221 14.4055 14.4055 14.4055 14.4055
15.0802 15.0802 15.0802 15.0802 15.9603 15.9603 15.9603 15.9603
22.5292 22.5292 22.5292 22.5292 23.8141 23.8141 23.8141 23.8141
24.4265 24.4265 24.4265 24.4265
k = 0.1230 0.0710 0.1540 ( 6244 PWs) bands (ev):
-4.1790 -4.1790 -4.1790 -4.1790 -1.8581 -1.8581 -1.8581 -1.8581
7.1304 7.1304 7.1304 7.1304 12.6519 12.6519 12.6519 12.6519
13.1392 13.1392 13.1392 13.1392 14.3275 14.3275 14.3275 14.3275
15.0020 15.0020 15.0020 15.0020 15.9157 15.9157 15.9157 15.9157
22.4060 22.4060 22.4060 22.4060 23.7710 23.7710 23.7710 23.7710
24.5068 24.5068 24.5068 24.5068
k = 0.1311 0.0757 0.1540 ( 6246 PWs) bands (ev):
-4.1402 -4.1402 -4.1402 -4.1402 -1.8249 -1.8249 -1.8249 -1.8249
7.1603 7.1603 7.1603 7.1603 12.4785 12.4785 12.4785 12.4785
13.0494 13.0494 13.0494 13.0494 14.2485 14.2485 14.2485 14.2485
14.9256 14.9256 14.9256 14.9256 15.8715 15.8715 15.8715 15.8715
22.2778 22.2778 22.2778 22.2778 23.7069 23.7069 23.7069 23.7069
24.6123 24.6123 24.6123 24.6123
k = 0.1393 0.0805 0.1540 ( 6248 PWs) bands (ev):
-4.0990 -4.0990 -4.0990 -4.0990 -1.7898 -1.7898 -1.7898 -1.7898
7.1915 7.1915 7.1915 7.1915 12.2988 12.2988 12.2988 12.2988
12.9520 12.9520 12.9520 12.9520 14.1681 14.1681 14.1681 14.1681
14.8522 14.8522 14.8522 14.8522 15.8274 15.8274 15.8274 15.8274
22.1477 22.1477 22.1477 22.1477 23.6312 23.6312 23.6312 23.6312
24.7252 24.7252 24.7252 24.7252
k = 0.1475 0.0852 0.1540 ( 6248 PWs) bands (ev):
-4.0555 -4.0555 -4.0555 -4.0555 -1.7528 -1.7528 -1.7528 -1.7528
7.2240 7.2240 7.2240 7.2240 12.1144 12.1144 12.1144 12.1144
12.8466 12.8466 12.8466 12.8466 14.0861 14.0861 14.0861 14.0861
14.7830 14.7830 14.7830 14.7830 15.7834 15.7834 15.7834 15.7834
22.0172 22.0172 22.0172 22.0172 23.5498 23.5498 23.5498 23.5498
24.8251 24.8251 24.8251 24.8251
k = 0.1557 0.0899 0.1540 ( 6244 PWs) bands (ev):
-4.0096 -4.0096 -4.0096 -4.0096 -1.7140 -1.7140 -1.7140 -1.7140
7.2574 7.2574 7.2574 7.2574 11.9266 11.9266 11.9266 11.9266
12.7332 12.7332 12.7332 12.7332 14.0025 14.0025 14.0025 14.0025
14.7184 14.7184 14.7184 14.7184 15.7394 15.7394 15.7394 15.7394
21.8876 21.8876 21.8876 21.8876 23.4658 23.4658 23.4658 23.4658
24.8819 24.8819 24.8819 24.8819
k = 0.1639 0.0946 0.1540 ( 6248 PWs) bands (ev):
-3.9613 -3.9613 -3.9613 -3.9613 -1.6734 -1.6734 -1.6734 -1.6734
7.2916 7.2916 7.2916 7.2916 11.7364 11.7364 11.7364 11.7364
12.6121 12.6121 12.6121 12.6121 13.9177 13.9177 13.9177 13.9177
14.6584 14.6584 14.6584 14.6584 15.6951 15.6951 15.6951 15.6951
21.7596 21.7596 21.7596 21.7596 23.3812 23.3812 23.3812 23.3812
24.8661 24.8661 24.8661 24.8661
k = 0.1721 0.0994 0.1540 ( 6250 PWs) bands (ev):
-3.9108 -3.9108 -3.9108 -3.9108 -1.6311 -1.6311 -1.6311 -1.6311
7.3263 7.3263 7.3263 7.3263 11.5447 11.5447 11.5447 11.5447
12.4837 12.4837 12.4837 12.4837 13.8322 13.8322 13.8322 13.8322
14.6027 14.6027 14.6027 14.6027 15.6507 15.6507 15.6507 15.6507
21.6341 21.6341 21.6341 21.6341 23.2970 23.2970 23.2970 23.2970
24.7841 24.7841 24.7841 24.7841
k = 0.1803 0.1041 0.1540 ( 6246 PWs) bands (ev):
-3.8579 -3.8579 -3.8579 -3.8579 -1.5871 -1.5871 -1.5871 -1.5871
7.3611 7.3611 7.3611 7.3611 11.3527 11.3527 11.3527 11.3527
12.3485 12.3485 12.3485 12.3485 13.7467 13.7467 13.7467 13.7467
14.5507 14.5507 14.5507 14.5507 15.6059 15.6059 15.6059 15.6059
21.5113 21.5113 21.5113 21.5113 23.2140 23.2140 23.2140 23.2140
24.6639 24.6639 24.6639 24.6639
k = 0.1885 0.1088 0.1540 ( 6244 PWs) bands (ev):
-3.8029 -3.8029 -3.8029 -3.8029 -1.5416 -1.5416 -1.5416 -1.5416
7.3958 7.3958 7.3958 7.3958 11.1610 11.1610 11.1610 11.1610
12.2073 12.2073 12.2073 12.2073 13.6616 13.6616 13.6616 13.6616
14.5017 14.5017 14.5017 14.5017 15.5610 15.5610 15.5610 15.5610
21.3916 21.3916 21.3916 21.3916 23.1326 23.1326 23.1326 23.1326
24.5246 24.5246 24.5246 24.5246
k = 0.1967 0.1136 0.1540 ( 6250 PWs) bands (ev):
-3.7456 -3.7456 -3.7456 -3.7456 -1.4946 -1.4946 -1.4946 -1.4946
7.4299 7.4299 7.4299 7.4299 10.9707 10.9707 10.9707 10.9707
12.0608 12.0608 12.0608 12.0608 13.5773 13.5773 13.5773 13.5773
14.4552 14.4552 14.4552 14.4552 15.5158 15.5158 15.5158 15.5158
21.2752 21.2752 21.2752 21.2752 23.0530 23.0530 23.0530 23.0530
24.3758 24.3758 24.3758 24.3758
k = 0.2049 0.1183 0.1540 ( 6250 PWs) bands (ev):
-3.6861 -3.6861 -3.6861 -3.6861 -1.4461 -1.4461 -1.4461 -1.4461
7.4628 7.4628 7.4628 7.4628 10.7825 10.7825 10.7825 10.7825
11.9099 11.9099 11.9099 11.9099 13.4944 13.4944 13.4944 13.4944
14.4103 14.4103 14.4103 14.4103 15.4704 15.4704 15.4704 15.4704
21.1623 21.1623 21.1623 21.1623 22.9756 22.9756 22.9756 22.9756
24.2227 24.2227 24.2227 24.2227
k = 0.2131 0.1230 0.1540 ( 6250 PWs) bands (ev):
-3.6246 -3.6246 -3.6246 -3.6246 -1.3964 -1.3964 -1.3964 -1.3964
7.4938 7.4938 7.4938 7.4938 10.5974 10.5974 10.5974 10.5974
11.7557 11.7557 11.7557 11.7557 13.4130 13.4130 13.4130 13.4130
14.3667 14.3667 14.3667 14.3667 15.4248 15.4248 15.4248 15.4248
21.0530 21.0530 21.0530 21.0530 22.9002 22.9002 22.9002 22.9002
24.0683 24.0683 24.0683 24.0683
k = 0.2213 0.1278 0.1540 ( 6246 PWs) bands (ev):
-3.5609 -3.5609 -3.5609 -3.5609 -1.3454 -1.3454 -1.3454 -1.3454
7.5222 7.5222 7.5222 7.5222 10.4162 10.4162 10.4162 10.4162
11.5990 11.5990 11.5990 11.5990 13.3333 13.3333 13.3333 13.3333
14.3236 14.3236 14.3236 14.3236 15.3789 15.3789 15.3789 15.3789
20.9474 20.9474 20.9474 20.9474 22.8269 22.8269 22.8269 22.8269
23.9147 23.9147 23.9147 23.9147
k = 0.2295 0.1325 0.1540 ( 6258 PWs) bands (ev):
-3.4953 -3.4953 -3.4953 -3.4953 -1.2934 -1.2934 -1.2934 -1.2934
7.5470 7.5470 7.5470 7.5470 10.2400 10.2400 10.2400 10.2400
11.4410 11.4410 11.4410 11.4410 13.2556 13.2556 13.2556 13.2556
14.2809 14.2809 14.2809 14.2809 15.3327 15.3327 15.3327 15.3327
20.8455 20.8455 20.8455 20.8455 22.7556 22.7556 22.7556 22.7556
23.7635 23.7635 23.7635 23.7635
k = 0.2377 0.1372 0.1540 ( 6258 PWs) bands (ev):
-3.4276 -3.4276 -3.4276 -3.4276 -1.2404 -1.2404 -1.2404 -1.2404
7.5671 7.5671 7.5671 7.5671 10.0697 10.0697 10.0697 10.0697
11.2828 11.2828 11.2828 11.2828 13.1797 13.1797 13.1797 13.1797
14.2380 14.2380 14.2380 14.2380 15.2863 15.2863 15.2863 15.2863
20.7475 20.7475 20.7475 20.7475 22.6859 22.6859 22.6859 22.6859
23.6161 23.6161 23.6161 23.6161
k = 0.2459 0.1420 0.1540 ( 6264 PWs) bands (ev):
-3.3581 -3.3581 -3.3581 -3.3581 -1.1865 -1.1865 -1.1865 -1.1865
7.5810 7.5810 7.5810 7.5810 9.9066 9.9066 9.9066 9.9066
11.1255 11.1255 11.1255 11.1255 13.1060 13.1060 13.1060 13.1060
14.1948 14.1948 14.1948 14.1948 15.2396 15.2396 15.2396 15.2396
20.6533 20.6533 20.6533 20.6533 22.6175 22.6175 22.6175 22.6175
23.4738 23.4738 23.4738 23.4738
k = 0.2541 0.1467 0.1540 ( 6262 PWs) bands (ev):
-3.2867 -3.2867 -3.2867 -3.2867 -1.1320 -1.1320 -1.1320 -1.1320
7.5874 7.5874 7.5874 7.5874 9.7515 9.7515 9.7515 9.7515
10.9705 10.9705 10.9705 10.9705 13.0343 13.0343 13.0343 13.0343
14.1510 14.1510 14.1510 14.1510 15.1925 15.1925 15.1925 15.1925
20.5630 20.5630 20.5630 20.5630 22.5497 22.5497 22.5497 22.5497
23.3381 23.3381 23.3381 23.3381
k = 0.2623 0.1514 0.1540 ( 6266 PWs) bands (ev):
-3.2135 -3.2135 -3.2135 -3.2135 -1.0769 -1.0769 -1.0769 -1.0769
7.5844 7.5844 7.5844 7.5844 9.6055 9.6055 9.6055 9.6055
10.8193 10.8193 10.8193 10.8193 12.9647 12.9647 12.9647 12.9647
14.1063 14.1063 14.1063 14.1063 15.1451 15.1451 15.1451 15.1451
20.4764 20.4764 20.4764 20.4764 22.4817 22.4817 22.4817 22.4817
23.2100 23.2100 23.2100 23.2100
k = 0.2705 0.1562 0.1540 ( 6272 PWs) bands (ev):
-3.1386 -3.1386 -3.1386 -3.1386 -1.0215 -1.0215 -1.0215 -1.0215
7.5706 7.5706 7.5706 7.5706 9.4692 9.4692 9.4692 9.4692
10.6738 10.6738 10.6738 10.6738 12.8973 12.8973 12.8973 12.8973
14.0608 14.0608 14.0608 14.0608 15.0974 15.0974 15.0974 15.0974
20.3937 20.3937 20.3937 20.3937 22.4124 22.4124 22.4124 22.4124
23.0914 23.0914 23.0914 23.0914
k = 0.2787 0.1609 0.1540 ( 6284 PWs) bands (ev):
-3.0621 -3.0621 -3.0621 -3.0621 -0.9658 -0.9658 -0.9658 -0.9658
7.5444 7.5444 7.5444 7.5444 9.3425 9.3425 9.3425 9.3425
10.5361 10.5361 10.5361 10.5361 12.8320 12.8320 12.8320 12.8320
14.0142 14.0142 14.0142 14.0142 15.0492 15.0492 15.0492 15.0492
20.3146 20.3146 20.3146 20.3146 22.3408 22.3408 22.3408 22.3408
22.9836 22.9836 22.9836 22.9836
k = 0.2869 0.1656 0.1540 ( 6274 PWs) bands (ev):
-2.9840 -2.9840 -2.9840 -2.9840 -0.9102 -0.9102 -0.9102 -0.9102
7.5050 7.5050 7.5050 7.5050 9.2246 9.2246 9.2246 9.2246
10.4086 10.4086 10.4086 10.4086 12.7691 12.7691 12.7691 12.7691
13.9664 13.9664 13.9664 13.9664 15.0007 15.0007 15.0007 15.0007
20.2393 20.2393 20.2393 20.2393 22.2657 22.2657 22.2657 22.2657
22.8883 22.8883 22.8883 22.8883
k = 0.2951 0.1704 0.1540 ( 6282 PWs) bands (ev):
-2.9046 -2.9046 -2.9046 -2.9046 -0.8549 -0.8549 -0.8549 -0.8549
7.4521 7.4521 7.4521 7.4521 9.1137 9.1137 9.1137 9.1137
10.2940 10.2940 10.2940 10.2940 12.7083 12.7083 12.7083 12.7083
13.9175 13.9175 13.9175 13.9175 14.9518 14.9518 14.9518 14.9518
20.1676 20.1676 20.1676 20.1676 22.1866 22.1866 22.1866 22.1866
22.8060 22.8060 22.8060 22.8060
k = 0.3033 0.1751 0.1540 ( 6286 PWs) bands (ev):
-2.8238 -2.8238 -2.8238 -2.8238 -0.8000 -0.8000 -0.8000 -0.8000
7.3864 7.3864 7.3864 7.3864 9.0069 9.0069 9.0069 9.0069
10.1953 10.1953 10.1953 10.1953 12.6499 12.6499 12.6499 12.6499
13.8672 13.8672 13.8672 13.8672 14.9027 14.9027 14.9027 14.9027
20.0994 20.0994 20.0994 20.0994 22.1037 22.1037 22.1037 22.1037
22.7372 22.7372 22.7372 22.7372
k = 0.3115 0.1798 0.1540 ( 6290 PWs) bands (ev):
-2.7418 -2.7418 -2.7418 -2.7418 -0.7459 -0.7459 -0.7459 -0.7459
7.3093 7.3093 7.3093 7.3093 8.9008 8.9008 8.9008 8.9008
10.1149 10.1149 10.1149 10.1149 12.5938 12.5938 12.5938 12.5938
13.8155 13.8155 13.8155 13.8155 14.8534 14.8534 14.8534 14.8534
20.0347 20.0347 20.0347 20.0347 22.0175 22.0175 22.0175 22.0175
22.6812 22.6812 22.6812 22.6812
k = 0.3197 0.1846 0.1540 ( 6276 PWs) bands (ev):
-2.6588 -2.6588 -2.6588 -2.6588 -0.6928 -0.6928 -0.6928 -0.6928
7.2229 7.2229 7.2229 7.2229 8.7925 8.7925 8.7925 8.7925
10.0544 10.0544 10.0544 10.0544 12.5402 12.5402 12.5402 12.5402
13.7624 13.7624 13.7624 13.7624 14.8041 14.8041 14.8041 14.8041
19.9734 19.9734 19.9734 19.9734 21.9295 21.9295 21.9295 21.9295
22.6369 22.6369 22.6369 22.6369
k = 0.3279 0.1893 0.1540 ( 6294 PWs) bands (ev):
-2.5749 -2.5749 -2.5749 -2.5749 -0.6409 -0.6409 -0.6409 -0.6409
7.1294 7.1294 7.1294 7.1294 8.6799 8.6799 8.6799 8.6799
10.0142 10.0142 10.0142 10.0142 12.4889 12.4889 12.4889 12.4889
13.7078 13.7078 13.7078 13.7078 14.7549 14.7549 14.7549 14.7549
19.9153 19.9153 19.9153 19.9153 21.8409 21.8409 21.8409 21.8409
22.6030 22.6030 22.6030 22.6030
k = 0.3361 0.1940 0.1540 ( 6294 PWs) bands (ev):
-2.4902 -2.4902 -2.4902 -2.4902 -0.5906 -0.5906 -0.5906 -0.5906
7.0312 7.0312 7.0312 7.0312 8.5621 8.5621 8.5621 8.5621
9.9934 9.9934 9.9934 9.9934 12.4402 12.4402 12.4402 12.4402
13.6516 13.6516 13.6516 13.6516 14.7060 14.7060 14.7060 14.7060
19.8605 19.8605 19.8605 19.8605 21.7530 21.7530 21.7530 21.7530
22.5783 22.5783 22.5783 22.5783
k = 0.3443 0.1988 0.1540 ( 6298 PWs) bands (ev):
-2.4050 -2.4050 -2.4050 -2.4050 -0.5422 -0.5422 -0.5422 -0.5422
6.9305 6.9305 6.9305 6.9305 8.4393 8.4393 8.4393 8.4393
9.9900 9.9900 9.9900 9.9900 12.3940 12.3940 12.3940 12.3940
13.5938 13.5938 13.5938 13.5938 14.6576 14.6576 14.6576 14.6576
19.8087 19.8087 19.8087 19.8087 21.6671 21.6671 21.6671 21.6671
22.5616 22.5616 22.5616 22.5616
k = 0.3525 0.2035 0.1540 ( 6302 PWs) bands (ev):
-2.3195 -2.3195 -2.3195 -2.3195 -0.4961 -0.4961 -0.4961 -0.4961
6.8293 6.8293 6.8293 6.8293 8.3125 8.3125 8.3125 8.3125
10.0017 10.0017 10.0017 10.0017 12.3504 12.3504 12.3504 12.3504
13.5342 13.5342 13.5342 13.5342 14.6101 14.6101 14.6101 14.6101
19.7600 19.7600 19.7600 19.7600 21.5838 21.5838 21.5838 21.5838
22.5522 22.5522 22.5522 22.5522
k = 0.3607 0.2082 0.1540 ( 6306 PWs) bands (ev):
-2.2338 -2.2338 -2.2338 -2.2338 -0.4524 -0.4524 -0.4524 -0.4524
6.7293 6.7293 6.7293 6.7293 8.1829 8.1829 8.1829 8.1829
10.0260 10.0260 10.0260 10.0260 12.3096 12.3096 12.3096 12.3096
13.4730 13.4730 13.4730 13.4730 14.5636 14.5636 14.5636 14.5636
19.7142 19.7142 19.7142 19.7142 21.5038 21.5038 21.5038 21.5038
22.5492 22.5492 22.5492 22.5492
k = 0.3689 0.2130 0.1540 ( 6306 PWs) bands (ev):
-2.1483 -2.1483 -2.1483 -2.1483 -0.4116 -0.4116 -0.4116 -0.4116
6.6320 6.6320 6.6320 6.6320 8.0520 8.0520 8.0520 8.0520
10.0606 10.0606 10.0606 10.0606 12.2715 12.2715 12.2715 12.2715
13.4101 13.4101 13.4101 13.4101 14.5184 14.5184 14.5184 14.5184
19.6713 19.6713 19.6713 19.6713 21.4277 21.4277 21.4277 21.4277
22.5519 22.5519 22.5519 22.5519
k = 0.3770 0.2177 0.1540 ( 6306 PWs) bands (ev):
-2.0631 -2.0631 -2.0631 -2.0631 -0.3740 -0.3740 -0.3740 -0.3740
6.5387 6.5387 6.5387 6.5387 7.9210 7.9210 7.9210 7.9210
10.1033 10.1033 10.1033 10.1033 12.2363 12.2363 12.2363 12.2363
13.3456 13.3456 13.3456 13.3456 14.4749 14.4749 14.4749 14.4749
19.6311 19.6311 19.6311 19.6311 21.3558 21.3558 21.3558 21.3558
22.5599 22.5599 22.5599 22.5599
k = 0.3852 0.2224 0.1540 ( 6314 PWs) bands (ev):
-1.9788 -1.9788 -1.9788 -1.9788 -0.3398 -0.3398 -0.3398 -0.3398
6.4505 6.4505 6.4505 6.4505 7.7910 7.7910 7.7910 7.7910
10.1524 10.1524 10.1524 10.1524 12.2041 12.2041 12.2041 12.2041
13.2795 13.2795 13.2795 13.2795 14.4331 14.4331 14.4331 14.4331
19.5937 19.5937 19.5937 19.5937 21.2882 21.2882 21.2882 21.2882
22.5726 22.5726 22.5726 22.5726
k = 0.3934 0.2272 0.1540 ( 6310 PWs) bands (ev):
-1.8955 -1.8955 -1.8955 -1.8955 -0.3094 -0.3094 -0.3094 -0.3094
6.3682 6.3682 6.3682 6.3682 7.6631 7.6631 7.6631 7.6631
10.2063 10.2063 10.2063 10.2063 12.1750 12.1750 12.1750 12.1750
13.2120 13.2120 13.2120 13.2120 14.3935 14.3935 14.3935 14.3935
19.5590 19.5590 19.5590 19.5590 21.2253 21.2253 21.2253 21.2253
22.5895 22.5895 22.5895 22.5895
k = 0.4016 0.2319 0.1540 ( 6310 PWs) bands (ev):
-1.8138 -1.8138 -1.8138 -1.8138 -0.2829 -0.2829 -0.2829 -0.2829
6.2925 6.2925 6.2925 6.2925 7.5382 7.5382 7.5382 7.5382
10.2637 10.2637 10.2637 10.2637 12.1491 12.1491 12.1491 12.1491
13.1434 13.1434 13.1434 13.1434 14.3562 14.3562 14.3562 14.3562
19.5269 19.5269 19.5269 19.5269 21.1670 21.1670 21.1670 21.1670
22.6100 22.6100 22.6100 22.6100
k = 0.4098 0.2366 0.1540 ( 6308 PWs) bands (ev):
-1.7340 -1.7340 -1.7340 -1.7340 -0.2604 -0.2604 -0.2604 -0.2604
6.2242 6.2242 6.2242 6.2242 7.4173 7.4173 7.4173 7.4173
10.3231 10.3231 10.3231 10.3231 12.1266 12.1266 12.1266 12.1266
13.0739 13.0739 13.0739 13.0739 14.3214 14.3214 14.3214 14.3214
19.4974 19.4974 19.4974 19.4974 21.1134 21.1134 21.1134 21.1134
22.6335 22.6335 22.6335 22.6335
k = 0.4180 0.2414 0.1540 ( 6308 PWs) bands (ev):
-1.6568 -1.6568 -1.6568 -1.6568 -0.2422 -0.2422 -0.2422 -0.2422
6.1637 6.1637 6.1637 6.1637 7.3012 7.3012 7.3012 7.3012
10.3835 10.3835 10.3835 10.3835 12.1077 12.1077 12.1077 12.1077
13.0040 13.0040 13.0040 13.0040 14.2892 14.2892 14.2892 14.2892
19.4705 19.4705 19.4705 19.4705 21.0645 21.0645 21.0645 21.0645
22.6596 22.6596 22.6596 22.6596
k = 0.4262 0.2461 0.1540 ( 6302 PWs) bands (ev):
-1.5827 -1.5827 -1.5827 -1.5827 -0.2280 -0.2280 -0.2280 -0.2280
6.1111 6.1111 6.1111 6.1111 7.1907 7.1907 7.1907 7.1907
10.4436 10.4436 10.4436 10.4436 12.0924 12.0924 12.0924 12.0924
12.9343 12.9343 12.9343 12.9343 14.2599 14.2599 14.2599 14.2599
19.4461 19.4461 19.4461 19.4461 21.0205 21.0205 21.0205 21.0205
22.6873 22.6873 22.6873 22.6873
k = 0.4344 0.2508 0.1540 ( 6298 PWs) bands (ev):
-1.5124 -1.5124 -1.5124 -1.5124 -0.2178 -0.2178 -0.2178 -0.2178
6.0666 6.0666 6.0666 6.0666 7.0868 7.0868 7.0868 7.0868
10.5023 10.5023 10.5023 10.5023 12.0811 12.0811 12.0811 12.0811
12.8653 12.8653 12.8653 12.8653 14.2334 14.2334 14.2334 14.2334
19.4244 19.4244 19.4244 19.4244 20.9812 20.9812 20.9812 20.9812
22.7161 22.7161 22.7161 22.7161
k = 0.4426 0.2555 0.1540 ( 6292 PWs) bands (ev):
-1.4468 -1.4468 -1.4468 -1.4468 -0.2112 -0.2112 -0.2112 -0.2112
6.0302 6.0302 6.0302 6.0302 6.9904 6.9904 6.9904 6.9904
10.5583 10.5583 10.5583 10.5583 12.0738 12.0738 12.0738 12.0738
12.7979 12.7979 12.7979 12.7979 14.2100 14.2100 14.2100 14.2100
19.4051 19.4051 19.4051 19.4051 20.9466 20.9466 20.9466 20.9466
22.7451 22.7451 22.7451 22.7451
k = 0.4508 0.2603 0.1540 ( 6302 PWs) bands (ev):
-1.3867 -1.3867 -1.3867 -1.3867 -0.2078 -0.2078 -0.2078 -0.2078
6.0015 6.0015 6.0015 6.0015 6.9025 6.9025 6.9025 6.9025
10.6104 10.6104 10.6104 10.6104 12.0704 12.0704 12.0704 12.0704
12.7331 12.7331 12.7331 12.7331 14.1895 14.1895 14.1895 14.1895
19.3884 19.3884 19.3884 19.3884 20.9167 20.9167 20.9167 20.9167
22.7733 22.7733 22.7733 22.7733
k = 0.4590 0.2650 0.1540 ( 6298 PWs) bands (ev):
-1.3331 -1.3331 -1.3331 -1.3331 -0.2071 -0.2071 -0.2071 -0.2071
5.9799 5.9799 5.9799 5.9799 6.8245 6.8245 6.8245 6.8245
10.6575 10.6575 10.6575 10.6575 12.0709 12.0709 12.0709 12.0709
12.6722 12.6722 12.6722 12.6722 14.1722 14.1722 14.1722 14.1722
19.3743 19.3743 19.3743 19.3743 20.8914 20.8914 20.8914 20.8914
22.7997 22.7997 22.7997 22.7997
k = 0.4672 0.2697 0.1540 ( 6290 PWs) bands (ev):
-1.2870 -1.2870 -1.2870 -1.2870 -0.2082 -0.2082 -0.2082 -0.2082
5.9646 5.9646 5.9646 5.9646 6.7575 6.7575 6.7575 6.7575
10.6981 10.6981 10.6981 10.6981 12.0747 12.0747 12.0747 12.0747
12.6169 12.6169 12.6169 12.6169 14.1580 14.1580 14.1580 14.1580
19.3627 19.3627 19.3627 19.3627 20.8709 20.8709 20.8709 20.8709
22.8233 22.8233 22.8233 22.8233
k = 0.4754 0.2745 0.1540 ( 6280 PWs) bands (ev):
-1.2497 -1.2497 -1.2497 -1.2497 -0.2103 -0.2103 -0.2103 -0.2103
5.9546 5.9546 5.9546 5.9546 6.7031 6.7031 6.7031 6.7031
10.7312 10.7312 10.7312 10.7312 12.0809 12.0809 12.0809 12.0809
12.5693 12.5693 12.5693 12.5693 14.1469 14.1469 14.1469 14.1469
19.3537 19.3537 19.3537 19.3537 20.8549 20.8549 20.8549 20.8549
22.8430 22.8430 22.8430 22.8430
k = 0.4836 0.2792 0.1540 ( 6280 PWs) bands (ev):
-1.2221 -1.2221 -1.2221 -1.2221 -0.2126 -0.2126 -0.2126 -0.2126
5.9488 5.9488 5.9488 5.9488 6.6628 6.6628 6.6628 6.6628
10.7557 10.7557 10.7557 10.7557 12.0878 12.0878 12.0878 12.0878
12.5319 12.5319 12.5319 12.5319 14.1390 14.1390 14.1390 14.1390
19.3473 19.3473 19.3473 19.3473 20.8435 20.8435 20.8435 20.8435
22.8579 22.8579 22.8579 22.8579
k = 0.4918 0.2839 0.1540 ( 6284 PWs) bands (ev):
-1.2051 -1.2051 -1.2051 -1.2051 -0.2144 -0.2144 -0.2144 -0.2144
5.9458 5.9458 5.9458 5.9458 6.6379 6.6379 6.6379 6.6379
10.7708 10.7708 10.7708 10.7708 12.0934 12.0934 12.0934 12.0934
12.5077 12.5077 12.5077 12.5077 14.1342 14.1342 14.1342 14.1342
19.3434 19.3434 19.3434 19.3434 20.8367 20.8367 20.8367 20.8367
22.8672 22.8672 22.8672 22.8672
k = 0.5000 0.2887 0.1540 ( 6280 PWs) bands (ev):
-1.1994 -1.1994 -1.1994 -1.1994 -0.2150 -0.2150 -0.2150 -0.2150
5.9449 5.9449 5.9449 5.9449 6.6295 6.6295 6.6295 6.6295
10.7758 10.7758 10.7758 10.7758 12.0955 12.0955 12.0955 12.0955
12.4993 12.4993 12.4993 12.4993 14.1327 14.1327 14.1327 14.1327
19.3421 19.3421 19.3421 19.3421 20.8344 20.8344 20.8344 20.8344
22.8703 22.8703 22.8703 22.8703
k = 0.5000 0.2887 0.1540 ( 6280 PWs) bands (ev):
-1.1994 -1.1994 -1.1994 -1.1994 -0.2150 -0.2150 -0.2150 -0.2150
5.9449 5.9449 5.9449 5.9449 6.6295 6.6295 6.6295 6.6295
10.7758 10.7758 10.7758 10.7758 12.0955 12.0955 12.0955 12.0955
12.4993 12.4993 12.4993 12.4993 14.1327 14.1327 14.1327 14.1327
19.3421 19.3421 19.3421 19.3421 20.8344 20.8344 20.8344 20.8344
22.8703 22.8703 22.8703 22.8703
k = 0.4952 0.2969 0.1540 ( 6288 PWs) bands (ev):
-1.1984 -1.1984 -1.1984 -1.1984 -0.2146 -0.2146 -0.2146 -0.2146
5.9453 5.9453 5.9471 5.9471 6.6285 6.6285 6.6330 6.6330
10.7567 10.7567 10.7913 10.7913 12.0708 12.0708 12.1078 12.1078
12.4817 12.4817 12.5097 12.5097 14.1145 14.1145 14.1403 14.1403
19.3538 19.3538 19.3558 19.3558 20.8346 20.8346 20.8394 20.8394
22.8730 22.8730 22.8814 22.8814
k = 0.4905 0.3052 0.1540 ( 6284 PWs) bands (ev):
-1.1955 -1.1955 -1.1955 -1.1955 -0.2133 -0.2133 -0.2133 -0.2133
5.9481 5.9481 5.9517 5.9517 6.6300 6.6300 6.6389 6.6389
10.7334 10.7334 10.8032 10.8032 12.0338 12.0338 12.1079 12.1079
12.4568 12.4568 12.5125 12.5125 14.0862 14.0862 14.1376 14.1376
19.3908 19.3908 19.3947 19.3947 20.8397 20.8397 20.8491 20.8491
22.8897 22.8897 22.9064 22.9064
k = 0.4857 0.3134 0.1540 ( 6286 PWs) bands (ev):
-1.1907 -1.1907 -1.1906 -1.1906 -0.2111 -0.2111 -0.2111 -0.2111
5.9534 5.9534 5.9588 5.9588 6.6338 6.6338 6.6473 6.6473
10.7055 10.7055 10.8114 10.8114 11.9855 11.9855 12.0969 12.0969
12.4246 12.4246 12.5075 12.5075 14.0484 14.0484 14.1253 14.1253
19.4523 19.4523 19.4581 19.4581 20.8486 20.8486 20.8627 20.8627
22.9207 22.9207 22.9457 22.9457
k = 0.4810 0.3217 0.1540 ( 6284 PWs) bands (ev):
-1.1839 -1.1839 -1.1837 -1.1837 -0.2082 -0.2082 -0.2081 -0.2081
5.9612 5.9612 5.9684 5.9684 6.6400 6.6400 6.6582 6.6582
10.6720 10.6720 10.8152 10.8152 11.9275 11.9275 12.0764 12.0764
12.3849 12.3849 12.4940 12.4940 14.0024 14.0024 14.1044 14.1044
19.5376 19.5376 19.5452 19.5452 20.8601 20.8601 20.8786 20.8786
22.9665 22.9665 22.9996 22.9996
k = 0.4762 0.3299 0.1540 ( 6288 PWs) bands (ev):
-1.1751 -1.1751 -1.1750 -1.1750 -0.2044 -0.2044 -0.2043 -0.2043
5.9713 5.9713 5.9804 5.9804 6.6485 6.6485 6.6716 6.6716
10.6321 10.6321 10.8138 10.8138 11.8619 11.8619 12.0484 12.0484
12.3373 12.3373 12.4715 12.4715 13.9498 13.9498 14.0763 14.0763
19.6454 19.6454 19.6545 19.6545 20.8723 20.8723 20.8949 20.8949
23.0277 23.0277 23.0687 23.0687
k = 0.4714 0.3382 0.1540 ( 6288 PWs) bands (ev):
-1.1645 -1.1645 -1.1643 -1.1643 -0.1998 -0.1998 -0.1997 -0.1997
5.9839 5.9839 5.9950 5.9950 6.6593 6.6593 6.6874 6.6874
10.5847 10.5847 10.8055 10.8055 11.7919 11.7919 12.0153 12.0153
12.2816 12.2816 12.4392 12.4392 13.8924 13.8924 14.0425 14.0425
19.7743 19.7743 19.7847 19.7847 20.8834 20.8834 20.9096 20.9096
23.1047 23.1047 23.1534 23.1534
k = 0.4667 0.3464 0.1540 ( 6288 PWs) bands (ev):
-1.1520 -1.1520 -1.1517 -1.1517 -0.1946 -0.1946 -0.1945 -0.1945
5.9989 5.9989 6.0120 6.0120 6.6723 6.6723 6.7058 6.7058
10.5289 10.5289 10.7883 10.7883 11.7210 11.7210 11.9792 11.9792
12.2176 12.2176 12.3965 12.3965 13.8323 13.8323 14.0046 14.0046
19.9227 19.9227 19.9344 19.9344 20.8914 20.8914 20.9208 20.9208
23.1978 23.1978 23.2537 23.2537
k = 0.4619 0.3547 0.1540 ( 6276 PWs) bands (ev):
-1.1376 -1.1376 -1.1373 -1.1373 -0.1887 -0.1887 -0.1885 -0.1885
6.0162 6.0162 6.0315 6.0315 6.6876 6.6876 6.7266 6.7266
10.4639 10.4639 10.7594 10.7594 11.6532 11.6532 11.9417 11.9417
12.1460 12.1460 12.3426 12.3426 13.7716 13.7716 13.9640 13.9640
20.0889 20.0889 20.1018 20.1018 20.8947 20.8947 20.9267 20.9267
23.3068 23.3068 23.3694 23.3694
k = 0.4571 0.3629 0.1540 ( 6276 PWs) bands (ev):
-1.1213 -1.1213 -1.1210 -1.1210 -0.1822 -0.1822 -0.1820 -0.1820
6.0358 6.0358 6.0533 6.0533 6.7049 6.7049 6.7499 6.7499
10.3891 10.3891 10.7162 10.7162 11.5928 11.5928 11.9025 11.9025
12.0689 12.0689 12.2773 12.2773 13.7121 13.7121 13.9222 13.9222
20.2711 20.2711 20.2855 20.2855 20.8919 20.8919 20.9260 20.9260
23.4308 23.4308 23.4998 23.4998
k = 0.4524 0.3712 0.1540 ( 6278 PWs) bands (ev):
-1.1033 -1.1033 -1.1029 -1.1029 -0.1752 -0.1752 -0.1750 -0.1750
6.0577 6.0577 6.0776 6.0776 6.7242 6.7242 6.7756 6.7756
10.3044 10.3044 10.6567 10.6567 11.5427 11.5427 11.8564 11.8564
11.9934 11.9934 12.2006 12.2006 13.6553 13.6553 13.8803 13.8803
20.4669 20.4669 20.4837 20.4837 20.8821 20.8821 20.9187 20.9187
23.5683 23.5683 23.6431 23.6431
k = 0.4476 0.3794 0.1540 ( 6286 PWs) bands (ev):
-1.0835 -1.0835 -1.0831 -1.0831 -0.1677 -0.1677 -0.1675 -0.1675
6.0817 6.0817 6.1042 6.1042 6.7455 6.7455 6.8038 6.8038
10.2102 10.2102 10.5804 10.5804 11.5045 11.5045 11.7896 11.7896
11.9345 11.9345 12.1134 12.1134 13.6024 13.6024 13.8391 13.8391
20.6712 20.6712 20.6946 20.6946 20.8653 20.8653 20.9080 20.9080
23.7169 23.7169 23.7964 23.7964
k = 0.4429 0.3876 0.1540 ( 6290 PWs) bands (ev):
-1.0619 -1.0619 -1.0615 -1.0615 -0.1599 -0.1599 -0.1597 -0.1597
6.1079 6.1079 6.1332 6.1332 6.7686 6.7686 6.8343 6.8343
10.1071 10.1071 10.4888 10.4888 11.4767 11.4767 11.6953 11.6953
11.9004 11.9004 12.0174 12.0174 13.5537 13.5537 13.7992 13.7992
20.8263 20.8263 20.8349 20.8349 20.9231 20.9231 20.9499 20.9499
23.8722 23.8722 23.9538 23.9538
k = 0.4381 0.3959 0.1540 ( 6290 PWs) bands (ev):
-1.0386 -1.0386 -1.0382 -1.0382 -0.1519 -0.1519 -0.1516 -0.1516
6.1362 6.1362 6.1645 6.1645 6.7933 6.7933 6.8672 6.8672
9.9963 9.9963 10.3843 10.3843 11.4556 11.4556 11.5819 11.5819
11.8836 11.8836 11.9163 11.9163 13.5094 13.5094 13.7610 13.7610
20.8040 20.8040 20.8204 20.8204 21.1550 21.1550 21.1553 21.1553
24.0243 24.0243 24.0989 24.0989
k = 0.4333 0.4041 0.1540 ( 6294 PWs) bands (ev):
-1.0137 -1.0137 -1.0132 -1.0132 -0.1438 -0.1438 -0.1435 -0.1435
6.1665 6.1665 6.1979 6.1979 6.8196 6.8196 6.9024 6.9024
9.8789 9.8789 10.2703 10.2703 11.4337 11.4337 11.4565 11.4565
11.8168 11.8168 11.8776 11.8776 13.4691 13.4691 13.7244 13.7244
20.7636 20.7636 20.7819 20.7819 21.3949 21.3949 21.3984 21.3984
24.1391 24.1391 24.1866 24.1866
k = 0.4286 0.4124 0.1540 ( 6284 PWs) bands (ev):
-0.9873 -0.9873 -0.9867 -0.9867 -0.1357 -0.1357 -0.1353 -0.1353
6.1986 6.1986 6.2336 6.2336 6.8473 6.8473 6.9398 6.9398
9.7564 9.7564 10.1497 10.1497 11.3225 11.3225 11.3973 11.3973
11.7321 11.7321 11.8797 11.8797 13.4322 13.4322 13.6893 13.6893
20.7163 20.7163 20.7334 20.7334 21.6461 21.6461 21.6503 21.6503
24.1649 24.1649 24.1986 24.1986
k = 0.4238 0.4206 0.1540 ( 6292 PWs) bands (ev):
-0.9592 -0.9592 -0.9587 -0.9587 -0.1278 -0.1278 -0.1274 -0.1274
6.2325 6.2325 6.2713 6.2713 6.8761 6.8761 6.9794 6.9794
9.6302 9.6302 10.0254 10.0254 11.1817 11.1817 11.3295 11.3295
11.6791 11.6791 11.8887 11.8887 13.3981 13.3981 13.6556 13.6556
20.6630 20.6630 20.6777 20.6777 21.9055 21.9055 21.9092 21.9092
24.1503 24.1503 24.1841 24.1841
k = 0.4190 0.4289 0.1540 ( 6300 PWs) bands (ev):
-0.9298 -0.9298 -0.9292 -0.9292 -0.1202 -0.1202 -0.1197 -0.1197
6.2680 6.2680 6.3110 6.3110 6.9059 6.9059 7.0210 7.0210
9.5017 9.5017 9.8995 9.8995 11.0357 11.0357 11.2266 11.2266
11.6614 11.6614 11.9036 11.9036 13.3660 13.3660 13.6228 13.6228
20.6047 20.6047 20.6165 20.6165 22.1715 22.1715 22.1740 22.1740
24.1322 24.1322 24.1675 24.1675
k = 0.4143 0.4371 0.1540 ( 6300 PWs) bands (ev):
-0.8989 -0.8989 -0.8983 -0.8983 -0.1131 -0.1131 -0.1125 -0.1125
6.3049 6.3049 6.3527 6.3527 6.9363 6.9363 7.0647 7.0647
9.3722 9.3722 9.7743 9.7743 10.8855 10.8855 11.1005 11.1005
11.6677 11.6677 11.9238 11.9238 13.3353 13.3353 13.5906 13.5906
20.5424 20.5424 20.5510 20.5510 22.4430 22.4430 22.4432 22.4432
24.1188 24.1188 24.1556 24.1556
k = 0.4095 0.4454 0.1540 ( 6292 PWs) bands (ev):
-0.8667 -0.8667 -0.8661 -0.8661 -0.1066 -0.1066 -0.1059 -0.1059
6.3431 6.3431 6.3960 6.3960 6.9671 6.9671 7.1101 7.1101
9.2431 9.2431 9.6513 9.6513 10.7322 10.7322 10.9617 10.9617
11.6881 11.6881 11.9487 11.9487 13.3053 13.3053 13.5587 13.5587
20.4772 20.4772 20.4825 20.4825 22.7151 22.7151 22.7183 22.7183
24.1122 24.1122 24.1513 24.1513
k = 0.4048 0.4536 0.1540 ( 6288 PWs) bands (ev):
-0.8333 -0.8333 -0.8326 -0.8326 -0.1009 -0.1009 -0.1002 -0.1002
6.3823 6.3823 6.4410 6.4410 6.9978 6.9978 7.1571 7.1571
9.1156 9.1156 9.5323 9.5323 10.5768 10.5768 10.8161 10.8161
11.7170 11.7170 11.9780 11.9780 13.2753 13.2753 13.5265 13.5265
20.4102 20.4102 20.4122 20.4122 22.9872 22.9872 22.9956 22.9956
24.1139 24.1139 24.1565 24.1565
k = 0.4000 0.4619 0.1540 ( 6292 PWs) bands (ev):
-0.7988 -0.7988 -0.7981 -0.7981 -0.0963 -0.0963 -0.0955 -0.0955
6.4221 6.4221 6.4873 6.4873 7.0282 7.0282 7.2054 7.2054
8.9910 8.9910 9.4186 9.4186 10.4201 10.4201 10.6672 10.6672
11.7519 11.7519 12.0112 12.0112 13.2448 13.2448 13.4937 13.4937
20.3412 20.3412 20.3425 20.3425 23.2553 23.2553 23.2720 23.2720
24.1251 24.1251 24.1741 24.1741
k = 0.3952 0.4701 0.1540 ( 6276 PWs) bands (ev):
-0.7633 -0.7633 -0.7625 -0.7625 -0.0929 -0.0929 -0.0920 -0.0920
6.4623 6.4623 6.5348 6.5348 7.0578 7.0578 7.2548 7.2548
8.8707 8.8707 9.3118 9.3118 10.2630 10.2630 10.5170 10.5170
11.7914 11.7914 12.0481 12.0481 13.2134 13.2134 13.4599 13.4599
20.2706 20.2706 20.2750 20.2750 23.5113 23.5113 23.5418 23.5418
24.1500 24.1500 24.2103 24.2103
k = 0.3905 0.4784 0.1540 ( 6272 PWs) bands (ev):
-0.7268 -0.7268 -0.7260 -0.7260 -0.0909 -0.0909 -0.0899 -0.0899
6.5024 6.5024 6.5830 6.5830 7.0862 7.0862 7.3047 7.3047
8.7558 8.7558 9.2132 9.2132 10.1063 10.1063 10.3671 10.3671
11.8344 11.8344 12.0882 12.0882 13.1806 13.1806 13.4247 13.4247
20.2013 20.2013 20.2088 20.2088 23.7382 23.7382 23.7897 23.7897
24.2010 24.2010 24.2791 24.2791
k = 0.3857 0.4866 0.1540 ( 6272 PWs) bands (ev):
-0.6896 -0.6896 -0.6887 -0.6887 -0.0907 -0.0907 -0.0896 -0.0896
6.5419 6.5419 6.6317 6.6317 7.1129 7.1129 7.3546 7.3546
8.6481 8.6481 9.1241 9.1241 9.9508 9.9508 10.2188 10.2188
11.8806 11.8806 12.1315 12.1315 13.1460 13.1460 13.3879 13.3879
20.1344 20.1344 20.1446 20.1446 23.9094 23.9094 23.9758 23.9758
24.3139 24.3139 24.4028 24.4028
k = 0.3810 0.4949 0.1540 ( 6274 PWs) bands (ev):
-0.6518 -0.6518 -0.6508 -0.6508 -0.0923 -0.0923 -0.0910 -0.0910
6.5801 6.5801 6.6802 6.6802 7.1378 7.1378 7.4037 7.4037
8.5491 8.5491 9.0456 9.0456 9.7972 9.7972 10.0731 10.0731
11.9293 11.9293 12.1775 12.1775 13.1094 13.1094 13.3492 13.3492
20.0707 20.0707 20.0834 20.0834 24.0164 24.0164 24.0752 24.0752
24.5070 24.5070 24.5821 24.5821
k = 0.3762 0.5031 0.1540 ( 6278 PWs) bands (ev):
-0.6134 -0.6134 -0.6124 -0.6124 -0.0960 -0.0960 -0.0946 -0.0946
6.6163 6.6163 6.7279 6.7279 7.1605 7.1605 7.4510 7.4510
8.4608 8.4608 8.9788 8.9788 9.6464 9.6464 9.9313 9.9313
11.9804 11.9804 12.2261 12.2261 13.0706 13.0706 13.3083 13.3083
20.0109 20.0109 20.0259 20.0259 24.0840 24.0840 24.1315 24.1315
24.7237 24.7237 24.7785 24.7785
k = 0.3714 0.5114 0.1540 ( 6274 PWs) bands (ev):
-0.5747 -0.5747 -0.5736 -0.5736 -0.1021 -0.1021 -0.1006 -0.1006
6.6497 6.6497 6.7741 6.7741 7.1810 7.1810 7.4952 7.4952
8.3854 8.3854 8.9246 8.9246 9.4994 9.4994 9.7944 9.7944
12.0335 12.0335 12.2771 12.2771 13.0293 13.0293 13.2652 13.2652
19.9557 19.9557 19.9728 19.9728 24.1345 24.1345 24.1752 24.1752
24.9111 24.9111 24.9496 24.9496
k = 0.3667 0.5196 0.1540 ( 6282 PWs) bands (ev):
-0.5359 -0.5359 -0.5346 -0.5346 -0.1107 -0.1107 -0.1090 -0.1090
6.6795 6.6795 6.8176 6.8176 7.1994 7.1994 7.5347 7.5347
8.3252 8.3252 8.8834 8.8834 9.3573 9.3573 9.6635 9.6635
12.0883 12.0883 12.3301 12.3301 12.9856 12.9856 13.2197 13.2197
19.9057 19.9057 19.9246 19.9246 24.1775 24.1775 24.2150 24.2150
25.0398 25.0398 25.0706 25.0706
k = 0.3619 0.5279 0.1540 ( 6286 PWs) bands (ev):
-0.4971 -0.4971 -0.4957 -0.4957 -0.1221 -0.1221 -0.1202 -0.1202
6.7049 6.7049 6.8573 6.8573 7.2160 7.2160 7.5683 7.5683
8.2822 8.2822 8.8553 8.8553 9.2213 9.2213 9.5402 9.5402
12.1443 12.1443 12.3848 12.3848 12.9395 12.9395 13.1718 13.1718
19.8614 19.8614 19.8818 19.8818 24.2167 24.2167 24.2533 24.2533
25.1144 25.1144 25.1451 25.1451
k = 0.3571 0.5361 0.1540 ( 6286 PWs) bands (ev):
-0.4587 -0.4587 -0.4570 -0.4570 -0.1363 -0.1363 -0.1342 -0.1342
6.7252 6.7252 6.8918 6.8918 7.2312 7.2312 7.5953 7.5953
8.2574 8.2574 8.8397 8.8397 9.0934 9.0934 9.4258 9.4258
12.2012 12.2012 12.4408 12.4408 12.8913 12.8913 13.1219 13.1219
19.8233 19.8233 19.8450 19.8450 24.2532 24.2532 24.2902 24.2902
25.1559 25.1559 25.1888 25.1888
k = 0.3524 0.5444 0.1540 ( 6274 PWs) bands (ev):
-0.4210 -0.4210 -0.4189 -0.4189 -0.1537 -0.1537 -0.1511 -0.1511
6.7403 6.7403 6.9199 6.9199 7.2450 7.2450 7.6163 7.6163
8.2497 8.2497 8.8356 8.8356 8.9762 8.9762 9.3225 9.3225
12.2582 12.2582 12.4974 12.4974 12.8416 12.8416 13.0704 13.0704
19.7917 19.7917 19.8144 19.8144 24.2866 24.2866 24.3250 24.3250
25.1783 25.1783 25.2137 25.2137
k = 0.3476 0.5526 0.1540 ( 6276 PWs) bands (ev):
-0.3845 -0.3845 -0.3818 -0.3818 -0.1739 -0.1739 -0.1707 -0.1707
6.7503 6.7503 6.9408 6.9408 7.2573 7.2573 7.6327 7.6327
8.2549 8.2549 8.8409 8.8409 8.8737 8.8737 9.2328 9.2328
12.3137 12.3137 12.5532 12.5532 12.7918 12.7918 13.0186 13.0186
19.7668 19.7668 19.7903 19.7903 24.3158 24.3158 24.3561 24.3561
25.1887 25.1887 25.2265 25.2265
k = 0.3429 0.5609 0.1540 ( 6276 PWs) bands (ev):
-0.3503 -0.3503 -0.3466 -0.3466 -0.1967 -0.1967 -0.1925 -0.1925
6.7560 6.7560 6.9543 6.9543 7.2673 7.2673 7.6460 7.6460
8.2664 8.2664 8.7920 8.7920 8.8523 8.8523 9.1608 9.1608
12.3648 12.3648 12.6055 12.6055 12.7446 12.7446 12.9692 12.9692
19.7489 19.7489 19.7729 19.7729 24.3394 24.3394 24.3817 24.3817
25.1917 25.1917 25.2316 25.2316
k = 0.3381 0.5691 0.1540 ( 6270 PWs) bands (ev):
-0.3214 -0.3214 -0.3157 -0.3157 -0.2199 -0.2199 -0.2136 -0.2136
6.7584 6.7584 6.9612 6.9612 7.2741 7.2741 7.6559 7.6559
8.2762 8.2762 8.7388 8.7388 8.8639 8.8639 9.1127 9.1127
12.4050 12.4050 12.6476 12.6476 12.7069 12.7069 12.9288 12.9288
19.7381 19.7381 19.7625 19.7625 24.3551 24.3551 24.3990 24.3990
25.1908 25.1908 25.2323 25.2323
k = 0.3333 0.5774 0.1540 ( 6258 PWs) bands (ev):
-0.3079 -0.3079 -0.3001 -0.3001 -0.2328 -0.2328 -0.2244 -0.2244
6.7589 6.7589 6.9630 6.9630 7.2766 7.2766 7.6602 7.6602
8.2793 8.2793 8.7208 8.7208 8.8686 8.8686 9.0958 9.0958
12.4216 12.4216 12.6654 12.6654 12.6911 12.6911 12.9116 12.9116
19.7346 19.7346 19.7590 19.7590 24.3608 24.3608 24.4054 24.4054
25.1898 25.1898 25.2319 25.2319
k = 0.3333 0.5774 0.1540 ( 6258 PWs) bands (ev):
-0.3079 -0.3079 -0.3001 -0.3001 -0.2328 -0.2328 -0.2244 -0.2244
6.7589 6.7589 6.9630 6.9630 7.2766 7.2766 7.6602 7.6602
8.2793 8.2793 8.7208 8.7208 8.8686 8.8686 9.0958 9.0958
12.4216 12.4216 12.6654 12.6654 12.6911 12.6911 12.9116 12.9116
19.7346 19.7346 19.7590 19.7590 24.3608 24.3608 24.4054 24.4054
25.1898 25.1898 25.2319 25.2319
k = 0.3286 0.5691 0.1540 ( 6262 PWs) bands (ev):
-0.3223 -0.3223 -0.3167 -0.3167 -0.2190 -0.2190 -0.2128 -0.2128
6.7588 6.7588 6.9619 6.9619 7.2738 7.2738 7.6544 7.6544
8.2789 8.2789 8.7371 8.7371 8.8654 8.8654 9.1111 9.1111
12.4042 12.4042 12.6466 12.6466 12.7078 12.7078 12.9298 12.9298
19.7382 19.7382 19.7625 19.7625 24.3545 24.3545 24.3983 24.3983
25.1918 25.1918 25.2331 25.2331
k = 0.3238 0.5609 0.1540 ( 6274 PWs) bands (ev):
-0.3550 -0.3550 -0.3516 -0.3516 -0.1926 -0.1926 -0.1885 -0.1885
6.7595 6.7595 6.9599 6.9599 7.2653 7.2653 7.6350 7.6350
8.2848 8.2848 8.7799 8.7799 8.8619 8.8619 9.1507 9.1507
12.3594 12.3594 12.5999 12.5999 12.7503 12.7503 12.9751 12.9751
19.7489 19.7489 19.7730 19.7730 24.3349 24.3349 24.3761 24.3761
25.1993 25.1993 25.2381 25.2381
k = 0.3190 0.5526 0.1540 ( 6274 PWs) bands (ev):
-0.3964 -0.3964 -0.3940 -0.3940 -0.1646 -0.1646 -0.1616 -0.1616
6.7619 6.7619 6.9591 6.9591 7.2512 7.2512 7.6010 7.6010
8.3046 8.3046 8.8409 8.8409 8.8659 8.8659 9.2057 9.2057
12.2996 12.2996 12.5388 12.5388 12.8068 12.8068 13.0340 13.0340
19.7669 19.7669 19.7904 19.7904 24.3016 24.3016 24.3387 24.3387
25.2131 25.2131 25.2475 25.2475
k = 0.3143 0.5444 0.1540 ( 6274 PWs) bands (ev):
-0.4434 -0.4434 -0.4416 -0.4416 -0.1376 -0.1376 -0.1353 -0.1353
6.7670 6.7670 6.9608 6.9608 7.2322 7.2322 7.5551 7.5551
8.3403 8.3403 8.8810 8.8810 8.9140 8.9140 9.2712 9.2712
12.2317 12.2317 12.4705 12.4705 12.8702 12.8702 13.0996 13.0996
19.7918 19.7918 19.8148 19.8148 24.2557 24.2557 24.2876 24.2876
25.2321 25.2321 25.2609 25.2609
k = 0.3095 0.5361 0.1540 ( 6282 PWs) bands (ev):
-0.4951 -0.4951 -0.4937 -0.4937 -0.1127 -0.1127 -0.1108 -0.1108
6.7752 6.7752 6.9665 6.9665 7.2100 7.2100 7.5018 7.5018
8.3900 8.3900 8.9082 8.9082 8.9956 8.9956 9.3442 9.3442
12.1591 12.1591 12.3983 12.3983 12.9376 12.9376 13.1688 13.1688
19.8236 19.8236 19.8459 19.8459 24.1988 24.1988 24.2248 24.2248
25.2541 25.2541 25.2763 25.2763
k = 0.3048 0.5279 0.1540 ( 6294 PWs) bands (ev):
-0.5511 -0.5511 -0.5499 -0.5499 -0.0901 -0.0901 -0.0885 -0.0885
6.7868 6.7868 6.9767 6.9767 7.1863 7.1863 7.4454 7.4454
8.4507 8.4507 8.9471 8.9471 9.0833 9.0833 9.4231 9.4231
12.0836 12.0836 12.3237 12.3237 13.0073 13.0073 13.2404 13.2404
19.8622 19.8622 19.8835 19.8835 24.1329 24.1329 24.1531 24.1531
25.2759 25.2759 25.2909 25.2909
k = 0.3000 0.5196 0.1540 ( 6294 PWs) bands (ev):
-0.6111 -0.6111 -0.6100 -0.6100 -0.0704 -0.0704 -0.0690 -0.0690
6.8014 6.8014 6.9921 6.9921 7.1636 7.1636 7.3896 7.3896
8.5197 8.5197 8.9964 8.9964 9.1760 9.1760 9.5068 9.5068
12.0065 12.0065 12.2480 12.2480 13.0786 13.0786 13.3135 13.3135
19.9073 19.9073 19.9277 19.9277 24.0603 24.0603 24.0748 24.0748
25.2938 25.2938 25.3014 25.3014
k = 0.2952 0.5114 0.1540 ( 6298 PWs) bands (ev):
-0.6748 -0.6748 -0.6738 -0.6738 -0.0538 -0.0538 -0.0525 -0.0525
6.8181 6.8181 7.0125 7.0125 7.1447 7.1447 7.3373 7.3373
8.5948 8.5948 9.0549 9.0549 9.2725 9.2725 9.5944 9.5944
11.9285 11.9285 12.1718 12.1718 13.1509 13.1509 13.3877 13.3877
19.9589 19.9589 19.9781 19.9781 23.9828 23.9828 23.9921 23.9921
25.3040 25.3040 25.3044 25.3044
k = 0.2905 0.5031 0.1540 ( 6298 PWs) bands (ev):
-0.7420 -0.7420 -0.7411 -0.7411 -0.0405 -0.0405 -0.0394 -0.0394
6.8356 6.8356 7.0374 7.0374 7.1328 7.1328 7.2912 7.2912
8.6743 8.6743 9.1213 9.1213 9.3724 9.3724 9.6852 9.6852
11.8507 11.8507 12.0961 12.0961 13.2238 13.2238 13.4627 13.4627
20.0166 20.0166 20.0346 20.0346 23.9023 23.9023 23.9067 23.9067
25.2962 25.2962 25.3023 25.3023
k = 0.2857 0.4949 0.1540 ( 6310 PWs) bands (ev):
-0.8125 -0.8125 -0.8117 -0.8117 -0.0308 -0.0308 -0.0298 -0.0298
6.8518 6.8518 7.0643 7.0643 7.1313 7.1313 7.2550 7.2550
8.7570 8.7570 9.1943 9.1943 9.4750 9.4750 9.7786 9.7786
11.7739 11.7739 12.0215 12.0215 13.2972 13.2972 13.5381 13.5381
20.0802 20.0802 20.0969 20.0969 23.8200 23.8200 23.8200 23.8200
25.2738 25.2738 25.2848 25.2848
k = 0.2810 0.4866 0.1540 ( 6316 PWs) bands (ev):
-0.8860 -0.8860 -0.8853 -0.8853 -0.0249 -0.0249 -0.0240 -0.0240
6.8646 6.8646 7.0870 7.0870 7.1433 7.1433 7.2359 7.2359
8.8416 8.8416 9.2727 9.2727 9.5800 9.5800 9.8738 9.8738
11.6990 11.6990 11.9490 11.9490 13.3707 13.3707 13.6139 13.6139
20.1495 20.1495 20.1649 20.1649 23.7332 23.7332 23.7372 23.7372
25.2354 25.2354 25.2491 25.2491
k = 0.2762 0.4784 0.1540 ( 6310 PWs) bands (ev):
-0.9624 -0.9624 -0.9617 -0.9617 -0.0228 -0.0228 -0.0220 -0.0220
6.8737 6.8737 7.0957 7.0957 7.1702 7.1702 7.2443 7.2443
8.9273 8.9273 9.3552 9.3552 9.6871 9.6871 9.9701 9.9701
11.6273 11.6273 11.8793 11.8793 13.4441 13.4441 13.6896 13.6896
20.2244 20.2244 20.2383 20.2383 23.6472 23.6472 23.6548 23.6548
25.1809 25.1809 25.1945 25.1945
k = 0.2714 0.4701 0.1540 ( 6308 PWs) bands (ev):
-1.0413 -1.0413 -1.0407 -1.0407 -0.0247 -0.0247 -0.0241 -0.0241
6.8803 6.8803 7.0905 7.0905 7.2111 7.2111 7.2804 7.2804
9.0130 9.0130 9.4407 9.4407 9.7958 9.7958 10.0667 10.0667
11.5603 11.5603 11.8134 11.8134 13.5173 13.5173 13.7653 13.7653
20.3045 20.3045 20.3168 20.3168 23.5629 23.5629 23.5736 23.5736
25.1116 25.1116 25.1226 25.1226
k = 0.2667 0.4619 0.1540 ( 6320 PWs) bands (ev):
-1.1226 -1.1226 -1.1219 -1.1219 -0.0307 -0.0307 -0.0302 -0.0302
6.8868 6.8868 7.0815 7.0815 7.2643 7.2643 7.3342 7.3342
9.0978 9.0978 9.5280 9.5280 9.9061 9.9061 10.1625 10.1625
11.4998 11.4998 11.7525 11.7525 13.5900 13.5900 13.8405 13.8405
20.3897 20.3897 20.4003 20.4003 23.4807 23.4807 23.4942 23.4942
25.0299 25.0299 25.0369 25.0369
k = 0.2619 0.4536 0.1540 ( 6312 PWs) bands (ev):
-1.2059 -1.2059 -1.2052 -1.2052 -0.0409 -0.0409 -0.0404 -0.0404
6.8953 6.8953 7.0753 7.0753 7.3279 7.3279 7.3992 7.3992
9.1807 9.1807 9.6155 9.6155 10.0174 10.0174 10.2562 10.2562
11.4483 11.4483 11.6977 11.6977 13.6621 13.6621 13.9153 13.9153
20.4797 20.4797 20.4886 20.4886 23.4014 23.4014 23.4173 23.4173
24.9390 24.9390 24.9412 24.9412
k = 0.2571 0.4454 0.1540 ( 6312 PWs) bands (ev):
-1.2909 -1.2909 -1.2903 -1.2903 -0.0551 -0.0551 -0.0547 -0.0547
6.9072 6.9072 7.0744 7.0744 7.4003 7.4003 7.4728 7.4728
9.2605 9.2605 9.7015 9.7015 10.1296 10.1296 10.3464 10.3464
11.4086 11.4086 11.6504 11.6504 13.7333 13.7333 13.9893 13.9893
20.5742 20.5742 20.5812 20.5812 23.3253 23.3253 23.3432 23.3432
24.8392 24.8392 24.8418 24.8418
k = 0.2524 0.4371 0.1540 ( 6316 PWs) bands (ev):
-1.3776 -1.3776 -1.3769 -1.3769 -0.0734 -0.0734 -0.0731 -0.0731
6.9236 6.9236 7.0796 7.0796 7.4806 7.4806 7.5537 7.5537
9.3361 9.3361 9.7836 9.7836 10.2424 10.2424 10.4317 10.4317
11.3845 11.3845 11.6122 11.6122 13.8036 13.8036 14.0624 14.0624
20.6729 20.6729 20.6780 20.6780 23.2527 23.2527 23.2724 23.2724
24.7336 24.7336 24.7407 24.7407
k = 0.2476 0.4289 0.1540 ( 6324 PWs) bands (ev):
-1.4655 -1.4655 -1.4649 -1.4649 -0.0957 -0.0957 -0.0955 -0.0955
6.9450 6.9450 7.0913 7.0913 7.5680 7.5680 7.6412 7.6412
9.4062 9.4062 9.8588 9.8588 10.3555 10.3555 10.5115 10.5115
11.3794 11.3794 11.5847 11.5847 13.8728 13.8728 14.1345 14.1345
20.7757 20.7757 20.7787 20.7787 23.1841 23.1841 23.2051 23.2051
24.6266 24.6266 24.6379 24.6379
k = 0.2429 0.4206 0.1540 ( 6316 PWs) bands (ev):
-1.5544 -1.5544 -1.5539 -1.5539 -0.1219 -0.1219 -0.1217 -0.1217
6.9716 6.9716 7.1095 7.1095 7.6619 7.6619 7.7349 7.7349
9.4697 9.4697 9.9235 9.9235 10.4686 10.4686 10.5864 10.5864
11.3963 11.3963 11.5694 11.5694 13.9406 13.9406 14.2053 14.2053
20.8822 20.8822 20.8829 20.8829 23.1197 23.1197 23.1416 23.1416
24.5198 24.5198 24.5351 24.5351
k = 0.2381 0.4124 0.1540 ( 6320 PWs) bands (ev):
-1.6442 -1.6442 -1.6437 -1.6437 -0.1517 -0.1517 -0.1517 -0.1517
7.0034 7.0034 7.1338 7.1338 7.7619 7.7619 7.8345 7.8345
9.5254 9.5254 9.9741 9.9741 10.5815 10.5815 10.6594 10.6594
11.4358 11.4358 11.5678 11.5678 14.0070 14.0070 14.2748 14.2748
20.9903 20.9903 20.9921 20.9921 23.0596 23.0596 23.0822 23.0822
24.4146 24.4146 24.4336 24.4336
k = 0.2333 0.4041 0.1540 ( 6296 PWs) bands (ev):
-1.7346 -1.7346 -1.7341 -1.7341 -0.1851 -0.1851 -0.1851 -0.1851
7.0401 7.0401 7.1639 7.1639 7.8677 7.8677 7.9396 7.9396
9.5726 9.5726 10.0080 10.0080 10.6941 10.6941 10.7349 10.7349
11.4966 11.4966 11.5811 11.5811 14.0718 14.0718 14.3427 14.3427
21.1006 21.1006 21.1052 21.1052 23.0040 23.0040 23.0268 23.0268
24.3119 24.3119 24.3347 24.3347
k = 0.2286 0.3959 0.1540 ( 6296 PWs) bands (ev):
-1.8254 -1.8254 -1.8249 -1.8249 -0.2219 -0.2219 -0.2218 -0.2218
7.0814 7.0814 7.1991 7.1991 7.9789 7.9789 8.0499 8.0499
9.6111 9.6111 10.0246 10.0246 10.8062 10.8062 10.8166 10.8166
11.5751 11.5751 11.6099 11.6099 14.1348 14.1348 14.4089 14.4089
21.2133 21.2133 21.2208 21.2208 22.9531 22.9531 22.9757 22.9757
24.2126 24.2126 24.2392 24.2392
k = 0.2238 0.3876 0.1540 ( 6304 PWs) bands (ev):
-1.9164 -1.9164 -1.9159 -1.9159 -0.2618 -0.2618 -0.2617 -0.2617
7.1268 7.1268 7.2389 7.2389 8.0952 8.0952 8.1653 8.1653
9.6411 9.6411 10.0262 10.0262 10.9065 10.9065 10.9182 10.9182
11.6540 11.6540 11.6676 11.6676 14.1960 14.1960 14.4732 14.4732
21.3279 21.3279 21.3386 21.3386 22.9067 22.9067 22.9288 22.9288
24.1176 24.1176 24.1483 24.1483
k = 0.2190 0.3794 0.1540 ( 6304 PWs) bands (ev):
-2.0074 -2.0074 -2.0069 -2.0069 -0.3045 -0.3045 -0.3043 -0.3043
7.1755 7.1755 7.2825 7.2825 8.2164 8.2164 8.2853 8.2853
9.6637 9.6637 10.0165 10.0165 11.0046 11.0046 11.0301 11.0301
11.7128 11.7128 11.7707 11.7707 14.2551 14.2551 14.5357 14.5357
21.4436 21.4436 21.4581 21.4581 22.8651 22.8651 22.8862 22.8862
24.0279 24.0279 24.0628 24.0628
k = 0.2143 0.3712 0.1540 ( 6298 PWs) bands (ev):
-2.0982 -2.0982 -2.0977 -2.0977 -0.3498 -0.3498 -0.3496 -0.3496
7.2269 7.2269 7.3288 7.3288 8.3423 8.3423 8.4099 8.4099
9.6803 9.6803 9.9996 9.9996 11.1098 11.1098 11.1423 11.1423
11.7848 11.7848 11.8818 11.8818 14.3123 14.3123 14.5961 14.5961
21.5599 21.5599 21.5786 21.5786 22.8281 22.8281 22.8477 22.8477
23.9442 23.9442 23.9839 23.9839
k = 0.2095 0.3629 0.1540 ( 6306 PWs) bands (ev):
-2.1886 -2.1886 -2.1881 -2.1881 -0.3975 -0.3975 -0.3972 -0.3972
7.2799 7.2799 7.3770 7.3770 8.4725 8.4725 8.5386 8.5386
9.6931 9.6931 9.9795 9.9795 11.2207 11.2207 11.2552 11.2552
11.8684 11.8684 11.9988 11.9988 14.3672 14.3672 14.6543 14.6543
21.6757 21.6757 21.6992 21.6992 22.7955 22.7955 22.8133 22.8133
23.8676 23.8676 23.9126 23.9126
k = 0.2048 0.3547 0.1540 ( 6302 PWs) bands (ev):
-2.2785 -2.2785 -2.2781 -2.2781 -0.4472 -0.4472 -0.4470 -0.4470
7.3336 7.3336 7.4257 7.4257 8.6069 8.6069 8.6713 8.6713
9.7043 9.7043 9.9593 9.9593 11.3361 11.3361 11.3690 11.3690
11.9616 11.9616 12.1203 12.1203 14.4201 14.4201 14.7104 14.7104
21.7898 21.7898 21.8189 21.8189 22.7673 22.7673 22.7830 22.7830
23.7995 23.7995 23.8502 23.8502
k = 0.2000 0.3464 0.1540 ( 6302 PWs) bands (ev):
-2.3678 -2.3678 -2.3674 -2.3674 -0.4988 -0.4988 -0.4985 -0.4985
7.3868 7.3868 7.4738 7.4738 8.7453 8.7453 8.8075 8.8075
9.7165 9.7165 9.9420 9.9420 11.4549 11.4549 11.4840 11.4840
12.0626 12.0626 12.2451 12.2451 14.4707 14.4707 14.7643 14.7643
21.9008 21.9008 21.9361 21.9361 22.7432 22.7432 22.7566 22.7566
23.7412 23.7412 23.7982 23.7982
k = 0.1952 0.3382 0.1540 ( 6298 PWs) bands (ev):
-2.4562 -2.4562 -2.4558 -2.4558 -0.5519 -0.5519 -0.5516 -0.5516
7.4383 7.4383 7.5199 7.5199 8.8873 8.8873 8.9469 8.9469
9.7321 9.7321 9.9299 9.9299 11.5762 11.5762 11.6001 11.6001
12.1700 12.1700 12.3723 12.3723 14.5191 14.5191 14.8160 14.8160
22.0067 22.0067 22.0492 22.0492 22.7231 22.7231 22.7340 22.7340
23.6946 23.6946 23.7586 23.7586
k = 0.1905 0.3299 0.1540 ( 6302 PWs) bands (ev):
-2.5437 -2.5437 -2.5434 -2.5434 -0.6063 -0.6063 -0.6060 -0.6060
7.4866 7.4866 7.5627 7.5627 9.0327 9.0327 9.0890 9.0890
9.7539 9.7539 9.9253 9.9253 11.6994 11.6994 11.7173 11.7173
12.2822 12.2822 12.5014 12.5014 14.5653 14.5653 14.8655 14.8655
22.1051 22.1051 22.1556 22.1556 22.7070 22.7070 22.7155 22.7155
23.6620 23.6620 23.7332 23.7332
k = 0.1857 0.3217 0.1540 ( 6298 PWs) bands (ev):
-2.6302 -2.6302 -2.6298 -2.6298 -0.6618 -0.6618 -0.6615 -0.6615
7.5306 7.5306 7.6007 7.6007 9.1814 9.1814 9.2330 9.2330
9.7841 9.7841 9.9299 9.9299 11.8238 11.8238 11.8354 11.8354
12.3980 12.3980 12.6317 12.6317 14.6094 14.6094 14.9129 14.9129
22.1933 22.1933 22.2523 22.2523 22.6950 22.6950 22.7012 22.7012
23.6459 23.6459 23.7243 23.7243
k = 0.1810 0.3134 0.1540 ( 6298 PWs) bands (ev):
-2.7154 -2.7154 -2.7151 -2.7151 -0.7181 -0.7181 -0.7178 -0.7178
7.5691 7.5691 7.6329 7.6329 9.3329 9.3329 9.3781 9.3781
9.8255 9.8255 9.9454 9.9454 11.9491 11.9491 11.9542 11.9542
12.5166 12.5166 12.7628 12.7628 14.6516 14.6516 14.9582 14.9582
22.2684 22.2684 22.3358 22.3358 22.6876 22.6876 22.6918 22.6918
23.6489 23.6489 23.7340 23.7340
k = 0.1762 0.3052 0.1540 ( 6294 PWs) bands (ev):
-2.7994 -2.7994 -2.7991 -2.7991 -0.7750 -0.7750 -0.7747 -0.7747
7.6009 7.6009 7.6584 7.6584 9.4868 9.4868 9.5225 9.5225
9.8809 9.8809 9.9733 9.9733 12.0733 12.0733 12.0746 12.0746
12.6371 12.6371 12.8941 12.8941 14.6919 14.6919 15.0017 15.0017
22.3280 22.3280 22.4024 22.4024 22.6859 22.6859 22.6877 22.6877
23.6732 23.6732 23.7637 23.7637
k = 0.1714 0.2969 0.1540 ( 6278 PWs) bands (ev):
-2.8820 -2.8820 -2.8817 -2.8817 -0.8323 -0.8323 -0.8320 -0.8320
7.6254 7.6254 7.6764 7.6764 9.6428 9.6428 9.6638 9.6638
9.9533 9.9533 10.0146 10.0146 12.1925 12.1925 12.2001 12.2001
12.7588 12.7588 13.0254 13.0254 14.7305 14.7305 15.0434 15.0434
22.3709 22.3709 22.4497 22.4497 22.6892 22.6892 22.6909 22.6909
23.7200 23.7200 23.8140 23.8140
k = 0.1667 0.2887 0.1540 ( 6272 PWs) bands (ev):
-2.9631 -2.9631 -2.9629 -2.9629 -0.8898 -0.8898 -0.8895 -0.8895
7.6421 7.6421 7.6867 7.6867 9.7989 9.7989 9.7997 9.7997
10.0462 10.0462 10.0705 10.0705 12.3113 12.3113 12.3251 12.3251
12.8812 12.8812 13.1562 13.1562 14.7677 14.7677 15.0835 15.0835
22.3984 22.3984 22.4782 22.4782 22.6955 22.6955 22.7021 22.7021
23.7883 23.7883 23.8840 23.8840
k = 0.1619 0.2804 0.1540 ( 6276 PWs) bands (ev):
-3.0427 -3.0427 -3.0424 -3.0424 -0.9473 -0.9473 -0.9469 -0.9469
7.6510 7.6510 7.6895 7.6895 9.9258 9.9258 9.9557 9.9557
10.1428 10.1428 10.1613 10.1613 12.4295 12.4295 12.4493 12.4493
13.0038 13.0038 13.2861 13.2861 14.8037 14.8037 15.1222 15.1222
22.4138 22.4138 22.4919 22.4919 22.7047 22.7047 22.7172 22.7172
23.8754 23.8754 23.9711 23.9711
k = 0.1571 0.2722 0.1540 ( 6280 PWs) bands (ev):
-3.1206 -3.1206 -3.1203 -3.1203 -1.0045 -1.0045 -1.0042 -1.0042
7.6523 7.6523 7.6851 7.6851 10.0470 10.0470 10.1061 10.1061
10.2355 10.2355 10.2956 10.2956 12.5467 12.5467 12.5724 12.5724
13.1260 13.1260 13.4147 13.4147 14.8389 14.8389 15.1598 15.1598
22.4212 22.4212 22.4966 22.4966 22.7152 22.7152 22.7332 22.7332
23.9757 23.9757 24.0681 24.0681
k = 0.1524 0.2639 0.1540 ( 6276 PWs) bands (ev):
-3.1967 -3.1967 -3.1965 -3.1965 -1.0615 -1.0615 -1.0612 -1.0612
7.6465 7.6465 7.6742 7.6742 10.1674 10.1674 10.2424 10.2424
10.3563 10.3563 10.4434 10.4434 12.6625 12.6625 12.6939 12.6939
13.2475 13.2475 13.5416 13.5416 14.8735 14.8735 15.1965 15.1965
22.4244 22.4244 22.4969 22.4969 22.7260 22.7260 22.7488 22.7488
24.0637 24.0637 24.1269 24.1269
k = 0.1476 0.2557 0.1540 ( 6268 PWs) bands (ev):
-3.2711 -3.2711 -3.2709 -3.2709 -1.1179 -1.1179 -1.1176 -1.1176
7.6344 7.6344 7.6575 7.6575 10.2910 10.2910 10.3655 10.3655
10.5031 10.5031 10.5994 10.5994 12.7765 12.7765 12.8136 12.8136
13.3681 13.3681 13.6664 13.6664 14.9081 14.9081 15.2326 15.2326
22.4262 22.4262 22.4960 22.4960 22.7368 22.7368 22.7638 22.7638
24.0937 24.0937 24.1420 24.1420
k = 0.1429 0.2474 0.1540 ( 6268 PWs) bands (ev):
-3.3436 -3.3436 -3.3435 -3.3435 -1.1736 -1.1736 -1.1733 -1.1733
7.6167 7.6167 7.6359 7.6359 10.4198 10.4198 10.4872 10.4872
10.6628 10.6628 10.7604 10.7604 12.8885 12.8885 12.9311 12.9311
13.4873 13.4873 13.7887 13.7887 14.9432 14.9432 15.2685 15.2685
22.4286 22.4286 22.4960 22.4960 22.7477 22.7477 22.7783 22.7783
24.1108 24.1108 24.1559 24.1559
k = 0.1381 0.2392 0.1540 ( 6260 PWs) bands (ev):
-3.4142 -3.4142 -3.4141 -3.4141 -1.2285 -1.2285 -1.2283 -1.2283
7.5943 7.5943 7.6101 7.6101 10.5546 10.5546 10.6138 10.6138
10.8276 10.8276 10.9245 10.9245 12.9981 12.9981 13.0461 13.0461
13.6049 13.6049 13.9079 13.9079 14.9791 14.9791 15.3043 15.3043
22.4333 22.4333 22.4984 22.4984 22.7595 22.7595 22.7932 22.7932
24.1293 24.1293 24.1724 24.1724
k = 0.1333 0.2309 0.1540 ( 6260 PWs) bands (ev):
-3.4829 -3.4829 -3.4827 -3.4827 -1.2825 -1.2825 -1.2823 -1.2823
7.5680 7.5680 7.5810 7.5810 10.6952 10.6952 10.7468 10.7468
10.9947 10.9947 11.0903 11.0903 13.1050 13.1050 13.1582 13.1582
13.7206 13.7206 14.0236 14.0236 15.0166 15.0166 15.3404 15.3404
22.4413 22.4413 22.5044 22.5044 22.7726 22.7726 22.8089 22.8089
24.1500 24.1500 24.1910 24.1910
k = 0.1286 0.2227 0.1540 ( 6256 PWs) bands (ev):
-3.5495 -3.5495 -3.5493 -3.5493 -1.3354 -1.3354 -1.3352 -1.3352
7.5386 7.5386 7.5492 7.5492 10.8412 10.8412 10.8862 10.8862
11.1626 11.1626 11.2569 11.2569 13.2089 13.2089 13.2672 13.2672
13.8344 13.8344 14.1354 14.1354 15.0562 15.0562 15.3771 15.3771
22.4536 22.4536 22.5147 22.5147 22.7875 22.7875 22.8260 22.8260
24.1720 24.1720 24.2104 24.2104
k = 0.1238 0.2144 0.1540 ( 6244 PWs) bands (ev):
-3.6140 -3.6140 -3.6139 -3.6139 -1.3872 -1.3872 -1.3870 -1.3870
7.5069 7.5069 7.5155 7.5155 10.9922 10.9922 11.0315 11.0315
11.3304 11.3304 11.4234 11.4234 13.3097 13.3097 13.3727 13.3727
13.9459 13.9459 14.2427 14.2427 15.0985 15.0985 15.4145 15.4145
22.4707 22.4707 22.5300 22.5300 22.8048 22.8048 22.8450 22.8450
24.1941 24.1941 24.2296 24.2296
k = 0.1190 0.2062 0.1540 ( 6244 PWs) bands (ev):
-3.6764 -3.6764 -3.6763 -3.6763 -1.4377 -1.4377 -1.4375 -1.4375
7.4734 7.4734 7.4804 7.4804 11.1475 11.1475 11.1818 11.1818
11.4975 11.4975 11.5892 11.5892 13.4072 13.4072 13.4745 13.4745
14.0551 14.0551 14.3453 14.3453 15.1440 15.1440 15.4530 15.4530
22.4932 22.4932 22.5509 22.5509 22.8246 22.8246 22.8663 22.8663
24.2150 24.2150 24.2473 24.2473
k = 0.1143 0.1979 0.1540 ( 6248 PWs) bands (ev):
-3.7366 -3.7366 -3.7365 -3.7365 -1.4868 -1.4868 -1.4867 -1.4867
7.4386 7.4386 7.4443 7.4443 11.3063 11.3063 11.3365 11.3365
11.6631 11.6631 11.7534 11.7534 13.5013 13.5013 13.5725 13.5725
14.1618 14.1618 14.4428 14.4428 15.1932 15.1932 15.4926 15.4926
22.5216 22.5216 22.5777 22.5777 22.8474 22.8474 22.8900 22.8900
24.2336 24.2336 24.2624 24.2624
k = 0.1095 0.1897 0.1540 ( 6240 PWs) bands (ev):
-3.7946 -3.7946 -3.7945 -3.7945 -1.5345 -1.5345 -1.5344 -1.5344
7.4032 7.4032 7.4078 7.4078 11.4680 11.4680 11.4948 11.4948
11.8264 11.8264 11.9154 11.9154 13.5922 13.5922 13.6666 13.6666
14.2662 14.2662 14.5351 14.5351 15.2464 15.2464 15.5336 15.5336
22.5562 22.5562 22.6108 22.6108 22.8733 22.8733 22.9163 22.9163
24.2490 24.2490 24.2743 24.2743
k = 0.1048 0.1815 0.1540 ( 6250 PWs) bands (ev):
-3.8504 -3.8504 -3.8503 -3.8503 -1.5806 -1.5806 -1.5805 -1.5805
7.3674 7.3674 7.3711 7.3711 11.6319 11.6319 11.6558 11.6558
11.9868 11.9868 12.0741 12.0741 13.6801 13.6801 13.7567 13.7567
14.3680 14.3680 14.6224 14.6224 15.3035 15.3035 15.5758 15.5758
22.5970 22.5970 22.6503 22.6503 22.9021 22.9021 22.9450 22.9450
24.2606 24.2606 24.2824 24.2824
k = 0.1000 0.1732 0.1540 ( 6254 PWs) bands (ev):
-3.9039 -3.9039 -3.9038 -3.9038 -1.6252 -1.6252 -1.6251 -1.6251
7.3317 7.3317 7.3347 7.3347 11.7972 11.7972 11.8188 11.8188
12.1435 12.1435 12.2289 12.2289 13.7652 13.7652 13.8430 13.8430
14.4673 14.4673 14.7050 14.7050 15.3643 15.3643 15.6194 15.6194
22.6443 22.6443 22.6964 22.6964 22.9337 22.9337 22.9758 22.9758
24.2683 24.2683 24.2865 24.2865
k = 0.0952 0.1650 0.1540 ( 6266 PWs) bands (ev):
-3.9551 -3.9551 -3.9550 -3.9550 -1.6680 -1.6680 -1.6679 -1.6679
7.2964 7.2964 7.2987 7.2987 11.9631 11.9631 11.9829 11.9829
12.2955 12.2955 12.3787 12.3787 13.8480 13.8480 13.9259 13.9259
14.5642 14.5642 14.7833 14.7833 15.4284 15.4284 15.6642 15.6642
22.6980 22.6980 22.7492 22.7492 22.9674 22.9674 23.0081 23.0081
24.2722 24.2722 24.2871 24.2871
k = 0.0905 0.1567 0.1540 ( 6262 PWs) bands (ev):
-4.0039 -4.0039 -4.0039 -4.0039 -1.7092 -1.7092 -1.7091 -1.7091
7.2616 7.2616 7.2635 7.2635 12.1289 12.1289 12.1474 12.1474
12.4420 12.4420 12.5224 12.5224 13.9292 13.9292 14.0058 14.0058
14.6586 14.6586 14.8580 14.8580 15.4951 15.4951 15.7101 15.7101
22.7580 22.7580 22.8084 22.8084 23.0028 23.0028 23.0411 23.0411
24.2731 24.2731 24.2849 24.2849
k = 0.0857 0.1485 0.1540 ( 6258 PWs) bands (ev):
-4.0504 -4.0504 -4.0504 -4.0504 -1.7485 -1.7485 -1.7484 -1.7484
7.2277 7.2277 7.2292 7.2292 12.2935 12.2935 12.3112 12.3112
12.5819 12.5819 12.6592 12.6592 14.0095 14.0095 14.0834 14.0834
14.7505 14.7505 14.9297 14.9297 15.5636 15.5636 15.7571 15.7571
22.8236 22.8236 22.8738 22.8738 23.0388 23.0388 23.0737 23.0737
24.2721 24.2721 24.2810 24.2810
k = 0.0810 0.1402 0.1540 ( 6262 PWs) bands (ev):
-4.0945 -4.0945 -4.0945 -4.0945 -1.7859 -1.7859 -1.7859 -1.7859
7.1949 7.1949 7.1960 7.1960 12.4561 12.4561 12.4735 12.4735
12.7143 12.7143 12.7881 12.7881 14.0896 14.0896 14.1594 14.1594
14.8399 14.8399 14.9988 14.9988 15.6332 15.6332 15.8048 15.8048
22.8934 22.8934 22.9443 22.9443 23.0747 23.0747 23.1046 23.1046
24.2708 24.2708 24.2771 24.2771
k = 0.0762 0.1320 0.1540 ( 6254 PWs) bands (ev):
-4.1362 -4.1362 -4.1362 -4.1362 -1.8215 -1.8215 -1.8214 -1.8214
7.1633 7.1633 7.1641 7.1641 12.6155 12.6155 12.6333 12.6333
12.8383 12.8383 12.9082 12.9082 14.1702 14.1702 14.2347 14.2347
14.9267 14.9267 15.0656 15.0656 15.7032 15.7032 15.8531 15.8531
22.9640 22.9640 23.0170 23.0170 23.1112 23.1112 23.1339 23.1339
24.2717 24.2717 24.2756 24.2756
k = 0.0714 0.1237 0.1540 ( 6246 PWs) bands (ev):
-4.1755 -4.1755 -4.1755 -4.1755 -1.8551 -1.8551 -1.8551 -1.8551
7.1330 7.1330 7.1337 7.1337 12.7703 12.7703 12.7892 12.7892
12.9532 12.9532 13.0192 13.0192 14.2521 14.2521 14.3101 14.3101
15.0106 15.0106 15.1304 15.1304 15.7731 15.7731 15.9020 15.9020
23.0262 23.0262 23.0808 23.0808 23.1544 23.1544 23.1698 23.1698
24.2774 24.2774 24.2791 24.2791
k = 0.0667 0.1155 0.1540 ( 6244 PWs) bands (ev):
-4.2123 -4.2123 -4.2123 -4.2123 -1.8867 -1.8867 -1.8867 -1.8867
7.1042 7.1042 7.1047 7.1047 12.9186 12.9186 12.9399 12.9399
13.0586 13.0586 13.1213 13.1213 14.3356 14.3356 14.3864 14.3864
15.0913 15.0913 15.1930 15.1930 15.8423 15.8423 15.9512 15.9512
23.0641 23.0641 23.1107 23.1107 23.2166 23.2166 23.2335 23.2335
24.2905 24.2905 24.2906 24.2906
k = 0.0619 0.1072 0.1540 ( 6244 PWs) bands (ev):
-4.2467 -4.2467 -4.2466 -4.2466 -1.9163 -1.9163 -1.9163 -1.9163
7.0770 7.0770 7.0774 7.0774 13.0576 13.0576 13.0825 13.0825
13.1558 13.1558 13.2161 13.2161 14.4210 14.4210 14.4642 14.4642
15.1685 15.1685 15.2531 15.2531 15.9105 15.9105 16.0007 16.0007
23.0727 23.0727 23.1086 23.1086 23.2992 23.2992 23.3201 23.3201
24.3125 24.3125 24.3138 24.3138
k = 0.0571 0.0990 0.1540 ( 6248 PWs) bands (ev):
-4.2785 -4.2785 -4.2785 -4.2785 -1.9438 -1.9438 -1.9438 -1.9438
7.0515 7.0515 7.0518 7.0518 13.1818 13.1818 13.2064 13.2064
13.2540 13.2540 13.3080 13.3080 14.5081 14.5081 14.5437 14.5437
15.2414 15.2414 15.3104 15.3104 15.9773 15.9773 16.0504 16.0504
23.0584 23.0584 23.0858 23.0858 23.3935 23.3935 23.4159 23.4159
24.3468 24.3468 24.3485 24.3485
k = 0.0524 0.0907 0.1540 ( 6242 PWs) bands (ev):
-4.3079 -4.3079 -4.3079 -4.3079 -1.9693 -1.9693 -1.9692 -1.9692
7.0278 7.0278 7.0280 7.0280 13.2830 13.2830 13.2938 13.2938
13.3703 13.3703 13.4045 13.4045 14.5966 14.5966 14.6249 14.6249
15.3094 15.3094 15.3642 15.3642 16.0426 16.0426 16.1002 16.1002
23.0256 23.0256 23.0464 23.0464 23.4939 23.4939 23.5162 23.5162
24.3940 24.3940 24.3949 24.3949
k = 0.0476 0.0825 0.1540 ( 6248 PWs) bands (ev):
-4.3347 -4.3347 -4.3347 -4.3347 -1.9926 -1.9926 -1.9926 -1.9926
7.0059 7.0059 7.0061 7.0061 13.3590 13.3590 13.3597 13.3597
13.4886 13.4886 13.5074 13.5074 14.6857 14.6857 14.7075 14.7075
15.3717 15.3717 15.4138 15.4138 16.1058 16.1058 16.1499 16.1499
22.9778 22.9778 22.9932 22.9932 23.5969 23.5969 23.6180 23.6180
24.4520 24.4520 24.4529 24.4529
k = 0.0429 0.0742 0.1540 ( 6248 PWs) bands (ev):
-4.3591 -4.3591 -4.3591 -4.3591 -2.0137 -2.0137 -2.0137 -2.0137
6.9860 6.9860 6.9861 6.9861 13.4141 13.4141 13.4168 13.4168
13.5990 13.5990 13.6098 13.6098 14.7746 14.7746 14.7907 14.7907
15.4274 15.4274 15.4587 15.4587 16.1667 16.1667 16.1991 16.1991
22.9185 22.9185 22.9296 22.9296 23.6998 23.6998 23.7191 23.7191
24.5176 24.5176 24.5215 24.5215
k = 0.0381 0.0660 0.1540 ( 6248 PWs) bands (ev):
-4.3809 -4.3809 -4.3809 -4.3809 -2.0327 -2.0327 -2.0327 -2.0327
6.9680 6.9680 6.9681 6.9681 13.4593 13.4593 13.4624 13.4624
13.6990 13.6990 13.7054 13.7054 14.8622 14.8622 14.8735 14.8735
15.4758 15.4758 15.4980 15.4980 16.2246 16.2246 16.2474 16.2474
22.8518 22.8518 22.8595 22.8595 23.7998 23.7998 23.8167 23.8167
24.5890 24.5890 24.5967 24.5967
k = 0.0333 0.0577 0.1540 ( 6248 PWs) bands (ev):
-4.4001 -4.4001 -4.4001 -4.4001 -2.0495 -2.0495 -2.0495 -2.0495
6.9521 6.9521 6.9521 6.9521 13.4966 13.4966 13.4992 13.4992
13.7877 13.7877 13.7915 13.7915 14.9471 14.9471 14.9547 14.9547
15.5162 15.5162 15.5312 15.5312 16.2788 16.2788 16.2941 16.2941
22.7816 22.7816 22.7867 22.7867 23.8934 23.8934 23.9073 23.9074
24.6634 24.6634 24.6752 24.6752
k = 0.0286 0.0495 0.1540 ( 6246 PWs) bands (ev):
-4.4168 -4.4168 -4.4168 -4.4168 -2.0641 -2.0641 -2.0641 -2.0641
6.9382 6.9382 6.9382 6.9382 13.5270 13.5270 13.5288 13.5288
13.8645 13.8645 13.8667 13.8667 15.0279 15.0279 15.0327 15.0327
15.5484 15.5484 15.5579 15.5579 16.3285 16.3285 16.3381 16.3381
22.7119 22.7119 22.7151 22.7151 23.9771 23.9771 23.9878 23.9878
24.7378 24.7378 24.7530 24.7530
k = 0.0238 0.0412 0.1540 ( 6246 PWs) bands (ev):
-4.4310 -4.4310 -4.4310 -4.4310 -2.0765 -2.0765 -2.0765 -2.0765
6.9263 6.9263 6.9264 6.9264 13.5514 13.5514 13.5525 13.5525
13.9291 13.9291 13.9304 13.9304 15.1029 15.1029 15.1056 15.1056
15.5724 15.5724 15.5778 15.5778 16.3728 16.3728 16.3783 16.3783
22.6463 22.6463 22.6482 22.6482 24.0475 24.0475 24.0547 24.0547
24.8097 24.8097 24.8263 24.8263
k = 0.0190 0.0330 0.1540 ( 6256 PWs) bands (ev):
-4.4426 -4.4426 -4.4426 -4.4426 -2.0866 -2.0866 -2.0866 -2.0866
6.9166 6.9166 6.9166 6.9166 13.5703 13.5703 13.5709 13.5709
13.9817 13.9817 13.9823 13.9823 15.1700 15.1700 15.1714 15.1714
15.5884 15.5884 15.5912 15.5912 16.4107 16.4107 16.4135 16.4135
22.5881 22.5881 22.5890 22.5890 24.1022 24.1022 24.1064 24.1064
24.8761 24.8761 24.8913 24.8913
k = 0.0143 0.0247 0.1540 ( 6260 PWs) bands (ev):
-4.4516 -4.4516 -4.4516 -4.4516 -2.0945 -2.0945 -2.0945 -2.0945
6.9091 6.9091 6.9091 6.9091 13.5845 13.5845 13.5847 13.5847
14.0223 14.0223 14.0226 14.0226 15.2271 15.2271 15.2277 15.2277
15.5975 15.5975 15.5987 15.5987 16.4413 16.4413 16.4424 16.4424
22.5398 22.5398 22.5402 22.5402 24.1409 24.1409 24.1428 24.1428
24.9328 24.9328 24.9434 24.9434
k = 0.0095 0.0165 0.1540 ( 6266 PWs) bands (ev):
-4.4580 -4.4580 -4.4580 -4.4580 -2.1002 -2.1002 -2.1002 -2.1002
6.9036 6.9036 6.9036 6.9036 13.5943 13.5943 13.5943 13.5943
14.0511 14.0511 14.0512 14.0512 15.2714 15.2714 15.2716 15.2716
15.6012 15.6012 15.6016 15.6016 16.4637 16.4637 16.4640 16.4640
22.5037 22.5037 22.5038 22.5038 24.1654 24.1654 24.1660 24.1660
24.9733 24.9733 24.9778 24.9778
k = 0.0048 0.0082 0.1540 ( 6262 PWs) bands (ev):
-4.4619 -4.4619 -4.4619 -4.4619 -2.1036 -2.1036 -2.1036 -2.1036
6.9004 6.9004 6.9004 6.9004 13.6000 13.6000 13.6000 13.6000
14.0683 14.0683 14.0683 14.0683 15.2999 15.2999 15.2999 15.2999
15.6018 15.6018 15.6019 15.6019 16.4773 16.4773 16.4774 16.4774
22.4814 22.4814 22.4814 22.4814 24.1785 24.1785 24.1786 24.1786
24.9940 24.9940 24.9946 24.9946
k = 0.0000 0.0000 0.1540 ( 6244 PWs) bands (ev):
-4.4632 -4.4632 -4.4632 -4.4632 -2.1047 -2.1047 -2.1047 -2.1047
6.8993 6.8993 6.8993 6.8993 13.6019 13.6019 13.6019 13.6019
14.0740 14.0740 14.0740 14.0740 15.3098 15.3098 15.3098 15.3098
15.6017 15.6017 15.6017 15.6017 16.4819 16.4819 16.4819 16.4819
22.4738 22.4738 22.4738 22.4738 24.1826 24.1826 24.1826 24.1826
24.9995 24.9995 24.9995 24.9995
k = 0.5000 0.2887 0.1540 ( 6280 PWs) bands (ev):
-1.1994 -1.1994 -1.1994 -1.1994 -0.2150 -0.2150 -0.2150 -0.2150
5.9449 5.9449 5.9449 5.9449 6.6295 6.6295 6.6295 6.6295
10.7758 10.7758 10.7758 10.7758 12.0955 12.0955 12.0955 12.0955
12.4993 12.4993 12.4993 12.4993 14.1327 14.1327 14.1327 14.1327
19.3421 19.3421 19.3421 19.3421 20.8344 20.8344 20.8344 20.8344
22.8703 22.8703 22.8703 22.8703
k = 0.5000 0.2887 0.1449 ( 6284 PWs) bands (ev):
-1.2191 -1.2191 -1.1787 -1.1787 -0.2425 -0.2425 -0.1883 -0.1883
5.9118 5.9118 5.9713 5.9713 6.5977 6.5977 6.6723 6.6723
10.7080 10.7080 10.8327 10.8327 12.0568 12.0568 12.1305 12.1305
12.4302 12.4302 12.5833 12.5833 14.0678 14.0678 14.1973 14.1973
19.2932 19.2932 19.3935 19.3935 20.7178 20.7178 20.9508 20.9508
22.8464 22.8464 22.8590 22.8590
k = 0.5000 0.2887 0.1359 ( 6290 PWs) bands (ev):
-1.2377 -1.2377 -1.1571 -1.1571 -0.2709 -0.2709 -0.1627 -0.1627
5.8745 5.8745 5.9882 5.9882 6.5796 6.5796 6.7231 6.7231
10.6316 10.6316 10.8763 10.8763 12.0174 12.0174 12.1529 12.1529
12.3886 12.3886 12.6749 12.6749 14.0031 14.0031 14.2615 14.2615
19.2469 19.2469 19.4468 19.4468 20.6029 20.6029 21.0644 21.0644
22.7943 22.7943 22.8116 22.8116
k = 0.5000 0.2887 0.1268 ( 6294 PWs) bands (ev):
-1.2553 -1.2553 -1.1345 -1.1345 -0.2999 -0.2999 -0.1380 -0.1380
5.8351 5.8351 5.9937 5.9937 6.5770 6.5770 6.7798 6.7798
10.5487 10.5487 10.9046 10.9046 11.9774 11.9774 12.1535 12.1535
12.3874 12.3874 12.7700 12.7700 13.9391 13.9391 14.3247 14.3247
19.2034 19.2034 19.5015 19.5015 20.4916 20.4916 21.1722 21.1722
22.7240 22.7240 22.7343 22.7343
k = 0.5000 0.2887 0.1178 ( 6296 PWs) bands (ev):
-1.2718 -1.2718 -1.1111 -1.1111 -0.3296 -0.3296 -0.1146 -0.1146
5.7952 5.7952 5.9876 5.9876 6.5901 6.5901 6.8405 6.8405
10.4614 10.4614 10.9162 10.9162 11.9361 11.9361 12.1411 12.1411
12.4207 12.4207 12.8656 12.8656 13.8763 13.8763 14.3868 14.3868
19.1628 19.1628 19.5562 19.5562 20.3862 20.3862 21.2695 21.2695
22.6269 22.6269 22.6558 22.6558
k = 0.5000 0.2887 0.1087 ( 6290 PWs) bands (ev):
-1.2872 -1.2872 -1.0868 -1.0868 -0.3598 -0.3598 -0.0924 -0.0924
5.7559 5.7559 5.9717 5.9717 6.6168 6.6168 6.9036 6.9036
10.3714 10.3714 10.9109 10.9109 11.8938 11.8938 12.1322 12.1322
12.4720 12.4720 12.9593 12.9593 13.8155 13.8155 14.4474 14.4474
19.1252 19.1252 19.6088 19.6088 20.2901 20.2901 21.3501 21.3501
22.5069 22.5069 22.5929 22.5929
k = 0.5000 0.2887 0.0996 ( 6298 PWs) bands (ev):
-1.3015 -1.3015 -1.0617 -1.0617 -0.3905 -0.3905 -0.0715 -0.0715
5.7181 5.7181 5.9490 5.9490 6.6540 6.6540 6.9679 6.9679
10.2806 10.2806 10.8896 10.8896 11.8522 11.8522 12.1334 12.1334
12.5313 12.5313 13.0488 13.0488 13.7578 13.7578 14.5061 14.5061
19.0904 19.0904 19.6548 19.6548 20.2085 20.2085 21.4062 21.4062
22.3753 22.3753 22.5534 22.5534
k = 0.5000 0.2887 0.0906 ( 6308 PWs) bands (ev):
-1.3146 -1.3146 -1.0358 -1.0358 -0.4216 -0.4216 -0.0521 -0.0521
5.6822 5.6822 5.9223 5.9223 6.6983 6.6983 7.0322 7.0322
10.1904 10.1904 10.8550 10.8550 11.8135 11.8135 12.1450 12.1450
12.5936 12.5936 13.1314 13.1314 13.7049 13.7049 14.5625 14.5625
19.0587 19.0587 19.6859 19.6859 20.1505 20.1505 21.4314 21.4314
22.2370 22.2370 22.5475 22.5475
k = 0.5000 0.2887 0.0815 ( 6304 PWs) bands (ev):
-1.3265 -1.3265 -1.0092 -1.0092 -0.4529 -0.4529 -0.0343 -0.0343
5.6489 5.6489 5.8940 5.8940 6.7468 6.7468 7.0953 7.0953
10.1024 10.1024 10.8101 10.8101 11.7787 11.7787 12.1650 12.1650
12.6558 12.6558 13.2039 13.2039 13.6594 13.6594 14.6162 14.6162
19.0300 19.0300 19.6916 19.6916 20.1276 20.1276 21.4242 21.4242
22.0953 22.0953 22.5797 22.5797
k = 0.5000 0.2887 0.0725 ( 6294 PWs) bands (ev):
-1.3372 -1.3372 -0.9819 -0.9819 -0.4845 -0.4845 -0.0180 -0.0180
5.6183 5.6183 5.8658 5.8658 6.7972 6.7972 7.1562 7.1562
10.0181 10.0181 10.7587 10.7587 11.7484 11.7484 12.1913 12.1913
12.7154 12.7154 13.2614 13.2614 13.6260 13.6260 14.6668 14.6668
19.0043 19.0043 19.6684 19.6684 20.1442 20.1442 21.3906 21.3906
21.9527 21.9527 22.6465 22.6465
k = 0.5000 0.2887 0.0634 ( 6300 PWs) bands (ev):
-1.3467 -1.3467 -0.9541 -0.9541 -0.5163 -0.5163 -0.0035 -0.0035
5.5909 5.5909 5.8390 5.8390 6.8474 6.8474 7.2136 7.2136
9.9388 9.9388 10.7043 10.7043 11.7224 11.7224 12.2215 12.2215
12.7704 12.7704 13.2979 13.2979 13.6104 13.6104 14.7135 14.7135
18.9816 18.9816 19.6256 19.6256 20.1917 20.1917 21.3401 21.3401
21.8108 21.8108 22.7403 22.7403
k = 0.5000 0.2887 0.0543 ( 6300 PWs) bands (ev):
-1.3550 -1.3550 -0.9257 -0.9257 -0.5481 -0.5481 0.0093 0.0093
5.5667 5.5667 5.8145 5.8145 6.8956 6.8956 7.2665 7.2665
9.8660 9.8660 10.6502 10.6502 11.7006 11.7006 12.2537 12.2537
12.8188 12.8188 13.3108 13.3108 13.6157 13.6157 14.7560 14.7560
18.9619 18.9619 19.5752 19.5752 20.2589 20.2589 21.2821 21.2821
21.6711 21.6711 22.8531 22.8531
k = 0.5000 0.2887 0.0453 ( 6298 PWs) bands (ev):
-1.3620 -1.3620 -0.8968 -0.8968 -0.5799 -0.5799 0.0203 0.0203
5.5461 5.5461 5.7929 5.7929 6.9401 6.9401 7.3138 7.3138
9.8013 9.8013 10.5993 10.5993 11.6825 11.6825 12.2860 12.2860
12.8590 12.8590 13.3061 13.3061 13.6364 13.6364 14.7934 14.7934
18.9452 18.9452 19.5255 19.5255 20.3380 20.3380 21.2240 21.2240
21.5347 21.5347 22.9789 22.9789
k = 0.5000 0.2887 0.0362 ( 6292 PWs) bands (ev):
-1.3677 -1.3677 -0.8676 -0.8676 -0.6115 -0.6115 0.0293 0.0293
5.5290 5.5290 5.7747 5.7747 6.9792 6.9792 7.3542 7.3542
9.7459 9.7459 10.5540 10.5540 11.6681 11.6681 12.3165 12.3165
12.8896 12.8896 13.2939 13.2939 13.6630 13.6630 14.8252 14.8252
18.9316 18.9316 19.4810 19.4810 20.4249 20.4249 21.1708 21.1708
21.4029 21.4029 23.1132 23.1132
k = 0.5000 0.2887 0.0272 ( 6276 PWs) bands (ev):
-1.3722 -1.3722 -0.8383 -0.8383 -0.6427 -0.6427 0.0364 0.0364
5.5156 5.5156 5.7602 5.7602 7.0115 7.0115 7.3868 7.3868
9.7013 9.7013 10.5164 10.5164 11.6571 11.6571 12.3434 12.3434
12.9105 12.9105 13.2817 13.2817 13.6884 13.6884 14.8508 14.8508
18.9209 18.9209 19.4444 19.4444 20.5162 20.5162 21.1262 21.1262
21.2774 21.2774 23.2524 23.2524
k = 0.5000 0.2887 0.0181 ( 6276 PWs) bands (ev):
-1.3754 -1.3754 -0.8093 -0.8093 -0.6730 -0.6730 0.0415 0.0415
5.5060 5.5060 5.7498 5.7498 7.0357 7.0357 7.4108 7.4108
9.6685 9.6685 10.4883 10.4883 11.6493 11.6493 12.3645 12.3645
12.9227 12.9227 13.2728 13.2728 13.7084 13.7084 14.8694 14.8694
18.9133 18.9133 19.4173 19.4173 20.6078 20.6078 21.0923 21.0923
21.1621 21.1621 23.3922 23.3922
k = 0.5000 0.2887 0.0091 ( 6288 PWs) bands (ev):
-1.3773 -1.3773 -0.7826 -0.7826 -0.7005 -0.7005 0.0446 0.0446
5.5002 5.5002 5.7434 5.7434 7.0507 7.0507 7.4255 7.4255
9.6484 9.6484 10.4709 10.4709 11.6446 11.6446 12.3781 12.3781
12.9285 12.9285 13.2679 13.2679 13.7210 13.7210 14.8808 14.8808
18.9088 18.9088 19.4006 19.4006 20.6892 20.6892 21.0599 21.0599
21.0781 21.0781 23.5225 23.5225
k = 0.5000 0.2887-0.0000 ( 6278 PWs) bands (ev):
-1.3780 -1.3780 -0.7680 -0.7680 -0.7154 -0.7154 0.0456 0.0456
5.4983 5.4983 5.7413 5.7413 7.0557 7.0557 7.4304 7.4304
9.6416 9.6416 10.4650 10.4650 11.6431 11.6431 12.3828 12.3828
12.9301 12.9301 13.2663 13.2663 13.7254 13.7254 14.8847 14.8847
18.9073 18.9073 19.3950 19.3950 20.7279 20.7279 21.0202 21.0202
21.0673 21.0673 23.5938 23.5938
k = 0.3333 0.5774-0.0000 ( 6264 PWs) bands (ev):
-0.3694 -0.3694 -0.2352 -0.2352 -0.2330 -0.2330 -0.2246 -0.2246
6.8114 6.8114 7.0984 7.0984 7.2143 7.2143 7.3444 7.3444
7.7726 7.7726 8.8554 8.8554 9.6691 9.6691 9.8416 9.8416
10.8252 10.8252 12.2549 12.2549 12.4687 12.4687 14.0734 14.0734
20.8119 20.8119 20.9004 20.9004 22.2400 22.2400 22.7402 22.7402
22.7719 22.7719 27.3510 27.3510
k = 0.3333 0.5774 0.0091 ( 6279 PWs) bands (ev):
-0.3691 -0.3691 -0.2355 -0.2355 -0.2330 -0.2330 -0.2246 -0.2246
6.8133 6.8133 7.0912 7.0912 7.2105 7.2105 7.3538 7.3538
7.7792 7.7792 8.8466 8.8466 9.6665 9.6665 9.8360 9.8360
10.8345 10.8345 12.2590 12.2590 12.4728 12.4728 14.0664 14.0664
20.7967 20.7967 20.8836 20.8836 22.2491 22.2491 22.7628 22.7628
22.7930 22.7930 27.3284 27.3284
k = 0.3333 0.5774 0.0181 ( 6279 PWs) bands (ev):
-0.3683 -0.3683 -0.2364 -0.2364 -0.2330 -0.2330 -0.2246 -0.2246
6.8188 6.8188 7.0725 7.0725 7.1996 7.1996 7.3792 7.3792
7.7985 7.7985 8.8208 8.8208 9.6582 9.6582 9.8194 9.8194
10.8622 10.8622 12.2711 12.2711 12.4851 12.4851 14.0457 14.0457
20.7531 20.7531 20.8358 20.8358 22.2765 22.2765 22.8282 22.8282
22.8544 22.8544 27.2637 27.2637
k = 0.3333 0.5774 0.0272 ( 6285 PWs) bands (ev):
-0.3669 -0.3669 -0.2379 -0.2379 -0.2330 -0.2330 -0.2246 -0.2246
6.8276 6.8276 7.0480 7.0480 7.1830 7.1830 7.4151 7.4151
7.8290 7.8290 8.7803 8.7803 9.6434 9.6434 9.7922 9.7922
10.9076 10.9076 12.2906 12.2906 12.5049 12.5049 14.0115 14.0115
20.6865 20.6865 20.7632 20.7632 22.3218 22.3218 22.9301 22.9301
22.9509 22.9509 27.1630 27.1630
k = 0.3333 0.5774 0.0362 ( 6285 PWs) bands (ev):
-0.3651 -0.3651 -0.2399 -0.2399 -0.2330 -0.2330 -0.2246 -0.2246
6.8389 6.8389 7.0223 7.0223 7.1625 7.1625 7.4572 7.4572
7.8689 7.8689 8.7282 8.7282 9.6213 9.6213 9.7551 9.7551
10.9694 10.9694 12.3166 12.3166 12.5313 12.5313 13.9644 13.9644
20.6035 20.6035 20.6736 20.6736 22.3846 22.3846 23.0609 23.0609
23.0759 23.0759 27.0326 27.0326
k = 0.3333 0.5774 0.0453 ( 6288 PWs) bands (ev):
-0.3627 -0.3627 -0.2425 -0.2425 -0.2330 -0.2330 -0.2246 -0.2246
6.8509 6.8509 6.9996 6.9996 7.1398 7.1398 7.5027 7.5027
7.9166 7.9166 8.6678 8.6678 9.5914 9.5914 9.7091 9.7091
11.0461 11.0461 12.3480 12.3480 12.5633 12.5633 13.9050 13.9050
20.5102 20.5102 20.5737 20.5737 22.4641 22.4641 23.2136 23.2136
23.2231 23.2231 26.8784 26.8784
k = 0.3333 0.5774 0.0543 ( 6285 PWs) bands (ev):
-0.3598 -0.3598 -0.2457 -0.2457 -0.2330 -0.2330 -0.2246 -0.2246
6.8603 6.8603 6.9844 6.9844 7.1162 7.1162 7.5495 7.5495
7.9705 7.9705 8.6023 8.6023 9.5543 9.5543 9.6552 9.6552
11.1357 11.1357 12.3834 12.3834 12.5995 12.5995 13.8340 13.8340
20.4119 20.4119 20.4693 20.4693 22.5596 22.5596 23.3829 23.3829
23.3875 23.3875 26.7054 26.7054
k = 0.3333 0.5774 0.0634 ( 6273 PWs) bands (ev):
-0.3565 -0.3565 -0.2493 -0.2493 -0.2329 -0.2329 -0.2245 -0.2245
6.8616 6.8616 6.9826 6.9826 7.0927 7.0927 7.5959 7.5959
8.0297 8.0297 8.5347 8.5347 9.5107 9.5107 9.5945 9.5945
11.2362 11.2362 12.4216 12.4216 12.6385 12.6385 13.7525 13.7525
20.3127 20.3127 20.3644 20.3644 22.6701 22.6701 23.5643 23.5643
23.5650 23.5650 26.5179 26.5179
k = 0.3333 0.5774 0.0725 ( 6267 PWs) bands (ev):
-0.3527 -0.3527 -0.2534 -0.2534 -0.2329 -0.2329 -0.2245 -0.2245
6.8530 6.8530 6.9964 6.9964 7.0701 7.0701 7.6401 7.6401
8.0933 8.0933 8.4681 8.4681 9.4620 9.4620 9.5280 9.5280
11.3459 11.3459 12.4611 12.4611 12.6790 12.6790 13.6613 13.6613
20.2159 20.2159 20.2625 20.2625 22.7947 22.7947 23.7522 23.7522
23.7546 23.7546 26.3195 26.3195
k = 0.3333 0.5774 0.0815 ( 6267 PWs) bands (ev):
-0.3485 -0.3485 -0.2579 -0.2579 -0.2329 -0.2329 -0.2245 -0.2245
6.8386 6.8386 7.0217 7.0217 7.0490 7.0490 7.6795 7.6795
8.1606 8.1606 8.4056 8.4056 9.4096 9.4096 9.4567 9.4567
11.4630 11.4630 12.5006 12.5006 12.7195 12.7195 13.5615 13.5615
20.1238 20.1238 20.1658 20.1658 22.9323 22.9323 23.9463 23.9463
23.9507 23.9507 26.1129 26.1129
k = 0.3333 0.5774 0.0906 ( 6273 PWs) bands (ev):
-0.3439 -0.3439 -0.2628 -0.2628 -0.2329 -0.2329 -0.2245 -0.2245
6.8224 6.8224 7.0296 7.0296 7.0542 7.0542 7.7112 7.7112
8.2311 8.2311 8.3510 8.3510 9.3553 9.3553 9.3815 9.3815
11.5861 11.5861 12.5388 12.5388 12.7588 12.7588 13.4541 13.4541
20.0385 20.0385 20.0765 20.0765 23.0820 23.0820 24.1447 24.1447
24.1501 24.1501 25.9006 25.9006
k = 0.3333 0.5774 0.0996 ( 6279 PWs) bands (ev):
-0.3390 -0.3390 -0.2681 -0.2681 -0.2329 -0.2329 -0.2245 -0.2245
6.8068 6.8068 7.0125 7.0125 7.0912 7.0912 7.7316 7.7316
8.3042 8.3042 8.3080 8.3080 9.3008 9.3008 9.3034 9.3034
11.7137 11.7137 12.5745 12.5745 12.7956 12.7956 13.3401 13.3401
19.9616 19.9616 19.9960 19.9960 23.2426 23.2426 24.3450 24.3450
24.3498 24.3498 25.6846 25.6846
k = 0.3333 0.5774 0.1087 ( 6267 PWs) bands (ev):
-0.3337 -0.3337 -0.2736 -0.2736 -0.2329 -0.2329 -0.2245 -0.2245
6.7927 6.7927 6.9976 6.9976 7.1307 7.1307 7.7378 7.7378
8.2798 8.2798 8.3796 8.3796 9.2232 9.2232 9.2481 9.2481
11.8446 11.8446 12.6066 12.6066 12.8288 12.8288 13.2208 13.2208
19.8945 19.8945 19.9259 19.9259 23.4133 23.4133 24.5438 24.5438
24.5464 24.5464 25.4666 25.4666
k = 0.3333 0.5774 0.1178 ( 6261 PWs) bands (ev):
-0.3283 -0.3283 -0.2793 -0.2793 -0.2328 -0.2328 -0.2245 -0.2245
6.7808 6.7808 6.9853 6.9853 7.1711 7.1711 7.7295 7.7295
8.2668 8.2668 8.4566 8.4566 9.1417 9.1417 9.1994 9.1994
11.9775 11.9775 12.6343 12.6343 12.8574 12.8574 13.0974 13.0974
19.8380 19.8380 19.8670 19.8670 23.5929 23.5929 24.7348 24.7348
24.7363 24.7363 25.2486 25.2486
k = 0.3333 0.5774 0.1268 ( 6255 PWs) bands (ev):
-0.3226 -0.3226 -0.2851 -0.2851 -0.2328 -0.2328 -0.2245 -0.2245
6.7713 6.7713 6.9756 6.9756 7.2099 7.2099 7.7102 7.7102
8.2657 8.2657 8.5345 8.5345 9.0600 9.0600 9.1572 9.1572
12.1107 12.1107 12.6566 12.6566 12.8806 12.8806 12.9716 12.9716
19.7933 19.7933 19.8202 19.8202 23.7806 23.7806 24.9075 24.9075
24.9091 24.9091 25.0381 25.0381
k = 0.3333 0.5774 0.1359 ( 6255 PWs) bands (ev):
-0.3168 -0.3168 -0.2910 -0.2910 -0.2328 -0.2328 -0.2245 -0.2245
6.7644 6.7644 6.9686 6.9686 7.2438 7.2438 7.6869 7.6869
8.2710 8.2710 8.6117 8.6117 8.9801 8.9801 9.1242 9.1242
12.2410 12.2410 12.6729 12.6729 12.8466 12.8466 12.8976 12.8976
19.7608 19.7608 19.7864 19.7864 23.9752 23.9752 24.8060 24.8060
25.0527 25.0527 25.0807 25.0807
k = 0.3333 0.5774 0.1449 ( 6258 PWs) bands (ev):
-0.3113 -0.3113 -0.2967 -0.2967 -0.2328 -0.2328 -0.2244 -0.2244
6.7603 6.7603 6.9644 6.9644 7.2677 7.2677 7.6677 7.6677
8.2769 8.2769 8.6827 8.6827 8.9073 8.9073 9.1031 9.1031
12.3593 12.3593 12.6817 12.6817 12.7327 12.7327 12.9080 12.9080
19.7411 19.7411 19.7658 19.7658 24.1757 24.1757 24.5946 24.5946
25.1532 25.1532 25.1903 25.1903
k = 0.3333 0.5774 0.1540 ( 6258 PWs) bands (ev):
-0.3079 -0.3079 -0.3001 -0.3001 -0.2328 -0.2328 -0.2244 -0.2244
6.7589 6.7589 6.9630 6.9630 7.2766 7.2766 7.6602 7.6602
8.2793 8.2793 8.7208 8.7208 8.8686 8.8686 9.0958 9.0958
12.4216 12.4216 12.6654 12.6654 12.6911 12.6911 12.9116 12.9116
19.7346 19.7346 19.7590 19.7590 24.3608 24.3608 24.4054 24.4054
25.1898 25.1898 25.2319 25.2319
Writing output data file Cs.save
init_run : 0.05s CPU 0.18s WALL ( 1 calls)
electrons : 258.04s CPU 263.83s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.02s WALL ( 1 calls)
potinit : 0.02s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 258.03s CPU 263.82s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.12s CPU 0.16s WALL ( 392 calls)
cegterg : 238.65s CPU 242.78s WALL ( 763 calls)
Called by sum_band:
Called by *egterg:
h_psi : 150.57s CPU 154.06s WALL ( 12474 calls)
g_psi : 0.50s CPU 0.55s WALL ( 11319 calls)
cdiaghg : 69.50s CPU 70.10s WALL ( 11711 calls)
cegterg:over : 10.63s CPU 10.90s WALL ( 11319 calls)
cegterg:upda : 9.15s CPU 9.17s WALL ( 11319 calls)
cegterg:last : 4.08s CPU 3.98s WALL ( 2187 calls)
cdiaghg:chol : 4.16s CPU 4.04s WALL ( 11711 calls)
cdiaghg:inve : 2.36s CPU 2.38s WALL ( 11711 calls)
cdiaghg:para : 4.28s CPU 4.35s WALL ( 23422 calls)
Called by h_psi:
h_psi:vloc : 107.54s CPU 110.47s WALL ( 12474 calls)
h_psi:vnl : 42.59s CPU 43.13s WALL ( 12474 calls)
add_vuspsi : 27.71s CPU 27.93s WALL ( 12474 calls)
General routines
calbec : 14.84s CPU 15.16s WALL ( 12474 calls)
fft : 0.00s CPU 0.00s WALL ( 13 calls)
fftw : 101.54s CPU 104.39s WALL ( 1126632 calls)
davcio : 0.11s CPU 0.19s WALL ( 784 calls)
Parallel routines
fft_scatter : 36.33s CPU 36.93s WALL ( 1126645 calls)
PWSCF : 4m37.35s CPU 5m15.76s WALL
This run was terminated on: 17:33:14 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=