Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:55
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:
./W3N4.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 49 30 9 1601 738 121
Max 50 31 10 1606 757 124
Sum 1789 1085 325 57747 26865 4385
bravais-lattice index = 14
lattice parameter (alat) = 7.7895 a.u.
unit-cell volume = 472.6291 (a.u.)^3
number of atoms/cell = 7
number of atomic types = 2
number of electrons = 62.00
number of Kohn-Sham states= 74
kinetic-energy cutoff = 56.0000 Ry
charge density cutoff = 374.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 7.789451 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.000000 1.000000 0.000000 )
a(3) = ( 0.000000 0.000000 1.000000 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.000000 -0.000000 )
b(2) = ( 0.000000 1.000000 -0.000000 )
b(3) = ( 0.000000 0.000000 1.000000 )
PseudoPot. # 1 for W read from file:
/users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f
Pseudo is Ultrasoft + core correction, Zval = 14.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1273 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for N read from file:
/users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
W 14.00 183.84000 W( 1.00)
N 5.00 14.00670 N( 1.00)
48 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 180 deg rotation - cart. axis [0,1,0]
cryst. s( 3) = ( -1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 5 180 deg rotation - cart. axis [1,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 180 deg rotation - cart. axis [1,-1,0]
cryst. s( 6) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 90 deg rotation - cart. axis [0,0,-1]
cryst. s( 7) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 8 90 deg rotation - cart. axis [0,0,1]
cryst. s( 8) = ( 0 1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 180 deg rotation - cart. axis [1,0,1]
cryst. s( 9) = ( 0 0 1 )
( 0 -1 0 )
( 1 0 0 )
cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 0 0 -1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 11 90 deg rotation - cart. axis [0,1,0]
cryst. s(11) = ( 0 0 -1 )
( 0 1 0 )
( 1 0 0 )
cart. s(11) = ( -0.0000000 0.0000000 1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 12 90 deg rotation - cart. axis [0,-1,0]
cryst. s(12) = ( 0 0 1 )
( 0 1 0 )
( -1 0 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( -1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 0 -1 )
( -1 0 0 )
( 0 1 0 )
cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 0 0 -1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 120 deg rotation - cart. axis [1,-1,1]
cryst. s(20) = ( 0 0 1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 22 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(22) = ( 0 -1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 -1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 0 1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 1 0 0 )
( 0 1 0 )
( 0 0 -1 )
cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(27) = ( 1 0 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(28) = ( -1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s(28) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 29 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(29) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(33) = ( 0 0 -1 )
( 0 1 0 )
( -1 0 0 )
cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s(34) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(34) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 0 1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 0 -1 )
( 0 -1 0 )
( 1 0 0 )
cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(37) = ( 1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( -1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 0 0 -1 )
( -1 0 0 )
( 0 -1 0 )
cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 0 1 )
( 1 0 0 )
( 0 -1 0 )
cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( 0 0 1 )
( -1 0 0 )
( 0 1 0 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 0 -1 )
( 1 0 0 )
( 0 1 0 )
cart. s(44) = ( -0.0000000 1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 -1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 0 1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( 0 -1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(48) = ( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
double point group O_h (m-3m)
there are 16 classes and 6 irreducible representations
the character table:
E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6
-3C2 -6C2'
G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00
G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00
G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00
G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00
G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00
G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00
3s_h 6S4 -6S4 6s_d
-3s_h -6s_d
G_6+ 0.00 1.41 -1.41 0.00
G_7+ 0.00 -1.41 1.41 0.00
G_8+ 0.00 0.00 0.00 0.00
G_6- 0.00 -1.41 1.41 0.00
G_7- 0.00 1.41 -1.41 0.00
G_8- 0.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
8C3 17 19 20 18 24 21 22 23
120 deg rotation - cart. axis [-1,-1,-1]
-8C3 -17 -19 -20 -18 -24 -21 -22 -23
120 deg rotation - cart. axis [-1,-1,-1] E
3C2 -3C2 2 -2 4 -4 3 -3
180 deg rotation - cart. axis [0,0,1]
6C4 7 8 15 16 12 11
90 deg rotation - cart. axis [0,0,-1]
-6C4 -7 -8 -15 -16 -12 -11
90 deg rotation - cart. axis [0,0,-1] E
6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9
180 deg rotation - cart. axis [1,1,0]
i 25
inversion
-i -25
inversion E
8S6 41 43 44 42 48 45 46 47
inv. 120 deg rotation - cart. axis [-1,-1,-1]
-8S6 -41 -43 -44 -42 -48 -45 -46 -47
inv. 120 deg rotation - cart. axis [-1,-1,-1] E
3s_h-3s_h 26 -26 28 -28 27 -27
inv. 180 deg rotation - cart. axis [0,0,1]
6S4 31 32 39 40 36 35
inv. 90 deg rotation - cart. axis [0,0,-1]
-6S4 -31 -32 -39 -40 -36 -35
inv. 90 deg rotation - cart. axis [0,0,-1] E
6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33
inv. 180 deg rotation - cart. axis [1,1,0]
Cartesian axes
number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033557
k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033557
k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033557
k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033557
k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033557
k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033557
k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033557
k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033557
k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033557
k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033557
k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033557
k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033557
k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033557
k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033557
k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033557
k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033557
k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033557
k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033557
k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033557
k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033557
k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033557
k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033557
k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033557
k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033557
k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033557
k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033557
k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033557
k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033557
k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033557
k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033557
k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033557
k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033557
k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033557
k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033557
k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033557
k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033557
k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033557
k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033557
k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557
k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557
k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033557
k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033557
k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033557
k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033557
k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033557
k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033557
k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033557
k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033557
k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033557
k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033557
k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033557
k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033557
k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033557
k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033557
k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033557
k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033557
k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033557
k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033557
k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033557
k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033557
k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033557
k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033557
k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033557
k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033557
k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033557
k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033557
k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033557
k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033557
k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033557
k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033557
k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033557
k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033557
k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033557
k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033557
k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033557
k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033557
k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033557
k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033557
k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557
k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557
k( 82) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0033557
k( 83) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0033557
k( 84) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0033557
k( 85) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0033557
k( 86) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0033557
k( 87) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0033557
k( 88) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0033557
k( 89) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0033557
k( 90) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033557
k( 91) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0033557
k( 92) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0033557
k( 93) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0033557
k( 94) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0033557
k( 95) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0033557
k( 96) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0033557
k( 97) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0033557
k( 98) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0033557
k( 99) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033557
k( 100) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0033557
k( 101) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0033557
k( 102) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033557
k( 103) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0033557
k( 104) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0033557
k( 105) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033557
k( 106) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0033557
k( 107) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0033557
k( 108) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033557
k( 109) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0033557
k( 110) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0033557
k( 111) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033557
k( 112) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0033557
k( 113) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0033557
k( 114) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033557
k( 115) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0033557
k( 116) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0033557
k( 117) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033557
k( 118) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0033557
k( 119) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0033557
k( 120) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033557
k( 121) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0033557
k( 122) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0033557
k( 123) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033557
k( 124) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0033557
k( 125) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0033557
k( 126) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033557
k( 127) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0033557
k( 128) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0033557
k( 129) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033557
k( 130) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0033557
k( 131) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0033557
k( 132) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033557
k( 133) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0033557
k( 134) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0033557
k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 137) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033557
k( 138) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033557
k( 139) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033557
k( 140) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033557
k( 141) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033557
k( 142) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033557
k( 143) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033557
k( 144) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033557
k( 145) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033557
k( 146) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033557
k( 147) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033557
k( 148) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033557
k( 149) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033557
k( 150) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033557
k( 151) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033557
k( 152) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033557
k( 153) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033557
k( 154) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033557
k( 155) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033557
k( 156) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033557
k( 157) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033557
k( 158) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033557
k( 159) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033557
k( 160) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033557
k( 161) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033557
k( 162) = ( 0.1940299 0.1940298 0.1940298), wk = 0.0033557
k( 163) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033557
k( 164) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033557
k( 165) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033557
k( 166) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033557
k( 167) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033557
k( 168) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033557
k( 169) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033557
k( 170) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033557
k( 171) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033557
k( 172) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033557
k( 173) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033557
k( 174) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033557
k( 175) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033557
k( 176) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033557
k( 177) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033557
k( 178) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033557
k( 179) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033557
k( 180) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033557
k( 181) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033557
k( 182) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033557
k( 183) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033557
k( 184) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033557
k( 185) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033557
k( 186) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033557
k( 187) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033557
k( 188) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033557
k( 189) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033557
k( 190) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033557
k( 191) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033557
k( 192) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033557
k( 193) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033557
k( 194) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033557
k( 195) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033557
k( 196) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033557
k( 197) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033557
k( 198) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033557
k( 199) = ( 0.4701493 0.4701492 0.4701492), wk = 0.0033557
k( 200) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033557
k( 201) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033557
k( 202) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033557
k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
k( 205) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0033557
k( 206) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0033557
k( 207) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0033557
k( 208) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0033557
k( 209) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0033557
k( 210) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0033557
k( 211) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0033557
k( 212) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0033557
k( 213) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0033557
k( 214) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0033557
k( 215) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0033557
k( 216) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0033557
k( 217) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0033557
k( 218) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0033557
k( 219) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0033557
k( 220) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0033557
k( 221) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0033557
k( 222) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0033557
k( 223) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0033557
k( 224) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0033557
k( 225) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0033557
k( 226) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0033557
k( 227) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0033557
k( 228) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0033557
k( 229) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0033557
k( 230) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0033557
k( 231) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033557
k( 232) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0033557
k( 233) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0033557
k( 234) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0033557
k( 235) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0033557
k( 236) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0033557
k( 237) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0033557
k( 238) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0033557
k( 239) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0033557
k( 240) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0033557
k( 241) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0033557
k( 242) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0033557
k( 243) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0033557
k( 244) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0033557
k( 245) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0033557
k( 246) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0033557
k( 247) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0033557
k( 248) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0033557
k( 249) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0033557
k( 250) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0033557
k( 251) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0033557
k( 252) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0033557
k( 253) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0033557
k( 254) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0033557
k( 255) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0033557
k( 256) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0033557
k( 257) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0033557
k( 258) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557
k( 259) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557
k( 260) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033557
k( 261) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033557
k( 262) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033557
k( 263) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033557
k( 264) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033557
k( 265) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033557
k( 266) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033557
k( 267) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033557
k( 268) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033557
k( 269) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033557
k( 270) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033557
k( 271) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033557
k( 272) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033557
k( 273) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033557
k( 274) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033557
k( 275) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033557
k( 276) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033557
k( 277) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033557
k( 278) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033557
k( 279) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033557
k( 280) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033557
k( 281) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033557
k( 282) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033557
k( 283) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033557
k( 284) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033557
k( 285) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033557
k( 286) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033557
k( 287) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033557
k( 288) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033557
k( 289) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033557
k( 290) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033557
k( 291) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033557
k( 292) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033557
k( 293) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033557
k( 294) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033557
k( 295) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033557
k( 296) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033557
k( 297) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033557
k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033557
k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033557
k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033557
k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033557
k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033557
k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033557
k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033557
k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033557
k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033557
k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033557
k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033557
k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033557
k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033557
k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033557
k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033557
k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033557
k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033557
k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033557
k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033557
k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033557
k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033557
k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033557
k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033557
k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033557
k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033557
k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033557
k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033557
k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033557
k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033557
k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033557
k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033557
k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033557
k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033557
k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033557
k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033557
k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033557
k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033557
k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033557
k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557
k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557
k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033557
k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033557
k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033557
k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033557
k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033557
k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033557
k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033557
k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033557
k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033557
k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033557
k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033557
k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033557
k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033557
k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033557
k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033557
k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033557
k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033557
k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033557
k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033557
k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033557
k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033557
k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033557
k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0033557
k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033557
k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033557
k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033557
k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0033557
k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033557
k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0033557
k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033557
k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033557
k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033557
k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033557
k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033557
k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033557
k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033557
k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033557
k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033557
k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557
k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557
k( 82) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0033557
k( 83) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0033557
k( 84) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0033557
k( 85) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0033557
k( 86) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0033557
k( 87) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0033557
k( 88) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0033557
k( 89) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0033557
k( 90) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0033557
k( 91) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0033557
k( 92) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0033557
k( 93) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0033557
k( 94) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0033557
k( 95) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0033557
k( 96) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0033557
k( 97) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0033557
k( 98) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0033557
k( 99) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557
k( 100) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0033557
k( 101) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0033557
k( 102) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033557
k( 103) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0033557
k( 104) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0033557
k( 105) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033557
k( 106) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0033557
k( 107) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0033557
k( 108) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033557
k( 109) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0033557
k( 110) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0033557
k( 111) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033557
k( 112) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0033557
k( 113) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0033557
k( 114) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0033557
k( 115) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0033557
k( 116) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0033557
k( 117) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033557
k( 118) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0033557
k( 119) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0033557
k( 120) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033557
k( 121) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0033557
k( 122) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0033557
k( 123) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033557
k( 124) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0033557
k( 125) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0033557
k( 126) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033557
k( 127) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0033557
k( 128) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0033557
k( 129) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033557
k( 130) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0033557
k( 131) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0033557
k( 132) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033557
k( 133) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0033557
k( 134) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0033557
k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557
k( 137) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033557
k( 138) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033557
k( 139) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033557
k( 140) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033557
k( 141) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033557
k( 142) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033557
k( 143) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033557
k( 144) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033557
k( 145) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033557
k( 146) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033557
k( 147) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033557
k( 148) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033557
k( 149) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033557
k( 150) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033557
k( 151) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033557
k( 152) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033557
k( 153) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033557
k( 154) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033557
k( 155) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033557
k( 156) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033557
k( 157) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033557
k( 158) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033557
k( 159) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033557
k( 160) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033557
k( 161) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033557
k( 162) = ( 0.1940299 0.1940299 0.1940299), wk = 0.0033557
k( 163) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033557
k( 164) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033557
k( 165) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033557
k( 166) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033557
k( 167) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033557
k( 168) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033557
k( 169) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033557
k( 170) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033557
k( 171) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033557
k( 172) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033557
k( 173) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033557
k( 174) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033557
k( 175) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033557
k( 176) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033557
k( 177) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033557
k( 178) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033557
k( 179) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033557
k( 180) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033557
k( 181) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033557
k( 182) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033557
k( 183) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033557
k( 184) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033557
k( 185) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033557
k( 186) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033557
k( 187) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033557
k( 188) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033557
k( 189) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033557
k( 190) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033557
k( 191) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033557
k( 192) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033557
k( 193) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033557
k( 194) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033557
k( 195) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033557
k( 196) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033557
k( 197) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033557
k( 198) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033557
k( 199) = ( 0.4701493 0.4701493 0.4701493), wk = 0.0033557
k( 200) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033557
k( 201) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033557
k( 202) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033557
k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
k( 205) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0033557
k( 206) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0033557
k( 207) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0033557
k( 208) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0033557
k( 209) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0033557
k( 210) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0033557
k( 211) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0033557
k( 212) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0033557
k( 213) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0033557
k( 214) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0033557
k( 215) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0033557
k( 216) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0033557
k( 217) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0033557
k( 218) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0033557
k( 219) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0033557
k( 220) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0033557
k( 221) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0033557
k( 222) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0033557
k( 223) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0033557
k( 224) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0033557
k( 225) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0033557
k( 226) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0033557
k( 227) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0033557
k( 228) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0033557
k( 229) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0033557
k( 230) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0033557
k( 231) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0033557
k( 232) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0033557
k( 233) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0033557
k( 234) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0033557
k( 235) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0033557
k( 236) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0033557
k( 237) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0033557
k( 238) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0033557
k( 239) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0033557
k( 240) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0033557
k( 241) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0033557
k( 242) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0033557
k( 243) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0033557
k( 244) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0033557
k( 245) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0033557
k( 246) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0033557
k( 247) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0033557
k( 248) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0033557
k( 249) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0033557
k( 250) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0033557
k( 251) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0033557
k( 252) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0033557
k( 253) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0033557
k( 254) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0033557
k( 255) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0033557
k( 256) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0033557
k( 257) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0033557
k( 258) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557
k( 259) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557
k( 260) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033557
k( 261) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033557
k( 262) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033557
k( 263) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033557
k( 264) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033557
k( 265) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033557
k( 266) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033557
k( 267) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033557
k( 268) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033557
k( 269) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033557
k( 270) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033557
k( 271) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033557
k( 272) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033557
k( 273) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033557
k( 274) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033557
k( 275) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033557
k( 276) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033557
k( 277) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033557
k( 278) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033557
k( 279) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033557
k( 280) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033557
k( 281) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033557
k( 282) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033557
k( 283) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033557
k( 284) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033557
k( 285) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033557
k( 286) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033557
k( 287) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033557
k( 288) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033557
k( 289) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033557
k( 290) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033557
k( 291) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033557
k( 292) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033557
k( 293) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033557
k( 294) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033557
k( 295) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033557
k( 296) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033557
k( 297) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033557
k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557
Dense grid: 57747 G-vectors FFT dimensions: ( 48, 48, 48)
Smooth grid: 26865 G-vectors FFT dimensions: ( 40, 40, 40)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.23 Mb ( 208, 74)
NL pseudopotentials 0.25 Mb ( 104, 158)
Each V/rho on FFT grid 0.07 Mb ( 4608)
Each G-vector array 0.01 Mb ( 1606)
G-vector shells 0.00 Mb ( 353)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.94 Mb ( 208, 296)
Each subspace H/S matrix 0.08 Mb ( 74, 74)
Each <psi_i|beta_j> matrix 0.36 Mb ( 158, 2, 74)
The potential is recalculated from file :
./W3N4.save/charge-density.dat
Starting wfc are 110 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 2.2 secs
Computing kpt #: 2
total cpu time spent up to now is 2.8 secs
Computing kpt #: 3
total cpu time spent up to now is 3.2 secs
Computing kpt #: 4
total cpu time spent up to now is 3.7 secs
Computing kpt #: 5
total cpu time spent up to now is 4.2 secs
Computing kpt #: 6
total cpu time spent up to now is 4.7 secs
Computing kpt #: 7
total cpu time spent up to now is 5.3 secs
Computing kpt #: 8
total cpu time spent up to now is 5.8 secs
Computing kpt #: 9
total cpu time spent up to now is 6.4 secs
Computing kpt #: 10
total cpu time spent up to now is 7.0 secs
Computing kpt #: 11
total cpu time spent up to now is 7.6 secs
Computing kpt #: 12
total cpu time spent up to now is 8.3 secs
Computing kpt #: 13
total cpu time spent up to now is 9.1 secs
Computing kpt #: 14
total cpu time spent up to now is 10.1 secs
Computing kpt #: 15
total cpu time spent up to now is 11.0 secs
Computing kpt #: 16
total cpu time spent up to now is 11.9 secs
Computing kpt #: 17
total cpu time spent up to now is 12.7 secs
Computing kpt #: 18
total cpu time spent up to now is 13.4 secs
Computing kpt #: 19
total cpu time spent up to now is 14.1 secs
Computing kpt #: 20
total cpu time spent up to now is 14.9 secs
Computing kpt #: 21
total cpu time spent up to now is 16.0 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 18.5 secs
Computing kpt #: 25
total cpu time spent up to now is 19.1 secs
Computing kpt #: 26
total cpu time spent up to now is 19.8 secs
Computing kpt #: 27
total cpu time spent up to now is 20.4 secs
Computing kpt #: 28
total cpu time spent up to now is 21.0 secs
Computing kpt #: 29
total cpu time spent up to now is 21.6 secs
Computing kpt #: 30
total cpu time spent up to now is 22.2 secs
Computing kpt #: 31
total cpu time spent up to now is 22.8 secs
Computing kpt #: 32
total cpu time spent up to now is 23.4 secs
Computing kpt #: 33
total cpu time spent up to now is 24.0 secs
Computing kpt #: 34
total cpu time spent up to now is 24.6 secs
Computing kpt #: 35
total cpu time spent up to now is 25.2 secs
Computing kpt #: 36
total cpu time spent up to now is 25.8 secs
Computing kpt #: 37
total cpu time spent up to now is 26.4 secs
Computing kpt #: 38
total cpu time spent up to now is 27.0 secs
Computing kpt #: 39
total cpu time spent up to now is 27.6 secs
Computing kpt #: 40
total cpu time spent up to now is 28.2 secs
Computing kpt #: 41
total cpu time spent up to now is 28.8 secs
Computing kpt #: 42
total cpu time spent up to now is 29.4 secs
Computing kpt #: 43
total cpu time spent up to now is 30.0 secs
Computing kpt #: 44
total cpu time spent up to now is 30.6 secs
Computing kpt #: 45
total cpu time spent up to now is 31.1 secs
Computing kpt #: 46
total cpu time spent up to now is 31.7 secs
Computing kpt #: 47
total cpu time spent up to now is 32.3 secs
Computing kpt #: 48
total cpu time spent up to now is 32.9 secs
Computing kpt #: 49
total cpu time spent up to now is 33.5 secs
Computing kpt #: 50
total cpu time spent up to now is 34.1 secs
Computing kpt #: 51
total cpu time spent up to now is 34.7 secs
Computing kpt #: 52
total cpu time spent up to now is 35.3 secs
Computing kpt #: 53
total cpu time spent up to now is 35.9 secs
Computing kpt #: 54
total cpu time spent up to now is 36.5 secs
Computing kpt #: 55
total cpu time spent up to now is 37.2 secs
Computing kpt #: 56
total cpu time spent up to now is 37.8 secs
Computing kpt #: 57
total cpu time spent up to now is 38.4 secs
Computing kpt #: 58
total cpu time spent up to now is 39.1 secs
Computing kpt #: 59
total cpu time spent up to now is 39.9 secs
Computing kpt #: 60
total cpu time spent up to now is 40.6 secs
Computing kpt #: 61
total cpu time spent up to now is 41.3 secs
Computing kpt #: 62
total cpu time spent up to now is 42.1 secs
Computing kpt #: 63
total cpu time spent up to now is 42.7 secs
Computing kpt #: 64
total cpu time spent up to now is 43.4 secs
Computing kpt #: 65
total cpu time spent up to now is 44.1 secs
Computing kpt #: 66
total cpu time spent up to now is 44.8 secs
Computing kpt #: 67
total cpu time spent up to now is 45.5 secs
Computing kpt #: 68
total cpu time spent up to now is 46.2 secs
Computing kpt #: 69
total cpu time spent up to now is 46.9 secs
Computing kpt #: 70
total cpu time spent up to now is 47.7 secs
Computing kpt #: 71
total cpu time spent up to now is 48.4 secs
Computing kpt #: 72
total cpu time spent up to now is 49.2 secs
Computing kpt #: 73
total cpu time spent up to now is 50.0 secs
Computing kpt #: 74
total cpu time spent up to now is 50.7 secs
Computing kpt #: 75
total cpu time spent up to now is 51.5 secs
Computing kpt #: 76
total cpu time spent up to now is 52.3 secs
Computing kpt #: 77
total cpu time spent up to now is 53.0 secs
Computing kpt #: 78
total cpu time spent up to now is 53.8 secs
Computing kpt #: 79
total cpu time spent up to now is 54.5 secs
Computing kpt #: 80
total cpu time spent up to now is 55.3 secs
Computing kpt #: 81
total cpu time spent up to now is 56.1 secs
Computing kpt #: 82
total cpu time spent up to now is 56.8 secs
Computing kpt #: 83
total cpu time spent up to now is 57.6 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 59.1 secs
Computing kpt #: 86
total cpu time spent up to now is 59.9 secs
Computing kpt #: 87
total cpu time spent up to now is 60.6 secs
Computing kpt #: 88
total cpu time spent up to now is 61.4 secs
Computing kpt #: 89
total cpu time spent up to now is 62.1 secs
Computing kpt #: 90
total cpu time spent up to now is 62.9 secs
Computing kpt #: 91
total cpu time spent up to now is 63.6 secs
Computing kpt #: 92
total cpu time spent up to now is 64.4 secs
Computing kpt #: 93
total cpu time spent up to now is 65.0 secs
Computing kpt #: 94
total cpu time spent up to now is 65.8 secs
Computing kpt #: 95
total cpu time spent up to now is 66.5 secs
Computing kpt #: 96
total cpu time spent up to now is 67.2 secs
Computing kpt #: 97
total cpu time spent up to now is 67.9 secs
Computing kpt #: 98
total cpu time spent up to now is 68.6 secs
Computing kpt #: 99
total cpu time spent up to now is 69.3 secs
Computing kpt #: 100
total cpu time spent up to now is 70.0 secs
Computing kpt #: 101
total cpu time spent up to now is 70.8 secs
Computing kpt #: 102
total cpu time spent up to now is 71.5 secs
Computing kpt #: 103
total cpu time spent up to now is 72.2 secs
Computing kpt #: 104
total cpu time spent up to now is 72.8 secs
Computing kpt #: 105
total cpu time spent up to now is 73.5 secs
Computing kpt #: 106
total cpu time spent up to now is 74.2 secs
Computing kpt #: 107
total cpu time spent up to now is 74.8 secs
Computing kpt #: 108
total cpu time spent up to now is 75.5 secs
Computing kpt #: 109
total cpu time spent up to now is 76.2 secs
Computing kpt #: 110
total cpu time spent up to now is 76.9 secs
Computing kpt #: 111
total cpu time spent up to now is 77.6 secs
Computing kpt #: 112
total cpu time spent up to now is 78.4 secs
Computing kpt #: 113
total cpu time spent up to now is 79.2 secs
Computing kpt #: 114
total cpu time spent up to now is 79.9 secs
Computing kpt #: 115
total cpu time spent up to now is 80.7 secs
Computing kpt #: 116
total cpu time spent up to now is 81.5 secs
Computing kpt #: 117
total cpu time spent up to now is 82.3 secs
Computing kpt #: 118
total cpu time spent up to now is 83.1 secs
Computing kpt #: 119
total cpu time spent up to now is 83.9 secs
Computing kpt #: 120
total cpu time spent up to now is 84.7 secs
Computing kpt #: 121
total cpu time spent up to now is 85.6 secs
Computing kpt #: 122
total cpu time spent up to now is 86.6 secs
Computing kpt #: 123
total cpu time spent up to now is 87.6 secs
Computing kpt #: 124
total cpu time spent up to now is 88.4 secs
Computing kpt #: 125
total cpu time spent up to now is 89.2 secs
Computing kpt #: 126
total cpu time spent up to now is 89.9 secs
Computing kpt #: 127
total cpu time spent up to now is 90.5 secs
Computing kpt #: 128
total cpu time spent up to now is 91.1 secs
Computing kpt #: 129
total cpu time spent up to now is 91.6 secs
Computing kpt #: 130
total cpu time spent up to now is 92.2 secs
Computing kpt #: 131
total cpu time spent up to now is 92.7 secs
Computing kpt #: 132
total cpu time spent up to now is 93.2 secs
Computing kpt #: 133
total cpu time spent up to now is 93.6 secs
Computing kpt #: 134
total cpu time spent up to now is 94.1 secs
Computing kpt #: 135
total cpu time spent up to now is 94.6 secs
Computing kpt #: 136
total cpu time spent up to now is 95.1 secs
Computing kpt #: 137
total cpu time spent up to now is 95.6 secs
Computing kpt #: 138
total cpu time spent up to now is 96.1 secs
Computing kpt #: 139
total cpu time spent up to now is 96.6 secs
Computing kpt #: 140
total cpu time spent up to now is 97.1 secs
Computing kpt #: 141
total cpu time spent up to now is 97.6 secs
Computing kpt #: 142
total cpu time spent up to now is 98.1 secs
Computing kpt #: 143
total cpu time spent up to now is 98.7 secs
Computing kpt #: 144
total cpu time spent up to now is 99.3 secs
Computing kpt #: 145
total cpu time spent up to now is 100.0 secs
Computing kpt #: 146
total cpu time spent up to now is 100.7 secs
Computing kpt #: 147
total cpu time spent up to now is 101.6 secs
Computing kpt #: 148
total cpu time spent up to now is 102.5 secs
Computing kpt #: 149
total cpu time spent up to now is 103.3 secs
Computing kpt #: 150
total cpu time spent up to now is 104.2 secs
Computing kpt #: 151
total cpu time spent up to now is 104.9 secs
Computing kpt #: 152
total cpu time spent up to now is 105.7 secs
Computing kpt #: 153
total cpu time spent up to now is 106.3 secs
Computing kpt #: 154
total cpu time spent up to now is 106.9 secs
Computing kpt #: 155
total cpu time spent up to now is 107.6 secs
Computing kpt #: 156
total cpu time spent up to now is 108.4 secs
Computing kpt #: 157
total cpu time spent up to now is 109.2 secs
Computing kpt #: 158
total cpu time spent up to now is 110.0 secs
Computing kpt #: 159
total cpu time spent up to now is 110.8 secs
Computing kpt #: 160
total cpu time spent up to now is 111.6 secs
Computing kpt #: 161
total cpu time spent up to now is 112.4 secs
Computing kpt #: 162
total cpu time spent up to now is 113.0 secs
Computing kpt #: 163
total cpu time spent up to now is 113.7 secs
Computing kpt #: 164
total cpu time spent up to now is 114.3 secs
Computing kpt #: 165
total cpu time spent up to now is 114.8 secs
Computing kpt #: 166
total cpu time spent up to now is 115.4 secs
Computing kpt #: 167
total cpu time spent up to now is 115.9 secs
Computing kpt #: 168
total cpu time spent up to now is 116.5 secs
Computing kpt #: 169
total cpu time spent up to now is 117.0 secs
Computing kpt #: 170
total cpu time spent up to now is 117.5 secs
Computing kpt #: 171
total cpu time spent up to now is 118.0 secs
Computing kpt #: 172
total cpu time spent up to now is 118.4 secs
Computing kpt #: 173
total cpu time spent up to now is 118.9 secs
Computing kpt #: 174
total cpu time spent up to now is 119.4 secs
Computing kpt #: 175
total cpu time spent up to now is 119.9 secs
Computing kpt #: 176
total cpu time spent up to now is 120.4 secs
Computing kpt #: 177
total cpu time spent up to now is 120.9 secs
Computing kpt #: 178
total cpu time spent up to now is 121.3 secs
Computing kpt #: 179
total cpu time spent up to now is 121.8 secs
Computing kpt #: 180
total cpu time spent up to now is 122.3 secs
Computing kpt #: 181
total cpu time spent up to now is 122.8 secs
Computing kpt #: 182
total cpu time spent up to now is 123.3 secs
Computing kpt #: 183
total cpu time spent up to now is 123.8 secs
Computing kpt #: 184
total cpu time spent up to now is 124.3 secs
Computing kpt #: 185
total cpu time spent up to now is 124.8 secs
Computing kpt #: 186
total cpu time spent up to now is 125.3 secs
Computing kpt #: 187
total cpu time spent up to now is 125.8 secs
Computing kpt #: 188
total cpu time spent up to now is 126.3 secs
Computing kpt #: 189
total cpu time spent up to now is 126.8 secs
Computing kpt #: 190
total cpu time spent up to now is 127.3 secs
Computing kpt #: 191
total cpu time spent up to now is 127.8 secs
Computing kpt #: 192
total cpu time spent up to now is 128.3 secs
Computing kpt #: 193
total cpu time spent up to now is 128.8 secs
Computing kpt #: 194
total cpu time spent up to now is 129.3 secs
Computing kpt #: 195
total cpu time spent up to now is 129.9 secs
Computing kpt #: 196
total cpu time spent up to now is 130.4 secs
Computing kpt #: 197
total cpu time spent up to now is 130.9 secs
Computing kpt #: 198
total cpu time spent up to now is 131.4 secs
Computing kpt #: 199
total cpu time spent up to now is 131.9 secs
Computing kpt #: 200
total cpu time spent up to now is 132.4 secs
Computing kpt #: 201
total cpu time spent up to now is 132.9 secs
Computing kpt #: 202
total cpu time spent up to now is 133.4 secs
Computing kpt #: 203
total cpu time spent up to now is 133.9 secs
Computing kpt #: 204
total cpu time spent up to now is 134.5 secs
Computing kpt #: 205
total cpu time spent up to now is 135.0 secs
Computing kpt #: 206
total cpu time spent up to now is 135.7 secs
Computing kpt #: 207
total cpu time spent up to now is 136.2 secs
Computing kpt #: 208
total cpu time spent up to now is 136.7 secs
Computing kpt #: 209
total cpu time spent up to now is 137.3 secs
Computing kpt #: 210
total cpu time spent up to now is 137.8 secs
Computing kpt #: 211
total cpu time spent up to now is 138.3 secs
Computing kpt #: 212
total cpu time spent up to now is 138.8 secs
Computing kpt #: 213
total cpu time spent up to now is 139.3 secs
Computing kpt #: 214
total cpu time spent up to now is 139.8 secs
Computing kpt #: 215
total cpu time spent up to now is 140.3 secs
Computing kpt #: 216
total cpu time spent up to now is 140.8 secs
Computing kpt #: 217
total cpu time spent up to now is 141.4 secs
Computing kpt #: 218
total cpu time spent up to now is 141.9 secs
Computing kpt #: 219
total cpu time spent up to now is 142.3 secs
Computing kpt #: 220
total cpu time spent up to now is 142.8 secs
Computing kpt #: 221
total cpu time spent up to now is 143.4 secs
Computing kpt #: 222
total cpu time spent up to now is 143.9 secs
Computing kpt #: 223
total cpu time spent up to now is 144.4 secs
Computing kpt #: 224
total cpu time spent up to now is 144.9 secs
Computing kpt #: 225
total cpu time spent up to now is 145.4 secs
Computing kpt #: 226
total cpu time spent up to now is 145.9 secs
Computing kpt #: 227
total cpu time spent up to now is 146.4 secs
Computing kpt #: 228
total cpu time spent up to now is 146.9 secs
Computing kpt #: 229
total cpu time spent up to now is 147.4 secs
Computing kpt #: 230
total cpu time spent up to now is 147.9 secs
Computing kpt #: 231
total cpu time spent up to now is 148.4 secs
Computing kpt #: 232
total cpu time spent up to now is 148.9 secs
Computing kpt #: 233
total cpu time spent up to now is 149.4 secs
Computing kpt #: 234
total cpu time spent up to now is 149.9 secs
Computing kpt #: 235
total cpu time spent up to now is 150.4 secs
Computing kpt #: 236
total cpu time spent up to now is 151.0 secs
Computing kpt #: 237
total cpu time spent up to now is 151.6 secs
Computing kpt #: 238
total cpu time spent up to now is 152.2 secs
Computing kpt #: 239
total cpu time spent up to now is 152.8 secs
Computing kpt #: 240
total cpu time spent up to now is 153.5 secs
Computing kpt #: 241
total cpu time spent up to now is 154.3 secs
Computing kpt #: 242
total cpu time spent up to now is 155.1 secs
Computing kpt #: 243
total cpu time spent up to now is 155.8 secs
Computing kpt #: 244
total cpu time spent up to now is 156.5 secs
Computing kpt #: 245
total cpu time spent up to now is 157.1 secs
Computing kpt #: 246
total cpu time spent up to now is 157.7 secs
Computing kpt #: 247
total cpu time spent up to now is 158.3 secs
Computing kpt #: 248
total cpu time spent up to now is 158.8 secs
Computing kpt #: 249
total cpu time spent up to now is 159.4 secs
Computing kpt #: 250
total cpu time spent up to now is 160.0 secs
Computing kpt #: 251
total cpu time spent up to now is 160.6 secs
Computing kpt #: 252
total cpu time spent up to now is 161.2 secs
Computing kpt #: 253
total cpu time spent up to now is 161.8 secs
Computing kpt #: 254
total cpu time spent up to now is 162.4 secs
Computing kpt #: 255
total cpu time spent up to now is 163.0 secs
Computing kpt #: 256
total cpu time spent up to now is 163.6 secs
Computing kpt #: 257
total cpu time spent up to now is 164.2 secs
Computing kpt #: 258
total cpu time spent up to now is 164.8 secs
Computing kpt #: 259
total cpu time spent up to now is 165.5 secs
Computing kpt #: 260
total cpu time spent up to now is 166.3 secs
Computing kpt #: 261
total cpu time spent up to now is 167.0 secs
Computing kpt #: 262
total cpu time spent up to now is 167.6 secs
Computing kpt #: 263
total cpu time spent up to now is 168.3 secs
Computing kpt #: 264
total cpu time spent up to now is 168.9 secs
Computing kpt #: 265
total cpu time spent up to now is 169.4 secs
Computing kpt #: 266
total cpu time spent up to now is 170.0 secs
Computing kpt #: 267
total cpu time spent up to now is 170.6 secs
Computing kpt #: 268
total cpu time spent up to now is 171.1 secs
Computing kpt #: 269
total cpu time spent up to now is 171.6 secs
Computing kpt #: 270
total cpu time spent up to now is 172.1 secs
Computing kpt #: 271
total cpu time spent up to now is 172.7 secs
Computing kpt #: 272
total cpu time spent up to now is 173.2 secs
Computing kpt #: 273
total cpu time spent up to now is 173.7 secs
Computing kpt #: 274
total cpu time spent up to now is 174.2 secs
Computing kpt #: 275
total cpu time spent up to now is 174.7 secs
Computing kpt #: 276
total cpu time spent up to now is 175.2 secs
Computing kpt #: 277
total cpu time spent up to now is 175.7 secs
Computing kpt #: 278
total cpu time spent up to now is 176.2 secs
Computing kpt #: 279
total cpu time spent up to now is 176.7 secs
Computing kpt #: 280
total cpu time spent up to now is 177.2 secs
Computing kpt #: 281
total cpu time spent up to now is 177.7 secs
Computing kpt #: 282
total cpu time spent up to now is 178.2 secs
Computing kpt #: 283
total cpu time spent up to now is 178.7 secs
Computing kpt #: 284
total cpu time spent up to now is 179.3 secs
Computing kpt #: 285
total cpu time spent up to now is 179.8 secs
Computing kpt #: 286
total cpu time spent up to now is 180.3 secs
Computing kpt #: 287
total cpu time spent up to now is 180.8 secs
Computing kpt #: 288
total cpu time spent up to now is 181.3 secs
Computing kpt #: 289
total cpu time spent up to now is 181.8 secs
Computing kpt #: 290
total cpu time spent up to now is 182.4 secs
Computing kpt #: 291
total cpu time spent up to now is 182.9 secs
Computing kpt #: 292
total cpu time spent up to now is 183.4 secs
Computing kpt #: 293
total cpu time spent up to now is 183.9 secs
Computing kpt #: 294
total cpu time spent up to now is 184.4 secs
Computing kpt #: 295
total cpu time spent up to now is 184.9 secs
Computing kpt #: 296
total cpu time spent up to now is 185.4 secs
Computing kpt #: 297
total cpu time spent up to now is 185.9 secs
Computing kpt #: 298
total cpu time spent up to now is 186.4 secs
ethr = 1.61E-08, avg # of iterations = 17.0
total cpu time spent up to now is 186.4 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0508 -55.0508 -26.6670 -26.6670
-26.6670 -26.6670 -26.4021 -26.4021 -17.4551 -17.4551 -17.0930 -17.0930
-17.0930 -17.0930 -16.7385 -16.7385 -16.5487 -16.5487 -16.5487 -16.5487
0.3390 0.3390 2.7118 2.7118 3.8351 3.8351 3.8351 3.8351
13.3704 13.3704 13.3704 13.3704 14.1620 14.1620 14.5760 14.5760
14.5760 14.5760 14.5863 14.5863 15.6509 15.6509 16.0859 16.0859
16.0859 16.0859 16.8038 16.8038 16.8038 16.8038 17.1491 17.1491
18.1362 18.1362 18.1616 18.1616 18.1616 18.1616 19.4041 19.4041
19.4041 19.4041 19.7539 19.7539 20.3031 20.3031 20.3031 20.3031
22.0882 22.0882
k = 0.0000 0.0128-0.0000 ( 3371 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0507 -55.0507 -26.6669 -26.6669
-26.6668 -26.6668 -26.4022 -26.4022 -17.4548 -17.4548 -17.0929 -17.0929
-17.0928 -17.0928 -16.7385 -16.7385 -16.5490 -16.5490 -16.5488 -16.5488
0.3404 0.3404 2.7129 2.7129 3.8352 3.8352 3.8365 3.8365
13.3671 13.3671 13.3692 13.3692 14.1591 14.1591 14.5716 14.5716
14.5754 14.5754 14.5850 14.5850 15.6519 15.6519 16.0820 16.0820
16.0904 16.0904 16.7978 16.7978 16.8049 16.8049 17.1465 17.1465
18.1298 18.1298 18.1520 18.1520 18.1554 18.1554 19.4061 19.4061
19.4148 19.4148 19.7586 19.7586 20.3041 20.3041 20.3175 20.3175
22.0940 22.0940
k = 0.0000 0.0256-0.0000 ( 3363 PWs) bands (ev):
-55.1407 -55.1407 -55.0509 -55.0509 -55.0507 -55.0507 -26.6669 -26.6669
-26.6665 -26.6665 -26.4025 -26.4025 -17.4542 -17.4542 -17.0929 -17.0929
-17.0923 -17.0923 -16.7386 -16.7386 -16.5500 -16.5500 -16.5492 -16.5492
0.3447 0.3447 2.7164 2.7164 3.8355 3.8355 3.8408 3.8408
13.3571 13.3571 13.3655 13.3655 14.1504 14.1504 14.5587 14.5587
14.5709 14.5709 14.5837 14.5837 15.6534 15.6534 16.0717 16.0717
16.1038 16.1038 16.7788 16.7788 16.8080 16.8080 17.1393 17.1393
18.1110 18.1110 18.1243 18.1243 18.1370 18.1370 19.4112 19.4112
19.4457 19.4457 19.7731 19.7731 20.3070 20.3070 20.3597 20.3597
22.1112 22.1112
k = 0.0000 0.0385-0.0000 ( 3347 PWs) bands (ev):
-55.1405 -55.1405 -55.0510 -55.0510 -55.0507 -55.0507 -26.6668 -26.6668
-26.6660 -26.6660 -26.4030 -26.4030 -17.4532 -17.4532 -17.0928 -17.0928
-17.0916 -17.0916 -16.7389 -16.7389 -16.5517 -16.5517 -16.5498 -16.5498
0.3519 0.3519 2.7222 2.7222 3.8360 3.8360 3.8478 3.8478
13.3403 13.3403 13.3595 13.3595 14.1361 14.1361 14.5382 14.5382
14.5603 14.5603 14.5851 14.5851 15.6502 15.6502 16.0594 16.0594
16.1255 16.1255 16.7456 16.7456 16.8135 16.8135 17.1301 17.1301
18.0798 18.0798 18.0830 18.0830 18.1076 18.1076 19.4175 19.4175
19.4942 19.4942 19.7979 19.7979 20.3118 20.3118 20.4275 20.4275
22.1392 22.1392
k = 0.0000 0.0513-0.0000 ( 3347 PWs) bands (ev):
-55.1403 -55.1403 -55.0512 -55.0512 -55.0507 -55.0507 -26.6668 -26.6668
-26.6654 -26.6654 -26.4036 -26.4036 -17.4518 -17.4518 -17.0928 -17.0928
-17.0907 -17.0907 -16.7393 -16.7393 -16.5541 -16.5541 -16.5508 -16.5508
0.3619 0.3619 2.7302 2.7302 3.8367 3.8367 3.8576 3.8576
13.3165 13.3165 13.3511 13.3511 14.1168 14.1168 14.5115 14.5115
14.5449 14.5449 14.5883 14.5883 15.6344 15.6344 16.0523 16.0523
16.1545 16.1545 16.6964 16.6964 16.8217 16.8217 17.1218 17.1218
18.0280 18.0280 18.0422 18.0422 18.0690 18.0690 19.4227 19.4227
19.5569 19.5569 19.8336 19.8336 20.3185 20.3185 20.5175 20.5175
22.1770 22.1770
k = 0.0000 0.0641-0.0000 ( 3343 PWs) bands (ev):
-55.1400 -55.1400 -55.0515 -55.0515 -55.0507 -55.0507 -26.6669 -26.6669
-26.6645 -26.6645 -26.4045 -26.4045 -17.4500 -17.4500 -17.0928 -17.0928
-17.0894 -17.0894 -16.7398 -16.7398 -16.5572 -16.5572 -16.5519 -16.5519
0.3746 0.3746 2.7404 2.7404 3.8377 3.8377 3.8701 3.8701
13.2856 13.2856 13.3405 13.3405 14.0928 14.0928 14.4798 14.4798
14.5259 14.5259 14.5928 14.5928 15.5984 15.5984 16.0572 16.0572
16.1898 16.1898 16.6306 16.6306 16.8331 16.8331 17.1170 17.1170
17.9677 17.9677 17.9954 17.9954 18.0230 18.0230 19.4248 19.4248
19.6306 19.6306 19.8797 19.8797 20.3273 20.3273 20.6260 20.6260
22.2232 22.2232
k = 0.0000 0.0769-0.0000 ( 3339 PWs) bands (ev):
-55.1396 -55.1396 -55.0519 -55.0519 -55.0507 -55.0507 -26.6669 -26.6669
-26.6635 -26.6635 -26.4056 -26.4056 -17.4479 -17.4479 -17.0927 -17.0927
-17.0879 -17.0879 -16.7405 -16.7405 -16.5609 -16.5609 -16.5534 -16.5534
0.3901 0.3901 2.7529 2.7529 3.8388 3.8388 3.8854 3.8854
13.2473 13.2473 13.3278 13.3278 14.0649 14.0649 14.4445 14.4445
14.5040 14.5040 14.5983 14.5983 15.5390 15.5390 16.0766 16.0766
16.2298 16.2298 16.5488 16.5488 16.8487 16.8487 17.1175 17.1175
17.9035 17.9035 17.9432 17.9432 17.9714 17.9714 19.4228 19.4228
19.7129 19.7129 19.9350 19.9350 20.3385 20.3385 20.7492 20.7492
22.2764 22.2764
k = 0.0000 0.0897-0.0000 ( 3335 PWs) bands (ev):
-55.1392 -55.1392 -55.0523 -55.0523 -55.0507 -55.0507 -26.6669 -26.6669
-26.6623 -26.6623 -26.4069 -26.4069 -17.4454 -17.4454 -17.0927 -17.0927
-17.0861 -17.0861 -16.7413 -16.7413 -16.5652 -16.5652 -16.5550 -16.5550
0.4082 0.4082 2.7674 2.7674 3.8401 3.8401 3.9033 3.9033
13.2015 13.2015 13.3130 13.3130 14.0338 14.0338 14.4067 14.4067
14.4800 14.4800 14.6049 14.6049 15.4581 15.4581 16.1079 16.1079
16.2722 16.2722 16.4534 16.4534 16.8692 16.8692 17.1241 17.1241
17.8375 17.8375 17.8872 17.8872 17.9157 17.9157 19.4165 19.4165
19.8018 19.8018 19.9972 19.9972 20.3529 20.3529 20.8837 20.8837
22.3348 22.3348
k = 0.0000 0.1026-0.0000 ( 3335 PWs) bands (ev):
-55.1387 -55.1387 -55.0528 -55.0528 -55.0507 -55.0507 -26.6669 -26.6669
-26.6610 -26.6610 -26.4084 -26.4084 -17.4425 -17.4425 -17.0926 -17.0926
-17.0840 -17.0840 -16.7422 -16.7422 -16.5702 -16.5702 -16.5569 -16.5569
0.4289 0.4289 2.7840 2.7840 3.8416 3.8416 3.9237 3.9237
13.1480 13.1480 13.2964 13.2964 14.0003 14.0003 14.3674 14.3674
14.4544 14.4544 14.6125 14.6125 15.3597 15.3597 16.1465 16.1465
16.3039 16.3039 16.3576 16.3576 16.8960 16.8960 17.1375 17.1375
17.7713 17.7713 17.8287 17.8287 17.8574 17.8574 19.4060 19.4060
19.8957 19.8957 20.0630 20.0630 20.3721 20.3721 21.0262 21.0262
22.3969 22.3969
k = 0.0000 0.1154-0.0000 ( 3335 PWs) bands (ev):
-55.1382 -55.1382 -55.0533 -55.0533 -55.0507 -55.0507 -26.6669 -26.6669
-26.6595 -26.6595 -26.4100 -26.4100 -17.4392 -17.4392 -17.0925 -17.0925
-17.0817 -17.0817 -16.7432 -16.7432 -16.5758 -16.5758 -16.5591 -16.5591
0.4521 0.4521 2.8025 2.8025 3.8434 3.8434 3.9466 3.9466
13.0870 13.0870 13.2782 13.2782 13.9650 13.9650 14.3272 14.3272
14.4276 14.4276 14.6209 14.6209 15.2478 15.2478 16.1880 16.1880
16.2155 16.2155 16.3712 16.3712 16.9303 16.9303 17.1584 17.1584
17.7057 17.7057 17.7691 17.7691 17.7976 17.7976 19.3918 19.3918
19.9936 19.9936 20.1281 20.1281 20.3987 20.3987 21.1742 21.1742
22.4608 22.4608
k = 0.0000 0.1282-0.0000 ( 3335 PWs) bands (ev):
-55.1376 -55.1376 -55.0539 -55.0539 -55.0507 -55.0507 -26.6669 -26.6669
-26.6578 -26.6578 -26.4118 -26.4118 -17.4356 -17.4356 -17.0924 -17.0924
-17.0792 -17.0792 -16.7443 -16.7443 -16.5819 -16.5819 -16.5614 -16.5614
0.4777 0.4777 2.8229 2.8229 3.8453 3.8453 3.9720 3.9720
13.0185 13.0185 13.2584 13.2584 13.9286 13.9286 14.2867 14.2867
14.4003 14.4003 14.6303 14.6303 15.1256 15.1256 16.0886 16.0886
16.2290 16.2290 16.4128 16.4128 16.9732 16.9732 17.1873 17.1873
17.6413 17.6413 17.7093 17.7093 17.7373 17.7373 19.3743 19.3743
20.0945 20.0945 20.1869 20.1869 20.4370 20.4370 21.3253 21.3253
22.5250 22.5250
k = 0.0000 0.1410-0.0000 ( 3327 PWs) bands (ev):
-55.1369 -55.1369 -55.0545 -55.0545 -55.0507 -55.0507 -26.6669 -26.6669
-26.6559 -26.6559 -26.4138 -26.4138 -17.4317 -17.4317 -17.0923 -17.0923
-17.0764 -17.0764 -16.7456 -16.7456 -16.5886 -16.5886 -16.5639 -16.5639
0.5056 0.5056 2.8451 2.8451 3.8475 3.8475 3.9996 3.9996
12.9428 12.9428 13.2374 13.2374 13.8916 13.8916 14.2463 14.2463
14.3726 14.3726 14.6405 14.6405 14.9957 14.9957 15.9531 15.9531
16.2668 16.2668 16.4525 16.4525 17.0258 17.0258 17.2245 17.2245
17.5783 17.5783 17.6501 17.6501 17.6779 17.6779 19.3538 19.3538
20.1978 20.1978 20.2345 20.2345 20.4908 20.4908 21.4774 21.4774
22.5881 22.5881
k = 0.0000 0.1538-0.0000 ( 3327 PWs) bands (ev):
-55.1362 -55.1362 -55.0553 -55.0553 -55.0507 -55.0507 -26.6670 -26.6670
-26.6539 -26.6539 -26.4160 -26.4160 -17.4274 -17.4274 -17.0921 -17.0921
-17.0733 -17.0733 -16.7471 -16.7471 -16.5959 -16.5959 -16.5666 -16.5666
0.5357 0.5357 2.8689 2.8689 3.8499 3.8499 4.0294 4.0294
12.8605 12.8605 13.2153 13.2153 13.8545 13.8545 14.2062 14.2062
14.3448 14.3448 14.6515 14.6515 14.8600 14.8600 15.8119 15.8119
16.3001 16.3001 16.4878 16.4878 17.0883 17.0883 17.2696 17.2696
17.5167 17.5167 17.5924 17.5924 17.6209 17.6209 19.3307 19.3307
20.2697 20.2697 20.3027 20.3027 20.5601 20.5601 21.6288 21.6288
22.6486 22.6486
k = 0.0000 0.1667-0.0000 ( 3339 PWs) bands (ev):
-55.1355 -55.1355 -55.0560 -55.0560 -55.0507 -55.0507 -26.6670 -26.6670
-26.6518 -26.6518 -26.4183 -26.4183 -17.4228 -17.4228 -17.0919 -17.0919
-17.0700 -17.0700 -16.7486 -16.7486 -16.6037 -16.6037 -16.5695 -16.5695
0.5677 0.5677 2.8942 2.8942 3.8525 3.8525 4.0613 4.0613
12.7722 12.7722 13.1923 13.1923 13.8176 13.8176 14.1665 14.1665
14.3171 14.3171 14.6632 14.6632 14.7204 14.7204 15.6666 15.6666
16.3279 16.3279 16.5178 16.5178 17.1607 17.1607 17.3193 17.3193
17.4567 17.4567 17.5365 17.5365 17.5702 17.5702 19.3054 19.3054
20.2954 20.2954 20.4089 20.4089 20.6411 20.6411 21.7781 21.7781
22.7054 22.7054
k = 0.0000 0.1795-0.0000 ( 3335 PWs) bands (ev):
-55.1347 -55.1347 -55.0568 -55.0568 -55.0507 -55.0507 -26.6670 -26.6670
-26.6495 -26.6495 -26.4208 -26.4208 -17.4180 -17.4180 -17.0917 -17.0917
-17.0665 -17.0665 -16.7503 -16.7503 -16.6119 -16.6119 -16.5725 -16.5725
0.6017 0.6017 2.9208 2.9208 3.8554 3.8554 4.0950 4.0950
12.6786 12.6786 13.1686 13.1686 13.7811 13.7811 14.1273 14.1273
14.2896 14.2896 14.5786 14.5786 14.6756 14.6756 15.5185 15.5185
16.3505 16.3505 16.5422 16.5422 17.2417 17.2417 17.3615 17.3615
17.3986 17.3986 17.4831 17.4831 17.5379 17.5379 19.2781 19.2781
20.3153 20.3153 20.5157 20.5157 20.7296 20.7296 21.9242 21.9242
22.7572 22.7572
k = 0.0000 0.1923-0.0000 ( 3347 PWs) bands (ev):
-55.1338 -55.1338 -55.0577 -55.0577 -55.0507 -55.0507 -26.6671 -26.6671
-26.6470 -26.6470 -26.4235 -26.4235 -17.4128 -17.4128 -17.0914 -17.0914
-17.0629 -17.0629 -16.7521 -16.7521 -16.6206 -16.6206 -16.5756 -16.5756
0.6373 0.6373 2.9487 2.9487 3.8585 3.8585 4.1306 4.1306
12.5805 12.5805 13.1445 13.1445 13.7451 13.7451 14.0881 14.0881
14.2624 14.2624 14.4362 14.4362 14.6885 14.6885 15.3688 15.3688
16.3681 16.3681 16.5614 16.5614 17.3180 17.3180 17.3544 17.3544
17.3666 17.3666 17.4328 17.4328 17.5534 17.5534 19.2492 19.2492
20.3315 20.3315 20.6227 20.6227 20.8225 20.8225 22.0659 22.0659
22.8026 22.8026
k = 0.0000 0.2051-0.0000 ( 3347 PWs) bands (ev):
-55.1329 -55.1329 -55.0586 -55.0586 -55.0507 -55.0507 -26.6671 -26.6671
-26.6444 -26.6444 -26.4263 -26.4263 -17.4074 -17.4074 -17.0911 -17.0911
-17.0589 -17.0589 -16.7541 -16.7541 -16.6297 -16.6297 -16.5788 -16.5788
0.6744 0.6744 2.9775 2.9775 3.8618 3.8618 4.1677 4.1677
12.4787 12.4787 13.1201 13.1201 13.7098 13.7098 14.0478 14.0478
14.2355 14.2355 14.2957 14.2957 14.7021 14.7021 15.2187 15.2187
16.3815 16.3815 16.5759 16.5759 17.2806 17.2806 17.3335 17.3335
17.3800 17.3800 17.4382 17.4382 17.6168 17.6168 19.2190 19.2190
20.3457 20.3457 20.7294 20.7294 20.9175 20.9175 22.2026 22.2026
22.8262 22.8263
k = 0.0000 0.2179-0.0000 ( 3347 PWs) bands (ev):
-55.1319 -55.1319 -55.0596 -55.0596 -55.0507 -55.0507 -26.6671 -26.6671
-26.6418 -26.6418 -26.4292 -26.4292 -17.4018 -17.4018 -17.0907 -17.0907
-17.0548 -17.0548 -16.7562 -16.7562 -16.6391 -16.6391 -16.5821 -16.5821
0.7129 0.7129 3.0072 3.0072 3.8654 3.8654 4.2062 4.2062
12.3740 12.3740 13.0957 13.0957 13.6750 13.6750 14.0022 14.0022
14.1623 14.1623 14.2087 14.2087 14.7160 14.7160 15.0692 15.0692
16.3914 16.3914 16.5863 16.5863 17.2273 17.2273 17.2874 17.2874
17.3359 17.3359 17.5398 17.5398 17.7024 17.7024 19.1877 19.1877
20.3585 20.3585 20.8353 20.8353 21.0132 21.0132 22.3334 22.3334
22.7816 22.7816
k = 0.0000 0.2308-0.0000 ( 3347 PWs) bands (ev):
-55.1309 -55.1309 -55.0606 -55.0606 -55.0507 -55.0507 -26.6672 -26.6672
-26.6389 -26.6389 -26.4322 -26.4322 -17.3960 -17.3960 -17.0902 -17.0902
-17.0506 -17.0506 -16.7585 -16.7585 -16.6489 -16.6489 -16.5854 -16.5854
0.7525 0.7525 3.0376 3.0376 3.8693 3.8693 4.2460 4.2460
12.2675 12.2675 13.0714 13.0714 13.6403 13.6403 13.9351 13.9351
14.0536 14.0536 14.1818 14.1818 14.7302 14.7302 14.9216 14.9216
16.3983 16.3983 16.5934 16.5934 17.1750 17.1750 17.2383 17.2383
17.2928 17.2928 17.6493 17.6493 17.7992 17.7992 19.1557 19.1557
20.3705 20.3705 20.9400 20.9400 21.1082 21.1082 22.4576 22.4576
22.7330 22.7330
k = 0.0000 0.2436-0.0000 ( 3347 PWs) bands (ev):
-55.1299 -55.1299 -55.0617 -55.0617 -55.0507 -55.0507 -26.6672 -26.6672
-26.6359 -26.6359 -26.4354 -26.4354 -17.3899 -17.3899 -17.0897 -17.0897
-17.0461 -17.0461 -16.7609 -16.7609 -16.6590 -16.6590 -16.5888 -16.5888
0.7930 0.7930 3.0683 3.0683 3.8735 3.8735 4.2867 4.2867
12.1599 12.1599 13.0473 13.0473 13.6048 13.6048 13.8287 13.8287
13.9891 13.9891 14.1545 14.1545 14.7427 14.7427 14.7790 14.7790
16.4028 16.4028 16.5978 16.5978 17.1245 17.1245 17.1892 17.1892
17.2519 17.2519 17.7641 17.7641 17.9034 17.9034 19.1234 19.1234
20.3819 20.3819 21.0427 21.0427 21.2014 21.2014 22.5728 22.5728
22.6827 22.6827
k = 0.0000 0.2564-0.0000 ( 3351 PWs) bands (ev):
-55.1288 -55.1288 -55.0627 -55.0627 -55.0507 -55.0507 -26.6673 -26.6673
-26.6329 -26.6329 -26.4387 -26.4387 -17.3838 -17.3838 -17.0891 -17.0891
-17.0415 -17.0415 -16.7634 -16.7634 -16.6693 -16.6693 -16.5921 -16.5921
0.8341 0.8341 3.0993 3.0993 3.8779 3.8779 4.3283 4.3283
12.0520 12.0520 13.0238 13.0238 13.5643 13.5643 13.7093 13.7093
13.9476 13.9476 14.1258 14.1258 14.6351 14.6351 14.7612 14.7612
16.4053 16.4053 16.6000 16.6000 17.0760 17.0760 17.1413 17.1413
17.2134 17.2134 17.8831 17.8831 18.0131 18.0131 19.0911 19.0911
20.3928 20.3928 21.1430 21.1430 21.2917 21.2917 22.6124 22.6124
22.6973 22.6973
k = 0.0000 0.2692-0.0000 ( 3351 PWs) bands (ev):
-55.1277 -55.1277 -55.0639 -55.0639 -55.0507 -55.0507 -26.6673 -26.6673
-26.6297 -26.6297 -26.4421 -26.4421 -17.3775 -17.3775 -17.0884 -17.0884
-17.0368 -17.0368 -16.7661 -16.7661 -16.6798 -16.6798 -16.5955 -16.5955
0.8757 0.8757 3.1303 3.1303 3.8826 3.8826 4.3703 4.3703
11.9447 11.9447 13.0008 13.0008 13.5017 13.5017 13.6102 13.6102
13.9134 13.9134 14.0942 14.0942 14.5019 14.5019 14.7759 14.7759
16.4063 16.4063 16.6006 16.6006 17.0298 17.0298 17.0951 17.0951
17.1772 17.1772 18.0057 18.0057 18.1271 18.1271 19.0592 19.0592
20.4034 20.4034 21.2398 21.2398 21.3777 21.3777 22.5561 22.5561
22.7970 22.7970
k = 0.0000 0.2821-0.0000 ( 3358 PWs) bands (ev):
-55.1265 -55.1265 -55.0650 -55.0650 -55.0507 -55.0507 -26.6673 -26.6673
-26.6265 -26.6265 -26.4456 -26.4456 -17.3711 -17.3711 -17.0876 -17.0876
-17.0320 -17.0320 -16.7689 -16.7689 -16.6906 -16.6906 -16.5988 -16.5988
0.9174 0.9174 3.1610 3.1610 3.8877 3.8877 4.4126 4.4126
11.8388 11.8388 12.9786 12.9786 13.3986 13.3986 13.5544 13.5544
13.8826 13.8826 14.0564 14.0564 14.3792 14.3792 14.7910 14.7910
16.4059 16.4059 16.5997 16.5997 16.9860 16.9860 17.0509 17.0509
17.1431 17.1431 18.1314 18.1314 18.2441 18.2441 19.0284 19.0284
20.4136 20.4136 21.3322 21.3322 21.4577 21.4577 22.4929 22.4929
22.7592 22.7592
k = 0.0000 0.2949-0.0000 ( 3366 PWs) bands (ev):
-55.1254 -55.1254 -55.0662 -55.0662 -55.0507 -55.0507 -26.6674 -26.6674
-26.6231 -26.6231 -26.4491 -26.4491 -17.3647 -17.3647 -17.0867 -17.0867
-17.0271 -17.0271 -16.7719 -16.7719 -16.7013 -16.7013 -16.6021 -16.6021
0.9590 0.9590 3.1913 3.1913 3.8930 3.8930 4.4549 4.4549
11.7349 11.7349 12.9572 12.9572 13.2793 13.2793 13.5196 13.5196
13.8540 13.8540 14.0060 14.0060 14.2740 14.2740 14.8060 14.8060
16.4045 16.4045 16.5979 16.5979 16.9446 16.9446 17.0089 17.0089
17.1113 17.1113 18.2599 18.2599 18.3629 18.3629 18.9997 18.9997
20.4236 20.4236 21.4187 21.4187 21.5296 21.5296 22.4273 22.4273
22.7097 22.7097
k = 0.0000 0.3077-0.0000 ( 3362 PWs) bands (ev):
-55.1242 -55.1242 -55.0674 -55.0674 -55.0507 -55.0507 -26.6674 -26.6674
-26.6198 -26.6198 -26.4527 -26.4527 -17.3584 -17.3584 -17.0856 -17.0856
-17.0222 -17.0222 -16.7750 -16.7750 -16.7120 -16.7120 -16.6052 -16.6052
1.0002 1.0002 3.2208 3.2208 3.8985 3.8985 4.4969 4.4969
11.6337 11.6337 12.9369 12.9369 13.1589 13.1589 13.4915 13.4915
13.8272 13.8272 13.9359 13.9359 14.1943 14.1943 14.8209 14.8209
16.4021 16.4021 16.5952 16.5952 16.9059 16.9059 16.9694 16.9694
17.0816 17.0816 18.3907 18.3907 18.4813 18.4813 18.9750 18.9750
20.4332 20.4332 21.4972 21.4972 21.5907 21.5907 22.3616 22.3616
22.6612 22.6612
k = 0.0000 0.3205-0.0000 ( 3354 PWs) bands (ev):
-55.1230 -55.1230 -55.0686 -55.0686 -55.0507 -55.0507 -26.6674 -26.6674
-26.6163 -26.6163 -26.4563 -26.4563 -17.3520 -17.3520 -17.0845 -17.0845
-17.0171 -17.0171 -16.7781 -16.7781 -16.7227 -16.7227 -16.6083 -16.6083
1.0407 1.0407 3.2494 3.2494 3.9044 3.9044 4.5383 4.5383
11.5361 11.5361 12.9176 12.9176 13.0417 13.0417 13.4667 13.4667
13.8021 13.8021 13.8464 13.8464 14.1402 14.1402 14.8356 14.8356
16.3990 16.3990 16.5919 16.5919 16.8698 16.8698 16.9322 16.9322
17.0540 17.0540 18.5235 18.5235 18.5948 18.5948 18.9585 18.9585
20.4424 20.4424 21.5641 21.5641 21.6377 21.6377 22.2991 22.2991
22.6177 22.6177
k = 0.0000 0.3333-0.0000 ( 3354 PWs) bands (ev):
-55.1218 -55.1218 -55.0698 -55.0698 -55.0507 -55.0507 -26.6674 -26.6674
-26.6128 -26.6128 -26.4600 -26.4600 -17.3458 -17.3458 -17.0832 -17.0832
-17.0121 -17.0121 -16.7814 -16.7814 -16.7333 -16.7333 -16.6112 -16.6112
1.0802 1.0802 3.2769 3.2769 3.9105 3.9105 4.5789 4.5789
11.4424 11.4424 12.8996 12.8996 12.9291 12.9291 13.4443 13.4443
13.7464 13.7464 13.7784 13.7784 14.1034 14.1034 14.8499 14.8499
16.3953 16.3953 16.5881 16.5881 16.8365 16.8365 16.8976 16.8976
17.0284 17.0284 18.6580 18.6580 18.6917 18.6917 18.9618 18.9618
20.4513 20.4513 21.6141 21.6141 21.6666 21.6666 22.2450 22.2450
22.5833 22.5833
k = 0.0000 0.3462-0.0000 ( 3354 PWs) bands (ev):
-55.1206 -55.1206 -55.0710 -55.0710 -55.0506 -55.0506 -26.6675 -26.6675
-26.6094 -26.6094 -26.4636 -26.4636 -17.3397 -17.3397 -17.0819 -17.0819
-17.0071 -17.0071 -16.7847 -16.7847 -16.7437 -16.7437 -16.6140 -16.6140
1.1185 1.1185 3.3029 3.3029 3.9167 3.9167 4.6181 4.6181
11.3533 11.3533 12.8221 12.8221 12.8829 12.8829 13.4239 13.4239
13.6440 13.6440 13.7563 13.7563 14.0763 14.0763 14.8637 14.8637
16.3910 16.3910 16.5840 16.5840 16.8059 16.8059 16.8657 16.8657
17.0048 17.0048 18.7491 18.7491 18.7938 18.7938 19.0079 19.0079
20.4598 20.4598 21.6395 21.6395 21.6740 21.6740 22.2066 22.2066
22.5615 22.5615
k = 0.0000 0.3590-0.0000 ( 3350 PWs) bands (ev):
-55.1194 -55.1194 -55.0722 -55.0722 -55.0506 -55.0506 -26.6675 -26.6675
-26.6059 -26.6059 -26.4672 -26.4672 -17.3338 -17.3338 -17.0804 -17.0804
-17.0022 -17.0022 -16.7880 -16.7880 -16.7539 -16.7539 -16.6166 -16.6166
1.1551 1.1551 3.3274 3.3274 3.9231 3.9231 4.6559 4.6559
11.2694 11.2694 12.7214 12.7214 12.8677 12.8677 13.4053 13.4053
13.5438 13.5438 13.7358 13.7358 14.0548 14.0548 14.8769 14.8769
16.3864 16.3864 16.5797 16.5797 16.7780 16.7780 16.8364 16.8364
16.9832 16.9832 18.7624 18.7624 18.9307 18.9307 19.1009 19.1009
20.4678 20.4678 21.6332 21.6332 21.6576 21.6576 22.1910 22.1910
22.5543 22.5543
k = 0.0000 0.3718-0.0000 ( 3346 PWs) bands (ev):
-55.1182 -55.1182 -55.0733 -55.0733 -55.0506 -55.0506 -26.6675 -26.6675
-26.6025 -26.6025 -26.4708 -26.4708 -17.3282 -17.3282 -17.0788 -17.0788
-16.9975 -16.9975 -16.7914 -16.7914 -16.7636 -16.7636 -16.6190 -16.6190
1.1898 1.1898 3.3501 3.3501 3.9296 3.9296 4.6918 4.6918
11.1911 11.1911 12.6276 12.6276 12.8540 12.8540 13.3885 13.3885
13.4481 13.4481 13.7168 13.7168 14.0369 14.0369 14.8894 14.8894
16.3814 16.3814 16.5753 16.5753 16.7530 16.7530 16.8098 16.8098
16.9635 16.9635 18.7542 18.7542 19.0684 19.0684 19.2185 19.2185
20.4753 20.4753 21.5942 21.5942 21.6182 21.6182 22.1990 22.1990
22.5611 22.5611
k = 0.0000 0.3846-0.0000 ( 3346 PWs) bands (ev):
-55.1170 -55.1170 -55.0745 -55.0745 -55.0506 -55.0506 -26.6675 -26.6675
-26.5992 -26.5992 -26.4743 -26.4743 -17.3229 -17.3229 -17.0772 -17.0772
-16.9929 -16.9929 -16.7947 -16.7947 -16.7729 -16.7729 -16.6212 -16.6212
1.2224 1.2224 3.3709 3.3709 3.9360 3.9360 4.7255 4.7255
11.1189 11.1189 12.5410 12.5410 12.8419 12.8419 13.3585 13.3585
13.3735 13.3735 13.6994 13.6994 14.0216 14.0216 14.9011 14.9011
16.3764 16.3764 16.5707 16.5707 16.7307 16.7307 16.7860 16.7860
16.9458 16.9458 18.7388 18.7388 19.2066 19.2066 19.3461 19.3461
20.4823 20.4823 21.5286 21.5286 21.5585 21.5585 22.2242 22.2242
22.5789 22.5789
k = 0.0000 0.3974-0.0000 ( 3354 PWs) bands (ev):
-55.1159 -55.1159 -55.0756 -55.0756 -55.0506 -55.0506 -26.6676 -26.6676
-26.5960 -26.5960 -26.4776 -26.4776 -17.3180 -17.3180 -17.0756 -17.0756
-16.9885 -16.9885 -16.7979 -16.7979 -16.7817 -16.7817 -16.6233 -16.6233
1.2524 1.2524 3.3897 3.3897 3.9422 3.9422 4.7566 4.7566
11.0532 11.0532 12.4623 12.4623 12.8316 12.8316 13.2759 13.2759
13.3600 13.3600 13.6836 13.6836 14.0084 14.0084 14.9118 14.9118
16.3713 16.3713 16.5663 16.5663 16.7110 16.7110 16.7649 16.7649
16.9300 16.9300 18.7215 18.7215 19.3449 19.3449 19.4783 19.4783
20.4887 20.4887 21.4446 21.4446 21.4821 21.4821 22.2585 22.2585
22.6040 22.6040
k = 0.0000 0.4103-0.0000 ( 3362 PWs) bands (ev):
-55.1149 -55.1149 -55.0767 -55.0767 -55.0507 -55.0507 -26.6676 -26.6676
-26.5930 -26.5930 -26.4808 -26.4808 -17.3136 -17.3136 -17.0739 -17.0739
-16.9844 -16.9844 -16.8010 -16.8010 -16.7898 -16.7898 -16.6251 -16.6251
1.2796 1.2796 3.4064 3.4064 3.9482 3.9482 4.7850 4.7850
10.9944 10.9944 12.3917 12.3917 12.8232 12.8232 13.2007 13.2007
13.3483 13.3483 13.6696 13.6696 13.9971 13.9971 14.9216 14.9216
16.3664 16.3664 16.5619 16.5619 16.6940 16.6940 16.7465 16.7465
16.9161 16.9161 18.7044 18.7044 19.4830 19.4830 19.6129 19.6129
20.4944 20.4944 21.3483 21.3483 21.3927 21.3927 22.2959 22.2959
22.6328 22.6328
k = 0.0000 0.4231-0.0000 ( 3362 PWs) bands (ev):
-55.1139 -55.1139 -55.0776 -55.0776 -55.0506 -55.0506 -26.6677 -26.6677
-26.5902 -26.5902 -26.4837 -26.4837 -17.3096 -17.3096 -17.0723 -17.0723
-16.9806 -16.9806 -16.8038 -16.8038 -16.7972 -16.7972 -16.6267 -16.6267
1.3038 1.3038 3.4210 3.4210 3.9537 3.9537 4.8102 4.8102
10.9428 10.9428 12.3297 12.3297 12.8169 12.8169 13.1336 13.1336
13.3382 13.3382 13.6573 13.6573 13.9875 13.9875 14.9303 14.9303
16.3617 16.3617 16.5578 16.5578 16.6795 16.6795 16.7309 16.7309
16.9041 16.9041 18.6886 18.6886 19.6203 19.6203 19.7485 19.7485
20.4996 20.4996 21.2437 21.2437 21.2931 21.2931 22.3324 22.3324
22.6623 22.6623
k = 0.0000 0.4359-0.0000 ( 3362 PWs) bands (ev):
-55.1130 -55.1130 -55.0785 -55.0785 -55.0506 -55.0506 -26.6677 -26.6677
-26.5876 -26.5876 -26.4863 -26.4863 -17.3061 -17.3061 -17.0708 -17.0708
-16.9773 -16.9773 -16.8064 -16.8064 -16.8036 -16.8036 -16.6280 -16.6280
1.3247 1.3247 3.4333 3.4333 3.9587 3.9587 4.8321 4.8321
10.8986 10.8986 12.2766 12.2766 12.8127 12.8127 13.0748 13.0748
13.3297 13.3297 13.6468 13.6468 13.9794 13.9794 14.9378 14.9378
16.3575 16.3575 16.5540 16.5540 16.6674 16.6674 16.7178 16.7178
16.8940 16.8940 18.6746 18.6746 19.7561 19.7561 19.8845 19.8845
20.5040 20.5040 21.1336 21.1336 21.1857 21.1857 22.3657 22.3657
22.6902 22.6902
k = 0.0000 0.4487-0.0000 ( 3370 PWs) bands (ev):
-55.1123 -55.1123 -55.0793 -55.0793 -55.0507 -55.0507 -26.6677 -26.6677
-26.5854 -26.5854 -26.4886 -26.4886 -17.3032 -17.3032 -17.0695 -17.0695
-16.9744 -16.9744 -16.8091 -16.8091 -16.8086 -16.8086 -16.6291 -16.6291
1.3422 1.3422 3.4434 3.4434 3.9630 3.9630 4.8503 4.8503
10.8621 10.8621 12.2327 12.2327 12.8108 12.8108 13.0246 13.0246
13.3228 13.3228 13.6382 13.6382 13.9729 13.9729 14.9440 14.9440
16.3538 16.3538 16.5507 16.5507 16.6577 16.6577 16.7073 16.7073
16.8857 16.8857 18.6628 18.6628 19.8894 19.8894 20.0201 20.0201
20.5079 20.5079 21.0203 21.0203 21.0722 21.0722 22.3944 22.3944
22.7150 22.7150
k = 0.0000 0.4615-0.0000 ( 3378 PWs) bands (ev):
-55.1116 -55.1116 -55.0799 -55.0799 -55.0507 -55.0507 -26.6678 -26.6678
-26.5836 -26.5836 -26.4905 -26.4905 -17.3009 -17.3009 -17.0684 -17.0684
-16.9722 -16.9722 -16.8135 -16.8135 -16.8104 -16.8104 -16.6300 -16.6300
1.3559 1.3559 3.4512 3.4512 3.9665 3.9665 4.8647 4.8647
10.8336 10.8336 12.1983 12.1983 12.8110 12.8110 12.9835 12.9835
13.3174 13.3174 13.6314 13.6314 13.9678 13.9678 14.9489 14.9489
16.3508 16.3508 16.5480 16.5480 16.6502 16.6502 16.6993 16.6993
16.8793 16.8793 18.6535 18.6535 20.0181 20.0181 20.1542 20.1542
20.5112 20.5112 20.9066 20.9066 20.9542 20.9542 22.4175 22.4175
22.7353 22.7353
k = 0.0000 0.4744-0.0000 ( 3362 PWs) bands (ev):
-55.1111 -55.1111 -55.0804 -55.0804 -55.0507 -55.0507 -26.6678 -26.6678
-26.5823 -26.5823 -26.4918 -26.4918 -17.2993 -17.2993 -17.0675 -17.0675
-16.9705 -16.9705 -16.8167 -16.8167 -16.8117 -16.8117 -16.6305 -16.6305
1.3659 1.3659 3.4569 3.4569 3.9691 3.9691 4.8751 4.8751
10.8131 10.8131 12.1736 12.1736 12.8129 12.8129 12.9523 12.9523
13.3136 13.3136 13.6266 13.6266 13.9642 13.9642 14.9524 14.9524
16.3486 16.3486 16.5459 16.5459 16.6450 16.6450 16.6937 16.6937
16.8747 16.8747 18.6467 18.6467 20.1376 20.1376 20.2850 20.2850
20.5146 20.5146 20.7976 20.7976 20.8336 20.8336 22.4343 22.4343
22.7504 22.7504
k = 0.0000 0.4872-0.0000 ( 3362 PWs) bands (ev):
-55.1109 -55.1109 -55.0806 -55.0806 -55.0507 -55.0507 -26.6678 -26.6678
-26.5814 -26.5814 -26.4926 -26.4926 -17.2983 -17.2983 -17.0670 -17.0670
-16.9694 -16.9694 -16.8186 -16.8186 -16.8126 -16.8126 -16.6309 -16.6309
1.3719 1.3719 3.4602 3.4602 3.9706 3.9706 4.8814 4.8814
10.8007 10.8007 12.1587 12.1587 12.8154 12.8154 12.9322 12.9322
13.3113 13.3113 13.6237 13.6237 13.9621 13.9621 14.9546 14.9546
16.3472 16.3472 16.5447 16.5447 16.6419 16.6419 16.6903 16.6903
16.8719 16.8719 18.6425 18.6425 20.2354 20.2354 20.4048 20.4048
20.5218 20.5218 20.7060 20.7060 20.7147 20.7147 22.4446 22.4446
22.7597 22.7597
k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev):
-55.1108 -55.1108 -55.0807 -55.0807 -55.0507 -55.0507 -26.6678 -26.6678
-26.5811 -26.5811 -26.4929 -26.4929 -17.2979 -17.2979 -17.0668 -17.0668
-16.9691 -16.9691 -16.8193 -16.8193 -16.8128 -16.8128 -16.6310 -16.6310
1.3739 1.3739 3.4613 3.4613 3.9712 3.9712 4.8835 4.8835
10.7966 10.7966 12.1538 12.1538 12.8165 12.8165 12.9251 12.9251
13.3105 13.3105 13.6227 13.6227 13.9613 13.9613 14.9553 14.9553
16.3467 16.3467 16.5442 16.5442 16.6408 16.6408 16.6892 16.6892
16.8710 16.8710 18.6411 18.6411 20.2782 20.2782 20.4644 20.4644
20.5449 20.5449 20.6347 20.6347 20.6653 20.6653 22.4480 22.4480
22.7628 22.7628
k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev):
-55.1108 -55.1108 -55.0807 -55.0807 -55.0507 -55.0507 -26.6678 -26.6678
-26.5811 -26.5811 -26.4929 -26.4929 -17.2979 -17.2979 -17.0668 -17.0668
-16.9691 -16.9691 -16.8193 -16.8193 -16.8128 -16.8128 -16.6310 -16.6310
1.3739 1.3739 3.4613 3.4613 3.9712 3.9712 4.8835 4.8835
10.7966 10.7966 12.1538 12.1538 12.8165 12.8165 12.9251 12.9251
13.3105 13.3105 13.6227 13.6227 13.9613 13.9613 14.9553 14.9553
16.3467 16.3467 16.5442 16.5442 16.6408 16.6408 16.6892 16.6892
16.8710 16.8710 18.6411 18.6411 20.2782 20.2782 20.4644 20.4644
20.5449 20.5449 20.6347 20.6347 20.6653 20.6653 22.4480 22.4480
22.7628 22.7628
k = 0.0128 0.5000-0.0000 ( 3366 PWs) bands (ev):
-55.1107 -55.1107 -55.0807 -55.0807 -55.0507 -55.0507 -26.6677 -26.6677
-26.5812 -26.5812 -26.4930 -26.4930 -17.2980 -17.2980 -17.0668 -17.0668
-16.9693 -16.9693 -16.8237 -16.8237 -16.8082 -16.8082 -16.6311 -16.6311
1.3753 1.3753 3.4627 3.4627 3.9722 3.9722 4.8840 4.8840
10.7953 10.7953 12.1526 12.1526 12.8077 12.8077 12.9288 12.9288
13.3094 13.3094 13.6218 13.6218 13.9601 13.9601 14.9548 14.9548
16.3364 16.3364 16.5294 16.5294 16.6411 16.6411 16.6871 16.6871
16.8846 16.8846 18.6473 18.6473 20.2735 20.2735 20.4665 20.4665
20.5471 20.5471 20.6440 20.6440 20.6648 20.6648 22.4471 22.4471
22.7610 22.7610
k = 0.0256 0.5000-0.0000 ( 3378 PWs) bands (ev):
-55.1107 -55.1107 -55.0808 -55.0808 -55.0508 -55.0508 -26.6675 -26.6675
-26.5812 -26.5812 -26.4933 -26.4933 -17.2981 -17.2981 -17.0666 -17.0666
-16.9700 -16.9700 -16.8300 -16.8300 -16.8012 -16.8012 -16.6315 -16.6315
1.3795 1.3795 3.4666 3.4666 3.9752 3.9752 4.8855 4.8855
10.7912 10.7912 12.1491 12.1491 12.7844 12.7844 12.9368 12.9368
13.3060 13.3060 13.6190 13.6190 13.9566 13.9566 14.9533 14.9533
16.3060 16.3060 16.4954 16.4954 16.6234 16.6234 16.6922 16.6922
16.9222 16.9222 18.6656 18.6656 20.2623 20.2623 20.4708 20.4708
20.5504 20.5504 20.6612 20.6612 20.6766 20.6766 22.4445 22.4445
22.7560 22.7560
k = 0.0385 0.5000-0.0000 ( 3378 PWs) bands (ev):
-55.1106 -55.1106 -55.0808 -55.0808 -55.0509 -55.0509 -26.6672 -26.6672
-26.5812 -26.5812 -26.4937 -26.4937 -17.2983 -17.2983 -17.0663 -17.0663
-16.9712 -16.9712 -16.8362 -16.8362 -16.7939 -16.7939 -16.6321 -16.6321
1.3866 1.3866 3.4732 3.4732 3.9801 3.9801 4.8880 4.8880
10.7846 10.7846 12.1428 12.1428 12.7519 12.7519 12.9444 12.9444
13.3005 13.3005 13.6143 13.6143 13.9510 13.9510 14.9508 14.9508
16.2579 16.2579 16.4537 16.4537 16.5764 16.5764 16.7112 16.7112
16.9762 16.9762 18.6954 18.6954 20.2494 20.2494 20.4747 20.4747
20.5505 20.5505 20.6605 20.6605 20.7283 20.7283 22.4407 22.4407
22.7493 22.7493
k = 0.0513 0.5000-0.0000 ( 3366 PWs) bands (ev):
-55.1104 -55.1104 -55.0807 -55.0807 -55.0510 -55.0510 -26.6667 -26.6667
-26.5813 -26.5813 -26.4942 -26.4942 -17.2985 -17.2985 -17.0658 -17.0658
-16.9728 -16.9728 -16.8420 -16.8420 -16.7863 -16.7863 -16.6328 -16.6328
1.3965 1.3965 3.4824 3.4824 3.9870 3.9870 4.8915 4.8915
10.7753 10.7753 12.1335 12.1335 12.7133 12.7133 12.9491 12.9491
13.2927 13.2927 13.6074 13.6074 13.9436 13.9436 14.9472 14.9472
16.1958 16.1958 16.4077 16.4077 16.5068 16.5068 16.7392 16.7392
17.0399 17.0399 18.7359 18.7359 20.2383 20.2383 20.4777 20.4777
20.5462 20.5462 20.6605 20.6605 20.7985 20.7985 22.4364 22.4364
22.7421 22.7421
k = 0.0641 0.5000-0.0000 ( 3358 PWs) bands (ev):
-55.1102 -55.1102 -55.0807 -55.0807 -55.0512 -55.0512 -26.6661 -26.6661
-26.5813 -26.5813 -26.4949 -26.4949 -17.2988 -17.2988 -17.0653 -17.0653
-16.9749 -16.9749 -16.8474 -16.8474 -16.7787 -16.7787 -16.6338 -16.6338
1.4091 1.4091 3.4941 3.4941 3.9958 3.9958 4.8961 4.8961
10.7636 10.7636 12.1203 12.1203 12.6710 12.6710 12.9499 12.9499
13.2828 13.2828 13.5979 13.5979 13.9350 13.9350 14.9425 14.9425
16.1235 16.1235 16.3571 16.3571 16.4197 16.4197 16.7746 16.7746
17.1093 17.1093 18.7859 18.7859 20.2308 20.2308 20.4804 20.4804
20.5385 20.5385 20.6630 20.6630 20.8818 20.8818 22.4322 22.4322
22.7352 22.7352
k = 0.0769 0.5000-0.0000 ( 3360 PWs) bands (ev):
-55.1099 -55.1099 -55.0807 -55.0807 -55.0515 -55.0515 -26.6654 -26.6654
-26.5814 -26.5814 -26.4957 -26.4957 -17.2992 -17.2992 -17.0646 -17.0646
-16.9775 -16.9775 -16.8524 -16.8524 -16.7712 -16.7712 -16.6349 -16.6349
1.4245 1.4245 3.5083 3.5083 4.0064 4.0064 4.9017 4.9017
10.7493 10.7493 12.1023 12.1023 12.6266 12.6266 12.9467 12.9467
13.2707 13.2707 13.5854 13.5854 13.9258 13.9258 14.9366 14.9366
16.0436 16.0436 16.2952 16.2952 16.3247 16.3247 16.8172 16.8172
17.1822 17.1822 18.8443 18.8443 20.2274 20.2274 20.4830 20.4830
20.5292 20.5292 20.6682 20.6682 20.9743 20.9743 22.4285 22.4285
22.7292 22.7292
k = 0.0897 0.5000-0.0000 ( 3360 PWs) bands (ev):
-55.1096 -55.1096 -55.0807 -55.0807 -55.0518 -55.0518 -26.6646 -26.6646
-26.5815 -26.5815 -26.4967 -26.4967 -17.2997 -17.2997 -17.0639 -17.0639
-16.9805 -16.9805 -16.8568 -16.8568 -16.7637 -16.7637 -16.6362 -16.6362
1.4425 1.4425 3.5250 3.5250 4.0187 4.0187 4.9085 4.9085
10.7327 10.7327 12.0782 12.0782 12.5821 12.5821 12.9395 12.9395
13.2564 13.2564 13.5696 13.5696 13.9166 13.9166 14.9294 14.9294
15.9578 15.9578 16.1925 16.1925 16.2542 16.2542 16.8668 16.8668
17.2572 17.2572 18.9097 18.9097 20.2283 20.2283 20.4854 20.4854
20.5205 20.5205 20.6763 20.6763 21.0728 21.0728 22.4257 22.4257
22.7242 22.7242
k = 0.1026 0.5000-0.0000 ( 3360 PWs) bands (ev):
-55.1092 -55.1092 -55.0807 -55.0807 -55.0522 -55.0522 -26.6637 -26.6637
-26.5816 -26.5816 -26.4978 -26.4978 -17.3002 -17.3002 -17.0631 -17.0631
-16.9840 -16.9840 -16.8607 -16.8607 -16.7563 -16.7563 -16.6376 -16.6376
1.4631 1.4631 3.5440 3.5440 4.0326 4.0326 4.9164 4.9164
10.7139 10.7139 12.0467 12.0467 12.5392 12.5392 12.9286 12.9286
13.2400 13.2400 13.5502 13.5502 13.9080 13.9080 14.9208 14.9208
15.8670 15.8670 16.0682 16.0682 16.1921 16.1921 16.9230 16.9230
17.3337 17.3337 18.9811 18.9811 20.2333 20.2333 20.4871 20.4871
20.5153 20.5153 20.6869 20.6869 21.1749 21.1749 22.4239 22.4239
22.7204 22.7204
k = 0.1154 0.5000-0.0000 ( 3358 PWs) bands (ev):
-55.1088 -55.1088 -55.0807 -55.0807 -55.0526 -55.0526 -26.6626 -26.6626
-26.5817 -26.5817 -26.4991 -26.4991 -17.3007 -17.3007 -17.0622 -17.0622
-16.9879 -16.9879 -16.8641 -16.8641 -16.7491 -16.7491 -16.6390 -16.6390
1.4862 1.4862 3.5653 3.5653 4.0481 4.0481 4.9255 4.9255
10.6929 10.6929 12.0064 12.0064 12.5000 12.5000 12.9145 12.9145
13.2215 13.2215 13.5269 13.5269 13.9006 13.9006 14.9108 14.9108
15.7716 15.7716 15.9354 15.9354 16.1285 16.1285 16.9856 16.9856
17.4111 17.4111 19.0572 19.0572 20.2419 20.2419 20.4873 20.4873
20.5160 20.5160 20.6998 20.6998 21.2784 21.2784 22.4230 22.4230
22.7179 22.7179
k = 0.1282 0.5000-0.0000 ( 3362 PWs) bands (ev):
-55.1084 -55.1084 -55.0807 -55.0807 -55.0530 -55.0530 -26.6614 -26.6614
-26.5819 -26.5819 -26.5005 -26.5005 -17.3013 -17.3013 -17.0613 -17.0613
-16.9922 -16.9922 -16.8670 -16.8670 -16.7422 -16.7422 -16.6405 -16.6405
1.5118 1.5118 3.5888 3.5888 4.0649 4.0649 4.9359 4.9359
10.6699 10.6699 11.9564 11.9564 12.4655 12.4655 12.8976 12.8976
13.2010 13.2010 13.4996 13.4996 13.8946 13.8946 14.8990 14.8990
15.6713 15.6713 15.7979 15.7979 16.0630 16.0630 17.0543 17.0543
17.4890 17.4890 19.1370 19.1370 20.2533 20.2533 20.4876 20.4876
20.5230 20.5230 20.7149 20.7149 21.3817 21.3817 22.4231 22.4231
22.7169 22.7169
k = 0.1410 0.5000-0.0000 ( 3358 PWs) bands (ev):
-55.1079 -55.1079 -55.0807 -55.0807 -55.0535 -55.0535 -26.6601 -26.6601
-26.5820 -26.5820 -26.5021 -26.5021 -17.3019 -17.3019 -17.0603 -17.0603
-16.9967 -16.9967 -16.8694 -16.8694 -16.7356 -16.7356 -16.6420 -16.6420
1.5396 1.5396 3.6143 3.6143 4.0830 4.0830 4.9475 4.9475
10.6450 10.6450 11.8966 11.8966 12.4365 12.4365 12.8783 12.8783
13.1786 13.1786 13.4685 13.4685 13.8904 13.8904 14.8850 14.8850
15.5644 15.5644 15.6601 15.6601 15.9962 15.9962 17.1289 17.1289
17.5671 17.5671 19.2195 19.2195 20.2669 20.2669 20.4908 20.4908
20.5352 20.5352 20.7321 20.7321 21.4834 21.4834 22.4240 22.4240
22.7176 22.7176
k = 0.1538 0.5000-0.0000 ( 3354 PWs) bands (ev):
-55.1073 -55.1073 -55.0807 -55.0807 -55.0541 -55.0541 -26.6586 -26.6586
-26.5822 -26.5822 -26.5037 -26.5037 -17.3026 -17.3026 -17.0593 -17.0593
-17.0015 -17.0015 -16.8713 -16.8713 -16.7295 -16.7295 -16.6432 -16.6432
1.5697 1.5697 3.6418 3.6418 4.1021 4.1021 4.9606 4.9606
10.6184 10.6184 11.8276 11.8276 12.4128 12.4128 12.8570 12.8570
13.1543 13.1543 13.4338 13.4338 13.8880 13.8880 14.8682 14.8682
15.4472 15.4472 15.5287 15.5287 15.9285 15.9285 17.2089 17.2089
17.6450 17.6450 19.3039 19.3039 20.2815 20.2815 20.4984 20.4984
20.5523 20.5523 20.7513 20.7513 21.5822 21.5822 22.4255 22.4255
22.7202 22.7202
k = 0.1667 0.5000-0.0000 ( 3356 PWs) bands (ev):
-55.1067 -55.1067 -55.0807 -55.0807 -55.0546 -55.0546 -26.6571 -26.6571
-26.5823 -26.5823 -26.5056 -26.5056 -17.3032 -17.3032 -17.0584 -17.0584
-17.0065 -17.0065 -16.8728 -16.8728 -16.7239 -16.7239 -16.6443 -16.6443
1.6019 1.6019 3.6710 3.6710 4.1222 4.1222 4.9750 4.9750
10.5902 10.5902 11.7505 11.7505 12.3936 12.3936 12.8343 12.8343
13.1283 13.1283 13.3959 13.3959 13.8873 13.8873 14.8468 14.8468
15.3183 15.3183 15.4084 15.4084 15.8603 15.8603 17.2941 17.2941
17.7224 17.7224 19.3893 19.3893 20.2961 20.2961 20.5115 20.5115
20.5748 20.5748 20.7725 20.7725 21.6774 21.6774 22.4276 22.4276
22.7249 22.7249
k = 0.1795 0.5000-0.0000 ( 3356 PWs) bands (ev):
-55.1061 -55.1061 -55.0807 -55.0807 -55.0553 -55.0553 -26.6554 -26.6554
-26.5825 -26.5825 -26.5075 -26.5075 -17.3039 -17.3039 -17.0574 -17.0574
-17.0117 -17.0117 -16.8739 -16.8739 -16.7191 -16.7191 -16.6449 -16.6449
1.6359 1.6359 3.7019 3.7019 4.1430 4.1430 4.9909 4.9909
10.5606 10.5606 11.6667 11.6667 12.3783 12.3783 12.8105 12.8105
13.1009 13.1009 13.3550 13.3550 13.8882 13.8882 14.8170 14.8170
15.1865 15.1865 15.2962 15.2962 15.7921 15.7921 17.3841 17.3841
17.7990 17.7990 19.4749 19.4749 20.3098 20.3098 20.5303 20.5303
20.6030 20.6030 20.7956 20.7956 21.7684 21.7684 22.4300 22.4300
22.7319 22.7319
k = 0.1923 0.5000-0.0000 ( 3356 PWs) bands (ev):
-55.1054 -55.1054 -55.0807 -55.0807 -55.0559 -55.0559 -26.6537 -26.6537
-26.5827 -26.5827 -26.5096 -26.5096 -17.3045 -17.3045 -17.0566 -17.0566
-17.0169 -17.0169 -16.8746 -16.8746 -16.7151 -16.7151 -16.6450 -16.6450
1.6718 1.6718 3.7342 3.7342 4.1645 4.1645 5.0082 5.0082
10.5296 10.5296 11.5775 11.5775 12.3659 12.3659 12.7859 12.7859
13.0721 13.0721 13.3115 13.3115 13.8907 13.8907 14.7704 14.7704
15.0662 15.0662 15.1878 15.1878 15.7241 15.7241 17.4786 17.4786
17.8745 17.8745 19.5599 19.5599 20.3219 20.3219 20.5551 20.5551
20.6371 20.6371 20.8207 20.8207 21.8549 21.8549 22.4329 22.4329
22.7414 22.7414
k = 0.2051 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.1047 -55.1047 -55.0807 -55.0807 -55.0566 -55.0566 -26.6518 -26.6518
-26.5828 -26.5828 -26.5118 -26.5118 -17.3051 -17.3051 -17.0558 -17.0558
-17.0220 -17.0220 -16.8750 -16.8750 -16.7121 -16.7121 -16.6445 -16.6445
1.7093 1.7093 3.7678 3.7678 4.1863 4.1863 5.0272 5.0272
10.4976 10.4976 11.4840 11.4840 12.3558 12.3558 12.7608 12.7608
13.0423 13.0423 13.2660 13.2660 13.8946 13.8946 14.6935 14.6935
14.9741 14.9741 15.0815 15.0815 15.6567 15.6567 17.5773 17.5773
17.9485 17.9485 19.6438 19.6438 20.3324 20.3324 20.5856 20.5856
20.6770 20.6770 20.8476 20.8476 21.9365 21.9365 22.4363 22.4363
22.7532 22.7532
k = 0.2179 0.5000-0.0000 ( 3344 PWs) bands (ev):
-55.1040 -55.1040 -55.0807 -55.0807 -55.0574 -55.0574 -26.6498 -26.6498
-26.5830 -26.5830 -26.5140 -26.5140 -17.3058 -17.3058 -17.0552 -17.0552
-17.0271 -17.0271 -16.8750 -16.8750 -16.7101 -16.7101 -16.6432 -16.6432
1.7483 1.7483 3.8024 3.8024 4.2084 4.2084 5.0476 5.0476
10.4646 10.4646 11.3875 11.3875 12.3474 12.3474 12.7356 12.7356
13.0116 13.0116 13.2188 13.2188 13.8997 13.8997 14.5829 14.5829
14.9151 14.9151 14.9774 14.9774 15.5902 15.5902 17.6798 17.6798
18.0209 18.0209 19.7257 19.7257 20.3413 20.3413 20.6213 20.6213
20.7221 20.7221 20.8765 20.8765 22.0132 22.0132 22.4404 22.4404
22.7673 22.7673
k = 0.2308 0.5000-0.0000 ( 3344 PWs) bands (ev):
-55.1032 -55.1032 -55.0807 -55.0807 -55.0582 -55.0582 -26.6477 -26.6477
-26.5832 -26.5832 -26.5164 -26.5164 -17.3064 -17.3064 -17.0548 -17.0548
-17.0319 -17.0319 -16.8748 -16.8748 -16.7092 -16.7092 -16.6412 -16.6412
1.7885 1.7885 3.8379 3.8379 4.2307 4.2307 5.0696 5.0696
10.4307 10.4307 11.2887 11.2887 12.3402 12.3402 12.7106 12.7106
12.9801 12.9801 13.1702 13.1702 13.9059 13.9059 14.4518 14.4518
14.8657 14.8657 14.8872 14.8872 15.5247 15.5247 17.7859 17.7859
18.0911 18.0911 19.8052 19.8052 20.3491 20.3491 20.6619 20.6619
20.7717 20.7717 20.9075 20.9075 22.0850 22.0850 22.4452 22.4452
22.7831 22.7831
k = 0.2436 0.5000-0.0000 ( 3344 PWs) bands (ev):
-55.1024 -55.1024 -55.0807 -55.0807 -55.0590 -55.0590 -26.6455 -26.6455
-26.5834 -26.5834 -26.5190 -26.5190 -17.3070 -17.3070 -17.0549 -17.0549
-17.0362 -17.0362 -16.8743 -16.8743 -16.7093 -16.7093 -16.6385 -16.6385
1.8297 1.8297 3.8738 3.8738 4.2529 4.2529 5.0931 5.0931
10.3962 10.3962 11.1887 11.1887 12.3340 12.3340 12.6858 12.6858
12.9482 12.9482 13.1207 13.1207 13.9131 13.9131 14.3127 14.3127
14.7707 14.7707 14.8552 14.8552 15.4605 15.4605 17.8951 17.8951
18.1592 18.1592 19.8815 19.8815 20.3561 20.3561 20.7066 20.7066
20.8245 20.8245 20.9408 20.9408 22.1517 22.1517 22.4508 22.4508
22.7991 22.7991
k = 0.2564 0.5000-0.0000 ( 3344 PWs) bands (ev):
-55.1015 -55.1015 -55.0807 -55.0807 -55.0598 -55.0598 -26.6432 -26.6432
-26.5836 -26.5836 -26.5216 -26.5216 -17.3076 -17.3076 -17.0558 -17.0558
-17.0397 -17.0397 -16.8736 -16.8736 -16.7102 -16.7102 -16.6352 -16.6352
1.8717 1.8717 3.9100 3.9100 4.2750 4.2750 5.1180 5.1180
10.3612 10.3612 11.0883 11.0883 12.3285 12.3285 12.6616 12.6616
12.9158 12.9158 13.0705 13.0705 13.9211 13.9211 14.1718 14.1718
14.6732 14.6732 14.8334 14.8334 15.3978 15.3978 18.0073 18.0073
18.2247 18.2247 19.9541 19.9541 20.3630 20.3630 20.7547 20.7547
20.8790 20.8790 20.9773 20.9773 22.2132 22.2132 22.4567 22.4567
22.8021 22.8021
k = 0.2692 0.5000-0.0000 ( 3342 PWs) bands (ev):
-55.1006 -55.1006 -55.0807 -55.0807 -55.0607 -55.0607 -26.6408 -26.6408
-26.5838 -26.5838 -26.5243 -26.5243 -17.3081 -17.3081 -17.0577 -17.0577
-17.0421 -17.0421 -16.8727 -16.8727 -16.7119 -16.7119 -16.6316 -16.6316
1.9143 1.9143 3.9462 3.9462 4.2968 4.2968 5.1442 5.1442
10.3259 10.3259 10.9881 10.9881 12.3233 12.3233 12.6381 12.6381
12.8832 12.8832 13.0200 13.0200 13.9289 13.9289 14.0332 14.0332
14.5785 14.5785 14.8147 14.8147 15.3366 15.3366 18.1218 18.1218
18.2875 18.2875 20.0224 20.0224 20.3702 20.3702 20.8052 20.8052
20.9329 20.9329 21.0186 21.0186 22.2693 22.2693 22.4609 22.4609
22.7631 22.7631
k = 0.2821 0.5000-0.0000 ( 3338 PWs) bands (ev):
-55.0997 -55.0997 -55.0807 -55.0807 -55.0616 -55.0616 -26.6383 -26.6383
-26.5839 -26.5839 -26.5271 -26.5271 -17.3086 -17.3086 -17.0605 -17.0605
-17.0434 -17.0434 -16.8716 -16.8716 -16.7141 -16.7141 -16.6277 -16.6277
1.9572 1.9572 3.9821 3.9821 4.3184 4.3184 5.1716 5.1716
10.2904 10.2904 10.8889 10.8889 12.3185 12.3185 12.6155 12.6155
12.8504 12.8504 12.9695 12.9695 13.8890 13.8890 13.9461 13.9461
14.4873 14.4873 14.7978 14.7978 15.2771 15.2771 18.2381 18.2381
18.3478 18.3478 20.0859 20.0859 20.3784 20.3784 20.8562 20.8562
20.9841 20.9841 21.0667 21.0667 22.3197 22.3197 22.4590 22.4590
22.7187 22.7187
k = 0.2949 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0987 -55.0987 -55.0807 -55.0807 -55.0626 -55.0626 -26.6358 -26.6358
-26.5841 -26.5841 -26.5300 -26.5300 -17.3092 -17.3092 -17.0641 -17.0641
-17.0439 -17.0439 -16.8704 -16.8704 -16.7167 -16.7167 -16.6236 -16.6236
2.0001 2.0001 4.0172 4.0172 4.3397 4.3397 5.2001 5.2001
10.2550 10.2550 10.7914 10.7914 12.3138 12.3138 12.5939 12.5939
12.8174 12.8174 12.9196 12.9196 13.7598 13.7598 13.9535 13.9535
14.4003 14.4003 14.7821 14.7821 15.2195 15.2195 18.3538 18.3538
18.4075 18.4075 20.1438 20.1438 20.3884 20.3884 20.9052 20.9052
21.0328 21.0328 21.1219 21.1219 22.3635 22.3635 22.4429 22.4429
22.6889 22.6889
k = 0.3077 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0978 -55.0978 -55.0806 -55.0806 -55.0636 -55.0636 -26.6332 -26.6332
-26.5843 -26.5843 -26.5329 -26.5329 -17.3096 -17.3096 -17.0679 -17.0679
-17.0440 -17.0440 -16.8690 -16.8690 -16.7197 -16.7197 -16.6196 -16.6196
2.0428 2.0428 4.0514 4.0514 4.3607 4.3607 5.2293 5.2293
10.2198 10.2198 10.6961 10.6961 12.3092 12.3092 12.5734 12.5734
12.7842 12.7842 12.8705 12.8705 13.6331 13.6331 13.9643 13.9643
14.3178 14.3178 14.7673 14.7673 15.1638 15.1638 18.4455 18.4455
18.4893 18.4893 20.1952 20.1952 20.4014 20.4014 20.9491 20.9491
21.0823 21.0823 21.1824 21.1824 22.3839 22.3839 22.4230 22.4230
22.6823 22.6823
k = 0.3205 0.5000-0.0000 ( 3340 PWs) bands (ev):
-55.0967 -55.0967 -55.0806 -55.0806 -55.0646 -55.0646 -26.6304 -26.6304
-26.5845 -26.5845 -26.5359 -26.5359 -17.3100 -17.3100 -17.0717 -17.0717
-17.0439 -17.0439 -16.8675 -16.8675 -16.7228 -16.7228 -16.6156 -16.6156
2.0849 2.0849 4.0841 4.0841 4.3814 4.3814 5.2590 5.2590
10.1850 10.1850 10.6039 10.6039 12.3045 12.3045 12.5541 12.5541
12.7506 12.7506 12.8228 12.8228 13.5124 13.5124 13.9759 13.9759
14.2402 14.2402 14.7533 14.7533 15.1103 15.1103 18.5003 18.5003
18.6057 18.6057 20.2389 20.2389 20.4189 20.4189 20.9852 20.9852
21.1356 21.1356 21.2456 21.2456 22.3330 22.3330 22.4506 22.4506
22.6960 22.6960
k = 0.3333 0.5000-0.0000 ( 3352 PWs) bands (ev):
-55.0957 -55.0957 -55.0806 -55.0806 -55.0656 -55.0656 -26.6277 -26.6277
-26.5846 -26.5846 -26.5390 -26.5390 -17.3105 -17.3105 -17.0755 -17.0755
-17.0437 -17.0437 -16.8659 -16.8659 -16.7260 -16.7260 -16.6117 -16.6117
2.1261 2.1261 4.1152 4.1152 4.4017 4.4017 5.2890 5.2890
10.1509 10.1509 10.5151 10.5151 12.2997 12.2997 12.5360 12.5360
12.7162 12.7162 12.7770 12.7770 13.3989 13.3989 13.9878 13.9878
14.1680 14.1680 14.7400 14.7400 15.0590 15.0590 18.5473 18.5473
18.7272 18.7272 20.2741 20.2741 20.4420 20.4420 21.0127 21.0127
21.1935 21.1935 21.3095 21.3095 22.2600 22.2600 22.4851 22.4851
22.7220 22.7220
k = 0.3462 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0946 -55.0946 -55.0806 -55.0806 -55.0667 -55.0667 -26.6248 -26.6248
-26.5848 -26.5848 -26.5421 -26.5421 -17.3108 -17.3108 -17.0790 -17.0790
-17.0435 -17.0435 -16.8642 -16.8642 -16.7293 -16.7293 -16.6080 -16.6080
2.1661 2.1661 4.1442 4.1442 4.4217 4.4217 5.3189 5.3189
10.1177 10.1177 10.4304 10.4304 12.2947 12.2947 12.5191 12.5191
12.6811 12.6811 12.7335 12.7335 13.2936 13.2936 13.9988 13.9988
14.1025 14.1025 14.7274 14.7274 15.0101 15.0101 18.5899 18.5899
18.8496 18.8496 20.3013 20.3013 20.4708 20.4708 21.0324 21.0324
21.2545 21.2545 21.3724 21.3724 22.1781 22.1781 22.5195 22.5195
22.7545 22.7545
k = 0.3590 0.5000-0.0000 ( 3340 PWs) bands (ev):
-55.0935 -55.0935 -55.0806 -55.0806 -55.0677 -55.0677 -26.6219 -26.6219
-26.5849 -26.5849 -26.5453 -26.5453 -17.3111 -17.3111 -17.0824 -17.0824
-17.0433 -17.0433 -16.8625 -16.8625 -16.7326 -16.7326 -16.6044 -16.6044
2.2046 2.2046 4.1710 4.1710 4.4414 4.4414 5.3484 5.3484
10.0856 10.0856 10.3504 10.3504 12.2897 12.2897 12.5034 12.5034
12.6451 12.6451 12.6925 12.6925 13.1974 13.1974 14.0020 14.0020
14.0507 14.0507 14.7154 14.7154 14.9638 14.9638 18.6287 18.6287
18.9717 18.9717 20.3225 20.3225 20.5038 20.5038 21.0454 21.0454
21.3167 21.3167 21.4330 21.4330 22.0915 22.0915 22.5537 22.5537
22.7900 22.7900
k = 0.3718 0.5000-0.0000 ( 3336 PWs) bands (ev):
-55.0924 -55.0924 -55.0806 -55.0806 -55.0688 -55.0688 -26.6190 -26.6190
-26.5850 -26.5850 -26.5485 -26.5485 -17.3114 -17.3114 -17.0855 -17.0855
-17.0430 -17.0430 -16.8608 -16.8608 -16.7359 -16.7359 -16.6011 -16.6011
2.2412 2.2412 4.1953 4.1953 4.4606 4.4606 5.3770 5.3770
10.0549 10.0549 10.2755 10.2755 12.2845 12.2845 12.4885 12.4885
12.6088 12.6088 12.6540 12.6540 13.1111 13.1111 13.9693 13.9693
14.0405 14.0405 14.7039 14.7039 14.9203 14.9203 18.6638 18.6638
19.0927 19.0927 20.3402 20.3402 20.5391 20.5391 21.0527 21.0527
21.3778 21.3778 21.4891 21.4891 22.0036 22.0036 22.5876 22.5876
22.8264 22.8264
k = 0.3846 0.5000-0.0000 ( 3342 PWs) bands (ev):
-55.0913 -55.0913 -55.0806 -55.0806 -55.0700 -55.0700 -26.6160 -26.6160
-26.5851 -26.5851 -26.5517 -26.5517 -17.3117 -17.3117 -17.0884 -17.0884
-17.0428 -17.0428 -16.8591 -16.8591 -16.7390 -16.7390 -16.5981 -16.5981
2.2756 2.2756 4.2170 4.2170 4.4791 4.4791 5.4045 5.4045
10.0259 10.0259 10.2063 10.2063 12.2793 12.2793 12.4740 12.4740
12.5732 12.5732 12.6176 12.6176 13.0356 13.0356 13.9220 13.9220
14.0506 14.0506 14.6929 14.6929 14.8799 14.8799 18.6953 18.6953
19.2116 19.2116 20.3568 20.3568 20.5750 20.5750 21.0550 21.0550
21.4349 21.4349 21.5378 21.5378 21.9193 21.9193 22.6211 22.6211
22.8624 22.8624
k = 0.3974 0.5000-0.0000 ( 3346 PWs) bands (ev):
-55.0902 -55.0902 -55.0806 -55.0806 -55.0711 -55.0711 -26.6130 -26.6130
-26.5851 -26.5851 -26.5551 -26.5551 -17.3119 -17.3119 -17.0910 -17.0910
-17.0427 -17.0427 -16.8574 -16.8574 -16.7421 -16.7421 -16.5953 -16.5953
2.3075 2.3075 4.2361 4.2361 4.4969 4.4969 5.4303 5.4303
9.9987 9.9987 10.1432 10.1432 12.2741 12.2741 12.4587 12.4587
12.5399 12.5399 12.5834 12.5834 12.9710 12.9710 13.8773 13.8773
14.0635 14.0635 14.6822 14.6822 14.8429 14.8429 18.7232 18.7232
19.3270 19.3270 20.3741 20.3741 20.6107 20.6107 21.0529 21.0529
21.4814 21.4814 21.5746 21.5746 21.8486 21.8486 22.6536 22.6536
22.8970 22.8970
k = 0.4103 0.5000-0.0000 ( 3340 PWs) bands (ev):
-55.0890 -55.0890 -55.0806 -55.0806 -55.0723 -55.0723 -26.6100 -26.6100
-26.5851 -26.5851 -26.5583 -26.5583 -17.3121 -17.3121 -17.0933 -17.0933
-17.0425 -17.0425 -16.8558 -16.8558 -16.7449 -16.7449 -16.5929 -16.5929
2.3365 2.3365 4.2526 4.2526 4.5135 4.5135 5.4543 5.4543
9.9736 9.9736 10.0868 10.0868 12.2694 12.2694 12.4408 12.4408
12.5112 12.5112 12.5517 12.5517 12.9172 12.9172 13.8376 13.8376
14.0768 14.0768 14.6718 14.6718 14.8097 14.8097 18.7476 18.7476
19.4373 19.4373 20.3940 20.3940 20.6455 20.6455 21.0469 21.0469
21.4963 21.4963 21.6016 21.6016 21.8091 21.8091 22.6846 22.6846
22.9294 22.9294
k = 0.4231 0.5000-0.0000 ( 3340 PWs) bands (ev):
-55.0878 -55.0878 -55.0806 -55.0806 -55.0734 -55.0734 -26.6070 -26.6070
-26.5851 -26.5851 -26.5616 -26.5616 -17.3123 -17.3123 -17.0953 -17.0953
-17.0424 -17.0424 -16.8543 -16.8543 -16.7474 -16.7474 -16.5907 -16.5907
2.3623 2.3623 4.2666 4.2666 4.5287 4.5287 5.4759 5.4759
9.9508 9.9508 10.0376 10.0376 12.2652 12.2652 12.4183 12.4183
12.4895 12.4895 12.5234 12.5234 12.8736 12.8736 13.8030 13.8030
14.0899 14.0899 14.6615 14.6615 14.7809 14.7809 18.7686 18.7686
19.5403 19.5403 20.4182 20.4182 20.6790 20.6790 21.0375 21.0375
21.4558 21.4558 21.6351 21.6351 21.8080 21.8080 22.7134 22.7134
22.9591 22.9591
k = 0.4359 0.5000-0.0000 ( 3340 PWs) bands (ev):
-55.0866 -55.0866 -55.0806 -55.0806 -55.0746 -55.0746 -26.6041 -26.6041
-26.5850 -26.5850 -26.5648 -26.5648 -17.3125 -17.3125 -17.0970 -17.0970
-17.0423 -17.0423 -16.8529 -16.8529 -16.7497 -16.7497 -16.5889 -16.5889
2.3847 2.3847 4.2781 4.2781 4.5423 4.5423 5.4948 5.4948
9.9303 9.9303 9.9959 9.9959 12.2619 12.2619 12.3919 12.3919
12.4748 12.4748 12.4992 12.4992 12.8392 12.8392 13.7738 13.7738
14.1021 14.1021 14.6512 14.6512 14.7569 14.7569 18.7862 18.7862
19.6334 19.6334 20.4482 20.4482 20.7107 20.7107 21.0253 21.0253
21.3797 21.3797 21.6724 21.6724 21.8277 21.8277 22.7393 22.7393
22.9855 22.9855
k = 0.4487 0.5000-0.0000 ( 3352 PWs) bands (ev):
-55.0855 -55.0855 -55.0806 -55.0806 -55.0758 -55.0758 -26.6014 -26.6014
-26.5848 -26.5848 -26.5680 -26.5680 -17.3126 -17.3126 -17.0985 -17.0985
-17.0422 -17.0422 -16.8518 -16.8518 -16.7516 -16.7516 -16.5874 -16.5874
2.4034 2.4034 4.2874 4.2874 4.5538 4.5538 5.5108 5.5108
9.9122 9.9122 9.9624 9.9624 12.2601 12.2601 12.3644 12.3644
12.4650 12.4650 12.4795 12.4795 12.8127 12.8127 13.7499 13.7499
14.1131 14.1131 14.6410 14.6410 14.7379 14.7379 18.8005 18.8005
19.7136 19.7136 20.4856 20.4856 20.7403 20.7403 21.0105 21.0105
21.2912 21.2912 21.7065 21.7065 21.8527 21.8527 22.7617 22.7617
23.0079 23.0079
k = 0.4615 0.5000-0.0000 ( 3342 PWs) bands (ev):
-55.0843 -55.0843 -55.0806 -55.0806 -55.0770 -55.0770 -26.5989 -26.5989
-26.5843 -26.5843 -26.5710 -26.5710 -17.3127 -17.3127 -17.0996 -17.0996
-17.0422 -17.0422 -16.8508 -16.8508 -16.7532 -16.7532 -16.5862 -16.5862
2.4182 2.4182 4.2944 4.2944 4.5630 4.5630 5.5235 5.5235
9.8965 9.8965 9.9374 9.9374 12.2601 12.2601 12.3387 12.3387
12.4578 12.4578 12.4650 12.4650 12.7933 12.7933 13.7314 13.7314
14.1224 14.1224 14.6316 14.6316 14.7240 14.7240 18.8116 18.8116
19.7782 19.7782 20.5301 20.5301 20.7676 20.7676 20.9929 20.9929
21.2028 21.2028 21.7344 21.7344 21.8757 21.8757 22.7799 22.7799
23.0259 23.0259
k = 0.4744 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0831 -55.0831 -55.0806 -55.0806 -55.0782 -55.0782 -26.5969 -26.5969
-26.5836 -26.5836 -26.5739 -26.5739 -17.3127 -17.3127 -17.1003 -17.1003
-17.0421 -17.0421 -16.8501 -16.8501 -16.7543 -16.7543 -16.5853 -16.5853
2.4289 2.4289 4.2994 4.2994 4.5698 4.5698 5.5327 5.5327
9.8840 9.8840 9.9207 9.9207 12.2624 12.2624 12.3167 12.3167
12.4506 12.4506 12.4572 12.4572 12.7799 12.7799 13.7182 13.7182
14.1295 14.1295 14.6239 14.6239 14.7146 14.7146 18.8195 18.8195
19.8250 19.8250 20.5783 20.5783 20.7923 20.7923 20.9710 20.9710
21.1251 21.1251 21.7550 21.7550 21.8937 21.8937 22.7934 22.7934
23.0390 23.0390
k = 0.4872 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0818 -55.0818 -55.0806 -55.0806 -55.0794 -55.0794 -26.5956 -26.5956
-26.5826 -26.5826 -26.5762 -26.5762 -17.3128 -17.3128 -17.1008 -17.1008
-17.0421 -17.0421 -16.8497 -16.8497 -16.7550 -16.7550 -16.5848 -16.5848
2.4354 2.4354 4.3023 4.3023 4.5739 4.5739 5.5383 5.5383
9.8756 9.8756 9.9113 9.9113 12.2667 12.2667 12.3000 12.3000
12.4449 12.4449 12.4542 12.4542 12.7721 12.7721 13.7103 13.7103
14.1340 14.1340 14.6188 14.6188 14.7093 14.7093 18.8242 18.8242
19.8532 19.8532 20.6202 20.6202 20.8141 20.8141 20.9432 20.9432
21.0728 21.0728 21.7676 21.7676 21.9051 21.9051 22.8017 22.8017
23.0470 23.0470
k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5951 -26.5951
-26.5820 -26.5820 -26.5773 -26.5773 -17.3128 -17.3128 -17.1010 -17.1010
-17.0421 -17.0421 -16.8495 -16.8495 -16.7553 -16.7553 -16.5846 -16.5846
2.4375 2.4375 4.3033 4.3033 4.5753 4.5753 5.5402 5.5402
9.8727 9.8727 9.9083 9.9083 12.2700 12.2700 12.2925 12.2925
12.4429 12.4429 12.4533 12.4533 12.7696 12.7696 13.7076 13.7076
14.1355 14.1355 14.6170 14.6170 14.7075 14.7075 18.8258 18.8258
19.8626 19.8626 20.6378 20.6378 20.8257 20.8257 20.9257 20.9257
21.0554 21.0554 21.7718 21.7718 21.9089 21.9089 22.8045 22.8045
23.0497 23.0497
k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5951 -26.5951
-26.5820 -26.5820 -26.5773 -26.5773 -17.3128 -17.3128 -17.1010 -17.1010
-17.0421 -17.0421 -16.8495 -16.8495 -16.7553 -16.7553 -16.5846 -16.5846
2.4375 2.4375 4.3033 4.3033 4.5753 4.5753 5.5402 5.5402
9.8727 9.8727 9.9083 9.9083 12.2700 12.2700 12.2925 12.2925
12.4429 12.4429 12.4533 12.4533 12.7696 12.7696 13.7076 13.7076
14.1355 14.1355 14.6170 14.6170 14.7075 14.7075 18.8258 18.8258
19.8626 19.8626 20.6378 20.6378 20.8257 20.8257 20.9257 20.9257
21.0554 21.0554 21.7718 21.7718 21.9089 21.9089 22.8045 22.8045
23.0497 23.0497
k = 0.4907 0.4907-0.0000 ( 3348 PWs) bands (ev):
-55.0819 -55.0819 -55.0806 -55.0806 -55.0794 -55.0794 -26.5956 -26.5956
-26.5827 -26.5827 -26.5762 -26.5762 -17.3128 -17.3128 -17.1008 -17.1008
-17.0421 -17.0421 -16.8497 -16.8497 -16.7550 -16.7550 -16.5848 -16.5848
2.4353 2.4353 4.3023 4.3023 4.5738 4.5738 5.5382 5.5382
9.8758 9.8758 9.9114 9.9114 12.2667 12.2667 12.3003 12.3003
12.4450 12.4450 12.4542 12.4542 12.7722 12.7722 13.7104 13.7104
14.1339 14.1339 14.6188 14.6188 14.7094 14.7094 18.8242 18.8242
19.8529 19.8529 20.6187 20.6187 20.8139 20.8139 20.9453 20.9453
21.0726 21.0726 21.7672 21.7672 21.9051 21.9051 22.8016 22.8016
23.0469 23.0469
k = 0.4815 0.4815-0.0000 ( 3350 PWs) bands (ev):
-55.0832 -55.0832 -55.0805 -55.0805 -55.0782 -55.0782 -26.5969 -26.5969
-26.5838 -26.5838 -26.5737 -26.5737 -17.3128 -17.3128 -17.1003 -17.1003
-17.0421 -17.0421 -16.8501 -16.8501 -16.7543 -16.7543 -16.5854 -16.5854
2.4285 2.4285 4.2992 4.2992 4.5695 4.5695 5.5324 5.5324
9.8849 9.8849 9.9208 9.9208 12.2626 12.2626 12.3175 12.3175
12.4514 12.4514 12.4569 12.4569 12.7802 12.7802 13.7186 13.7186
14.1293 14.1293 14.6239 14.6239 14.7151 14.7151 18.8193 18.8193
19.8247 19.8247 20.5673 20.5673 20.7945 20.7945 20.9867 20.9867
21.1180 21.1180 21.7513 21.7513 21.8962 21.8962 22.7929 22.7929
23.0383 23.0383
k = 0.4722 0.4722-0.0000 ( 3342 PWs) bands (ev):
-55.0844 -55.0844 -55.0804 -55.0804 -55.0770 -55.0770 -26.5989 -26.5989
-26.5847 -26.5847 -26.5706 -26.5706 -17.3127 -17.3127 -17.0995 -17.0995
-17.0422 -17.0422 -16.8508 -16.8508 -16.7531 -16.7531 -16.5862 -16.5862
2.4173 2.4173 4.2941 4.2941 4.5625 4.5625 5.5226 5.5226
9.8998 9.8998 9.9366 9.9366 12.2615 12.2615 12.3403 12.3403
12.4614 12.4614 12.4624 12.4624 12.7934 12.7934 13.7323 13.7323
14.1221 14.1221 14.6311 14.6311 14.7257 14.7257 18.8112 18.8112
19.7803 19.7803 20.4959 20.4959 20.7770 20.7770 21.0378 21.0378
21.1791 21.1791 21.7199 21.7199 21.8881 21.8881 22.7787 22.7787
23.0239 23.0239
k = 0.4630 0.4630-0.0000 ( 3342 PWs) bands (ev):
-55.0858 -55.0858 -55.0802 -55.0802 -55.0759 -55.0759 -26.6012 -26.6012
-26.5856 -26.5856 -26.5672 -26.5672 -17.3126 -17.3126 -17.0984 -17.0984
-17.0422 -17.0422 -16.8517 -16.8517 -16.7516 -16.7516 -16.5874 -16.5874
2.4017 2.4017 4.2867 4.2867 4.5527 4.5527 5.5091 5.5091
9.9202 9.9202 9.9591 9.9591 12.2638 12.2638 12.3677 12.3677
12.4682 12.4682 12.4778 12.4778 12.8117 12.8117 13.7514 13.7514
14.1128 14.1128 14.6388 14.6388 14.7420 14.7420 18.7999 18.7999
19.7228 19.7228 20.4135 20.4135 20.7607 20.7607 21.0963 21.0963
21.2450 21.2450 21.6715 21.6715 21.8854 21.8854 22.7593 22.7593
23.0039 23.0039
k = 0.4537 0.4537-0.0000 ( 3342 PWs) bands (ev):
-55.0871 -55.0871 -55.0800 -55.0800 -55.0748 -55.0748 -26.6038 -26.6038
-26.5864 -26.5864 -26.5637 -26.5637 -17.3126 -17.3126 -17.0970 -17.0970
-17.0422 -17.0422 -16.8528 -16.8528 -16.7497 -16.7497 -16.5889 -16.5889
2.3819 2.3819 4.2772 4.2772 4.5406 4.5406 5.4919 5.4919
9.9456 9.9456 9.9884 9.9884 12.2696 12.2696 12.3988 12.3988
12.4772 12.4772 12.4986 12.4986 12.8351 12.8351 13.7759 13.7759
14.1021 14.1021 14.6458 14.6458 14.7645 14.7645 18.7855 18.7855
19.6551 19.6551 20.3249 20.3249 20.7443 20.7443 21.1608 21.1608
21.3049 21.3049 21.6129 21.6129 21.8887 21.8887 22.7350 22.7350
22.9789 22.9789
k = 0.4444 0.4444-0.0000 ( 3346 PWs) bands (ev):
-55.0885 -55.0885 -55.0797 -55.0797 -55.0737 -55.0737 -26.6064 -26.6064
-26.5873 -26.5873 -26.5599 -26.5599 -17.3125 -17.3125 -17.0954 -17.0954
-17.0422 -17.0422 -16.8539 -16.8539 -16.7475 -16.7475 -16.5907 -16.5907
2.3579 2.3579 4.2653 4.2653 4.5262 4.5262 5.4712 5.4712
9.9759 9.9759 10.0246 10.0246 12.2786 12.2786 12.4325 12.4325
12.4890 12.4890 12.5252 12.5252 12.8634 12.8634 13.8056 13.8056
14.0906 14.0906 14.6517 14.6517 14.7932 14.7932 18.7681 18.7681
19.5796 19.5796 20.2324 20.2324 20.7269 20.7269 21.2294 21.2294
21.3367 21.3367 21.5670 21.5670 21.8971 21.8971 22.7062 22.7062
22.9495 22.9495
k = 0.4352 0.4352-0.0000 ( 3341 PWs) bands (ev):
-55.0899 -55.0899 -55.0794 -55.0794 -55.0726 -55.0726 -26.6091 -26.6091
-26.5883 -26.5883 -26.5560 -26.5560 -17.3125 -17.3125 -17.0935 -17.0935
-17.0422 -17.0422 -16.8551 -16.8551 -16.7452 -16.7452 -16.5926 -16.5926
2.3299 2.3299 4.2509 4.2509 4.5100 4.5100 5.4470 5.4470
10.0109 10.0109 10.0675 10.0675 12.2907 12.2907 12.4662 12.4662
12.5052 12.5052 12.5589 12.5589 12.8965 12.8965 13.8404 13.8404
14.0787 14.0787 14.6567 14.6567 14.8273 14.8273 18.7479 18.7479
19.4984 19.4984 20.1372 20.1372 20.7080 20.7080 21.2890 21.2890
21.3137 21.3137 21.5732 21.5732 21.9097 21.9097 22.6731 22.6731
22.9164 22.9164
k = 0.4259 0.4259-0.0000 ( 3351 PWs) bands (ev):
-55.0913 -55.0913 -55.0790 -55.0790 -55.0716 -55.0716 -26.6118 -26.6118
-26.5893 -26.5893 -26.5520 -26.5520 -17.3126 -17.3126 -17.0915 -17.0915
-17.0421 -17.0421 -16.8561 -16.8561 -16.7428 -16.7428 -16.5948 -16.5948
2.2982 2.2982 4.2339 4.2339 4.4923 4.4923 5.4197 5.4197
10.0505 10.0505 10.1169 10.1169 12.3057 12.3057 12.4955 12.4955
12.5293 12.5293 12.6004 12.6004 12.9342 12.9342 13.8803 13.8803
14.0670 14.0670 14.6611 14.6611 14.8660 14.8660 18.7250 18.7250
19.4130 19.4130 20.0400 20.0400 20.6874 20.6874 21.2073 21.2073
21.3774 21.3774 21.6221 21.6221 21.9261 21.9261 22.6361 22.6361
22.8802 22.8802
k = 0.4167 0.4167-0.0000 ( 3351 PWs) bands (ev):
-55.0927 -55.0927 -55.0786 -55.0786 -55.0706 -55.0706 -26.6144 -26.6144
-26.5905 -26.5905 -26.5479 -26.5479 -17.3128 -17.3128 -17.0894 -17.0894
-17.0419 -17.0419 -16.8570 -16.8570 -16.7404 -16.7404 -16.5970 -16.5970
2.2629 2.2629 4.2141 4.2141 4.4733 4.4733 5.3894 5.3894
10.0947 10.0947 10.1724 10.1724 12.3232 12.3232 12.5187 12.5187
12.5627 12.5627 12.6499 12.6499 12.9765 12.9765 13.9249 13.9249
14.0559 14.0559 14.6650 14.6650 14.9089 14.9089 18.6995 18.6995
19.3246 19.3246 19.9413 19.9413 20.6649 20.6649 21.0905 21.0905
21.4514 21.4514 21.6843 21.6843 21.9464 21.9464 22.5955 22.5955
22.8415 22.8415
k = 0.4074 0.4074-0.0000 ( 3337 PWs) bands (ev):
-55.0941 -55.0941 -55.0782 -55.0782 -55.0696 -55.0696 -26.6169 -26.6169
-26.5917 -26.5917 -26.5438 -26.5438 -17.3130 -17.3130 -17.0872 -17.0872
-17.0415 -17.0415 -16.8577 -16.8577 -16.7380 -16.7380 -16.5993 -16.5993
2.2243 2.2243 4.1914 4.1914 4.4535 4.4535 5.3563 5.3563
10.1435 10.1435 10.2338 10.2338 12.3431 12.3431 12.5403 12.5403
12.6016 12.6016 12.7070 12.7070 13.0233 13.0233 13.9738 13.9738
14.0461 14.0461 14.6687 14.6687 14.9553 14.9553 18.6716 18.6716
19.2341 19.2341 19.8413 19.8413 20.6400 20.6400 20.9601 20.9601
21.5255 21.5255 21.7479 21.7479 21.9711 21.9711 22.5519 22.5519
22.8008 22.8008
k = 0.3981 0.3981-0.0000 ( 3339 PWs) bands (ev):
-55.0956 -55.0956 -55.0777 -55.0777 -55.0687 -55.0687 -26.6194 -26.6194
-26.5931 -26.5931 -26.5395 -26.5395 -17.3134 -17.3134 -17.0851 -17.0851
-17.0410 -17.0410 -16.8581 -16.8581 -16.7357 -16.7357 -16.6016 -16.6016
2.1825 2.1825 4.1657 4.1657 4.4332 4.4332 5.3205 5.3205
10.1968 10.1968 10.3006 10.3006 12.3652 12.3652 12.5628 12.5628
12.6441 12.6441 12.7706 12.7706 13.0743 13.0743 14.0210 14.0210
14.0436 14.0436 14.6723 14.6723 15.0050 15.0050 18.6416 18.6416
19.1423 19.1423 19.7404 19.7404 20.6119 20.6119 20.8219 20.8219
21.5987 21.5987 21.8083 21.8083 22.0009 22.0009 22.5057 22.5057
22.7587 22.7587
k = 0.3889 0.3889-0.0000 ( 3347 PWs) bands (ev):
-55.0970 -55.0970 -55.0771 -55.0771 -55.0678 -55.0678 -26.6218 -26.6218
-26.5945 -26.5945 -26.5352 -26.5352 -17.3140 -17.3140 -17.0832 -17.0832
-17.0402 -17.0402 -16.8582 -16.8582 -16.7336 -16.7336 -16.6038 -16.6038
2.1378 2.1378 4.1370 4.1370 4.4125 4.4125 5.2825 5.2825
10.2546 10.2546 10.3725 10.3725 12.3892 12.3892 12.5871 12.5871
12.6899 12.6899 12.8401 12.8401 13.1296 13.1296 14.0245 14.0245
14.0903 14.0903 14.6760 14.6760 15.0575 15.0575 18.6095 18.6095
19.0497 19.0497 19.6385 19.6385 20.5750 20.5750 20.6841 20.6841
21.6703 21.6703 21.8623 21.8623 22.0366 22.0366 22.4578 22.4578
22.7159 22.7159
k = 0.3796 0.3796-0.0000 ( 3349 PWs) bands (ev):
-55.0985 -55.0985 -55.0766 -55.0766 -55.0669 -55.0669 -26.6242 -26.6242
-26.5961 -26.5961 -26.5309 -26.5309 -17.3148 -17.3148 -17.0815 -17.0815
-17.0391 -17.0391 -16.8578 -16.8578 -16.7318 -16.7318 -16.6059 -16.6059
2.0905 2.0905 4.1054 4.1054 4.3919 4.3919 5.2422 5.2422
10.3168 10.3168 10.4492 10.4492 12.4150 12.4150 12.6136 12.6136
12.7391 12.7391 12.9147 12.9147 13.1889 13.1889 14.0185 14.0185
14.1521 14.1521 14.6797 14.6797 15.1127 15.1127 18.5756 18.5756
18.9569 18.9569 19.5359 19.5359 20.4899 20.4899 20.5879 20.5879
21.7396 21.7396 21.9076 21.9076 22.0783 22.0783 22.4092 22.4092
22.6733 22.6733
k = 0.3704 0.3704-0.0000 ( 3349 PWs) bands (ev):
-55.1000 -55.1000 -55.0759 -55.0759 -55.0660 -55.0660 -26.6265 -26.6265
-26.5977 -26.5977 -26.5264 -26.5264 -17.3158 -17.3158 -17.0802 -17.0802
-17.0377 -17.0377 -16.8569 -16.8569 -16.7302 -16.7302 -16.6076 -16.6076
2.0407 2.0407 4.0710 4.0710 4.3713 4.3713 5.2001 5.2001
10.3832 10.3832 10.5304 10.5304 12.4425 12.4425 12.6424 12.6424
12.7918 12.7918 12.9939 12.9939 13.2523 13.2523 14.0134 14.0134
14.2186 14.2186 14.6836 14.6836 15.1705 15.1705 18.5401 18.5401
18.8642 18.8642 19.4326 19.4326 20.3462 20.3462 20.5451 20.5451
21.8060 21.8060 21.9434 21.9434 22.1237 22.1237 22.3618 22.3618
22.6324 22.6324
k = 0.3611 0.3611-0.0000 ( 3353 PWs) bands (ev):
-55.1015 -55.1015 -55.0753 -55.0753 -55.0652 -55.0652 -26.6287 -26.6287
-26.5995 -26.5995 -26.5220 -26.5220 -17.3170 -17.3170 -17.0793 -17.0793
-17.0361 -17.0361 -16.8555 -16.8555 -16.7290 -16.7290 -16.6091 -16.6091
1.9888 1.9888 4.0339 4.0339 4.3508 4.3508 5.1563 5.1563
10.4537 10.4537 10.6156 10.6156 12.4715 12.4715 12.6735 12.6735
12.8480 12.8480 13.0771 13.0771 13.3195 13.3195 14.0100 14.0100
14.2887 14.2887 14.6879 14.6879 15.2305 15.2305 18.5032 18.5032
18.7720 18.7720 19.3288 19.3288 20.1900 20.1900 20.5110 20.5110
21.8687 21.8687 21.9683 21.9683 22.1688 22.1688 22.3184 22.3184
22.5956 22.5956
k = 0.3519 0.3519-0.0000 ( 3353 PWs) bands (ev):
-55.1030 -55.1030 -55.0746 -55.0746 -55.0644 -55.0644 -26.6308 -26.6308
-26.6013 -26.6013 -26.5175 -26.5175 -17.3184 -17.3184 -17.0787 -17.0787
-17.0341 -17.0341 -16.8535 -16.8535 -16.7281 -16.7281 -16.6102 -16.6102
1.9351 1.9351 3.9945 3.9945 4.3306 4.3306 5.1111 5.1111
10.5281 10.5281 10.7046 10.7046 12.5019 12.5019 12.7070 12.7070
12.9078 12.9078 13.1639 13.1639 13.3906 13.3906 14.0085 14.0085
14.3621 14.3621 14.6928 14.6928 15.2929 15.2929 18.4651 18.4651
18.6805 18.6805 19.2246 19.2246 20.0300 20.0300 20.4778 20.4778
21.9272 21.9272 21.9793 21.9793 22.2074 22.2074 22.2836 22.2836
22.5671 22.5671
k = 0.3426 0.3426-0.0000 ( 3351 PWs) bands (ev):
-55.1045 -55.1045 -55.0739 -55.0739 -55.0636 -55.0636 -26.6328 -26.6328
-26.6032 -26.6032 -26.5130 -26.5130 -17.3201 -17.3201 -17.0785 -17.0785
-17.0321 -17.0321 -16.8508 -16.8508 -16.7276 -16.7276 -16.6109 -16.6109
1.8796 1.8796 3.9530 3.9530 4.3105 4.3105 5.0646 5.0646
10.6062 10.6062 10.7971 10.7971 12.5336 12.5336 12.7428 12.7428
12.9711 12.9711 13.2535 13.2535 13.4654 13.4654 14.0093 14.0093
14.4378 14.4378 14.6990 14.6990 15.3573 15.3573 18.4261 18.4261
18.5903 18.5903 19.1200 19.1200 19.8683 19.8683 20.4443 20.4443
21.9694 21.9694 21.9832 21.9832 22.2275 22.2275 22.2672 22.2672
22.5527 22.5527
k = 0.3333 0.3333-0.0000 ( 3347 PWs) bands (ev):
-55.1060 -55.1060 -55.0732 -55.0732 -55.0628 -55.0628 -26.6348 -26.6348
-26.6052 -26.6052 -26.5085 -26.5085 -17.3221 -17.3221 -17.0786 -17.0786
-17.0300 -17.0300 -16.8475 -16.8475 -16.7275 -16.7275 -16.6111 -16.6111
1.8227 1.8227 3.9097 3.9097 4.2906 4.2906 5.0171 5.0171
10.6880 10.6880 10.8926 10.8926 12.5666 12.5666 12.7809 12.7809
13.0379 13.0379 13.3452 13.3452 13.5438 13.5438 14.0129 14.0129
14.5141 14.5141 14.7080 14.7080 15.4237 15.4237 18.3861 18.3861
18.5015 18.5015 19.0151 19.0151 19.7061 19.7061 20.4104 20.4104
21.9425 21.9425 22.0311 22.0311 22.2161 22.2161 22.2765 22.2765
22.5555 22.5555
k = 0.3241 0.3241-0.0000 ( 3351 PWs) bands (ev):
-55.1075 -55.1075 -55.0724 -55.0724 -55.0621 -55.0621 -26.6368 -26.6368
-26.6073 -26.6073 -26.5040 -26.5040 -17.3244 -17.3244 -17.0791 -17.0791
-17.0280 -17.0280 -16.8434 -16.8434 -16.7276 -16.7276 -16.6109 -16.6109
1.7647 1.7647 3.8648 3.8648 4.2709 4.2709 4.9687 4.9687
10.7732 10.7732 10.9908 10.9908 12.6008 12.6008 12.8213 12.8213
13.1081 13.1081 13.4379 13.4379 13.6258 13.6258 14.0200 14.0200
14.5860 14.5860 14.7245 14.7245 15.4921 15.4921 18.3451 18.3451
18.4148 18.4148 18.9100 18.9100 19.5441 19.5441 20.3759 20.3759
21.8978 21.8978 22.0740 22.0740 22.1900 22.1900 22.2878 22.2878
22.5516 22.5516
k = 0.3148 0.3148-0.0000 ( 3349 PWs) bands (ev):
-55.1090 -55.1090 -55.0716 -55.0716 -55.0614 -55.0614 -26.6386 -26.6386
-26.6094 -26.6094 -26.4994 -26.4994 -17.3269 -17.3269 -17.0797 -17.0797
-17.0262 -17.0262 -16.8387 -16.8387 -16.7280 -16.7280 -16.6102 -16.6102
1.7057 1.7057 3.8186 3.8186 4.2513 4.2513 4.9198 4.9198
10.8615 10.8615 11.0915 11.0915 12.6362 12.6362 12.8638 12.8638
13.1817 13.1817 13.5301 13.5301 13.7114 13.7114 14.0318 14.0318
14.6403 14.6403 14.7617 14.7617 15.5623 15.5623 18.3003 18.3003
18.3333 18.3333 18.8048 18.8048 19.3831 19.3831 20.3411 20.3411
21.8420 21.8420 22.0999 22.0999 22.1656 22.1656 22.2871 22.2871
22.5305 22.5305
k = 0.3056 0.3056-0.0000 ( 3333 PWs) bands (ev):
-55.1105 -55.1105 -55.0708 -55.0708 -55.0607 -55.0607 -26.6404 -26.6404
-26.6115 -26.6115 -26.4949 -26.4949 -17.3297 -17.3297 -17.0804 -17.0804
-17.0247 -17.0247 -16.8332 -16.8332 -16.7285 -16.7285 -16.6092 -16.6092
1.6460 1.6460 3.7714 3.7714 4.2319 4.2319 4.8704 4.8704
10.9527 10.9527 11.1942 11.1942 12.6728 12.6728 12.9085 12.9085
13.2584 13.2584 13.6196 13.6196 13.8004 13.8004 14.0501 14.0501
14.6677 14.6677 14.8285 14.8285 15.6343 15.6343 18.2353 18.2353
18.2739 18.2739 18.6996 18.6996 19.2235 19.2235 20.3059 20.3059
21.7792 21.7792 22.0747 22.0747 22.1789 22.1789 22.2665 22.2665
22.5304 22.5304
k = 0.2963 0.2963-0.0000 ( 3335 PWs) bands (ev):
-55.1120 -55.1120 -55.0700 -55.0700 -55.0601 -55.0601 -26.6421 -26.6421
-26.6137 -26.6137 -26.4904 -26.4904 -17.3329 -17.3329 -17.0813 -17.0813
-17.0237 -17.0237 -16.8270 -16.8270 -16.7291 -16.7291 -16.6078 -16.6078
1.5858 1.5858 3.7235 3.7235 4.2127 4.2127 4.8208 4.8208
11.0466 11.0466 11.2987 11.2987 12.7105 12.7105 12.9551 12.9551
13.3382 13.3382 13.7031 13.7031 13.8927 13.8927 14.0779 14.0779
14.6803 14.6803 14.9127 14.9127 15.7079 15.7079 18.1562 18.1562
18.2309 18.2309 18.5945 18.5945 19.0659 19.0659 20.2704 20.2704
21.7118 21.7118 22.0215 22.0215 22.1940 22.1940 22.2437 22.2437
22.5514 22.5514
k = 0.2870 0.2870-0.0000 ( 3331 PWs) bands (ev):
-55.1134 -55.1134 -55.0691 -55.0691 -55.0595 -55.0595 -26.6437 -26.6437
-26.6159 -26.6159 -26.4859 -26.4859 -17.3363 -17.3363 -17.0822 -17.0822
-17.0230 -17.0230 -16.8203 -16.8203 -16.7296 -16.7296 -16.6060 -16.6060
1.5253 1.5253 3.6750 3.6750 4.1935 4.1935 4.7711 4.7711
11.1429 11.1429 11.4045 11.4045 12.7494 12.7494 13.0037 13.0037
13.4208 13.4208 13.7763 13.7763 13.9878 13.9878 14.1197 14.1197
14.6875 14.6875 15.0048 15.0048 15.7831 15.7831 18.0770 18.0770
18.1906 18.1906 18.4895 18.4895 18.9108 18.9108 20.2349 20.2349
21.6411 21.6411 21.9593 21.9593 22.1535 22.1535 22.2672 22.2672
22.5848 22.5848
k = 0.2778 0.2778-0.0000 ( 3331 PWs) bands (ev):
-55.1149 -55.1149 -55.0683 -55.0683 -55.0589 -55.0589 -26.6453 -26.6453
-26.6182 -26.6182 -26.4814 -26.4814 -17.3400 -17.3400 -17.0832 -17.0832
-17.0229 -17.0229 -16.8131 -16.8131 -16.7299 -16.7299 -16.6040 -16.6040
1.4647 1.4647 3.6262 3.6262 4.1746 4.1746 4.7216 4.7216
11.2413 11.2413 11.5112 11.5112 12.7895 12.7895 13.0541 13.0541
13.5061 13.5061 13.8357 13.8357 14.0848 14.0848 14.1792 14.1792
14.6925 14.6925 15.1014 15.1014 15.8597 15.8597 17.9994 17.9994
18.1515 18.1515 18.3849 18.3849 18.7585 18.7585 20.1993 20.1993
21.5680 21.5680 21.8916 21.8916 22.0940 22.0940 22.3042 22.3042
22.6240 22.6240
k = 0.2685 0.2685-0.0000 ( 3337 PWs) bands (ev):
-55.1163 -55.1163 -55.0674 -55.0674 -55.0583 -55.0583 -26.6468 -26.6468
-26.6206 -26.6206 -26.4770 -26.4770 -17.3439 -17.3439 -17.0842 -17.0842
-17.0232 -17.0232 -16.8055 -16.8055 -16.7299 -16.7299 -16.6018 -16.6018
1.4042 1.4042 3.5773 3.5773 4.1558 4.1558 4.6723 4.6723
11.3415 11.3415 11.6186 11.6186 12.8309 12.8309 13.1062 13.1062
13.5937 13.5937 13.8812 13.8812 14.1827 14.1827 14.2571 14.2571
14.6968 14.6968 15.2013 15.2013 15.9377 15.9377 17.9241 17.9241
18.1134 18.1134 18.2809 18.2809 18.6095 18.6095 20.1639 20.1639
21.4929 21.4929 21.8197 21.8197 22.0296 22.0296 22.3430 22.3430
22.6655 22.6655
k = 0.2593 0.2593-0.0000 ( 3337 PWs) bands (ev):
-55.1178 -55.1178 -55.0666 -55.0666 -55.0578 -55.0578 -26.6483 -26.6483
-26.6230 -26.6230 -26.4727 -26.4727 -17.3481 -17.3481 -17.0852 -17.0852
-17.0241 -17.0241 -16.7978 -16.7978 -16.7294 -16.7294 -16.5994 -16.5994
1.3440 1.3440 3.5286 3.5286 4.1372 4.1372 4.6234 4.6234
11.4432 11.4432 11.7262 11.7262 12.8735 12.8735 13.1600 13.1600
13.6831 13.6831 13.9163 13.9163 14.2814 14.2814 14.3492 14.3492
14.7011 14.7011 15.3038 15.3038 16.0169 16.0169 17.8511 17.8511
18.0758 18.0758 18.1781 18.1781 18.4641 18.4641 20.1286 20.1286
21.4164 21.4164 21.7442 21.7442 21.9632 21.9632 22.3823 22.3823
22.7073 22.7073
k = 0.2500 0.2500-0.0000 ( 3333 PWs) bands (ev):
-55.1191 -55.1191 -55.0657 -55.0657 -55.0572 -55.0572 -26.6497 -26.6497
-26.6253 -26.6253 -26.4683 -26.4683 -17.3526 -17.3526 -17.0861 -17.0861
-17.0254 -17.0254 -16.7901 -16.7901 -16.7281 -16.7281 -16.5968 -16.5968
1.2843 1.2843 3.4801 3.4801 4.1189 4.1189 4.5751 4.5751
11.5461 11.5461 11.8336 11.8336 12.9174 12.9174 13.2152 13.2152
13.7735 13.7735 13.9456 13.9456 14.3817 14.3817 14.4491 14.4491
14.7069 14.7069 15.4086 15.4086 16.0972 16.0972 17.7807 17.7807
18.0356 18.0356 18.0801 18.0801 18.3229 18.3229 20.0936 20.0936
21.3386 21.3386 21.6657 21.6657 21.8956 21.8956 22.4216 22.4216
22.7484 22.7484
k = 0.2407 0.2407-0.0000 ( 3341 PWs) bands (ev):
-55.1205 -55.1205 -55.0648 -55.0648 -55.0567 -55.0567 -26.6510 -26.6510
-26.6277 -26.6277 -26.4641 -26.4641 -17.3572 -17.3572 -17.0870 -17.0870
-17.0271 -17.0271 -16.7828 -16.7828 -16.7258 -16.7258 -16.5942 -16.5942
1.2252 1.2252 3.4320 3.4320 4.1009 4.1009 4.5274 4.5274
11.6498 11.6498 11.9403 11.9403 12.9627 12.9627 13.2719 13.2719
13.8622 13.8622 13.9746 13.9746 14.4842 14.4842 14.5486 14.5486
14.7184 14.7184 15.5153 15.5153 16.1783 16.1783 17.7128 17.7128
17.9628 17.9628 18.0167 18.0167 18.1863 18.1863 20.0590 20.0590
21.2597 21.2597 21.5847 21.5847 21.8274 21.8274 22.4606 22.4606
22.7880 22.7880
k = 0.2315 0.2315-0.0000 ( 3345 PWs) bands (ev):
-55.1219 -55.1219 -55.0640 -55.0640 -55.0563 -55.0563 -26.6523 -26.6523
-26.6301 -26.6301 -26.4600 -26.4600 -17.3620 -17.3620 -17.0879 -17.0879
-17.0293 -17.0293 -16.7763 -16.7763 -16.7222 -16.7222 -16.5915 -16.5915
1.1669 1.1669 3.3846 3.3846 4.0832 4.0832 4.4807 4.4807
11.7539 11.7539 12.0459 12.0459 13.0094 13.0094 13.3299 13.3299
13.9383 13.9383 14.0159 14.0159 14.5888 14.5888 14.6290 14.6290
14.7518 14.7518 15.6238 15.6238 16.2601 16.2601 17.6475 17.6475
17.8651 17.8651 17.9798 17.9798 18.0562 18.0562 20.0248 20.0248
21.1799 21.1799 21.5015 21.5015 21.7587 21.7587 22.4992 22.4992
22.8251 22.8251
k = 0.2222 0.2222-0.0000 ( 3337 PWs) bands (ev):
-55.1232 -55.1232 -55.0631 -55.0631 -55.0558 -55.0558 -26.6535 -26.6535
-26.6324 -26.6324 -26.4559 -26.4559 -17.3670 -17.3670 -17.0886 -17.0886
-17.0318 -17.0318 -16.7707 -16.7707 -16.7171 -16.7171 -16.5887 -16.5887
1.1097 1.1097 3.3379 3.3379 4.0658 4.0658 4.4348 4.4348
11.8580 11.8580 12.1499 12.1499 13.0576 13.0576 13.3892 13.3892
13.9832 13.9832 14.0888 14.0888 14.6648 14.6648 14.6957 14.6957
14.8310 14.8310 15.7340 15.7340 16.3422 16.3422 17.5846 17.5846
17.7662 17.7662 17.9165 17.9165 17.9624 17.9624 19.9912 19.9912
21.0994 21.0994 21.4167 21.4167 21.6895 21.6895 22.5370 22.5370
22.8587 22.8587
k = 0.2130 0.2130-0.0000 ( 3333 PWs) bands (ev):
-55.1245 -55.1245 -55.0622 -55.0622 -55.0554 -55.0554 -26.6546 -26.6546
-26.6347 -26.6347 -26.4519 -26.4519 -17.3720 -17.3720 -17.0893 -17.0893
-17.0346 -17.0346 -16.7662 -16.7662 -16.7105 -16.7105 -16.5859 -16.5859
1.0535 1.0535 3.2922 3.2922 4.0488 4.0488 4.3901 4.3901
11.9617 11.9617 12.2519 12.2519 13.1074 13.1074 13.4496 13.4496
14.0105 14.0105 14.1800 14.1800 14.6766 14.6766 14.8033 14.8033
14.9356 14.9356 15.8456 15.8456 16.4242 16.4242 17.5239 17.5239
17.6688 17.6688 17.8003 17.8003 17.9301 17.9301 19.9582 19.9582
21.0181 21.0181 21.3305 21.3305 21.6198 21.6198 22.5736 22.5736
22.8869 22.8869
k = 0.2037 0.2037-0.0000 ( 3335 PWs) bands (ev):
-55.1258 -55.1258 -55.0614 -55.0614 -55.0550 -55.0550 -26.6557 -26.6557
-26.6370 -26.6370 -26.4480 -26.4480 -17.3772 -17.3772 -17.0899 -17.0899
-17.0377 -17.0377 -16.7627 -16.7627 -16.7025 -16.7025 -16.5832 -16.5832
0.9987 0.9987 3.2474 3.2474 4.0323 4.0323 4.3465 4.3465
12.0646 12.0646 12.3511 12.3511 13.1588 13.1588 13.5109 13.5109
14.0337 14.0337 14.2759 14.2759 14.6816 14.6816 14.9120 14.9120
15.0473 15.0473 15.9585 15.9585 16.5055 16.5055 17.4646 17.4646
17.5745 17.5745 17.6857 17.6857 17.9054 17.9054 19.9259 19.9259
20.9363 20.9363 21.2434 21.2434 21.5496 21.5496 22.6080 22.6080
22.9054 22.9054
k = 0.1944 0.1944-0.0000 ( 3337 PWs) bands (ev):
-55.1270 -55.1270 -55.0606 -55.0606 -55.0546 -55.0546 -26.6568 -26.6568
-26.6393 -26.6393 -26.4442 -26.4442 -17.3825 -17.3825 -17.0905 -17.0905
-17.0410 -17.0410 -16.7600 -16.7600 -16.6936 -16.6936 -16.5805 -16.5805
0.9452 0.9452 3.2039 3.2039 4.0162 4.0162 4.3042 4.3042
12.1663 12.1663 12.4471 12.4471 13.2121 13.2121 13.5731 13.5731
14.0561 14.0561 14.3723 14.3723 14.6852 14.6852 15.0210 15.0210
15.1610 15.1610 16.0725 16.0725 16.5849 16.5849 17.4051 17.4051
17.4855 17.4855 17.5777 17.5777 17.8843 17.8843 19.8944 19.8944
20.8540 20.8540 21.1556 21.1556 21.4788 21.4788 22.6383 22.6383
22.9040 22.9040
k = 0.1852 0.1852-0.0000 ( 3337 PWs) bands (ev):
-55.1282 -55.1282 -55.0598 -55.0598 -55.0542 -55.0542 -26.6577 -26.6577
-26.6415 -26.6415 -26.4406 -26.4406 -17.3878 -17.3878 -17.0909 -17.0909
-17.0445 -17.0445 -16.7578 -16.7578 -16.6840 -16.6840 -16.5778 -16.5778
0.8934 0.8934 3.1616 3.1616 4.0006 4.0006 4.2633 4.2633
12.2662 12.2662 12.5394 12.5394 13.2671 13.2671 13.6361 13.6361
14.0787 14.0787 14.4661 14.4661 14.6909 14.6909 15.1297 15.1297
15.2750 15.2750 16.1873 16.1873 16.6607 16.6607 17.3418 17.3418
17.4058 17.4058 17.4788 17.4788 17.8666 17.8666 19.8636 19.8636
20.7714 20.7714 21.0673 21.0673 21.4074 21.4074 22.6585 22.6585
22.8678 22.8678
k = 0.1759 0.1759-0.0000 ( 3341 PWs) bands (ev):
-55.1293 -55.1293 -55.0590 -55.0590 -55.0539 -55.0539 -26.6586 -26.6586
-26.6437 -26.6437 -26.4371 -26.4371 -17.3931 -17.3931 -17.0914 -17.0914
-17.0481 -17.0481 -16.7559 -16.7559 -16.6739 -16.6739 -16.5752 -16.5752
0.8432 0.8432 3.1207 3.1207 3.9855 3.9855 4.2238 4.2238
12.3639 12.3639 12.6274 12.6274 13.3240 13.3240 13.6995 13.6995
14.1020 14.1020 14.5502 14.5502 14.7055 14.7055 15.2374 15.2374
15.3885 15.3885 16.3028 16.3028 16.7291 16.7291 17.2734 17.2734
17.3364 17.3364 17.3935 17.3935 17.8524 17.8524 19.8337 19.8337
20.6884 20.6884 20.9789 20.9789 21.3355 21.3355 22.6438 22.6438
22.8130 22.8130
k = 0.1667 0.1667-0.0000 ( 3349 PWs) bands (ev):
-55.1304 -55.1304 -55.0582 -55.0582 -55.0535 -55.0535 -26.6595 -26.6595
-26.6459 -26.6459 -26.4338 -26.4338 -17.3983 -17.3983 -17.0917 -17.0917
-17.0517 -17.0517 -16.7543 -16.7543 -16.6636 -16.6636 -16.5728 -16.5728
0.7948 0.7948 3.0813 3.0813 3.9710 3.9710 4.1859 4.1859
12.4590 12.4590 12.7106 12.7106 13.3826 13.3826 13.7634 13.7634
14.1261 14.1261 14.6070 14.6070 14.7464 14.7464 15.3431 15.3431
15.5009 15.5009 16.4183 16.4183 16.7829 16.7829 17.2055 17.2055
17.2737 17.2737 17.3278 17.3278 17.8418 17.8418 19.8046 19.8046
20.6052 20.6052 20.8906 20.8906 21.2630 21.2630 22.5526 22.5526
22.7969 22.7969
k = 0.1574 0.1574-0.0000 ( 3339 PWs) bands (ev):
-55.1315 -55.1315 -55.0575 -55.0575 -55.0532 -55.0532 -26.6603 -26.6603
-26.6479 -26.6479 -26.4305 -26.4305 -17.4035 -17.4035 -17.0920 -17.0920
-17.0553 -17.0553 -16.7528 -16.7528 -16.6533 -16.6533 -16.5703 -16.5703
0.7484 0.7484 3.0435 3.0435 3.9571 3.9571 4.1496 4.1496
12.5511 12.5511 12.7887 12.7887 13.4429 13.4429 13.8274 13.8274
14.1514 14.1514 14.6291 14.6291 14.8204 14.8204 15.4457 15.4457
15.6119 15.6119 16.5332 16.5332 16.8095 16.8095 17.1415 17.1415
17.2302 17.2302 17.2801 17.2801 17.8350 17.8350 19.7765 19.7765
20.5220 20.5220 20.8026 20.8026 21.1901 21.1901 22.4107 22.4107
22.8092 22.8092
k = 0.1481 0.1481-0.0000 ( 3343 PWs) bands (ev):
-55.1325 -55.1325 -55.0568 -55.0568 -55.0529 -55.0529 -26.6610 -26.6610
-26.6499 -26.6499 -26.4274 -26.4274 -17.4086 -17.4086 -17.0923 -17.0923
-17.0589 -17.0589 -16.7513 -16.7513 -16.6431 -16.6431 -16.5680 -16.5680
0.7040 0.7040 3.0074 3.0074 3.9438 3.9438 4.1151 4.1151
12.6396 12.6396 12.8614 12.8614 13.5045 13.5045 13.8912 13.8912
14.1778 14.1778 14.6348 14.6348 14.9090 14.9090 15.5439 15.5439
15.7214 15.7214 16.6455 16.6455 16.7985 16.7985 17.0795 17.0795
17.2166 17.2166 17.2539 17.2539 17.8322 17.8322 19.7492 19.7492
20.4388 20.4388 20.7150 20.7150 21.1170 21.1170 22.2497 22.2497
22.8261 22.8261
k = 0.1389 0.1389-0.0000 ( 3343 PWs) bands (ev):
-55.1335 -55.1335 -55.0561 -55.0561 -55.0526 -55.0526 -26.6617 -26.6617
-26.6518 -26.6518 -26.4245 -26.4245 -17.4135 -17.4135 -17.0925 -17.0925
-17.0625 -17.0625 -16.7500 -16.7500 -16.6330 -16.6330 -16.5658 -16.5658
0.6617 0.6617 2.9730 2.9730 3.9311 3.9311 4.0823 4.0823
12.7243 12.7243 12.9285 12.9285 13.5670 13.5670 13.9546 13.9546
14.2054 14.2054 14.6347 14.6347 15.0011 15.0011 15.6361 15.6361
15.8291 15.8291 16.7407 16.7407 16.7647 16.7647 17.0273 17.0273
17.1937 17.1937 17.2813 17.2813 17.8336 17.8336 19.7228 19.7228
20.3558 20.3558 20.6281 20.6281 21.0438 21.0438 22.0808 22.0808
22.8384 22.8384
k = 0.1296 0.1296-0.0000 ( 3335 PWs) bands (ev):
-55.1344 -55.1344 -55.0554 -55.0554 -55.0524 -55.0524 -26.6624 -26.6624
-26.6536 -26.6536 -26.4217 -26.4217 -17.4183 -17.4183 -17.0926 -17.0926
-17.0660 -17.0660 -16.7487 -16.7487 -16.6233 -16.6233 -16.5636 -16.5636
0.6217 0.6217 2.9405 2.9405 3.9192 3.9192 4.0513 4.0513
12.8047 12.8047 12.9902 12.9902 13.6297 13.6297 14.0173 14.0173
14.2343 14.2343 14.6322 14.6322 15.0928 15.0928 15.7206 15.7206
15.9348 15.9348 16.6919 16.6919 16.8281 16.8281 17.0093 17.0093
17.1668 17.1668 17.3400 17.3400 17.8391 17.8391 19.6972 19.6972
20.2732 20.2732 20.5420 20.5420 20.9709 20.9709 21.9090 21.9090
22.8372 22.8372
k = 0.1204 0.1204-0.0000 ( 3335 PWs) bands (ev):
-55.1352 -55.1352 -55.0548 -55.0548 -55.0521 -55.0521 -26.6630 -26.6630
-26.6553 -26.6553 -26.4191 -26.4191 -17.4229 -17.4229 -17.0927 -17.0927
-17.0694 -17.0694 -16.7475 -16.7475 -16.6139 -16.6139 -16.5616 -16.5616
0.5840 0.5840 2.9100 2.9100 3.9080 3.9080 4.0223 4.0223
12.8805 12.8805 13.0464 13.0464 13.6921 13.6921 14.0787 14.0787
14.2643 14.2643 14.6283 14.6283 15.1821 15.1821 15.7959 15.7959
16.0382 16.0382 16.6240 16.6240 16.8383 16.8383 17.0608 17.0608
17.1465 17.1465 17.4106 17.4106 17.8490 17.8490 19.6724 19.6724
20.1911 20.1911 20.4571 20.4571 20.8985 20.8985 21.7371 21.7371
22.8102 22.8102
k = 0.1111 0.1111-0.0000 ( 3329 PWs) bands (ev):
-55.1360 -55.1360 -55.0542 -55.0542 -55.0519 -55.0519 -26.6636 -26.6636
-26.6569 -26.6569 -26.4166 -26.4166 -17.4273 -17.4273 -17.0928 -17.0928
-17.0725 -17.0725 -16.7462 -16.7462 -16.6049 -16.6049 -16.5598 -16.5598
0.5488 0.5488 2.8814 2.8814 3.8975 3.8975 3.9951 3.9951
12.9514 12.9514 13.0973 13.0973 13.7533 13.7533 14.1386 14.1386
14.2955 14.2955 14.6238 14.6238 15.2679 15.2679 15.8602 15.8602
16.1387 16.1387 16.5537 16.5537 16.8158 16.8158 17.1046 17.1046
17.1802 17.1802 17.4865 17.4865 17.8631 17.8631 19.6483 19.6483
20.1098 20.1098 20.3735 20.3735 20.8271 20.8271 21.5673 21.5673
22.7537 22.7537
k = 0.1019 0.1019-0.0000 ( 3333 PWs) bands (ev):
-55.1368 -55.1368 -55.0537 -55.0537 -55.0517 -55.0517 -26.6641 -26.6641
-26.6584 -26.6584 -26.4144 -26.4144 -17.4314 -17.4314 -17.0929 -17.0929
-17.0756 -17.0756 -16.7451 -16.7451 -16.5965 -16.5965 -16.5580 -16.5580
0.5161 0.5161 2.8549 2.8549 3.8877 3.8877 3.9700 3.9700
13.0172 13.0172 13.1433 13.1433 13.8125 13.8125 14.1965 14.1965
14.3276 14.3276 14.6188 14.6188 15.3487 15.3487 15.9126 15.9126
16.2355 16.2355 16.4842 16.4842 16.7929 16.7929 17.0944 17.0944
17.2826 17.2826 17.5645 17.5645 17.8814 17.8814 19.6248 19.6248
20.0295 20.0295 20.2917 20.2917 20.7573 20.7573 21.4014 21.4014
22.6791 22.6791
k = 0.0926 0.0926-0.0000 ( 3329 PWs) bands (ev):
-55.1375 -55.1375 -55.0532 -55.0532 -55.0516 -55.0516 -26.6646 -26.6646
-26.6598 -26.6598 -26.4122 -26.4122 -17.4353 -17.4353 -17.0929 -17.0929
-17.0784 -17.0784 -16.7440 -16.7440 -16.5886 -16.5886 -16.5564 -16.5564
0.4859 0.4859 2.8305 2.8305 3.8787 3.8787 3.9469 3.9469
13.0778 13.0778 13.1844 13.1844 13.8689 13.8689 14.2520 14.2520
14.3604 14.3604 14.6136 14.6136 15.4232 15.4232 15.9528 15.9528
16.3277 16.3277 16.4173 16.4173 16.7774 16.7774 17.0830 17.0830
17.3928 17.3928 17.6427 17.6427 17.9037 17.9037 19.6016 19.6016
19.9506 19.9506 20.2121 20.2121 20.6897 20.6897 21.2408 21.2408
22.5977 22.5977
k = 0.0833 0.0833-0.0000 ( 3337 PWs) bands (ev):
-55.1381 -55.1381 -55.0527 -55.0527 -55.0514 -55.0514 -26.6650 -26.6650
-26.6611 -26.6611 -26.4104 -26.4104 -17.4389 -17.4389 -17.0929 -17.0929
-17.0811 -17.0811 -16.7430 -16.7430 -16.5813 -16.5813 -16.5550 -16.5550
0.4585 0.4585 2.8082 2.8082 3.8706 3.8706 3.9259 3.9259
13.1329 13.1329 13.2210 13.2210 13.9217 13.9217 14.3047 14.3047
14.3935 14.3935 14.6084 14.6084 15.4900 15.4900 15.9818 15.9818
16.3546 16.3546 16.4143 16.4143 16.7704 16.7704 17.0757 17.0757
17.5029 17.5029 17.7197 17.7197 17.9295 17.9295 19.5787 19.5787
19.8732 19.8732 20.1353 20.1353 20.6250 20.6250 21.0871 21.0871
22.5156 22.5156
k = 0.0741 0.0741-0.0000 ( 3341 PWs) bands (ev):
-55.1387 -55.1387 -55.0523 -55.0523 -55.0513 -55.0513 -26.6654 -26.6654
-26.6623 -26.6623 -26.4086 -26.4086 -17.4422 -17.4422 -17.0929 -17.0929
-17.0835 -17.0835 -16.7421 -16.7421 -16.5746 -16.5746 -16.5537 -16.5537
0.4337 0.4337 2.7882 2.7882 3.8632 3.8632 3.9070 3.9070
13.1824 13.1824 13.2532 13.2532 13.9703 13.9703 14.3542 14.3542
14.4262 14.4262 14.6034 14.6034 15.5471 15.5471 16.0019 16.0019
16.2971 16.2971 16.4941 16.4941 16.7706 16.7706 17.0734 17.0734
17.6109 17.6109 17.7946 17.7946 17.9584 17.9584 19.5556 19.5556
19.7979 19.7979 20.0624 20.0624 20.5639 20.5639 20.9418 20.9418
22.4362 22.4362
k = 0.0648 0.0648-0.0000 ( 3341 PWs) bands (ev):
-55.1391 -55.1391 -55.0519 -55.0519 -55.0511 -55.0511 -26.6657 -26.6657
-26.6633 -26.6633 -26.4071 -26.4071 -17.4451 -17.4451 -17.0929 -17.0929
-17.0856 -17.0856 -16.7413 -16.7413 -16.5687 -16.5687 -16.5525 -16.5525
0.4117 0.4117 2.7704 2.7704 3.8567 3.8567 3.8903 3.8903
13.2262 13.2262 13.2813 13.2813 14.0142 14.0142 14.4002 14.4002
14.4578 14.4578 14.5986 14.5986 15.5929 15.5929 16.0162 16.0162
16.2459 16.2459 16.5660 16.5660 16.7754 16.7754 17.0765 17.0765
17.7151 17.7151 17.8662 17.8662 17.9896 17.9896 19.5321 19.5321
19.7251 19.7251 19.9943 19.9943 20.5074 20.5074 20.8066 20.8066
22.3617 22.3617
k = 0.0556 0.0556-0.0000 ( 3345 PWs) bands (ev):
-55.1396 -55.1396 -55.0516 -55.0516 -55.0510 -55.0510 -26.6660 -26.6660
-26.6642 -26.6642 -26.4058 -26.4058 -17.4477 -17.4477 -17.0929 -17.0929
-17.0875 -17.0875 -16.7405 -16.7405 -16.5635 -16.5635 -16.5515 -16.5515
0.3926 0.3926 2.7550 2.7550 3.8510 3.8510 3.8757 3.8757
13.2643 13.2643 13.3053 13.3053 14.0528 14.0528 14.4423 14.4423
14.4876 14.4876 14.5942 14.5942 15.6259 15.6259 16.0283 16.0283
16.2018 16.2018 16.6292 16.6292 16.7822 16.7822 17.0847 17.0847
17.8138 17.8138 17.9334 17.9334 18.0220 18.0220 19.5082 19.5082
19.6555 19.6555 19.9325 19.9325 20.4563 20.4563 20.6833 20.6833
22.2937 22.2937
k = 0.0463 0.0463-0.0000 ( 3347 PWs) bands (ev):
-55.1400 -55.1400 -55.0513 -55.0513 -55.0509 -55.0509 -26.6663 -26.6663
-26.6650 -26.6650 -26.4046 -26.4046 -17.4499 -17.4499 -17.0929 -17.0929
-17.0891 -17.0891 -16.7399 -16.7399 -16.5590 -16.5590 -16.5506 -16.5506
0.3763 0.3763 2.7418 2.7418 3.8462 3.8462 3.8634 3.8634
13.2967 13.2967 13.3254 13.3254 14.0859 14.0859 14.4800 14.4800
14.5144 14.5144 14.5903 14.5903 15.6462 15.6462 16.0404 16.0404
16.1650 16.1650 16.6829 16.6829 16.7891 16.7891 17.0969 17.0969
17.9050 17.9050 17.9947 17.9947 18.0543 18.0543 19.4840 19.4840
19.5902 19.5902 19.8785 19.8785 20.4113 20.4113 20.5738 20.5738
22.2337 22.2337
k = 0.0370 0.0370-0.0000 ( 3349 PWs) bands (ev):
-55.1403 -55.1403 -55.0511 -55.0511 -55.0509 -55.0509 -26.6665 -26.6665
-26.6657 -26.6657 -26.4037 -26.4037 -17.4517 -17.4517 -17.0929 -17.0929
-17.0905 -17.0905 -16.7393 -16.7393 -16.5553 -16.5553 -16.5499 -16.5499
0.3629 0.3629 2.7310 2.7310 3.8422 3.8422 3.8532 3.8532
13.3232 13.3232 13.3417 13.3417 14.1132 14.1132 14.5127 14.5127
14.5375 14.5375 14.5870 14.5870 15.6555 15.6555 16.0533 16.0533
16.1357 16.1357 16.7267 16.7267 16.7948 16.7948 17.1114 17.1114
17.9862 17.9862 18.0485 18.0485 18.0852 18.0852 19.4602 19.4602
19.5307 19.5307 19.8336 19.8336 20.3734 20.3734 20.4802 20.4802
22.1828 22.1828
k = 0.0278 0.0278-0.0000 ( 3361 PWs) bands (ev):
-55.1405 -55.1405 -55.0510 -55.0510 -55.0508 -55.0508 -26.6667 -26.6667
-26.6662 -26.6662 -26.4030 -26.4030 -17.4532 -17.4532 -17.0929 -17.0929
-17.0915 -17.0915 -16.7389 -16.7389 -16.5524 -16.5524 -16.5494 -16.5494
0.3525 0.3525 2.7226 2.7226 3.8391 3.8391 3.8453 3.8453
13.3438 13.3438 13.3543 13.3543 14.1345 14.1345 14.5394 14.5394
14.5560 14.5560 14.5847 14.5847 15.6571 15.6571 16.0658 16.0658
16.1135 16.1135 16.7607 16.7607 16.7991 16.7991 17.1259 17.1259
18.0541 18.0541 18.0930 18.0930 18.1132 18.1132 19.4383 19.4383
19.4794 19.4794 19.7985 19.7985 20.3431 20.3431 20.4045 20.4045
22.1421 22.1421
k = 0.0185 0.0185-0.0000 ( 3361 PWs) bands (ev):
-55.1407 -55.1407 -55.0508 -55.0508 -55.0508 -55.0508 -26.6668 -26.6668
-26.6666 -26.6666 -26.4025 -26.4025 -17.4542 -17.4542 -17.0929 -17.0929
-17.0923 -17.0923 -16.7386 -16.7386 -16.5503 -16.5503 -16.5490 -16.5490
0.3450 0.3450 2.7166 2.7166 3.8369 3.8369 3.8397 3.8397
13.3586 13.3586 13.3633 13.3633 14.1498 14.1498 14.5594 14.5594
14.5689 14.5689 14.5837 14.5837 15.6549 15.6549 16.0764 16.0764
16.0980 16.0980 16.7847 16.7847 16.8018 16.8018 17.1381 17.1381
18.1036 18.1036 18.1270 18.1270 18.1375 18.1375 19.4203 19.4203
19.4391 19.4391 19.7736 19.7736 20.3210 20.3210 20.3488 20.3488
22.1124 22.1124
k = 0.0093 0.0093-0.0000 ( 3365 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0507 -55.0507 -26.6668 -26.6668
-26.6668 -26.6668 -26.4022 -26.4022 -17.4548 -17.4548 -17.0929 -17.0929
-17.0927 -17.0927 -16.7385 -16.7385 -16.5491 -16.5491 -16.5487 -16.5487
0.3405 0.3405 2.7130 2.7130 3.8356 3.8356 3.8363 3.8363
13.3675 13.3675 13.3686 13.3686 14.1589 14.1589 14.5718 14.5718
14.5749 14.5749 14.5850 14.5850 15.6521 15.6521 16.0835 16.0835
16.0889 16.0889 16.7991 16.7991 16.8034 16.8034 17.1463 17.1463
18.1292 18.1292 18.1518 18.1518 18.1552 18.1552 19.4083 19.4083
19.4131 19.4131 19.7588 19.7588 20.3076 20.3076 20.3147 20.3147
22.0943 22.0943
k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0508 -55.0508 -26.6670 -26.6670
-26.6670 -26.6670 -26.4021 -26.4021 -17.4551 -17.4551 -17.0930 -17.0930
-17.0930 -17.0930 -16.7385 -16.7385 -16.5487 -16.5487 -16.5487 -16.5487
0.3390 0.3390 2.7118 2.7118 3.8351 3.8351 3.8351 3.8351
13.3704 13.3704 13.3704 13.3704 14.1620 14.1620 14.5760 14.5760
14.5760 14.5760 14.5863 14.5863 15.6509 15.6509 16.0859 16.0859
16.0859 16.0859 16.8038 16.8038 16.8038 16.8038 17.1491 17.1491
18.1362 18.1362 18.1616 18.1616 18.1616 18.1616 19.4041 19.4041
19.4041 19.4041 19.7539 19.7539 20.3031 20.3031 20.3031 20.3031
22.0882 22.0882
k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0508 -55.0508 -26.6670 -26.6670
-26.6670 -26.6670 -26.4021 -26.4021 -17.4551 -17.4551 -17.0930 -17.0930
-17.0930 -17.0930 -16.7385 -16.7385 -16.5487 -16.5487 -16.5487 -16.5487
0.3390 0.3390 2.7118 2.7118 3.8351 3.8351 3.8351 3.8351
13.3704 13.3704 13.3704 13.3704 14.1620 14.1620 14.5760 14.5760
14.5760 14.5760 14.5863 14.5863 15.6509 15.6509 16.0859 16.0859
16.0859 16.0859 16.8038 16.8038 16.8038 16.8038 17.1491 17.1491
18.1362 18.1362 18.1616 18.1616 18.1616 18.1616 19.4041 19.4041
19.4041 19.4041 19.7539 19.7539 20.3031 20.3031 20.3031 20.3031
22.0882 22.0882
k = 0.0075 0.0075 0.0075 ( 3362 PWs) bands (ev):
-55.1408 -55.1408 -55.0508 -55.0508 -55.0508 -55.0508 -26.6668 -26.6668
-26.6668 -26.6668 -26.4022 -26.4022 -17.4548 -17.4548 -17.0929 -17.0929
-17.0927 -17.0927 -16.7384 -16.7384 -16.5491 -16.5491 -16.5487 -16.5487
0.3405 0.3405 2.7129 2.7129 3.8358 3.8358 3.8359 3.8359
13.3679 13.3679 13.3683 13.3683 14.1590 14.1590 14.5719 14.5719
14.5750 14.5750 14.5849 14.5849 15.6521 15.6521 16.0844 16.0844
16.0880 16.0880 16.8001 16.8001 16.8026 16.8026 17.1464 17.1464
18.1292 18.1292 18.1523 18.1523 18.1553 18.1553 19.4097 19.4097
19.4115 19.4115 19.7587 19.7587 20.3106 20.3106 20.3113 20.3113
22.0941 22.0941
k = 0.0149 0.0149 0.0149 ( 3359 PWs) bands (ev):
-55.1407 -55.1407 -55.0508 -55.0508 -55.0508 -55.0508 -26.6667 -26.6667
-26.6666 -26.6666 -26.4025 -26.4025 -17.4542 -17.4542 -17.0929 -17.0929
-17.0923 -17.0923 -16.7386 -16.7386 -16.5503 -16.5503 -16.5489 -16.5489
0.3448 0.3448 2.7165 2.7165 3.8380 3.8380 3.8384 3.8384
13.3602 13.3602 13.3621 13.3621 14.1500 14.1500 14.5586 14.5586
14.5719 14.5719 14.5821 14.5821 15.6552 15.6552 16.0797 16.0797
16.0943 16.0943 16.7887 16.7887 16.7987 16.7987 17.1381 17.1381
18.1026 18.1026 18.1310 18.1310 18.1366 18.1366 19.4258 19.4258
19.4325 19.4325 19.7730 19.7730 20.3330 20.3330 20.3355 20.3355
22.1118 22.1118
k = 0.0224 0.0224 0.0224 ( 3353 PWs) bands (ev):
-55.1405 -55.1405 -55.0509 -55.0509 -55.0509 -55.0509 -26.6665 -26.6665
-26.6664 -26.6664 -26.4030 -26.4030 -17.4532 -17.4532 -17.0929 -17.0929
-17.0916 -17.0916 -16.7389 -16.7389 -16.5524 -16.5524 -16.5492 -16.5492
0.3521 0.3521 2.7224 2.7224 3.8416 3.8416 3.8425 3.8425
13.3475 13.3475 13.3518 13.3518 14.1350 14.1350 14.5364 14.5364
14.5667 14.5667 14.5780 14.5780 15.6594 15.6594 16.0718 16.0718
16.1053 16.1053 16.7695 16.7695 16.7925 16.7925 17.1251 17.1251
18.0509 18.0509 18.1064 18.1064 18.1070 18.1070 19.4513 19.4513
19.4645 19.4645 19.7969 19.7969 20.3700 20.3700 20.3751 20.3751
22.1409 22.1409
k = 0.0299 0.0299 0.0299 ( 3353 PWs) bands (ev):
-55.1403 -55.1403 -55.0510 -55.0510 -55.0510 -55.0510 -26.6662 -26.6662
-26.6660 -26.6660 -26.4037 -26.4037 -17.4518 -17.4518 -17.0930 -17.0930
-17.0905 -17.0905 -16.7393 -16.7393 -16.5554 -16.5554 -16.5496 -16.5496
0.3623 0.3623 2.7306 2.7306 3.8466 3.8466 3.8482 3.8482
13.3297 13.3297 13.3372 13.3372 14.1138 14.1138 14.5063 14.5063
14.5594 14.5594 14.5727 14.5727 15.6631 15.6631 16.0604 16.0604
16.1217 16.1217 16.7425 16.7425 16.7846 16.7846 17.1081 17.1081
17.9803 17.9803 18.0684 18.0684 18.0767 18.0767 19.4846 19.4846
19.5043 19.5043 19.8301 19.8301 20.4211 20.4211 20.4292 20.4292
22.1811 22.1811
k = 0.0373 0.0373 0.0373 ( 3353 PWs) bands (ev):
-55.1400 -55.1400 -55.0511 -55.0511 -55.0511 -55.0511 -26.6659 -26.6659
-26.6655 -26.6655 -26.4046 -26.4046 -17.4500 -17.4500 -17.0930 -17.0930
-17.0892 -17.0892 -16.7398 -16.7398 -16.5591 -16.5591 -16.5502 -16.5502
0.3754 0.3754 2.7411 2.7411 3.8530 3.8530 3.8556 3.8556
13.3069 13.3069 13.3185 13.3185 14.0864 14.0864 14.4697 14.4697
14.5497 14.5497 14.5658 14.5658 15.6647 15.6647 16.0455 16.0455
16.1440 16.1440 16.7074 16.7074 16.7755 16.7755 17.0882 17.0882
17.8953 17.8953 18.0230 18.0230 18.0417 18.0417 19.5240 19.5240
19.5489 19.5489 19.8722 19.8722 20.4858 20.4858 20.4966 20.4966
22.2317 22.2317
k = 0.0448 0.0448 0.0448 ( 3347 PWs) bands (ev):
-55.1396 -55.1396 -55.0513 -55.0513 -55.0513 -55.0513 -26.6654 -26.6654
-26.6650 -26.6650 -26.4057 -26.4057 -17.4479 -17.4479 -17.0930 -17.0930
-17.0876 -17.0876 -16.7404 -16.7404 -16.5637 -16.5637 -16.5508 -16.5508
0.3913 0.3913 2.7540 2.7540 3.8608 3.8608 3.8646 3.8646
13.2792 13.2792 13.2956 13.2956 14.0527 14.0527 14.4278 14.4278
14.5377 14.5377 14.5574 14.5574 15.6629 15.6629 16.0266 16.0266
16.1726 16.1726 16.6642 16.6642 16.7660 16.7660 17.0669 17.0669
17.7992 17.7992 17.9726 17.9726 18.0021 18.0021 19.5681 19.5681
19.5964 19.5964 19.9225 19.9225 20.5631 20.5631 20.5762 20.5762
22.2920 22.2920
k = 0.0522 0.0522 0.0522 ( 3341 PWs) bands (ev):
-55.1392 -55.1392 -55.0515 -55.0515 -55.0515 -55.0515 -26.6649 -26.6649
-26.6643 -26.6643 -26.4070 -26.4070 -17.4454 -17.4454 -17.0931 -17.0931
-17.0857 -17.0857 -16.7412 -16.7412 -16.5690 -16.5690 -16.5516 -16.5516
0.4100 0.4100 2.7692 2.7692 3.8700 3.8700 3.8752 3.8752
13.2465 13.2465 13.2684 13.2684 14.0125 14.0125 14.3817 14.3817
14.5232 14.5232 14.5473 14.5473 15.6566 15.6566 16.0034 16.0034
16.2077 16.2077 16.6130 16.6130 16.7571 16.7571 17.0453 17.0453
17.6943 17.6943 17.9190 17.9190 17.9590 17.9590 19.6159 19.6159
19.6456 19.6456 19.9795 19.9795 20.6522 20.6522 20.6666 20.6666
22.3611 22.3611
k = 0.0597 0.0597 0.0597 ( 3341 PWs) bands (ev):
-55.1387 -55.1387 -55.0518 -55.0518 -55.0518 -55.0518 -26.6643 -26.6643
-26.6635 -26.6635 -26.4085 -26.4085 -17.4425 -17.4425 -17.0931 -17.0931
-17.0836 -17.0836 -16.7420 -16.7420 -16.5751 -16.5751 -16.5524 -16.5524
0.4316 0.4316 2.7866 2.7866 3.8806 3.8806 3.8874 3.8874
13.2089 13.2089 13.2370 13.2370 13.9658 13.9658 14.3325 14.3325
14.5061 14.5061 14.5354 14.5354 15.6451 15.6451 15.9756 15.9756
16.2489 16.2489 16.5538 16.5538 16.7498 16.7498 17.0248 17.0248
17.5826 17.5826 17.8637 17.8637 17.9134 17.9134 19.6667 19.6667
19.6961 19.6961 20.0419 20.0419 20.7519 20.7519 20.7669 20.7669
22.4378 22.4378
k = 0.0672 0.0672 0.0672 ( 3344 PWs) bands (ev):
-55.1382 -55.1382 -55.0520 -55.0520 -55.0520 -55.0520 -26.6637 -26.6637
-26.6627 -26.6627 -26.4102 -26.4102 -17.4394 -17.4394 -17.0932 -17.0932
-17.0811 -17.0811 -16.7428 -16.7428 -16.5819 -16.5819 -16.5534 -16.5534
0.4559 0.4559 2.8064 2.8064 3.8926 3.8926 3.9011 3.9011
13.1666 13.1666 13.2012 13.2012 13.9128 13.9128 14.2809 14.2809
14.4864 14.4864 14.5218 14.5218 15.6280 15.6280 15.9427 15.9427
16.2958 16.2958 16.4873 16.4873 16.7450 16.7450 17.0064 17.0064
17.4654 17.4654 17.8078 17.8078 17.8664 17.8664 19.7201 19.7201
19.7480 19.7480 20.1081 20.1081 20.8612 20.8612 20.8758 20.8758
22.5207 22.5207
k = 0.0746 0.0746 0.0746 ( 3338 PWs) bands (ev):
-55.1375 -55.1375 -55.0523 -55.0523 -55.0523 -55.0523 -26.6630 -26.6630
-26.6617 -26.6617 -26.4120 -26.4120 -17.4360 -17.4360 -17.0933 -17.0933
-17.0785 -17.0785 -16.7438 -16.7438 -16.5893 -16.5893 -16.5544 -16.5544
0.4830 0.4830 2.8284 2.8284 3.9060 3.9060 3.9165 3.9165
13.1196 13.1196 13.1611 13.1611 13.8536 13.8536 14.2277 14.2277
14.4641 14.4641 14.5063 14.5063 15.6053 15.6053 15.9044 15.9044
16.3478 16.3478 16.4139 16.4139 16.7436 16.7436 16.9911 16.9911
17.3439 17.3439 17.7522 17.7522 17.8186 17.8186 19.7759 19.7759
19.8015 19.8015 20.1770 20.1770 20.9789 20.9789 20.9924 20.9924
22.6077 22.6077
k = 0.0821 0.0821 0.0821 ( 3332 PWs) bands (ev):
-55.1369 -55.1369 -55.0527 -55.0527 -55.0527 -55.0527 -26.6622 -26.6622
-26.6606 -26.6606 -26.4140 -26.4140 -17.4323 -17.4323 -17.0934 -17.0934
-17.0756 -17.0756 -16.7448 -16.7448 -16.5975 -16.5975 -16.5555 -16.5555
0.5127 0.5127 2.8526 2.8526 3.9207 3.9207 3.9334 3.9334
13.0680 13.0680 13.1167 13.1167 13.7886 13.7886 14.1733 14.1733
14.4391 14.4391 14.4888 14.4888 15.5769 15.5769 15.8605 15.8605
16.3339 16.3339 16.4046 16.4046 16.7464 16.7464 16.9795 16.9795
17.2191 17.2191 17.6978 17.6978 17.7709 17.7709 19.8339 19.8339
19.8569 19.8569 20.2474 20.2474 21.1041 21.1041 21.1160 21.1160
22.6954 22.6954
k = 0.0896 0.0896 0.0896 ( 3332 PWs) bands (ev):
-55.1362 -55.1362 -55.0530 -55.0530 -55.0530 -55.0530 -26.6613 -26.6613
-26.6595 -26.6595 -26.4163 -26.4163 -17.4284 -17.4284 -17.0935 -17.0935
-17.0725 -17.0725 -16.7459 -16.7459 -16.6062 -16.6062 -16.5566 -16.5566
0.5451 0.5451 2.8791 2.8791 3.9367 3.9367 3.9518 3.9518
13.0119 13.0119 13.0679 13.0679 13.7181 13.7181 14.1181 14.1181
14.4115 14.4115 14.4694 14.4694 15.5429 15.5429 15.8111 15.8111
16.2488 16.2488 16.4648 16.4648 16.7538 16.7538 16.9720 16.9720
17.0920 17.0920 17.6452 17.6452 17.7239 17.7239 19.8940 19.8940
19.9143 19.9143 20.3186 20.3186 21.2359 21.2359 21.2456 21.2456
22.7770 22.7770
k = 0.0970 0.0970 0.0970 ( 3332 PWs) bands (ev):
-55.1354 -55.1354 -55.0534 -55.0534 -55.0534 -55.0534 -26.6604 -26.6604
-26.6583 -26.6583 -26.4187 -26.4187 -17.4242 -17.4242 -17.0936 -17.0936
-17.0691 -17.0691 -16.7470 -16.7470 -16.6154 -16.6154 -16.5578 -16.5578
0.5801 0.5801 2.9077 2.9077 3.9541 3.9541 3.9717 3.9717
12.9516 12.9516 13.0146 13.0146 13.6427 13.6427 14.0623 14.0623
14.3813 14.3813 14.4479 14.4479 15.5034 15.5034 15.7562 15.7562
16.1587 16.1587 16.5279 16.5279 16.7660 16.7660 16.9560 16.9560
16.9769 16.9769 17.5950 17.5950 17.6785 17.6785 19.9562 19.9562
19.9739 19.9739 20.3900 20.3900 21.3736 21.3736 21.3808 21.3808
22.8396 22.8396
k = 0.1045 0.1045 0.1045 ( 3332 PWs) bands (ev):
-55.1345 -55.1345 -55.0538 -55.0538 -55.0538 -55.0538 -26.6595 -26.6595
-26.6570 -26.6570 -26.4212 -26.4212 -17.4200 -17.4200 -17.0937 -17.0937
-17.0656 -17.0656 -16.7483 -16.7483 -16.6250 -16.6250 -16.5590 -16.5590
0.6176 0.6176 2.9384 2.9384 3.9727 3.9727 3.9932 3.9932
12.8870 12.8870 12.9570 12.9570 13.5628 13.5628 14.0059 14.0059
14.3487 14.3487 14.4243 14.4243 15.4586 15.4586 15.6961 15.6961
16.0644 16.0644 16.5913 16.5913 16.7831 16.7831 16.8343 16.8343
16.9735 16.9735 17.5478 17.5478 17.6352 17.6352 20.0205 20.0205
20.0356 20.0356 20.4611 20.4611 21.5163 21.5163 21.5207 21.5207
22.8695 22.8695
k = 0.1119 0.1119 0.1119 ( 3332 PWs) bands (ev):
-55.1336 -55.1336 -55.0543 -55.0543 -55.0543 -55.0543 -26.6584 -26.6584
-26.6557 -26.6557 -26.4239 -26.4239 -17.4156 -17.4156 -17.0939 -17.0939
-17.0619 -17.0619 -16.7496 -16.7496 -16.6351 -16.6351 -16.5602 -16.5602
0.6576 0.6576 2.9713 2.9713 3.9926 3.9926 4.0161 4.0161
12.8185 12.8185 12.8951 12.8951 13.4791 13.4791 13.9492 13.9492
14.3138 14.3138 14.3987 14.3987 15.4087 15.4087 15.6311 15.6311
15.9665 15.9665 16.6313 16.6313 16.7322 16.7322 16.8046 16.8046
16.9800 16.9800 17.5042 17.5042 17.5949 17.5949 20.0868 20.0868
20.0995 20.0995 20.5318 20.5318 21.6634 21.6634 21.6649 21.6649
22.8722 22.8722
k = 0.1194 0.1194 0.1194 ( 3341 PWs) bands (ev):
-55.1327 -55.1327 -55.0547 -55.0547 -55.0547 -55.0547 -26.6574 -26.6574
-26.6542 -26.6542 -26.4268 -26.4268 -17.4111 -17.4111 -17.0940 -17.0940
-17.0580 -17.0580 -16.7511 -16.7511 -16.6454 -16.6454 -16.5615 -16.5615
0.7000 0.7000 3.0062 3.0062 4.0137 4.0137 4.0404 4.0404
12.7462 12.7462 12.8289 12.8289 13.3919 13.3919 13.8921 13.8921
14.2766 14.2766 14.3708 14.3708 15.3541 15.3541 15.5618 15.5618
15.8657 15.8657 16.5439 16.5439 16.7591 16.7591 16.8300 16.8300
16.9907 16.9907 17.4651 17.4651 17.5586 17.5586 20.1549 20.1549
20.1654 20.1654 20.6019 20.6019 21.8128 21.8128 21.8143 21.8143
22.8613 22.8613
k = 0.1269 0.1269 0.1269 ( 3350 PWs) bands (ev):
-55.1317 -55.1317 -55.0552 -55.0552 -55.0552 -55.0552 -26.6563 -26.6563
-26.6527 -26.6527 -26.4299 -26.4299 -17.4066 -17.4066 -17.0941 -17.0941
-17.0540 -17.0540 -16.7529 -16.7529 -16.6558 -16.6558 -16.5628 -16.5628
0.7447 0.7447 3.0431 3.0431 4.0360 4.0360 4.0662 4.0662
12.6704 12.6704 12.7586 12.7586 13.3018 13.3018 13.8348 13.8348
14.2374 14.2374 14.3407 14.3407 15.2951 15.2951 15.4886 15.4886
15.7624 15.7624 16.4151 16.4151 16.8294 16.8294 16.8581 16.8581
17.0044 17.0044 17.4314 17.4314 17.5277 17.5277 20.2250 20.2250
20.2334 20.2334 20.6712 20.6712 21.9639 21.9639 21.9684 21.9685
22.8439 22.8439
k = 0.1343 0.1343 0.1343 ( 3350 PWs) bands (ev):
-55.1307 -55.1307 -55.0557 -55.0557 -55.0557 -55.0557 -26.6551 -26.6551
-26.6512 -26.6512 -26.4331 -26.4331 -17.4021 -17.4021 -17.0942 -17.0942
-17.0498 -17.0498 -16.7550 -16.7550 -16.6661 -16.6661 -16.5640 -16.5640
0.7917 0.7917 3.0821 3.0821 4.0596 4.0596 4.0934 4.0934
12.5912 12.5912 12.6842 12.6842 13.2093 13.2093 13.7772 13.7772
14.1963 14.1963 14.3084 14.3084 15.2321 15.2321 15.4119 15.4119
15.6572 15.6572 16.2820 16.2820 16.8876 16.8876 16.9060 16.9060
17.0197 17.0197 17.4047 17.4047 17.5037 17.5037 20.2967 20.2967
20.3033 20.3033 20.7398 20.7398 22.1175 22.1175 22.1252 22.1252
22.8230 22.8230
k = 0.1418 0.1418 0.1418 ( 3353 PWs) bands (ev):
-55.1296 -55.1296 -55.0563 -55.0563 -55.0563 -55.0563 -26.6539 -26.6539
-26.6495 -26.6495 -26.4364 -26.4364 -17.3976 -17.3976 -17.0944 -17.0944
-17.0456 -17.0456 -16.7578 -16.7578 -16.6760 -16.6760 -16.5651 -16.5651
0.8409 0.8409 3.1229 3.1229 4.0842 4.0842 4.1219 4.1219
12.5089 12.5089 12.6060 12.6060 13.1145 13.1145 13.7194 13.7194
14.1534 14.1534 14.2738 14.2738 15.1656 15.1656 15.3323 15.3323
15.5504 15.5504 16.1479 16.1479 16.9162 16.9162 16.9845 16.9845
17.0358 17.0358 17.3869 17.3869 17.4889 17.4889 20.3701 20.3701
20.3750 20.3750 20.8077 20.8077 22.2726 22.2726 22.2838 22.2838
22.8000 22.8000
k = 0.1493 0.1493 0.1493 ( 3356 PWs) bands (ev):
-55.1285 -55.1285 -55.0568 -55.0568 -55.0568 -55.0568 -26.6526 -26.6526
-26.6478 -26.6478 -26.4398 -26.4398 -17.3933 -17.3933 -17.0945 -17.0945
-17.0412 -17.0412 -16.7613 -16.7613 -16.6851 -16.6851 -16.5662 -16.5662
0.8923 0.8923 3.1657 3.1657 4.1101 4.1101 4.1517 4.1517
12.4238 12.4238 12.5242 12.5242 13.0179 13.0179 13.6615 13.6615
14.1088 14.1088 14.2370 14.2370 15.0960 15.0960 15.2502 15.2502
15.4424 15.4424 16.0139 16.0139 16.9414 16.9414 17.0384 17.0384
17.0759 17.0759 17.3806 17.3806 17.4855 17.4855 20.4451 20.4451
20.4483 20.4483 20.8748 20.8748 22.4275 22.4275 22.4433 22.4433
22.7758 22.7758
k = 0.1567 0.1567 0.1567 ( 3344 PWs) bands (ev):
-55.1273 -55.1273 -55.0574 -55.0574 -55.0574 -55.0574 -26.6512 -26.6512
-26.6460 -26.6460 -26.4434 -26.4434 -17.3890 -17.3890 -17.0945 -17.0945
-17.0367 -17.0367 -16.7661 -16.7661 -16.6931 -16.6931 -16.5673 -16.5673
0.9457 0.9457 3.2103 3.2103 4.1370 4.1370 4.1829 4.1829
12.3362 12.3362 12.4390 12.4390 12.9198 12.9198 13.6034 13.6034
14.0626 14.0626 14.1979 14.1979 15.0237 15.0237 15.1660 15.1660
15.3337 15.3337 15.8802 15.8802 16.9605 16.9605 17.0480 17.0480
17.1578 17.1578 17.3881 17.3881 17.4956 17.4956 20.5214 20.5214
20.5231 20.5231 20.9413 20.9413 22.5774 22.5774 22.6018 22.6018
22.7530 22.7530
k = 0.1642 0.1642 0.1642 ( 3344 PWs) bands (ev):
-55.1262 -55.1262 -55.0580 -55.0580 -55.0580 -55.0580 -26.6499 -26.6499
-26.6442 -26.6442 -26.4471 -26.4471 -17.3850 -17.3850 -17.0946 -17.0946
-17.0322 -17.0322 -16.7723 -16.7723 -16.6995 -16.6995 -16.5682 -16.5682
1.0010 1.0010 3.2568 3.2568 4.1649 4.1649 4.2153 4.2153
12.2462 12.2462 12.3506 12.3506 12.8204 12.8204 13.5451 13.5451
14.0151 14.0151 14.1566 14.1566 14.9491 14.9491 15.0802 15.0802
15.2244 15.2244 15.7474 15.7474 16.9718 16.9718 17.0490 17.0490
17.2445 17.2445 17.4112 17.4112 17.5200 17.5200 20.5990 20.5990
20.5993 20.5993 21.0073 21.0073 22.6866 22.6866 22.7555 22.7555
22.7590 22.7590
k = 0.1716 0.1716 0.1716 ( 3344 PWs) bands (ev):
-55.1249 -55.1249 -55.0586 -55.0586 -55.0586 -55.0586 -26.6486 -26.6486
-26.6424 -26.6424 -26.4508 -26.4508 -17.3814 -17.3814 -17.0946 -17.0946
-17.0277 -17.0277 -16.7802 -16.7802 -16.7042 -16.7042 -16.5689 -16.5689
1.0583 1.0583 3.3049 3.3049 4.1939 4.1939 4.2489 4.2489
12.1541 12.1541 12.2594 12.2594 12.7199 12.7199 13.4866 13.4866
13.9662 13.9662 14.1131 14.1131 14.8725 14.8725 14.9930 14.9930
15.1150 15.1150 15.6155 15.6155 16.9755 16.9755 17.0441 17.0441
17.3334 17.3334 17.4493 17.4493 17.5583 17.5583 20.6766 20.6766
20.6778 20.6778 21.0727 21.0727 22.6806 22.6806 22.8411 22.8411
22.8937 22.8937
k = 0.1791 0.1791 0.1791 ( 3344 PWs) bands (ev):
-55.1236 -55.1236 -55.0592 -55.0592 -55.0592 -55.0592 -26.6472 -26.6472
-26.6406 -26.6406 -26.4547 -26.4547 -17.3779 -17.3779 -17.0947 -17.0947
-17.0232 -17.0232 -16.7896 -16.7896 -16.7071 -16.7071 -16.5696 -16.5696
1.1173 1.1173 3.3547 3.3547 4.2239 4.2239 4.2837 4.2837
12.0603 12.0603 12.1657 12.1657 12.6185 12.6185 13.4279 13.4279
13.9161 13.9161 14.0675 14.0675 14.7944 14.7944 14.9049 14.9049
15.0057 15.0057 15.4850 15.4850 16.9732 16.9732 17.0350 17.0350
17.4241 17.4241 17.5007 17.5007 17.6091 17.6091 20.7550 20.7550
20.7576 20.7576 21.1378 21.1378 22.6540 22.6540 22.8735 22.8735
22.9905 22.9905
k = 0.1866 0.1866 0.1866 ( 3344 PWs) bands (ev):
-55.1224 -55.1224 -55.0599 -55.0599 -55.0599 -55.0599 -26.6457 -26.6457
-26.6386 -26.6386 -26.4587 -26.4587 -17.3749 -17.3749 -17.0947 -17.0947
-17.0186 -17.0186 -16.8003 -16.8003 -16.7085 -16.7085 -16.5701 -16.5701
1.1781 1.1781 3.4062 3.4062 4.2548 4.2548 4.3196 4.3196
11.9650 11.9650 12.0698 12.0698 12.5163 12.5163 13.3690 13.3690
13.8649 13.8649 14.0198 14.0198 14.7148 14.7148 14.8161 14.8161
14.8968 14.8968 15.3560 15.3560 16.9670 16.9670 17.0234 17.0234
17.5163 17.5163 17.5631 17.5631 17.6709 17.6709 20.8342 20.8342
20.8382 20.8382 21.2025 21.2025 22.6246 22.6246 22.8666 22.8666
23.0267 23.0267
k = 0.1940 0.1940 0.1940 ( 3338 PWs) bands (ev):
-55.1210 -55.1210 -55.0605 -55.0605 -55.0605 -55.0605 -26.6443 -26.6443
-26.6367 -26.6367 -26.4628 -26.4628 -17.3722 -17.3722 -17.0947 -17.0947
-17.0141 -17.0141 -16.8119 -16.8119 -16.7085 -16.7085 -16.5705 -16.5705
1.2404 1.2404 3.4591 3.4591 4.2866 4.2866 4.3566 4.3566
11.8684 11.8684 11.9719 11.9719 12.4135 12.4135 13.3098 13.3098
13.8127 13.8127 13.9702 13.9702 14.6342 14.6342 14.7270 14.7270
14.7886 14.7886 15.2287 15.2287 16.9589 16.9589 17.0109 17.0109
17.6097 17.6097 17.6344 17.6344 17.7423 17.7423 20.9140 20.9140
20.9195 20.9195 21.2671 21.2671 22.5940 22.5940 22.8465 22.8465
23.0258 23.0258
k = 0.2015 0.2015 0.2015 ( 3338 PWs) bands (ev):
-55.1197 -55.1197 -55.0612 -55.0612 -55.0612 -55.0612 -26.6428 -26.6428
-26.6347 -26.6347 -26.4670 -26.4670 -17.3700 -17.3700 -17.0947 -17.0947
-17.0097 -17.0097 -16.8242 -16.8242 -16.7075 -16.7075 -16.5707 -16.5707
1.3043 1.3043 3.5136 3.5136 4.3192 4.3192 4.3947 4.3947
11.7708 11.7708 11.8726 11.8726 12.3102 12.3102 13.2504 13.2504
13.7596 13.7596 13.9187 13.9187 14.5527 14.5527 14.6377 14.6377
14.6812 14.6812 15.1033 15.1033 16.9502 16.9502 16.9984 16.9984
17.7040 17.7040 17.7130 17.7130 17.8222 17.8222 20.9943 20.9943
21.0013 21.0013 21.3314 21.3314 22.5627 22.5627 22.8216 22.8216
23.0104 23.0104
k = 0.2090 0.2090 0.2090 ( 3338 PWs) bands (ev):
-55.1184 -55.1184 -55.0618 -55.0618 -55.0618 -55.0618 -26.6413 -26.6413
-26.6327 -26.6327 -26.4712 -26.4712 -17.3683 -17.3683 -17.0948 -17.0948
-17.0054 -17.0054 -16.8368 -16.8368 -16.7055 -16.7055 -16.5707 -16.5707
1.3696 1.3696 3.5694 3.5694 4.3527 4.3527 4.4338 4.4338
11.6724 11.6724 11.7719 11.7719 12.2064 12.2064 13.1906 13.1906
13.7057 13.7057 13.8655 13.8655 14.4702 14.4702 14.5485 14.5485
14.5752 14.5752 14.9801 14.9801 16.9421 16.9421 16.9868 16.9868
17.7977 17.7977 17.7994 17.7994 17.9097 17.9097 21.0748 21.0748
21.0835 21.0835 21.3958 21.3958 22.5310 22.5310 22.7948 22.7948
22.9889 22.9889
k = 0.2164 0.2164 0.2164 ( 3335 PWs) bands (ev):
-55.1170 -55.1170 -55.0625 -55.0625 -55.0625 -55.0625 -26.6398 -26.6398
-26.6306 -26.6306 -26.4755 -26.4755 -17.3670 -17.3670 -17.0950 -17.0950
-17.0011 -17.0011 -16.8495 -16.8495 -16.7027 -16.7027 -16.5704 -16.5704
1.4362 1.4362 3.6266 3.6266 4.3869 4.3869 4.4738 4.4738
11.5735 11.5735 11.6704 11.6704 12.1023 12.1023 13.1306 13.1306
13.6511 13.6511 13.8108 13.8108 14.3869 14.3869 14.4596 14.4596
14.4709 14.4709 14.8590 14.8590 16.9350 16.9350 16.9765 16.9765
17.8877 17.8877 17.8961 17.8961 18.0036 18.0036 21.1554 21.1554
21.1660 21.1660 21.4601 21.4601 22.4989 22.4989 22.7670 22.7670
22.9645 22.9645
k = 0.2239 0.2239 0.2239 ( 3335 PWs) bands (ev):
-55.1156 -55.1156 -55.0632 -55.0632 -55.0632 -55.0632 -26.6383 -26.6383
-26.6286 -26.6286 -26.4798 -26.4798 -17.3663 -17.3663 -17.0953 -17.0953
-16.9970 -16.9970 -16.8622 -16.8622 -16.6993 -16.6993 -16.5699 -16.5699
1.5040 1.5040 3.6850 3.6850 4.4219 4.4219 4.5147 4.5147
11.4743 11.4743 11.5682 11.5682 11.9979 11.9979 13.0702 13.0702
13.5959 13.5959 13.7548 13.7548 14.3023 14.3023 14.3689 14.3689
14.3712 14.3712 14.7404 14.7404 16.9295 16.9295 16.9681 16.9681
17.9823 17.9823 17.9944 17.9944 18.1031 18.1031 21.2358 21.2358
21.2485 21.2485 21.5246 21.5246 22.4667 22.4667 22.7391 22.7391
22.9386 22.9386
k = 0.2313 0.2313 0.2313 ( 3335 PWs) bands (ev):
-55.1142 -55.1142 -55.0639 -55.0639 -55.0639 -55.0639 -26.6368 -26.6368
-26.6266 -26.6266 -26.4841 -26.4841 -17.3662 -17.3662 -17.0959 -17.0959
-16.9931 -16.9931 -16.8748 -16.8748 -16.6952 -16.6952 -16.5692 -16.5692
1.5729 1.5729 3.7446 3.7446 4.4575 4.4575 4.5565 4.5565
11.3750 11.3750 11.4657 11.4657 11.8933 11.8933 13.0095 13.0095
13.5402 13.5402 13.6975 13.6975 14.2159 14.2159 14.2702 14.2702
14.2835 14.2835 14.6243 14.6243 16.9257 16.9257 16.9618 16.9618
18.0811 18.0811 18.0948 18.0948 18.2071 18.2071 21.3157 21.3157
21.3310 21.3310 21.5891 21.5891 22.4346 22.4346 22.7113 22.7113
22.9119 22.9119
k = 0.2388 0.2388 0.2388 ( 3347 PWs) bands (ev):
-55.1128 -55.1128 -55.0646 -55.0646 -55.0646 -55.0646 -26.6353 -26.6353
-26.6246 -26.6246 -26.4886 -26.4886 -17.3665 -17.3665 -17.0967 -17.0967
-16.9893 -16.9893 -16.8869 -16.8869 -16.6905 -16.6905 -16.5683 -16.5683
1.6427 1.6427 3.8052 3.8052 4.4937 4.4937 4.5991 4.5991
11.2758 11.2758 11.3631 11.3631 11.7886 11.7886 12.9484 12.9484
13.4842 13.4842 13.6393 13.6393 14.1269 14.1269 14.1758 14.1758
14.1966 14.1966 14.5108 14.5108 16.9240 16.9240 16.9576 16.9576
18.1836 18.1836 18.1976 18.1976 18.3151 18.3151 21.3950 21.3950
21.4131 21.4131 21.6536 21.6536 22.4026 22.4026 22.6841 22.6841
22.8849 22.8849
k = 0.2463 0.2463 0.2463 ( 3329 PWs) bands (ev):
-55.1114 -55.1114 -55.0653 -55.0653 -55.0653 -55.0653 -26.6338 -26.6338
-26.6225 -26.6225 -26.4929 -26.4929 -17.3674 -17.3674 -17.0978 -17.0978
-16.9857 -16.9857 -16.8985 -16.8985 -16.6852 -16.6852 -16.5670 -16.5670
1.7135 1.7135 3.8668 3.8668 4.5305 4.5305 4.6424 4.6424
11.1770 11.1770 11.2607 11.2607 11.6839 11.6839 12.8870 12.8870
13.4280 13.4280 13.5804 13.5804 14.0351 14.0351 14.0862 14.0862
14.1108 14.1108 14.4002 14.4002 16.9243 16.9243 16.9557 16.9557
18.2896 18.2896 18.3029 18.3029 18.4264 18.4264 21.4733 21.4733
21.4948 21.4948 21.7182 21.7182 22.3711 22.3711 22.6576 22.6576
22.8578 22.8578
k = 0.2537 0.2537 0.2537 ( 3329 PWs) bands (ev):
-55.1100 -55.1100 -55.0660 -55.0660 -55.0660 -55.0660 -26.6323 -26.6323
-26.6205 -26.6205 -26.4973 -26.4973 -17.3689 -17.3689 -17.0994 -17.0994
-16.9823 -16.9823 -16.9095 -16.9095 -16.6795 -16.6795 -16.5656 -16.5656
1.7850 1.7850 3.9293 3.9293 4.5677 4.5677 4.6864 4.6864
11.0787 11.0787 11.1588 11.1588 11.5792 11.5792 12.8252 12.8252
13.3717 13.3717 13.5209 13.5209 13.9420 13.9420 14.0003 14.0003
14.0260 14.0260 14.2923 14.2923 16.9268 16.9268 16.9561 16.9561
18.3987 18.3987 18.4108 18.4108 18.5408 18.5408 21.5504 21.5504
21.5759 21.5759 21.7825 21.7825 22.3403 22.3403 22.6322 22.6322
22.8309 22.8309
k = 0.2612 0.2612 0.2612 ( 3341 PWs) bands (ev):
-55.1086 -55.1086 -55.0667 -55.0667 -55.0667 -55.0667 -26.6309 -26.6309
-26.6185 -26.6185 -26.5017 -26.5017 -17.3709 -17.3709 -17.1016 -17.1016
-16.9791 -16.9791 -16.9197 -16.9197 -16.6734 -16.6734 -16.5638 -16.5638
1.8572 1.8572 3.9926 3.9926 4.6054 4.6054 4.7310 4.7310
10.9811 10.9811 11.0575 11.0575 11.4746 11.4746 12.7631 12.7631
13.3154 13.3154 13.4611 13.4611 13.8490 13.8490 13.9168 13.9168
13.9425 13.9425 14.1873 14.1873 16.9314 16.9314 16.9589 16.9589
18.5106 18.5106 18.5212 18.5212 18.6578 18.6578 21.6258 21.6258
21.6562 21.6562 21.8464 21.8464 22.3107 22.3107 22.6081 22.6081
22.8044 22.8044
k = 0.2687 0.2687 0.2687 ( 3347 PWs) bands (ev):
-55.1072 -55.1072 -55.0674 -55.0674 -55.0674 -55.0674 -26.6295 -26.6295
-26.6165 -26.6165 -26.5061 -26.5061 -17.3733 -17.3733 -17.1044 -17.1044
-16.9761 -16.9761 -16.9290 -16.9290 -16.6668 -16.6668 -16.5619 -16.5619
1.9298 1.9298 4.0565 4.0565 4.6434 4.6434 4.7762 4.7762
10.8843 10.8843 10.9571 10.9571 11.3702 11.3702 12.7008 12.7008
13.2592 13.2592 13.4012 13.4012 13.7571 13.7571 13.8350 13.8350
13.8604 13.8604 14.0852 14.0852 16.9380 16.9380 16.9638 16.9638
18.6253 18.6253 18.6341 18.6341 18.7774 18.7774 21.6991 21.6991
21.7354 21.7354 21.9089 21.9089 22.2831 22.2831 22.5858 22.5858
22.7785 22.7785
k = 0.2761 0.2761 0.2761 ( 3341 PWs) bands (ev):
-55.1058 -55.1058 -55.0681 -55.0681 -55.0681 -55.0681 -26.6281 -26.6281
-26.6145 -26.6145 -26.5105 -26.5105 -17.3762 -17.3762 -17.1079 -17.1079
-16.9734 -16.9734 -16.9373 -16.9373 -16.6598 -16.6598 -16.5596 -16.5596
2.0029 2.0029 4.1210 4.1210 4.6818 4.6818 4.8218 4.8218
10.7887 10.7887 10.8579 10.8579 11.2662 11.2662 12.6383 12.6383
13.2034 13.2034 13.3413 13.3413 13.6671 13.6671 13.7545 13.7545
13.7797 13.7797 13.9861 13.9861 16.9467 16.9467 16.9710 16.9710
18.7423 18.7423 18.7493 18.7493 18.8993 18.8993 21.7699 21.7699
21.8134 21.8134 21.9687 21.9687 22.2592 22.2592 22.5656 22.5656
22.7534 22.7534
k = 0.2836 0.2836 0.2836 ( 3329 PWs) bands (ev):
-55.1044 -55.1044 -55.0687 -55.0687 -55.0687 -55.0687 -26.6267 -26.6267
-26.6125 -26.6125 -26.5147 -26.5147 -17.3795 -17.3795 -17.1121 -17.1121
-16.9708 -16.9708 -16.9445 -16.9445 -16.6524 -16.6524 -16.5571 -16.5571
2.0761 2.0761 4.1859 4.1859 4.7204 4.7204 4.8679 4.8679
10.6943 10.6943 10.7599 10.7599 11.1625 11.1625 12.5757 12.5757
13.1480 13.1480 13.2818 13.2818 13.5792 13.5792 13.6752 13.6752
13.7006 13.7006 13.8900 13.8900 16.9574 16.9574 16.9803 16.9803
18.8614 18.8614 18.8667 18.8667 19.0234 19.0234 21.8374 21.8374
21.8899 21.8899 22.0220 22.0220 22.2427 22.2427 22.5482 22.5482
22.7292 22.7292
k = 0.2910 0.2910 0.2910 ( 3329 PWs) bands (ev):
-55.1030 -55.1030 -55.0694 -55.0694 -55.0694 -55.0694 -26.6253 -26.6253
-26.6106 -26.6106 -26.5190 -26.5190 -17.3833 -17.3833 -17.1172 -17.1172
-16.9685 -16.9685 -16.9506 -16.9506 -16.6448 -16.6448 -16.5544 -16.5544
2.1495 2.1495 4.2512 4.2512 4.7591 4.7591 4.9143 4.9143
10.6012 10.6012 10.6635 10.6635 11.0593 11.0593 12.5129 12.5129
13.0931 13.0931 13.2226 13.2226 13.4938 13.4938 13.5972 13.5972
13.6232 13.6232 13.7968 13.7968 16.9700 16.9700 16.9915 16.9915
18.9825 18.9825 18.9862 18.9862 19.1495 19.1495 21.9003 21.9003
21.9646 21.9646 22.0612 22.0612 22.2417 22.2417 22.5344 22.5344
22.7063 22.7063
k = 0.2985 0.2985 0.2985 ( 3329 PWs) bands (ev):
-55.1016 -55.1016 -55.0701 -55.0701 -55.0701 -55.0701 -26.6240 -26.6240
-26.6087 -26.6087 -26.5232 -26.5232 -17.3874 -17.3874 -17.1229 -17.1229
-16.9664 -16.9664 -16.9557 -16.9557 -16.6369 -16.6369 -16.5515 -16.5515
2.2228 2.2228 4.3166 4.3166 4.7979 4.7979 4.9609 4.9609
10.5097 10.5097 10.5687 10.5687 10.9568 10.9568 12.4503 12.4503
13.0389 13.0389 13.1641 13.1641 13.4110 13.4110 13.5205 13.5205
13.5475 13.5475 13.7065 13.7065 16.9843 16.9843 17.0046 17.0046
19.1053 19.1053 19.1076 19.1076 19.2775 19.2775 21.9565 21.9565
22.0371 22.0371 22.0781 22.0781 22.2653 22.2653 22.5253 22.5253
22.6849 22.6849
k = 0.3060 0.3060 0.3060 ( 3329 PWs) bands (ev):
-55.1003 -55.1003 -55.0707 -55.0707 -55.0707 -55.0707 -26.6227 -26.6227
-26.6069 -26.6069 -26.5273 -26.5273 -17.3918 -17.3918 -17.1293 -17.1293
-16.9645 -16.9645 -16.9597 -16.9597 -16.6287 -16.6287 -16.5483 -16.5483
2.2960 2.2960 4.3821 4.3821 4.8367 4.8367 5.0078 5.0078
10.4199 10.4199 10.4757 10.4757 10.8549 10.8549 12.3878 12.3878
12.9855 12.9855 13.1063 13.1063 13.3309 13.3309 13.4452 13.4452
13.4736 13.4736 13.6192 13.6192 17.0003 17.0003 17.0194 17.0194
19.2296 19.2296 19.2306 19.2306 19.4073 19.4073 22.0006 22.0006
22.0799 22.0799 22.1068 22.1068 22.3101 22.3101 22.5224 22.5224
22.6655 22.6655
k = 0.3134 0.3134 0.3134 ( 3329 PWs) bands (ev):
-55.0990 -55.0990 -55.0714 -55.0714 -55.0714 -55.0714 -26.6215 -26.6215
-26.6050 -26.6050 -26.5313 -26.5313 -17.3965 -17.3965 -17.1363 -17.1363
-16.9629 -16.9629 -16.9628 -16.9628 -16.6204 -16.6204 -16.5450 -16.5450
2.3688 2.3688 4.4475 4.4475 4.8754 4.8754 5.0547 5.0547
10.3320 10.3320 10.3848 10.3848 10.7539 10.7539 12.3256 12.3256
12.9331 12.9331 13.0494 13.0494 13.2538 13.2538 13.3716 13.3716
13.4017 13.4017 13.5347 13.5347 17.0178 17.0178 17.0359 17.0359
19.3550 19.3550 19.3551 19.3551 19.5386 19.5386 22.0179 22.0179
22.0902 22.0902 22.1731 22.1731 22.3655 22.3655 22.5276 22.5276
22.6488 22.6488
k = 0.3209 0.3209 0.3209 ( 3332 PWs) bands (ev):
-55.0977 -55.0977 -55.0720 -55.0720 -55.0720 -55.0720 -26.6203 -26.6203
-26.6033 -26.6033 -26.5353 -26.5353 -17.4015 -17.4015 -17.1437 -17.1437
-16.9652 -16.9652 -16.9614 -16.9614 -16.6120 -16.6120 -16.5416 -16.5416
2.4411 2.4411 4.5127 4.5127 4.9139 4.9139 5.1017 5.1017
10.2460 10.2460 10.2960 10.2960 10.6538 10.6538 12.2639 12.2639
12.8817 12.8817 12.9934 12.9934 13.1796 13.1796 13.2996 13.2996
13.3318 13.3318 13.4531 13.4531 17.0366 17.0366 17.0537 17.0537
19.4809 19.4809 19.4814 19.4814 19.6713 19.6713 22.0079 22.0079
22.1140 22.1140 22.2347 22.2347 22.4249 22.4249 22.5426 22.5426
22.6359 22.6359
k = 0.3284 0.3284 0.3284 ( 3335 PWs) bands (ev):
-55.0964 -55.0964 -55.0726 -55.0726 -55.0726 -55.0726 -26.6192 -26.6192
-26.6016 -26.6016 -26.5391 -26.5391 -17.4066 -17.4066 -17.1514 -17.1514
-16.9668 -16.9668 -16.9601 -16.9601 -16.6034 -16.6034 -16.5380 -16.5380
2.5127 2.5127 4.5774 4.5774 4.9522 4.9522 5.1486 5.1486
10.1622 10.1622 10.2095 10.2095 10.5549 10.5549 12.2027 12.2027
12.8315 12.8315 12.9386 12.9386 13.1086 13.1086 13.2296 13.2296
13.2640 13.2640 13.3744 13.3744 17.0567 17.0567 17.0728 17.0728
19.6077 19.6077 19.6084 19.6084 19.8053 19.8053 21.9882 21.9882
22.1356 22.1356 22.2899 22.2899 22.4852 22.4852 22.5685 22.5685
22.6286 22.6286
k = 0.3358 0.3358 0.3358 ( 3338 PWs) bands (ev):
-55.0952 -55.0952 -55.0733 -55.0733 -55.0732 -55.0732 -26.6182 -26.6182
-26.5999 -26.5999 -26.5429 -26.5429 -17.4119 -17.4119 -17.1593 -17.1593
-16.9678 -16.9678 -16.9591 -16.9591 -16.5949 -16.5949 -16.5342 -16.5342
2.5835 2.5835 4.6416 4.6416 4.9901 4.9901 5.1954 5.1954
10.0806 10.0806 10.1255 10.1255 10.4573 10.4573 12.1424 12.1424
12.7825 12.7825 12.8848 12.8848 13.0408 13.0408 13.1616 13.1616
13.1984 13.1984 13.2985 13.2985 17.0779 17.0779 17.0930 17.0930
19.7352 19.7352 19.7358 19.7358 19.9403 19.9403 21.9657 21.9657
22.1499 22.1499 22.3361 22.3361 22.5445 22.5445 22.6054 22.6054
22.6295 22.6295
k = 0.3433 0.3433 0.3433 ( 3332 PWs) bands (ev):
-55.0940 -55.0940 -55.0738 -55.0738 -55.0738 -55.0738 -26.6172 -26.6172
-26.5983 -26.5983 -26.5464 -26.5464 -17.4174 -17.4174 -17.1673 -17.1673
-16.9683 -16.9683 -16.9582 -16.9582 -16.5863 -16.5863 -16.5304 -16.5304
2.6532 2.6532 4.7050 4.7050 5.0275 5.0275 5.2419 5.2419
10.0014 10.0014 10.0440 10.0440 10.3612 10.3612 12.0830 12.0830
12.7349 12.7349 12.8323 12.8323 12.9762 12.9762 13.0957 13.0957
13.1350 13.1350 13.2254 13.2254 17.0999 17.0999 17.1141 17.1141
19.8632 19.8632 19.8632 19.8632 20.0760 20.0760 21.9426 21.9426
22.1571 22.1571 22.3701 22.3701 22.6016 22.6016 22.6415 22.6415
22.6520 22.6520
k = 0.3507 0.3507 0.3507 ( 3323 PWs) bands (ev):
-55.0928 -55.0928 -55.0744 -55.0744 -55.0744 -55.0744 -26.6162 -26.6162
-26.5967 -26.5967 -26.5499 -26.5499 -17.4228 -17.4228 -17.1753 -17.1753
-16.9684 -16.9684 -16.9574 -16.9574 -16.5778 -16.5778 -16.5266 -16.5266
2.7218 2.7218 4.7674 4.7674 5.0644 5.0644 5.2881 5.2881
9.9247 9.9247 9.9652 9.9652 10.2666 10.2666 12.0247 12.0247
12.6889 12.6889 12.7810 12.7810 12.9150 12.9150 13.0323 13.0323
13.0740 13.0740 13.1552 13.1552 17.1227 17.1227 17.1359 17.1359
19.9903 19.9903 19.9913 19.9913 20.2123 20.2123 21.9195 21.9195
22.1589 22.1589 22.3907 22.3907 22.6563 22.6563 22.6659 22.6659
22.7060 22.7060
k = 0.3582 0.3582 0.3582 ( 3322 PWs) bands (ev):
-55.0917 -55.0917 -55.0750 -55.0750 -55.0749 -55.0749 -26.6154 -26.6154
-26.5952 -26.5952 -26.5532 -26.5532 -17.4284 -17.4284 -17.1832 -17.1832
-16.9682 -16.9682 -16.9568 -16.9568 -16.5694 -16.5694 -16.5227 -16.5227
2.7889 2.7889 4.8288 4.8288 5.1006 5.1006 5.3338 5.3338
9.8507 9.8507 9.8892 9.8892 10.1740 10.1740 11.9678 11.9678
12.6444 12.6444 12.7311 12.7311 12.8571 12.8571 12.9712 12.9712
13.0153 13.0153 13.0879 13.0879 17.1460 17.1460 17.1583 17.1583
20.1167 20.1167 20.1192 20.1192 20.3489 20.3489 21.8969 21.8969
22.1571 22.1571 22.3997 22.3997 22.7010 22.7010 22.7096 22.7096
22.7642 22.7642
k = 0.3657 0.3657 0.3657 ( 3334 PWs) bands (ev):
-55.0906 -55.0906 -55.0755 -55.0755 -55.0755 -55.0755 -26.6146 -26.6146
-26.5938 -26.5938 -26.5563 -26.5563 -17.4339 -17.4339 -17.1909 -17.1909
-16.9678 -16.9678 -16.9564 -16.9564 -16.5611 -16.5611 -16.5188 -16.5188
2.8544 2.8544 4.8888 4.8888 5.1360 5.1360 5.3789 5.3789
9.7794 9.7794 9.8162 9.8162 10.0833 10.0833 11.9123 11.9123
12.6015 12.6015 12.6825 12.6825 12.8026 12.8026 12.9127 12.9127
12.9592 12.9592 13.0236 13.0236 17.1696 17.1696 17.1810 17.1810
20.2420 20.2420 20.2465 20.2465 20.4853 20.4853 21.8751 21.8751
22.1529 22.1529 22.4007 22.4007 22.7429 22.7429 22.7620 22.7620
22.8241 22.8241
k = 0.3731 0.3731 0.3731 ( 3334 PWs) bands (ev):
-55.0896 -55.0896 -55.0760 -55.0760 -55.0760 -55.0760 -26.6140 -26.6140
-26.5924 -26.5924 -26.5592 -26.5592 -17.4394 -17.4394 -17.1984 -17.1984
-16.9672 -16.9672 -16.9560 -16.9560 -16.5530 -16.5530 -16.5150 -16.5150
2.9182 2.9182 4.9473 4.9473 5.1705 5.1705 5.4234 5.4234
9.7111 9.7111 9.7463 9.7463 9.9950 9.9950 11.8586 11.8586
12.5604 12.5604 12.6353 12.6353 12.7514 12.7514 12.8569 12.8569
12.9057 12.9057 12.9623 12.9623 17.1935 17.1935 17.2040 17.2040
20.3657 20.3657 20.3727 20.3727 20.6212 20.6212 21.8542 21.8542
22.1476 22.1476 22.3971 22.3971 22.7885 22.7885 22.8134 22.8134
22.8846 22.8846
k = 0.3806 0.3806 0.3806 ( 3334 PWs) bands (ev):
-55.0886 -55.0886 -55.0765 -55.0765 -55.0765 -55.0765 -26.6134 -26.6134
-26.5911 -26.5911 -26.5620 -26.5620 -17.4448 -17.4448 -17.2055 -17.2055
-16.9665 -16.9665 -16.9558 -16.9558 -16.5452 -16.5452 -16.5112 -16.5112
2.9799 2.9799 5.0040 5.0040 5.2040 5.2040 5.4670 5.4670
9.6457 9.6457 9.6795 9.6795 9.9092 9.9092 11.8067 11.8067
12.5212 12.5212 12.5898 12.5898 12.7036 12.7036 12.8038 12.8038
12.8548 12.8548 12.9041 12.9041 17.2173 17.2173 17.2269 17.2269
20.4874 20.4874 20.4974 20.4974 20.7562 20.7562 21.8344 21.8344
22.1419 22.1419 22.3912 22.3912 22.8353 22.8353 22.8633 22.8633
22.9449 22.9449
k = 0.3881 0.3881 0.3881 ( 3340 PWs) bands (ev):
-55.0877 -55.0877 -55.0769 -55.0769 -55.0769 -55.0769 -26.6129 -26.6129
-26.5898 -26.5898 -26.5646 -26.5646 -17.4501 -17.4501 -17.2124 -17.2124
-16.9657 -16.9657 -16.9556 -16.9556 -16.5376 -16.5376 -16.5075 -16.5075
3.0393 3.0393 5.0588 5.0588 5.2364 5.2364 5.5097 5.5097
9.5835 9.5835 9.6159 9.6159 9.8262 9.8262 11.7570 11.7570
12.4839 12.4839 12.5461 12.5461 12.6589 12.6589 12.7536 12.7536
12.8066 12.8066 12.8492 12.8492 17.2409 17.2409 17.2496 17.2496
20.6065 20.6065 20.6200 20.6200 20.8896 20.8896 21.8158 21.8158
22.1365 22.1365 22.3844 22.3844 22.8821 22.8821 22.9115 22.9115
23.0047 23.0047
k = 0.3955 0.3955 0.3955 ( 3343 PWs) bands (ev):
-55.0868 -55.0868 -55.0774 -55.0774 -55.0774 -55.0774 -26.6125 -26.6125
-26.5886 -26.5886 -26.5670 -26.5670 -17.4552 -17.4552 -17.2189 -17.2189
-16.9649 -16.9649 -16.9555 -16.9555 -16.5302 -16.5302 -16.5039 -16.5039
3.0964 3.0964 5.1113 5.1113 5.2675 5.2675 5.5513 5.5513
9.5246 9.5246 9.5558 9.5558 9.7462 9.7462 11.7094 11.7094
12.4485 12.4485 12.5042 12.5042 12.6172 12.6172 12.7064 12.7064
12.7612 12.7612 12.7975 12.7975 17.2641 17.2641 17.2720 17.2720
20.7225 20.7225 20.7399 20.7399 21.0207 21.0207 21.7986 21.7986
22.1319 22.1319 22.3775 22.3775 22.9279 22.9279 22.9576 22.9576
23.0634 23.0634
k = 0.4030 0.4030 0.4030 ( 3337 PWs) bands (ev):
-55.0859 -55.0859 -55.0778 -55.0778 -55.0778 -55.0778 -26.6122 -26.6122
-26.5875 -26.5875 -26.5691 -26.5691 -17.4601 -17.4601 -17.2250 -17.2250
-16.9639 -16.9639 -16.9555 -16.9555 -16.5233 -16.5233 -16.5004 -16.5004
3.1507 3.1507 5.1614 5.1614 5.2972 5.2972 5.5916 5.5916
9.4691 9.4691 9.4991 9.4991 9.6697 9.6697 11.6643 11.6643
12.4153 12.4153 12.4645 12.4645 12.5785 12.5785 12.6621 12.6621
12.7187 12.7187 12.7492 12.7492 17.2868 17.2868 17.2937 17.2937
20.8346 20.8346 20.8564 20.8564 21.1488 21.1488 21.7830 21.7830
22.1287 22.1287 22.3711 22.3711 22.9723 22.9723 23.0014 23.0014
23.1207 23.1207
k = 0.4104 0.4104 0.4104 ( 3331 PWs) bands (ev):
-55.0851 -55.0851 -55.0782 -55.0782 -55.0782 -55.0782 -26.6120 -26.6120
-26.5865 -26.5865 -26.5710 -26.5710 -17.4648 -17.4648 -17.2307 -17.2307
-16.9630 -16.9630 -16.9556 -16.9556 -16.5167 -16.5167 -16.4970 -16.4970
3.2022 3.2022 5.2088 5.2088 5.3254 5.3254 5.6304 5.6304
9.4171 9.4171 9.4459 9.4459 9.5970 9.5970 11.6218 11.6218
12.3841 12.3841 12.4270 12.4270 12.5426 12.5426 12.6211 12.6211
12.6791 12.6791 12.7044 12.7044 17.3087 17.3087 17.3147 17.3147
20.9423 20.9423 20.9687 20.9687 21.2724 21.2724 21.7695 21.7695
22.1273 22.1273 22.3655 22.3655 23.0149 23.0149 23.0427 23.0427
23.1763 23.1763
k = 0.4179 0.4179 0.4179 ( 3325 PWs) bands (ev):
-55.0844 -55.0844 -55.0785 -55.0785 -55.0785 -55.0785 -26.6118 -26.6118
-26.5855 -26.5855 -26.5728 -26.5728 -17.4693 -17.4693 -17.2360 -17.2360
-16.9621 -16.9621 -16.9556 -16.9556 -16.5105 -16.5105 -16.4939 -16.4939
3.2506 3.2506 5.2533 5.2533 5.3520 5.3520 5.6675 5.6675
9.3687 9.3687 9.3964 9.3964 9.5283 9.5283 11.5820 11.5820
12.3552 12.3552 12.3919 12.3919 12.5095 12.5095 12.5832 12.5832
12.6425 12.6425 12.6632 12.6632 17.3296 17.3296 17.3348 17.3348
21.0447 21.0447 21.0758 21.0758 21.3897 21.3897 21.7589 21.7589
22.1284 22.1284 22.3610 22.3610 23.0554 23.0554 23.0813 23.0813
23.2297 23.2297
k = 0.4254 0.4254 0.4254 ( 3337 PWs) bands (ev):
-55.0837 -55.0837 -55.0789 -55.0789 -55.0789 -55.0789 -26.6118 -26.6118
-26.5847 -26.5847 -26.5743 -26.5743 -17.4734 -17.4734 -17.2409 -17.2409
-16.9613 -16.9613 -16.9557 -16.9557 -16.5047 -16.5047 -16.4910 -16.4910
3.2956 3.2956 5.2948 5.2948 5.3767 5.3767 5.7027 5.7027
9.3241 9.3241 9.3505 9.3505 9.4641 9.4641 11.5452 11.5452
12.3285 12.3285 12.3593 12.3593 12.4789 12.4789 12.5486 12.5486
12.6089 12.6089 12.6254 12.6254 17.3494 17.3494 17.3538 17.3538
21.1410 21.1410 21.1769 21.1769 21.4972 21.4972 21.7533 21.7533
22.1328 22.1328 22.3578 22.3578 23.0937 23.0937 23.1173 23.1173
23.2805 23.2805
k = 0.4328 0.4328 0.4328 ( 3337 PWs) bands (ev):
-55.0831 -55.0831 -55.0792 -55.0792 -55.0792 -55.0792 -26.6119 -26.6119
-26.5839 -26.5839 -26.5757 -26.5757 -17.4773 -17.4773 -17.2454 -17.2454
-16.9605 -16.9605 -16.9559 -16.9559 -16.4994 -16.4994 -16.4882 -16.4882
3.3371 3.3371 5.3329 5.3329 5.3996 5.3996 5.7358 5.7358
9.2833 9.2833 9.3084 9.3084 9.4049 9.4049 11.5113 11.5113
12.3041 12.3041 12.3295 12.3295 12.4510 12.4510 12.5174 12.5174
12.5784 12.5784 12.5914 12.5914 17.3678 17.3678 17.3715 17.3715
21.2306 21.2306 21.2708 21.2708 21.5869 21.5869 21.7590 21.7590
22.1416 22.1416 22.3561 22.3561 23.1296 23.1296 23.1504 23.1504
23.3284 23.3284
k = 0.4403 0.4403 0.4403 ( 3337 PWs) bands (ev):
-55.0826 -55.0826 -55.0794 -55.0794 -55.0794 -55.0794 -26.6120 -26.6120
-26.5832 -26.5832 -26.5768 -26.5768 -17.4808 -17.4808 -17.2494 -17.2494
-16.9597 -16.9597 -16.9560 -16.9560 -16.4946 -16.4946 -16.4857 -16.4857
3.3748 3.3748 5.3675 5.3675 5.4204 5.4204 5.7664 5.7664
9.2465 9.2465 9.2699 9.2699 9.3510 9.3510 11.4807 11.4807
12.2821 12.2821 12.3024 12.3024 12.4256 12.4256 12.4896 12.4896
12.5511 12.5511 12.5609 12.5609 17.3849 17.3849 17.3878 17.3878
21.3125 21.3125 21.3563 21.3563 21.6429 21.6429 21.7897 21.7897
22.1562 22.1562 22.3557 22.3557 23.1628 23.1628 23.1806 23.1806
23.3728 23.3728
k = 0.4478 0.4478 0.4478 ( 3346 PWs) bands (ev):
-55.0821 -55.0821 -55.0797 -55.0797 -55.0797 -55.0797 -26.6121 -26.6121
-26.5826 -26.5826 -26.5778 -26.5778 -17.4840 -17.4840 -17.2529 -17.2529
-16.9591 -16.9591 -16.9562 -16.9562 -16.4904 -16.4904 -16.4835 -16.4835
3.4087 3.4087 5.3985 5.3985 5.4391 5.4391 5.7944 5.7944
9.2137 9.2137 9.2350 9.2350 9.3031 9.3031 11.4533 11.4533
12.2626 12.2626 12.2783 12.2783 12.4029 12.4029 12.4652 12.4652
12.5268 12.5268 12.5341 12.5341 17.4002 17.4002 17.4026 17.4026
21.3861 21.3861 21.4322 21.4322 21.6630 21.6630 21.8451 21.8451
22.1780 22.1780 22.3568 22.3568 23.1931 23.1931 23.2078 23.2078
23.4134 23.4134
k = 0.4552 0.4552 0.4552 ( 3352 PWs) bands (ev):
-55.0817 -55.0817 -55.0799 -55.0799 -55.0799 -55.0799 -26.6123 -26.6123
-26.5821 -26.5821 -26.5786 -26.5786 -17.4867 -17.4867 -17.2560 -17.2560
-16.9585 -16.9585 -16.9563 -16.9563 -16.4866 -16.4866 -16.4816 -16.4816
3.4384 3.4384 5.4257 5.4257 5.4555 5.4555 5.8194 5.8194
9.1851 9.1851 9.2037 9.2037 9.2616 9.2616 11.4294 11.4294
12.2455 12.2455 12.2572 12.2572 12.3829 12.3829 12.4442 12.4442
12.5058 12.5058 12.5109 12.5109 17.4139 17.4139 17.4156 17.4156
21.4506 21.4506 21.4974 21.4974 21.6675 21.6675 21.9030 21.9030
22.2078 22.2078 22.3591 22.3591 23.2204 23.2204 23.2319 23.2319
23.4498 23.4498
k = 0.4627 0.4627 0.4627 ( 3358 PWs) bands (ev):
-55.0813 -55.0813 -55.0801 -55.0801 -55.0801 -55.0801 -26.6125 -26.6125
-26.5816 -26.5816 -26.5792 -26.5792 -17.4891 -17.4891 -17.2586 -17.2586
-16.9580 -16.9580 -16.9564 -16.9564 -16.4834 -16.4834 -16.4799 -16.4799
3.4638 3.4638 5.4489 5.4489 5.4696 5.4696 5.8411 5.8411
9.1607 9.1607 9.1758 9.1758 9.2269 9.2269 11.4089 11.4089
12.2310 12.2310 12.2392 12.2392 12.3657 12.3657 12.4265 12.4265
12.4880 12.4880 12.4914 12.4914 17.4256 17.4256 17.4268 17.4268
21.5057 21.5057 21.5504 21.5504 21.6685 21.6685 21.9515 21.9515
22.2443 22.2443 22.3623 22.3623 23.2443 23.2443 23.2527 23.2527
23.4814 23.4814
k = 0.4701 0.4701 0.4701 ( 3352 PWs) bands (ev):
-55.0810 -55.0810 -55.0802 -55.0802 -55.0802 -55.0802 -26.6127 -26.6127
-26.5812 -26.5812 -26.5797 -26.5797 -17.4911 -17.4911 -17.2607 -17.2607
-16.9575 -16.9575 -16.9565 -16.9565 -16.4807 -16.4807 -16.4785 -16.4785
3.4848 3.4848 5.4680 5.4680 5.4813 5.4813 5.8593 5.8593
9.1407 9.1407 9.1517 9.1517 9.1994 9.1994 11.3921 11.3921
12.2190 12.2190 12.2243 12.2243 12.3515 12.3515 12.4121 12.4121
12.4733 12.4733 12.4755 12.4755 17.4354 17.4354 17.4362 17.4362
21.5508 21.5508 21.5899 21.5899 21.6708 21.6708 21.9887 21.9887
22.2836 22.2836 22.3660 22.3660 23.2645 23.2645 23.2701 23.2701
23.5080 23.5080
k = 0.4776 0.4776 0.4776 ( 3328 PWs) bands (ev):
-55.0808 -55.0808 -55.0803 -55.0803 -55.0803 -55.0803 -26.6128 -26.6128
-26.5809 -26.5809 -26.5800 -26.5800 -17.4926 -17.4926 -17.2623 -17.2623
-16.9572 -16.9572 -16.9566 -16.9566 -16.4786 -16.4786 -16.4774 -16.4774
3.5013 3.5013 5.4830 5.4830 5.4905 5.4905 5.8737 5.8737
9.1251 9.1251 9.1319 9.1319 9.1786 9.1786 11.3789 11.3789
12.2097 12.2097 12.2127 12.2127 12.3403 12.3403 12.4010 12.4010
12.4620 12.4620 12.4632 12.4632 17.4431 17.4431 17.4436 17.4436
21.5859 21.5859 21.6143 21.6143 21.6773 21.6773 22.0160 22.0160
22.3204 22.3204 22.3697 22.3697 23.2807 23.2807 23.2840 23.2840
23.5291 23.5291
k = 0.4851 0.4851 0.4851 ( 3328 PWs) bands (ev):
-55.0806 -55.0806 -55.0804 -55.0804 -55.0804 -55.0804 -26.6129 -26.6129
-26.5806 -26.5806 -26.5803 -26.5803 -17.4937 -17.4937 -17.2635 -17.2635
-16.9569 -16.9569 -16.9567 -16.9567 -16.4771 -16.4771 -16.4766 -16.4766
3.5131 3.5131 5.4937 5.4937 5.4971 5.4971 5.8842 5.8842
9.1138 9.1138 9.1171 9.1171 9.1642 9.1642 11.3694 11.3694
12.2031 12.2031 12.2044 12.2044 12.3323 12.3323 12.3931 12.3931
12.4538 12.4538 12.4544 12.4544 17.4487 17.4487 17.4489 17.4489
21.6109 21.6109 21.6257 21.6257 21.6870 21.6870 22.0348 22.0348
22.3500 22.3500 22.3728 22.3728 23.2925 23.2925 23.2940 23.2940
23.5444 23.5444
k = 0.4925 0.4925 0.4925 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0804 -55.0804 -55.0804 -55.0804 -26.6129 -26.6129
-26.5805 -26.5805 -26.5804 -26.5804 -17.4943 -17.4943 -17.2642 -17.2642
-16.9568 -16.9568 -16.9567 -16.9567 -16.4762 -16.4762 -16.4761 -16.4761
3.5203 3.5203 5.5002 5.5002 5.5010 5.5010 5.8905 5.8905
9.1071 9.1071 9.1079 9.1079 9.1558 9.1558 11.3638 11.3638
12.1990 12.1990 12.1994 12.1994 12.3274 12.3274 12.3884 12.3884
12.4490 12.4490 12.4491 12.4491 17.4520 17.4520 17.4521 17.4521
21.6259 21.6259 21.6298 21.6298 21.6950 21.6950 22.0460 22.0460
22.3691 22.3691 22.3749 22.3749 23.2998 23.2998 23.3001 23.3001
23.5537 23.5537
k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6130 -26.6130
-26.5805 -26.5805 -26.5805 -26.5805 -17.4945 -17.4945 -17.2644 -17.2644
-16.9567 -16.9567 -16.9567 -16.9567 -16.4759 -16.4759 -16.4759 -16.4759
3.5226 3.5226 5.5023 5.5023 5.5023 5.5023 5.8927 5.8927
9.1048 9.1048 9.1048 9.1048 9.1530 9.1530 11.3619 11.3619
12.1977 12.1977 12.1977 12.1977 12.3258 12.3258 12.3868 12.3868
12.4473 12.4473 12.4473 12.4473 17.4532 17.4532 17.4532 17.4532
21.6308 21.6308 21.6308 21.6308 21.6980 21.6980 22.0497 22.0497
22.3756 22.3756 22.3756 22.3756 23.3022 23.3022 23.3022 23.3022
23.5569 23.5569
k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6130 -26.6130
-26.5805 -26.5805 -26.5805 -26.5805 -17.4945 -17.4945 -17.2644 -17.2644
-16.9567 -16.9567 -16.9567 -16.9567 -16.4759 -16.4759 -16.4759 -16.4759
3.5226 3.5226 5.5023 5.5023 5.5023 5.5023 5.8927 5.8927
9.1048 9.1048 9.1048 9.1048 9.1530 9.1530 11.3619 11.3619
12.1977 12.1977 12.1977 12.1977 12.3258 12.3258 12.3868 12.3868
12.4473 12.4473 12.4473 12.4473 17.4532 17.4532 17.4532 17.4532
21.6308 21.6308 21.6308 21.6308 21.6980 21.6980 22.0497 22.0497
22.3756 22.3756 22.3756 22.3756 23.3022 23.3022 23.3022 23.3022
23.5569 23.5569
k = 0.4907 0.5000 0.4907 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0804 -55.0804 -26.6129 -26.6129
-26.5805 -26.5805 -26.5804 -26.5804 -17.4943 -17.4943 -17.2642 -17.2642
-16.9568 -16.9568 -16.9567 -16.9567 -16.4762 -16.4762 -16.4761 -16.4761
3.5202 3.5202 5.4999 5.4999 5.5012 5.5012 5.8905 5.8905
9.1070 9.1070 9.1082 9.1082 9.1559 9.1559 11.3638 11.3638
12.1991 12.1991 12.1994 12.1994 12.3274 12.3274 12.3884 12.3884
12.4490 12.4490 12.4492 12.4492 17.4507 17.4507 17.4533 17.4533
21.6259 21.6259 21.6296 21.6296 21.6949 21.6949 22.0459 22.0459
22.3693 22.3693 22.3745 22.3745 23.2992 23.2992 23.3005 23.3005
23.5537 23.5537
k = 0.4815 0.5000 0.4815 ( 3328 PWs) bands (ev):
-55.0806 -55.0806 -55.0805 -55.0805 -55.0804 -55.0804 -26.6129 -26.6129
-26.5806 -26.5806 -26.5803 -26.5803 -17.4936 -17.4936 -17.2635 -17.2635
-16.9569 -16.9569 -16.9566 -16.9566 -16.4772 -16.4772 -16.4766 -16.4766
3.5129 3.5129 5.4927 5.4927 5.4977 5.4977 5.8840 5.8840
9.1134 9.1134 9.1180 9.1180 9.1646 9.1646 11.3696 11.3696
12.2032 12.2032 12.2045 12.2045 12.3324 12.3324 12.3933 12.3933
12.4539 12.4539 12.4548 12.4548 17.4435 17.4435 17.4538 17.4538
21.6107 21.6107 21.6256 21.6256 21.6863 21.6863 22.0344 22.0344
22.3509 22.3509 22.3711 22.3711 23.2903 23.2903 23.2957 23.2957
23.5442 23.5442
k = 0.4722 0.5000 0.4722 ( 3334 PWs) bands (ev):
-55.0807 -55.0807 -55.0805 -55.0805 -55.0802 -55.0802 -26.6128 -26.6128
-26.5808 -26.5808 -26.5801 -26.5801 -17.4925 -17.4925 -17.2623 -17.2623
-16.9572 -16.9572 -16.9565 -16.9565 -16.4787 -16.4787 -16.4774 -16.4774
3.5008 3.5008 5.4808 5.4808 5.4918 5.4918 5.8733 5.8733
9.1239 9.1239 9.1337 9.1337 9.1798 9.1798 11.3794 11.3794
12.2098 12.2098 12.2128 12.2128 12.3405 12.3405 12.4014 12.4014
12.4623 12.4623 12.4643 12.4643 17.4315 17.4315 17.4547 17.4547
21.5837 21.5837 21.6180 21.6180 21.6739 21.6739 22.0154 22.0154
22.3222 22.3222 22.3657 22.3657 23.2756 23.2756 23.2879 23.2879
23.5286 23.5286
k = 0.4630 0.5000 0.4630 ( 3342 PWs) bands (ev):
-55.0809 -55.0809 -55.0805 -55.0805 -55.0801 -55.0801 -26.6126 -26.6126
-26.5811 -26.5811 -26.5798 -26.5798 -17.4909 -17.4909 -17.2606 -17.2606
-16.9576 -16.9576 -16.9564 -16.9564 -16.4808 -16.4808 -16.4786 -16.4786
3.4839 3.4839 5.4643 5.4643 5.4836 5.4836 5.8587 5.8587
9.1382 9.1382 9.1546 9.1546 9.2020 9.2020 11.3929 11.3929
12.2187 12.2187 12.2241 12.2241 12.3516 12.3516 12.4129 12.4129
12.4743 12.4743 12.4781 12.4781 17.4149 17.4149 17.4558 17.4558
21.5431 21.5431 21.6050 21.6050 21.6600 21.6600 21.9890 21.9890
22.2860 22.2860 22.3586 22.3586 23.2552 23.2552 23.2773 23.2773
23.5074 23.5074
k = 0.4537 0.5000 0.4537 ( 3350 PWs) bands (ev):
-55.0811 -55.0811 -55.0805 -55.0805 -55.0799 -55.0799 -26.6125 -26.6125
-26.5814 -26.5814 -26.5794 -26.5794 -17.4889 -17.4889 -17.2584 -17.2584
-16.9582 -16.9582 -16.9563 -16.9563 -16.4835 -16.4835 -16.4801 -16.4801
3.4625 3.4625 5.4433 5.4433 5.4729 5.4729 5.8404 5.8404
9.1561 9.1561 9.1798 9.1798 9.2320 9.2320 11.4102 11.4102
12.2295 12.2295 12.2383 12.2383 12.3655 12.3655 12.4278 12.4278
12.4900 12.4900 12.4965 12.4965 17.3937 17.3937 17.4573 17.4573
21.4874 21.4874 21.5856 21.5856 21.6464 21.6464 21.9561 21.9561
22.2450 22.2450 22.3501 22.3501 23.2291 23.2291 23.2643 23.2643
23.4811 23.4811
k = 0.4444 0.5000 0.4444 ( 3348 PWs) bands (ev):
-55.0814 -55.0814 -55.0805 -55.0805 -55.0796 -55.0796 -26.6122 -26.6122
-26.5818 -26.5818 -26.5788 -26.5788 -17.4865 -17.4865 -17.2558 -17.2558
-16.9588 -16.9588 -16.9560 -16.9560 -16.4867 -16.4867 -16.4819 -16.4819
3.4367 3.4367 5.4180 5.4180 5.4598 5.4598 5.8187 5.8187
9.1771 9.1771 9.2091 9.2091 9.2699 9.2699 11.4313 11.4313
12.2415 12.2415 12.2549 12.2549 12.3821 12.3821 12.4463 12.4463
12.5098 12.5098 12.5198 12.5198 17.3683 17.3683 17.4590 17.4590
21.4155 21.4155 21.5598 21.5598 21.6327 21.6327 21.9180 21.9180
22.2016 22.2016 22.3407 22.3407 23.1977 23.1977 23.2492 23.2492
23.4503 23.4503
k = 0.4352 0.5000 0.4352 ( 3348 PWs) bands (ev):
-55.0817 -55.0817 -55.0805 -55.0805 -55.0793 -55.0793 -26.6121 -26.6121
-26.5822 -26.5822 -26.5782 -26.5782 -17.4836 -17.4836 -17.2526 -17.2526
-16.9595 -16.9595 -16.9558 -16.9558 -16.4904 -16.4904 -16.4841 -16.4841
3.4067 3.4067 5.3888 5.3888 5.4441 5.4441 5.7942 5.7942
9.2010 9.2010 9.2425 9.2425 9.3152 9.3152 11.4560 11.4560
12.2544 12.2544 12.2736 12.2736 12.4017 12.4017 12.4686 12.4686
12.5337 12.5337 12.5483 12.5483 17.3387 17.3387 17.4611 17.4611
21.3275 21.3275 21.5287 21.5287 21.6174 21.6174 21.8764 21.8764
22.1572 22.1572 22.3311 22.3311 23.1609 23.1609 23.2323 23.2323
23.4156 23.4156
k = 0.4259 0.5000 0.4259 ( 3352 PWs) bands (ev):
-55.0821 -55.0821 -55.0805 -55.0805 -55.0789 -55.0789 -26.6119 -26.6119
-26.5827 -26.5827 -26.5775 -26.5775 -17.4804 -17.4804 -17.2491 -17.2491
-16.9604 -16.9604 -16.9555 -16.9555 -16.4947 -16.4947 -16.4865 -16.4865
3.3728 3.3728 5.3557 5.3557 5.4259 5.4259 5.7673 5.7673
9.2276 9.2276 9.2802 9.2802 9.3673 9.3673 11.4842 11.4842
12.2674 12.2674 12.2940 12.2940 12.4243 12.4243 12.4950 12.4950
12.5618 12.5618 12.5818 12.5818 17.3053 17.3053 17.4633 17.4633
21.2240 21.2240 21.4932 21.4932 21.5991 21.5991 21.8334 21.8334
22.1123 22.1123 22.3218 22.3218 23.1190 23.1190 23.2139 23.2139
23.3776 23.3776
k = 0.4167 0.5000 0.4167 ( 3348 PWs) bands (ev):
-55.0825 -55.0825 -55.0805 -55.0805 -55.0785 -55.0785 -26.6117 -26.6117
-26.5831 -26.5831 -26.5766 -26.5766 -17.4768 -17.4768 -17.2450 -17.2450
-16.9614 -16.9614 -16.9551 -16.9551 -16.4994 -16.4994 -16.4893 -16.4893
3.3350 3.3350 5.3191 5.3191 5.4049 5.4049 5.7385 5.7385
9.2566 9.2566 9.3222 9.3222 9.4256 9.4256 11.5159 11.5159
12.2804 12.2804 12.3156 12.3156 12.4502 12.4502 12.5256 12.5256
12.5942 12.5942 12.6205 12.6205 17.2683 17.2683 17.4658 17.4658
21.1067 21.1067 21.4542 21.4542 21.5762 21.5762 21.7906 21.7906
22.0669 22.0669 22.3135 22.3135 23.0721 23.0721 23.1942 23.1942
23.3371 23.3371
k = 0.4074 0.5000 0.4074 ( 3348 PWs) bands (ev):
-55.0830 -55.0830 -55.0805 -55.0805 -55.0780 -55.0780 -26.6117 -26.6117
-26.5836 -26.5836 -26.5756 -26.5756 -17.4728 -17.4728 -17.2405 -17.2405
-16.9625 -16.9625 -16.9547 -16.9547 -16.5046 -16.5046 -16.4924 -16.4924
3.2938 3.2938 5.2793 5.2793 5.3811 5.3811 5.7083 5.7083
9.2879 9.2879 9.3687 9.3687 9.4895 9.4895 11.5510 11.5510
12.2929 12.2929 12.3380 12.3380 12.4796 12.4796 12.5607 12.5607
12.6309 12.6309 12.6641 12.6641 17.2281 17.2281 17.4684 17.4684
20.9775 20.9775 21.4123 21.4123 21.5478 21.5478 21.7491 21.7491
22.0207 22.0207 22.3067 22.3067 23.0204 23.0204 23.1733 23.1733
23.2947 23.2947
k = 0.3981 0.5000 0.3981 ( 3344 PWs) bands (ev):
-55.0835 -55.0835 -55.0805 -55.0805 -55.0775 -55.0775 -26.6117 -26.6117
-26.5841 -26.5841 -26.5744 -26.5744 -17.4684 -17.4684 -17.2356 -17.2356
-16.9637 -16.9637 -16.9542 -16.9542 -16.5102 -16.5102 -16.4958 -16.4958
3.2494 3.2494 5.2364 5.2364 5.3545 5.3545 5.6771 5.6771
9.3212 9.3212 9.4196 9.4196 9.5584 9.5584 11.5892 11.5892
12.3049 12.3049 12.3609 12.3609 12.5125 12.5125 12.6004 12.6004
12.6717 12.6717 12.7125 12.7125 17.1849 17.1849 17.4712 17.4712
20.8386 20.8386 21.3681 21.3681 21.5134 21.5134 21.7092 21.7092
21.9733 21.9733 22.3022 22.3022 22.9642 22.9642 23.1512 23.1512
23.2510 23.2510
k = 0.3889 0.5000 0.3889 ( 3340 PWs) bands (ev):
-55.0840 -55.0840 -55.0805 -55.0805 -55.0770 -55.0770 -26.6118 -26.6118
-26.5845 -26.5845 -26.5732 -26.5732 -17.4637 -17.4637 -17.2302 -17.2302
-16.9651 -16.9651 -16.9536 -16.9536 -16.5161 -16.5161 -16.4995 -16.4995
3.2021 3.2021 5.1909 5.1909 5.3250 5.3250 5.6455 5.6455
9.3564 9.3564 9.4748 9.4748 9.6318 9.6318 11.6306 11.6306
12.3164 12.3164 12.3843 12.3843 12.5488 12.5488 12.6447 12.6447
12.7168 12.7168 12.7654 12.7654 17.1391 17.1391 17.4741 17.4741
20.6919 20.6919 21.3221 21.3221 21.4733 21.4733 21.6708 21.6708
21.9244 21.9244 22.3002 22.3002 22.9037 22.9037 23.1277 23.1277
23.2070 23.2070
k = 0.3796 0.5000 0.3796 ( 3344 PWs) bands (ev):
-55.0846 -55.0846 -55.0805 -55.0805 -55.0764 -55.0764 -26.6120 -26.6120
-26.5850 -26.5850 -26.5718 -26.5718 -17.4588 -17.4588 -17.2244 -17.2244
-16.9666 -16.9666 -16.9531 -16.9531 -16.5224 -16.5224 -16.5035 -16.5035
3.1521 3.1521 5.1429 5.1429 5.2927 5.2927 5.6138 5.6138
9.3934 9.3934 9.5342 9.5342 9.7092 9.7092 11.6748 11.6748
12.3276 12.3276 12.4080 12.4080 12.5883 12.5883 12.6935 12.6935
12.7659 12.7659 12.8225 12.8225 17.0911 17.0911 17.4771 17.4771
20.5393 20.5393 21.2746 21.2746 21.4282 21.4282 21.6329 21.6329
21.8739 21.8739 22.3011 22.3011 22.8391 22.8391 23.1022 23.1022
23.1640 23.1640
k = 0.3704 0.5000 0.3704 ( 3342 PWs) bands (ev):
-55.0852 -55.0852 -55.0805 -55.0805 -55.0758 -55.0758 -26.6124 -26.6124
-26.5854 -26.5854 -26.5702 -26.5702 -17.4536 -17.4536 -17.2182 -17.2182
-16.9683 -16.9683 -16.9524 -16.9524 -16.5290 -16.5290 -16.5077 -16.5077
3.0997 3.0997 5.0928 5.0928 5.2576 5.2576 5.5824 5.5824
9.4319 9.4319 9.5976 9.5976 9.7903 9.7903 11.7219 11.7219
12.3386 12.3386 12.4321 12.4321 12.6308 12.6308 12.7468 12.7468
12.8191 12.8191 12.8836 12.8836 17.0413 17.0413 17.4800 17.4800
20.3822 20.3822 21.2262 21.2262 21.3793 21.3793 21.5946 21.5946
21.8217 21.8217 22.3048 22.3048 22.7707 22.7707 23.0729 23.0729
23.1240 23.1240
k = 0.3611 0.5000 0.3611 ( 3338 PWs) bands (ev):
-55.0859 -55.0859 -55.0805 -55.0805 -55.0751 -55.0751 -26.6129 -26.6129
-26.5857 -26.5857 -26.5685 -26.5685 -17.4481 -17.4481 -17.2117 -17.2117
-16.9701 -16.9701 -16.9516 -16.9516 -16.5358 -16.5358 -16.5123 -16.5123
3.0453 3.0453 5.0407 5.0407 5.2198 5.2198 5.5515 5.5515
9.4717 9.4717 9.6648 9.6648 9.8744 9.8744 11.7716 11.7716
12.3495 12.3495 12.4565 12.4565 12.6760 12.6760 12.8043 12.8043
12.8762 12.8762 12.9485 12.9485 16.9899 16.9899 17.4830 17.4830
20.2222 20.2222 21.1771 21.1771 21.3276 21.3276 21.5552 21.5552
21.7677 21.7677 22.3115 22.3115 22.6989 22.6989 23.0382 23.0382
23.0895 23.0895
k = 0.3519 0.5000 0.3519 ( 3338 PWs) bands (ev):
-55.0866 -55.0866 -55.0805 -55.0805 -55.0745 -55.0745 -26.6137 -26.6137
-26.5860 -26.5860 -26.5667 -26.5667 -17.4424 -17.4424 -17.2048 -17.2048
-16.9720 -16.9720 -16.9508 -16.9508 -16.5429 -16.5429 -16.5171 -16.5171
2.9890 2.9890 4.9870 4.9870 5.1797 5.1797 5.5212 5.5212
9.5127 9.5127 9.7358 9.7358 9.9613 9.9613 11.8239 11.8239
12.3605 12.3605 12.4814 12.4814 12.7235 12.7235 12.8658 12.8658
12.9370 12.9370 13.0169 13.0169 16.9376 16.9376 17.4858 17.4858
20.0601 20.0601 21.1277 21.1277 21.2740 21.2740 21.5141 21.5141
21.7119 21.7119 22.3205 22.3205 22.6241 22.6241 22.9987 22.9987
23.0604 23.0604
k = 0.3426 0.5000 0.3426 ( 3338 PWs) bands (ev):
-55.0873 -55.0873 -55.0805 -55.0805 -55.0738 -55.0738 -26.6145 -26.6145
-26.5862 -26.5862 -26.5648 -26.5648 -17.4365 -17.4365 -17.1975 -17.1975
-16.9741 -16.9741 -16.9499 -16.9499 -16.5500 -16.5500 -16.5222 -16.5222
2.9312 2.9312 4.9318 4.9318 5.1375 5.1375 5.4916 5.4916
9.5548 9.5548 9.8104 9.8104 10.0505 10.0505 11.8784 11.8784
12.3715 12.3715 12.5068 12.5068 12.7731 12.7731 12.9311 12.9311
13.0016 13.0016 13.0887 13.0887 16.8845 16.8845 17.4886 17.4886
19.8971 19.8971 21.0783 21.0783 21.2192 21.2192 21.4710 21.4710
21.6544 21.6544 22.3311 22.3311 22.5473 22.5473 22.9572 22.9572
23.0343 23.0343
k = 0.3333 0.5000 0.3333 ( 3330 PWs) bands (ev):
-55.0881 -55.0881 -55.0805 -55.0805 -55.0730 -55.0730 -26.6155 -26.6155
-26.5863 -26.5863 -26.5627 -26.5627 -17.4304 -17.4304 -17.1899 -17.1899
-16.9763 -16.9763 -16.9488 -16.9488 -16.5572 -16.5572 -16.5276 -16.5276
2.8720 2.8720 4.8755 4.8755 5.0935 5.0935 5.4627 5.4627
9.5978 9.5978 9.8883 9.8883 10.1416 10.1416 11.9350 11.9350
12.3828 12.3828 12.5328 12.5328 12.8246 12.8246 12.9999 12.9999
13.0697 13.0697 13.1637 13.1637 16.8312 16.8312 17.4912 17.4912
19.7339 19.7339 21.0293 21.0293 21.1639 21.1639 21.4261 21.4261
21.5952 21.5952 22.3401 22.3401 22.4716 22.4716 22.9157 22.9157
23.0098 23.0098
k = 0.3241 0.5000 0.3241 ( 3334 PWs) bands (ev):
-55.0888 -55.0888 -55.0805 -55.0805 -55.0722 -55.0722 -26.6167 -26.6167
-26.5864 -26.5864 -26.5605 -26.5605 -17.4242 -17.4242 -17.1821 -17.1821
-16.9787 -16.9787 -16.9477 -16.9477 -16.5645 -16.5645 -16.5332 -16.5332
2.8119 2.8119 4.8182 4.8182 5.0481 5.0481 5.4345 5.4345
9.6416 9.6416 9.9694 9.9694 10.2343 10.2343 11.9937 11.9937
12.3944 12.3944 12.5594 12.5594 12.8775 12.8775 13.0718 13.0718
13.1413 13.1413 13.2418 13.2418 16.7780 16.7780 17.4936 17.4936
19.5712 19.5712 20.9808 20.9808 21.1084 21.1084 21.3792 21.3792
21.5344 21.5344 22.3302 22.3302 22.4140 22.4140 22.8756 22.8756
22.9861 22.9861
k = 0.3148 0.5000 0.3148 ( 3334 PWs) bands (ev):
-55.0896 -55.0896 -55.0805 -55.0805 -55.0715 -55.0715 -26.6181 -26.6181
-26.5865 -26.5865 -26.5582 -26.5582 -17.4179 -17.4179 -17.1740 -17.1740
-16.9813 -16.9813 -16.9465 -16.9465 -16.5718 -16.5718 -16.5391 -16.5391
2.7509 2.7509 4.7602 4.7602 5.0016 5.0016 5.4070 5.4070
9.6860 9.6860 10.0534 10.0534 10.3281 10.3281 12.0541 12.0541
12.4063 12.4063 12.5865 12.5865 12.9317 12.9317 13.1467 13.1467
13.2162 13.2162 13.3229 13.3229 16.7253 16.7253 17.4957 17.4957
19.4096 19.4096 20.9332 20.9332 21.0531 21.0531 21.3306 21.3306
21.4720 21.4720 22.2695 22.2695 22.4061 22.4061 22.8379 22.8379
22.9629 22.9629
k = 0.3056 0.5000 0.3056 ( 3342 PWs) bands (ev):
-55.0905 -55.0905 -55.0806 -55.0806 -55.0707 -55.0707 -26.6196 -26.6196
-26.5865 -26.5865 -26.5558 -26.5558 -17.4116 -17.4116 -17.1657 -17.1657
-16.9840 -16.9840 -16.9451 -16.9451 -16.5790 -16.5790 -16.5451 -16.5451
2.6893 2.6893 4.7017 4.7017 4.9543 4.9543 5.3800 5.3800
9.7309 9.7309 10.1402 10.1402 10.4228 10.4228 12.1162 12.1162
12.4186 12.4186 12.6141 12.6141 12.9868 12.9868 13.2242 13.2242
13.2942 13.2942 13.4070 13.4070 16.6736 16.6736 17.4975 17.4975
19.2497 19.2497 20.8865 20.8865 20.9985 20.9985 21.2804 21.2804
21.4081 21.4081 22.1864 22.1864 22.4193 22.4193 22.8033 22.8033
22.9402 22.9402
k = 0.2963 0.5000 0.2963 ( 3350 PWs) bands (ev):
-55.0913 -55.0913 -55.0806 -55.0806 -55.0699 -55.0699 -26.6212 -26.6212
-26.5864 -26.5864 -26.5534 -26.5534 -17.4051 -17.4051 -17.1573 -17.1573
-16.9869 -16.9869 -16.9437 -16.9437 -16.5862 -16.5862 -16.5514 -16.5514
2.6274 2.6274 4.6429 4.6429 4.9065 4.9065 5.3537 5.3537
9.7762 9.7762 10.2294 10.2294 10.5178 10.5178 12.1798 12.1798
12.4314 12.4314 12.6424 12.6424 13.0424 13.0424 13.3038 13.3038
13.3753 13.3753 13.4941 13.4941 16.6232 16.6232 17.4989 17.4989
19.0919 19.0919 20.8411 20.8411 20.9447 20.9447 21.2287 21.2287
21.3430 21.3430 22.0976 22.0976 22.4364 22.4364 22.7731 22.7731
22.9178 22.9178
k = 0.2870 0.5000 0.2870 ( 3342 PWs) bands (ev):
-55.0921 -55.0921 -55.0806 -55.0806 -55.0690 -55.0690 -26.6229 -26.6229
-26.5863 -26.5863 -26.5508 -26.5508 -17.3987 -17.3987 -17.1487 -17.1487
-16.9898 -16.9898 -16.9420 -16.9420 -16.5931 -16.5931 -16.5579 -16.5579
2.5654 2.5654 4.5840 4.5840 4.8586 4.8586 5.3278 5.3278
9.8219 9.8219 10.3210 10.3210 10.6131 10.6131 12.2445 12.2445
12.4448 12.4448 12.6711 12.6711 13.0984 13.0984 13.3852 13.3852
13.4591 13.4591 13.5841 13.5841 16.5746 16.5746 17.5000 17.5000
18.9367 18.9367 20.7971 20.7971 20.8920 20.8920 21.1753 21.1753
21.2770 21.2770 22.0061 22.0061 22.4532 22.4532 22.7484 22.7484
22.8960 22.8960
k = 0.2778 0.5000 0.2778 ( 3348 PWs) bands (ev):
-55.0930 -55.0930 -55.0806 -55.0806 -55.0682 -55.0682 -26.6246 -26.6246
-26.5862 -26.5862 -26.5482 -26.5482 -17.3922 -17.3922 -17.1400 -17.1400
-16.9929 -16.9929 -16.9403 -16.9403 -16.5998 -16.5998 -16.5646 -16.5646
2.5034 2.5034 4.5252 4.5252 4.8106 4.8106 5.3026 5.3026
9.8677 9.8677 10.4146 10.4146 10.7080 10.7080 12.3104 12.3104
12.4587 12.4587 12.7003 12.7003 13.1542 13.1542 13.4680 13.4680
13.5455 13.5455 13.6773 13.6773 16.5280 16.5280 17.5006 17.5006
18.7845 18.7845 20.7546 20.7546 20.8406 20.8406 21.1201 21.1201
21.2105 21.2105 21.9134 21.9134 22.4674 22.4674 22.7308 22.7308
22.8746 22.8746
k = 0.2685 0.5000 0.2685 ( 3344 PWs) bands (ev):
-55.0939 -55.0939 -55.0806 -55.0806 -55.0673 -55.0673 -26.6265 -26.6265
-26.5860 -26.5860 -26.5456 -26.5456 -17.3858 -17.3858 -17.1313 -17.1313
-16.9961 -16.9961 -16.9384 -16.9384 -16.6063 -16.6063 -16.5714 -16.5714
2.4417 2.4417 4.4667 4.4667 4.7629 4.7629 5.2778 5.2778
9.9136 9.9136 10.5100 10.5100 10.8024 10.8024 12.3771 12.3771
12.4731 12.4731 12.7300 12.7300 13.2097 13.2097 13.5519 13.5519
13.6341 13.6341 13.7735 13.7735 16.4840 16.4840 17.5006 17.5006
18.6356 18.6356 20.7139 20.7139 20.7907 20.7907 21.0621 21.0621
21.1447 21.1447 21.8200 21.8200 22.4768 22.4768 22.7221 22.7221
22.8538 22.8538
k = 0.2593 0.5000 0.2593 ( 3342 PWs) bands (ev):
-55.0947 -55.0947 -55.0806 -55.0806 -55.0665 -55.0665 -26.6284 -26.6284
-26.5858 -26.5858 -26.5429 -26.5429 -17.3795 -17.3795 -17.1225 -17.1225
-16.9995 -16.9995 -16.9363 -16.9363 -16.6125 -16.6125 -16.5784 -16.5784
2.3805 2.3805 4.4086 4.4086 4.7157 4.7157 5.2536 5.2536
9.9596 9.9596 10.6068 10.6068 10.8960 10.8960 12.4444 12.4444
12.4883 12.4883 12.7600 12.7600 13.2643 13.2643 13.6365 13.6365
13.7249 13.7249 13.8731 13.8731 16.4428 16.4428 17.5001 17.5001
18.4903 18.4903 20.6750 20.6750 20.7424 20.7424 21.0000 21.0000
21.0810 21.0810 21.7269 21.7269 22.4803 22.4803 22.7230 22.7230
22.8339 22.8339
k = 0.2500 0.5000 0.2500 ( 3342 PWs) bands (ev):
-55.0956 -55.0956 -55.0806 -55.0806 -55.0656 -55.0656 -26.6304 -26.6304
-26.5856 -26.5856 -26.5402 -26.5402 -17.3732 -17.3732 -17.1138 -17.1138
-17.0029 -17.0029 -16.9341 -16.9341 -16.6185 -16.6185 -16.5855 -16.5855
2.3198 2.3198 4.3511 4.3511 4.6691 4.6691 5.2299 5.2299
10.0054 10.0054 10.7049 10.7049 10.9883 10.9883 12.5036 12.5036
12.5127 12.5127 12.7903 12.7903 13.3179 13.3179 13.7215 13.7215
13.8174 13.8174 13.9758 13.9758 16.4048 16.4048 17.4989 17.4989
18.3489 18.3489 20.6380 20.6380 20.6958 20.6958 20.9324 20.9324
21.0211 21.0211 21.6347 21.6347 22.4780 22.4780 22.7326 22.7326
22.8154 22.8154
k = 0.2407 0.5000 0.2407 ( 3334 PWs) bands (ev):
-55.0965 -55.0965 -55.0806 -55.0806 -55.0647 -55.0647 -26.6324 -26.6324
-26.5853 -26.5853 -26.5374 -26.5374 -17.3671 -17.3671 -17.1052 -17.1052
-17.0063 -17.0063 -16.9317 -16.9317 -16.6241 -16.6241 -16.5926 -16.5926
2.2600 2.2600 4.2944 4.2944 4.6232 4.6232 5.2069 5.2069
10.0510 10.0510 10.8039 10.8039 11.0790 11.0790 12.5206 12.5206
12.5801 12.5801 12.8209 12.8209 13.3699 13.3699 13.8064 13.8064
13.9115 13.9115 14.0818 14.0818 16.3703 16.3703 17.4970 17.4970
18.2118 18.2118 20.6027 20.6027 20.6512 20.6512 20.8591 20.8591
20.9654 20.9654 21.5442 21.5442 22.4715 22.4715 22.7468 22.7468
22.8006 22.8006
k = 0.2315 0.5000 0.2315 ( 3350 PWs) bands (ev):
-55.0974 -55.0974 -55.0806 -55.0806 -55.0638 -55.0638 -26.6344 -26.6344
-26.5852 -26.5852 -26.5348 -26.5348 -17.3611 -17.3611 -17.0968 -17.0968
-17.0098 -17.0098 -16.9292 -16.9292 -16.6295 -16.6295 -16.5998 -16.5998
2.2010 2.2010 4.2386 4.2386 4.5783 4.5783 5.1843 5.1843
10.0963 10.0963 10.9034 10.9034 11.1680 11.1680 12.5380 12.5380
12.6478 12.6478 12.8517 12.8517 13.4201 13.4201 13.8909 13.8909
14.0071 14.0071 14.1910 14.1910 16.3396 16.3396 17.4943 17.4943
18.0791 18.0791 20.5687 20.5687 20.6088 20.6088 20.7809 20.7809
20.9135 20.9135 21.4562 21.4562 22.4626 22.4626 22.7536 22.7536
22.7994 22.7994
k = 0.2222 0.5000 0.2222 ( 3350 PWs) bands (ev):
-55.0983 -55.0983 -55.0806 -55.0806 -55.0630 -55.0630 -26.6364 -26.6364
-26.5849 -26.5849 -26.5321 -26.5321 -17.3553 -17.3553 -17.0885 -17.0885
-17.0132 -17.0132 -16.9265 -16.9265 -16.6346 -16.6346 -16.6070 -16.6070
2.1432 2.1432 4.1839 4.1839 4.5343 4.5343 5.1624 5.1624
10.1412 10.1412 11.0032 11.0032 11.2549 11.2549 12.5562 12.5562
12.7149 12.7149 12.8827 12.8827 13.4682 13.4682 13.9747 13.9747
14.1040 14.1040 14.3031 14.3031 16.3130 16.3130 17.4907 17.4907
17.9511 17.9511 20.5344 20.5344 20.5694 20.5694 20.6993 20.6993
20.8650 20.8650 21.3714 21.3714 22.4528 22.4528 22.7440 22.7440
22.8190 22.8190
k = 0.2130 0.5000 0.2130 ( 3354 PWs) bands (ev):
-55.0991 -55.0991 -55.0806 -55.0806 -55.0621 -55.0621 -26.6385 -26.6385
-26.5847 -26.5847 -26.5294 -26.5294 -17.3497 -17.3497 -17.0805 -17.0805
-17.0166 -17.0166 -16.9236 -16.9236 -16.6395 -16.6395 -16.6139 -16.6139
2.0867 2.0867 4.1304 4.1304 4.4916 4.4916 5.1412 5.1412
10.1856 10.1856 11.1027 11.1027 11.3395 11.3395 12.5754 12.5754
12.7810 12.7810 12.9142 12.9142 13.5138 13.5138 14.0573 14.0573
14.2022 14.2022 14.4181 14.4181 16.2906 16.2906 17.4861 17.4861
17.8282 17.8282 20.4956 20.4956 20.5349 20.5349 20.6173 20.6173
20.8195 20.8195 21.2907 21.2907 22.4432 22.4432 22.7283 22.7283
22.8475 22.8475
k = 0.2037 0.5000 0.2037 ( 3350 PWs) bands (ev):
-55.1000 -55.1000 -55.0806 -55.0806 -55.0613 -55.0613 -26.6405 -26.6405
-26.5844 -26.5844 -26.5268 -26.5268 -17.3444 -17.3444 -17.0729 -17.0729
-17.0199 -17.0199 -16.9206 -16.9206 -16.6444 -16.6444 -16.6205 -16.6205
2.0315 2.0315 4.0782 4.0782 4.4500 4.4500 5.1206 5.1206
10.2293 10.2293 11.2016 11.2016 11.4217 11.4217 12.5955 12.5955
12.8450 12.8450 12.9467 12.9467 13.5567 13.5567 14.1383 14.1383
14.3017 14.3017 14.5357 14.5357 16.2726 16.2726 17.4805 17.4805
17.7106 17.7106 20.4444 20.4444 20.5052 20.5052 20.5432 20.5432
20.7769 20.7769 21.2145 21.2145 22.4343 22.4343 22.7111 22.7111
22.8792 22.8792
k = 0.1944 0.5000 0.1944 ( 3342 PWs) bands (ev):
-55.1008 -55.1008 -55.0806 -55.0806 -55.0605 -55.0605 -26.6425 -26.6425
-26.5842 -26.5842 -26.5241 -26.5241 -17.3393 -17.3393 -17.0657 -17.0657
-17.0228 -17.0228 -16.9174 -16.9174 -16.6496 -16.6496 -16.6264 -16.6264
1.9778 1.9778 4.0276 4.0276 4.4098 4.4098 5.1006 5.1006
10.2723 10.2723 11.2992 11.2992 11.5014 11.5014 12.6166 12.6166
12.9053 12.9053 12.9814 12.9814 13.5967 13.5967 14.2175 14.2175
14.4023 14.4023 14.6555 14.6555 16.2590 16.2590 17.4737 17.4737
17.5986 17.5986 20.3712 20.3712 20.4736 20.4736 20.4942 20.4942
20.7373 20.7373 21.1432 21.1432 22.4263 22.4263 22.6931 22.6931
22.9123 22.9123
k = 0.1852 0.5000 0.1852 ( 3346 PWs) bands (ev):
-55.1017 -55.1017 -55.0807 -55.0807 -55.0597 -55.0597 -26.6445 -26.6445
-26.5839 -26.5839 -26.5216 -26.5216 -17.3344 -17.3344 -17.0592 -17.0592
-17.0253 -17.0253 -16.9142 -16.9142 -16.6553 -16.6553 -16.6315 -16.6315
1.9258 1.9258 3.9785 3.9785 4.3710 4.3710 5.0814 5.0814
10.3145 10.3145 11.3949 11.3949 11.5788 11.5788 12.6388 12.6388
12.9582 12.9582 13.0217 13.0217 13.6338 13.6338 14.2943 14.2943
14.5040 14.5040 14.7772 14.7772 16.2499 16.2499 17.4651 17.4651
17.4928 17.4928 20.2798 20.2798 20.4359 20.4359 20.4708 20.4708
20.7007 20.7007 21.0773 21.0773 22.4195 22.4195 22.6737 22.6737
22.9456 22.9456
k = 0.1759 0.5000 0.1759 ( 3342 PWs) bands (ev):
-55.1024 -55.1024 -55.0807 -55.0807 -55.0589 -55.0589 -26.6465 -26.6465
-26.5837 -26.5837 -26.5191 -26.5191 -17.3299 -17.3299 -17.0538 -17.0538
-17.0268 -17.0268 -16.9107 -16.9107 -16.6617 -16.6617 -16.6355 -16.6355
1.8755 1.8755 3.9311 3.9311 4.3337 4.3337 5.0630 5.0630
10.3556 10.3556 11.4876 11.4876 11.6542 11.6542 12.6620 12.6620
13.0004 13.0004 13.0703 13.0703 13.6678 13.6678 14.3685 14.3685
14.6069 14.6069 14.9006 14.9006 16.2451 16.2451 17.3916 17.3916
17.4568 17.4568 20.1791 20.1791 20.4018 20.4018 20.4551 20.4551
20.6674 20.6674 21.0166 21.0166 22.4137 22.4137 22.6513 22.6513
22.9778 22.9778
k = 0.1667 0.5000 0.1667 ( 3342 PWs) bands (ev):
-55.1032 -55.1032 -55.0807 -55.0807 -55.0581 -55.0581 -26.6484 -26.6484
-26.5835 -26.5835 -26.5167 -26.5167 -17.3257 -17.3257 -17.0501 -17.0501
-17.0268 -17.0268 -16.9071 -16.9071 -16.6687 -16.6687 -16.6384 -16.6384
1.8272 1.8272 3.8856 3.8856 4.2980 4.2980 5.0453 5.0453
10.3957 10.3957 11.5759 11.5759 11.7286 11.7286 12.6861 12.6861
13.0343 13.0343 13.1245 13.1245 13.6987 13.6987 14.4395 14.4395
14.7107 14.7107 15.0251 15.0251 16.2445 16.2445 17.2978 17.2978
17.4457 17.4457 20.0735 20.0735 20.3711 20.3711 20.4437 20.4437
20.6372 20.6372 20.9614 20.9614 22.4087 22.4087 22.6219 22.6219
23.0031 23.0031
k = 0.1574 0.5000 0.1574 ( 3342 PWs) bands (ev):
-55.1040 -55.1040 -55.0807 -55.0807 -55.0574 -55.0574 -26.6502 -26.6502
-26.5832 -26.5832 -26.5143 -26.5143 -17.3218 -17.3218 -17.0487 -17.0487
-17.0246 -17.0246 -16.9035 -16.9035 -16.6762 -16.6762 -16.6404 -16.6404
1.7808 1.7808 3.8419 3.8419 4.2638 4.2638 5.0285 5.0285
10.4346 10.4346 11.6582 11.6582 11.8031 11.8031 12.7112 12.7112
13.0637 13.0637 13.1799 13.1799 13.7267 13.7267 14.5070 14.5070
14.8155 14.8155 15.1504 15.1504 16.2479 16.2479 17.2105 17.2105
17.4330 17.4330 19.9649 19.9649 20.3433 20.3433 20.4359 20.4359
20.6103 20.6103 20.9114 20.9114 22.4039 22.4039 22.5764 22.5764
22.9545 22.9545
k = 0.1481 0.5000 0.1481 ( 3358 PWs) bands (ev):
-55.1047 -55.1047 -55.0807 -55.0807 -55.0567 -55.0567 -26.6521 -26.6521
-26.5830 -26.5830 -26.5121 -26.5121 -17.3183 -17.3183 -17.0491 -17.0491
-17.0208 -17.0208 -16.8997 -16.8997 -16.6841 -16.6841 -16.6417 -16.6417
1.7365 1.7365 3.8003 3.8003 4.2314 4.2314 5.0124 5.0124
10.4721 10.4721 11.7326 11.7326 11.8791 11.8791 12.7369 12.7369
13.0905 13.0905 13.2342 13.2342 13.7520 13.7520 14.5704 14.5704
14.9211 14.9211 15.2760 15.2760 16.2548 16.2548 17.1300 17.1300
17.4186 17.4186 19.8545 19.8545 20.3180 20.3180 20.4316 20.4316
20.5866 20.5866 20.8667 20.8667 22.3963 22.3963 22.5007 22.5007
22.8470 22.8470
k = 0.1389 0.5000 0.1389 ( 3358 PWs) bands (ev):
-55.1054 -55.1054 -55.0807 -55.0807 -55.0560 -55.0560 -26.6538 -26.6538
-26.5828 -26.5828 -26.5099 -26.5099 -17.3150 -17.3150 -17.0505 -17.0505
-17.0161 -17.0161 -16.8959 -16.8959 -16.6923 -16.6923 -16.6424 -16.6424
1.6943 1.6943 3.7607 3.7607 4.2007 4.2007 4.9972 4.9972
10.5082 10.5082 11.7982 11.7982 11.9571 11.9571 12.7632 12.7632
13.1154 13.1154 13.2863 13.2863 13.7749 13.7749 14.6295 14.6295
15.0275 15.0275 15.4014 15.4014 16.2649 16.2649 17.0566 17.0566
17.4022 17.4022 19.7433 19.7433 20.2953 20.2953 20.4306 20.4306
20.5662 20.5662 20.8269 20.8269 22.3480 22.3480 22.4237 22.4237
22.7787 22.7787
k = 0.1296 0.5000 0.1296 ( 3360 PWs) bands (ev):
-55.1060 -55.1060 -55.0807 -55.0807 -55.0553 -55.0553 -26.6555 -26.6555
-26.5826 -26.5826 -26.5078 -26.5078 -17.3122 -17.3122 -17.0523 -17.0523
-17.0111 -17.0111 -16.8919 -16.8919 -16.7007 -16.7007 -16.6425 -16.6425
1.6545 1.6545 3.7233 3.7233 4.1717 4.1717 4.9829 4.9829
10.5426 10.5426 11.8554 11.8554 12.0365 12.0365 12.7897 12.7897
13.1386 13.1386 13.3354 13.3354 13.7956 13.7956 14.6838 14.6838
15.1345 15.1345 15.5260 15.5260 16.2778 16.2778 16.9903 16.9903
17.3835 17.3835 19.6322 19.6322 20.2751 20.2751 20.4327 20.4327
20.5487 20.5487 20.7919 20.7919 22.2093 22.2093 22.4101 22.4101
22.7427 22.7427
k = 0.1204 0.5000 0.1204 ( 3356 PWs) bands (ev):
-55.1067 -55.1067 -55.0807 -55.0807 -55.0547 -55.0547 -26.6571 -26.6571
-26.5824 -26.5824 -26.5059 -26.5059 -17.3096 -17.3096 -17.0542 -17.0542
-17.0060 -17.0060 -16.8878 -16.8878 -16.7092 -16.7092 -16.6422 -16.6422
1.6170 1.6170 3.6882 3.6882 4.1446 4.1446 4.9695 4.9695
10.5754 10.5754 11.9050 11.9050 12.1162 12.1162 12.8159 12.8159
13.1603 13.1603 13.3811 13.3811 13.8145 13.8145 14.7330 14.7330
15.2420 15.2420 15.6492 15.6492 16.2929 16.2929 16.9314 16.9314
17.3624 17.3624 19.5222 19.5222 20.2576 20.2576 20.4376 20.4376
20.5342 20.5342 20.7616 20.7616 22.0493 22.0493 22.4077 22.4077
22.7237 22.7237
k = 0.1111 0.5000 0.1111 ( 3364 PWs) bands (ev):
-55.1073 -55.1073 -55.0807 -55.0807 -55.0541 -55.0541 -26.6586 -26.6586
-26.5823 -26.5823 -26.5041 -26.5041 -17.3074 -17.3074 -17.0561 -17.0561
-17.0011 -17.0011 -16.8836 -16.8836 -16.7178 -16.7178 -16.6416 -16.6416
1.5820 1.5820 3.6554 3.6554 4.1193 4.1193 4.9570 4.9570
10.6063 10.6063 11.9481 11.9481 12.1949 12.1949 12.8414 12.8414
13.1804 13.1804 13.4230 13.4230 13.8320 13.8320 14.7767 14.7767
15.3497 15.3497 15.7702 15.7702 16.3097 16.3097 16.8798 16.8798
17.3387 17.3387 19.4141 19.4141 20.2428 20.2428 20.4451 20.4451
20.5224 20.5224 20.7357 20.7357 21.8858 21.8858 22.4073 22.4073
22.7136 22.7136
k = 0.1019 0.5000 0.1019 ( 3352 PWs) bands (ev):
-55.1078 -55.1078 -55.0807 -55.0807 -55.0536 -55.0536 -26.6600 -26.6600
-26.5821 -26.5821 -26.5023 -26.5023 -17.3055 -17.3055 -17.0578 -17.0578
-16.9964 -16.9964 -16.8792 -16.8792 -16.7263 -16.7263 -16.6407 -16.6407
1.5495 1.5495 3.6250 3.6250 4.0960 4.0960 4.9454 4.9454
10.6353 10.6353 11.9856 11.9856 12.2717 12.2717 12.8657 12.8657
13.1991 13.1991 13.4606 13.4606 13.8485 13.8485 14.8150 14.8150
15.4574 15.4574 15.8883 15.8883 16.3279 16.3279 16.8355 16.8355
17.3119 17.3119 19.3089 19.3089 20.2308 20.2308 20.4546 20.4546
20.5133 20.5133 20.7139 20.7139 21.7243 21.7243 22.4082 22.4082
22.7088 22.7088
k = 0.0926 0.5000 0.0926 ( 3352 PWs) bands (ev):
-55.1083 -55.1083 -55.0807 -55.0807 -55.0531 -55.0531 -26.6613 -26.6613
-26.5819 -26.5819 -26.5007 -26.5007 -17.3038 -17.3038 -17.0595 -17.0595
-16.9919 -16.9919 -16.8747 -16.8747 -16.7349 -16.7349 -16.6397 -16.6397
1.5195 1.5195 3.5971 3.5971 4.0746 4.0746 4.9348 4.9348
10.6622 10.6622 12.0182 12.0182 12.3457 12.3457 12.8880 12.8880
13.2164 13.2164 13.4939 13.4939 13.8641 13.8641 14.8477 14.8477
15.5649 15.5649 16.0024 16.0024 16.3468 16.3468 16.7981 16.7981
17.2819 17.2819 19.2075 19.2075 20.2217 20.2217 20.4650 20.4650
20.5071 20.5071 20.6961 20.6961 21.5673 21.5673 22.4099 22.4099
22.7076 22.7076
k = 0.0833 0.5000 0.0833 ( 3352 PWs) bands (ev):
-55.1088 -55.1088 -55.0807 -55.0807 -55.0526 -55.0526 -26.6624 -26.6624
-26.5818 -26.5818 -26.4993 -26.4993 -17.3024 -17.3024 -17.0609 -17.0609
-16.9878 -16.9878 -16.8700 -16.8700 -16.7435 -16.7435 -16.6385 -16.6385
1.4923 1.4923 3.5716 3.5716 4.0551 4.0551 4.9251 4.9251
10.6869 10.6869 12.0464 12.0464 12.4165 12.4165 12.9079 12.9079
13.2324 13.2324 13.5228 13.5228 13.8792 13.8792 14.8750 14.8750
15.6717 15.6717 16.1114 16.1114 16.3663 16.3663 16.7673 16.7673
17.2484 17.2484 19.1111 19.1111 20.2156 20.2156 20.4747 20.4747
20.5048 20.5048 20.6820 20.6820 21.4168 21.4168 22.4124 22.4124
22.7091 22.7091
k = 0.0741 0.5000 0.0741 ( 3362 PWs) bands (ev):
-55.1092 -55.1092 -55.0807 -55.0807 -55.0522 -55.0522 -26.6635 -26.6635
-26.5817 -26.5817 -26.4980 -26.4980 -17.3013 -17.3013 -17.0622 -17.0622
-16.9840 -16.9840 -16.8651 -16.8651 -16.7521 -16.7521 -16.6373 -16.6373
1.4677 1.4677 3.5487 3.5487 4.0376 4.0376 4.9165 4.9165
10.7093 10.7093 12.0707 12.0707 12.4835 12.4835 12.9245 12.9245
13.2471 13.2471 13.5472 13.5472 13.8936 13.8936 14.8973 14.8973
15.7773 15.7773 16.2138 16.2138 16.3863 16.3863 16.7426 16.7426
17.2109 17.2109 19.0208 19.0208 20.2127 20.2127 20.4801 20.4801
20.5088 20.5088 20.6714 20.6714 21.2742 21.2742 22.4158 22.4158
22.7126 22.7126
k = 0.0648 0.5000 0.0648 ( 3354 PWs) bands (ev):
-55.1096 -55.1096 -55.0807 -55.0807 -55.0519 -55.0519 -26.6645 -26.6645
-26.5815 -26.5815 -26.4969 -26.4969 -17.3003 -17.3003 -17.0633 -17.0633
-16.9806 -16.9806 -16.8599 -16.8599 -16.7606 -16.7606 -16.6361 -16.6361
1.4459 1.4459 3.5284 3.5284 4.0221 4.0221 4.9088 4.9088
10.7294 10.7294 12.0913 12.0913 12.5464 12.5464 12.9374 12.9374
13.2606 13.2606 13.5675 13.5675 13.9074 13.9074 14.9148 14.9148
15.8809 15.8809 16.3072 16.3072 16.4077 16.4077 16.7232 16.7232
17.1695 17.1695 18.9376 18.9376 20.2131 20.2131 20.4811 20.4811
20.5182 20.5182 20.6641 20.6641 21.1409 21.1409 22.4199 22.4199
22.7178 22.7178
k = 0.0556 0.5000 0.0556 ( 3366 PWs) bands (ev):
-55.1099 -55.1099 -55.0807 -55.0807 -55.0516 -55.0516 -26.6654 -26.6654
-26.5814 -26.5814 -26.4959 -26.4959 -17.2996 -17.2996 -17.0643 -17.0643
-16.9776 -16.9776 -16.8545 -16.8545 -16.7689 -16.7689 -16.6349 -16.6349
1.4269 1.4269 3.5107 3.5107 4.0086 4.0086 4.9021 4.9021
10.7470 10.7470 12.1086 12.1086 12.6047 12.6047 12.9460 12.9460
13.2727 13.2727 13.5839 13.5839 13.9203 13.9203 14.9283 14.9283
15.9815 15.9815 16.3836 16.3836 16.4369 16.4369 16.7085 16.7085
17.1239 17.1239 18.8627 18.8627 20.2168 20.2168 20.4802 20.4802
20.5292 20.5292 20.6597 20.6597 21.0183 21.0183 22.4246 22.4246
22.7243 22.7243
k = 0.0463 0.5000 0.0463 ( 3358 PWs) bands (ev):
-55.1101 -55.1101 -55.0807 -55.0807 -55.0513 -55.0513 -26.6660 -26.6660
-26.5813 -26.5813 -26.4950 -26.4950 -17.2990 -17.2990 -17.0651 -17.0651
-16.9750 -16.9750 -16.8489 -16.8489 -16.7772 -16.7772 -16.6338 -16.6338
1.4108 1.4108 3.4957 3.4957 3.9972 3.9972 4.8964 4.8964
10.7620 10.7620 12.1228 12.1228 12.6582 12.6582 12.9501 12.9501
13.2835 13.2835 13.5968 13.5968 13.9319 13.9319 14.9382 14.9382
16.0774 16.0774 16.4250 16.4250 16.4907 16.4907 16.6976 16.6976
17.0747 17.0747 18.7973 18.7973 20.2239 20.2239 20.4788 20.4788
20.5391 20.5391 20.6580 20.6580 20.9082 20.9082 22.4298 22.4298
22.7319 22.7319
k = 0.0370 0.5000 0.0370 ( 3370 PWs) bands (ev):
-55.1104 -55.1104 -55.0807 -55.0807 -55.0511 -55.0511 -26.6667 -26.6667
-26.5813 -26.5813 -26.4943 -26.4943 -17.2986 -17.2986 -17.0657 -17.0657
-16.9729 -16.9729 -16.8429 -16.8429 -16.7853 -16.7853 -16.6329 -16.6329
1.3975 1.3975 3.4833 3.4833 3.9879 3.9879 4.8918 4.8918
10.7744 10.7744 12.1342 12.1342 12.7063 12.7063 12.9497 12.9497
13.2928 13.2928 13.6067 13.6067 13.9420 13.9420 14.9453 14.9453
16.1660 16.1660 16.4489 16.4489 16.5507 16.5507 16.6898 16.6898
17.0227 17.0227 18.7423 18.7423 20.2343 20.2343 20.4770 20.4770
20.5467 20.5467 20.6584 20.6584 20.8126 20.8126 22.4352 22.4352
22.7400 22.7400
k = 0.0278 0.5000 0.0278 ( 3374 PWs) bands (ev):
-55.1106 -55.1106 -55.0808 -55.0808 -55.0509 -55.0509 -26.6672 -26.6672
-26.5812 -26.5812 -26.4937 -26.4937 -17.2983 -17.2983 -17.0662 -17.0662
-16.9713 -16.9713 -16.8367 -16.8367 -16.7932 -16.7932 -16.6321 -16.6321
1.3872 1.3872 3.4737 3.4737 3.9806 3.9806 4.8881 4.8881
10.7841 10.7841 12.1428 12.1428 12.7483 12.7483 12.9450 12.9450
13.3003 13.3003 13.6140 13.6140 13.9502 13.9502 14.9501 14.9501
16.2428 16.2428 16.4723 16.4723 16.5997 16.5997 16.6846 16.6846
16.9701 16.9701 18.6986 18.6986 20.2473 20.2473 20.4745 20.4745
20.5508 20.5508 20.6602 20.6602 20.7345 20.7345 22.4402 22.4402
22.7483 22.7483
k = 0.0185 0.5000 0.0185 ( 3370 PWs) bands (ev):
-55.1107 -55.1107 -55.0807 -55.0807 -55.0508 -55.0508 -26.6675 -26.6675
-26.5812 -26.5812 -26.4933 -26.4933 -17.2981 -17.2981 -17.0666 -17.0666
-16.9701 -16.9701 -16.8303 -16.8303 -16.8008 -16.8008 -16.6315 -16.6315
1.3798 1.3798 3.4668 3.4668 3.9753 3.9753 4.8856 4.8856
10.7910 10.7910 12.1489 12.1489 12.7829 12.7829 12.9372 12.9372
13.3059 13.3059 13.6189 13.6189 13.9563 13.9563 14.9531 14.9531
16.3011 16.3011 16.4999 16.4999 16.6315 16.6315 16.6828 16.6828
16.9215 16.9215 18.6668 18.6668 20.2614 20.2614 20.4709 20.4709
20.5506 20.5506 20.6621 20.6621 20.6779 20.6779 22.4443 22.4443
22.7556 22.7556
k = 0.0093 0.5000 0.0093 ( 3370 PWs) bands (ev):
-55.1108 -55.1108 -55.0807 -55.0807 -55.0507 -55.0507 -26.6677 -26.6677
-26.5812 -26.5812 -26.4930 -26.4930 -17.2980 -17.2980 -17.0668 -17.0668
-16.9693 -16.9693 -16.8238 -16.8238 -16.8081 -16.8081 -16.6312 -16.6312
1.3753 1.3753 3.4627 3.4627 3.9722 3.9722 4.8840 4.8840
10.7952 10.7952 12.1526 12.1526 12.8073 12.8073 12.9290 12.9290
13.3094 13.3094 13.6217 13.6217 13.9601 13.9601 14.9548 14.9548
16.3357 16.3357 16.5294 16.5294 16.6417 16.6417 16.6863 16.6863
16.8850 16.8850 18.6476 18.6476 20.2733 20.2733 20.4666 20.4666
20.5472 20.5472 20.6445 20.6445 20.6647 20.6647 22.4470 22.4470
22.7609 22.7609
k = 0.0000 0.5000-0.0000 ( 3362 PWs) bands (ev):
-55.1108 -55.1108 -55.0807 -55.0807 -55.0507 -55.0507 -26.6678 -26.6678
-26.5811 -26.5811 -26.4929 -26.4929 -17.2979 -17.2979 -17.0668 -17.0668
-16.9691 -16.9691 -16.8193 -16.8193 -16.8128 -16.8128 -16.6310 -16.6310
1.3739 1.3739 3.4613 3.4613 3.9712 3.9712 4.8835 4.8835
10.7966 10.7966 12.1538 12.1538 12.8165 12.8165 12.9251 12.9251
13.3105 13.3105 13.6227 13.6227 13.9613 13.9613 14.9553 14.9553
16.3467 16.3467 16.5442 16.5442 16.6408 16.6408 16.6892 16.6892
16.8710 16.8710 18.6411 18.6411 20.2782 20.2782 20.4644 20.4644
20.5449 20.5449 20.6347 20.6347 20.6653 20.6653 22.4480 22.4480
22.7628 22.7628
k = 0.5000 0.5000-0.0000 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5951 -26.5951
-26.5820 -26.5820 -26.5773 -26.5773 -17.3128 -17.3128 -17.1010 -17.1010
-17.0421 -17.0421 -16.8495 -16.8495 -16.7553 -16.7553 -16.5846 -16.5846
2.4375 2.4375 4.3033 4.3033 4.5753 4.5753 5.5402 5.5402
9.8727 9.8727 9.9083 9.9083 12.2700 12.2700 12.2925 12.2925
12.4429 12.4429 12.4533 12.4533 12.7696 12.7696 13.7076 13.7076
14.1355 14.1355 14.6170 14.6170 14.7075 14.7075 18.8258 18.8258
19.8626 19.8626 20.6378 20.6378 20.8257 20.8257 20.9257 20.9257
21.0554 21.0554 21.7718 21.7718 21.9089 21.9089 22.8045 22.8045
23.0497 23.0497
k = 0.5000 0.5000 0.0128 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5951 -26.5951
-26.5820 -26.5820 -26.5773 -26.5773 -17.3133 -17.3133 -17.1012 -17.1012
-17.0418 -17.0418 -16.8506 -16.8506 -16.7538 -16.7538 -16.5845 -16.5845
2.4389 2.4389 4.3048 4.3048 4.5767 4.5767 5.5404 5.5404
9.8717 9.8717 9.9073 9.9073 12.2308 12.2308 12.3128 12.3128
12.4427 12.4427 12.4672 12.4672 12.7686 12.7686 13.6791 13.6791
14.1654 14.1654 14.6136 14.6136 14.7040 14.7040 18.8213 18.8213
19.8653 19.8653 20.6378 20.6378 20.8208 20.8208 20.9288 20.9288
21.0503 21.0503 21.7746 21.7746 21.9109 21.9109 22.8047 22.8047
23.0618 23.0618
k = 0.5000 0.5000 0.0256 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5953 -26.5953
-26.5820 -26.5820 -26.5774 -26.5774 -17.3146 -17.3146 -17.1020 -17.1020
-17.0409 -17.0409 -16.8539 -16.8539 -16.7497 -16.7497 -16.5839 -16.5839
2.4431 2.4431 4.3093 4.3093 4.5811 4.5811 5.5409 5.5409
9.8686 9.8686 9.9043 9.9043 12.1690 12.1690 12.3259 12.3259
12.4422 12.4422 12.5011 12.5011 12.7655 12.7655 13.6097 13.6097
14.2394 14.2394 14.6036 14.6036 14.6935 14.6935 18.8080 18.8080
19.8733 19.8733 20.6371 20.6371 20.8069 20.8069 20.9386 20.9386
21.0354 21.0354 21.7826 21.7826 21.9167 21.9167 22.8052 22.8052
23.0951 23.0951
k = 0.5000 0.5000 0.0385 ( 3360 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5955 -26.5955
-26.5819 -26.5819 -26.5774 -26.5774 -17.3168 -17.3168 -17.1034 -17.1034
-17.0395 -17.0395 -16.8587 -16.8587 -16.7435 -16.7435 -16.5831 -16.5831
2.4500 2.4500 4.3168 4.3168 4.5882 4.5882 5.5418 5.5418
9.8635 9.8635 9.8993 9.8993 12.0978 12.0978 12.3310 12.3310
12.4414 12.4414 12.5424 12.5424 12.7604 12.7604 13.5213 13.5213
14.3351 14.3351 14.5870 14.5870 14.6759 14.6759 18.7863 18.7863
19.8866 19.8866 20.6344 20.6344 20.7857 20.7857 20.9564 20.9564
21.0126 21.0126 21.7947 21.7947 21.9256 21.9256 22.8060 22.8060
23.0970 23.0970
k = 0.5000 0.5000 0.0513 ( 3352 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5957 -26.5957
-26.5818 -26.5818 -26.5774 -26.5774 -17.3198 -17.3198 -17.1053 -17.1053
-17.0375 -17.0375 -16.8646 -16.8646 -16.7357 -16.7357 -16.5819 -16.5819
2.4596 2.4596 4.3273 4.3273 4.5983 4.5983 5.5430 5.5430
9.8563 9.8563 9.8924 9.8924 12.0200 12.0200 12.3327 12.3327
12.4403 12.4403 12.5841 12.5841 12.7534 12.7534 13.4253 13.4253
14.4414 14.4414 14.5637 14.5637 14.6513 14.6513 18.7572 18.7572
19.9052 19.9052 20.6287 20.6287 20.7593 20.7593 20.9837 20.9837
20.9842 20.9842 21.8096 21.8096 21.9368 21.9368 22.8073 22.8073
23.0997 23.0997
k = 0.5000 0.5000 0.0641 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5960 -26.5960
-26.5817 -26.5817 -26.5775 -26.5775 -17.3236 -17.3236 -17.1077 -17.1077
-17.0351 -17.0351 -16.8710 -16.8710 -16.7267 -16.7267 -16.5803 -16.5803
2.4720 2.4720 4.3407 4.3407 4.6111 4.6111 5.5445 5.5445
9.8472 9.8472 9.8835 9.8835 11.9370 11.9370 12.3326 12.3326
12.4388 12.4388 12.6231 12.6231 12.7444 12.7444 13.3265 13.3265
14.5338 14.5338 14.5530 14.5530 14.6203 14.6203 18.7215 18.7215
19.9289 19.9289 20.6199 20.6199 20.7297 20.7297 20.9526 20.9526
21.0215 21.0215 21.8259 21.8259 21.9495 21.9495 22.8091 22.8091
23.1032 23.1032
k = 0.5000 0.5000 0.0769 ( 3348 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5964 -26.5964
-26.5816 -26.5816 -26.5775 -26.5775 -17.3281 -17.3281 -17.1106 -17.1106
-17.0323 -17.0323 -16.8776 -16.8776 -16.7170 -16.7170 -16.5784 -16.5784
2.4870 2.4870 4.3570 4.3570 4.6267 4.6267 5.5464 5.5464
9.8362 9.8362 9.8728 9.8728 11.8497 11.8497 12.3316 12.3316
12.4371 12.4371 12.6581 12.6581 12.7335 12.7335 13.2272 13.2272
14.4974 14.4974 14.5805 14.5805 14.6699 14.6699 18.6802 18.6802
19.9575 19.9575 20.6092 20.6092 20.6991 20.6991 20.9202 20.9202
21.0693 21.0693 21.8427 21.8427 21.9630 21.9630 22.8114 22.8114
23.1076 23.1076
k = 0.5000 0.5000 0.0897 ( 3356 PWs) bands (ev):
-55.0807 -55.0807 -55.0806 -55.0806 -55.0806 -55.0806 -26.5969 -26.5969
-26.5815 -26.5815 -26.5776 -26.5776 -17.3332 -17.3332 -17.1140 -17.1140
-17.0292 -17.0292 -16.8843 -16.8843 -16.7067 -16.7067 -16.5763 -16.5763
2.5046 2.5046 4.3762 4.3762 4.6450 4.6450 5.5486 5.5486
9.8232 9.8232 9.8602 9.8602 11.7585 11.7585 12.3301 12.3301
12.4351 12.4351 12.6885 12.6885 12.7207 12.7207 13.1287 13.1287
14.4545 14.4545 14.5358 14.5358 14.7873 14.7873 18.6344 18.6344
19.9909 19.9909 20.5983 20.5983 20.6692 20.6692 20.8891 20.8891
21.1261 21.1261 21.8592 21.8592 21.9768 21.9768 22.8143 22.8143
23.1127 23.1127
k = 0.5000 0.5000 0.1026 ( 3340 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.5974 -26.5974
-26.5813 -26.5813 -26.5776 -26.5776 -17.3388 -17.3388 -17.1180 -17.1180
-17.0257 -17.0257 -16.8908 -16.8908 -16.6960 -16.6960 -16.5737 -16.5737
2.5248 2.5248 4.3981 4.3981 4.6660 4.6660 5.5512 5.5512
9.8085 9.8085 9.8458 9.8458 11.6640 11.6640 12.3280 12.3280
12.4329 12.4329 12.7059 12.7059 12.7141 12.7141 13.0317 13.0317
14.4054 14.4054 14.4842 14.4842 14.9063 14.9063 18.5849 18.5849
20.0289 20.0289 20.5892 20.5892 20.6417 20.6417 20.8611 20.8611
21.1905 21.1905 21.8751 21.8751 21.9904 21.9904 22.8179 22.8179
23.1185 23.1185
k = 0.5000 0.5000 0.1154 ( 3340 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.5979 -26.5979
-26.5812 -26.5812 -26.5777 -26.5777 -17.3449 -17.3449 -17.1224 -17.1224
-17.0221 -17.0221 -16.8971 -16.8971 -16.6852 -16.6852 -16.5710 -16.5710
2.5475 2.5475 4.4228 4.4228 4.6895 4.6895 5.5541 5.5541
9.7921 9.7921 9.8297 9.8297 11.5664 11.5664 12.3257 12.3257
12.4303 12.4303 12.6891 12.6891 12.7347 12.7347 12.9371 12.9371
14.3501 14.3501 14.4263 14.4263 15.0263 15.0263 18.5328 18.5328
20.0713 20.0713 20.5834 20.5834 20.6182 20.6182 20.8374 20.8374
21.2611 21.2611 21.8901 21.8901 22.0039 22.0039 22.8223 22.8223
23.1251 23.1251
k = 0.5000 0.5000 0.1282 ( 3340 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.5985 -26.5985
-26.5811 -26.5811 -26.5778 -26.5778 -17.3513 -17.3513 -17.1272 -17.1272
-17.0184 -17.0184 -16.9030 -16.9030 -16.6741 -16.6741 -16.5679 -16.5679
2.5726 2.5726 4.4501 4.4501 4.7156 4.7156 5.5574 5.5574
9.7739 9.7739 9.8120 9.8120 11.4661 11.4661 12.3231 12.3231
12.4275 12.4275 12.6694 12.6694 12.7504 12.7504 12.8460 12.8460
14.2891 14.2891 14.3623 14.3623 15.1469 15.1469 18.4786 18.4786
20.1177 20.1177 20.5819 20.5819 20.5999 20.5999 20.8191 20.8191
21.3366 21.3366 21.9042 21.9042 22.0171 22.0171 22.8277 22.8277
23.1323 23.1323
k = 0.5000 0.5000 0.1410 ( 3332 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.5991 -26.5991
-26.5809 -26.5809 -26.5779 -26.5779 -17.3580 -17.3580 -17.1325 -17.1325
-17.0145 -17.0145 -16.9085 -16.9085 -16.6631 -16.6631 -16.5646 -16.5646
2.6000 2.6000 4.4800 4.4800 4.7440 4.7440 5.5610 5.5610
9.7542 9.7542 9.7927 9.7927 11.3635 11.3635 12.3203 12.3203
12.4243 12.4243 12.6446 12.6446 12.7613 12.7613 12.7614 12.7614
14.2225 14.2225 14.2927 14.2927 15.2675 15.2675 18.4231 18.4231
20.1681 20.1681 20.5821 20.5821 20.5915 20.5915 20.8069 20.8069
21.4159 21.4159 21.9175 21.9175 22.0302 22.0302 22.8342 22.8342
23.1401 23.1401
k = 0.5000 0.5000 0.1538 ( 3344 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.5998 -26.5998
-26.5808 -26.5808 -26.5780 -26.5780 -17.3650 -17.3650 -17.1381 -17.1381
-17.0107 -17.0107 -16.9137 -16.9137 -16.6520 -16.6520 -16.5611 -16.5611
2.6297 2.6297 4.5124 4.5124 4.7746 4.7746 5.5649 5.5649
9.7331 9.7331 9.7718 9.7718 11.2588 11.2588 12.3173 12.3173
12.4205 12.4205 12.6065 12.6065 12.6916 12.6916 12.7678 12.7678
14.1508 14.1508 14.2179 14.2179 15.3880 15.3880 18.3669 18.3669
20.2219 20.2219 20.5778 20.5778 20.6004 20.6004 20.8015 20.8015
21.4978 21.4978 21.9301 21.9301 22.0436 22.0436 22.8418 22.8418
23.1485 23.1485
k = 0.5000 0.5000 0.1667 ( 3344 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.6005 -26.6005
-26.5807 -26.5807 -26.5781 -26.5781 -17.3722 -17.3722 -17.1441 -17.1441
-17.0069 -17.0069 -16.9184 -16.9184 -16.6411 -16.6411 -16.5574 -16.5574
2.6615 2.6615 4.5470 4.5470 4.8074 4.8074 5.5693 5.5693
9.7105 9.7105 9.7496 9.7496 11.1525 11.1525 12.3142 12.3142
12.4153 12.4153 12.5458 12.5458 12.6473 12.6473 12.7699 12.7699
14.0745 14.0745 14.1383 14.1383 15.5080 15.5080 18.3105 18.3105
20.2790 20.2790 20.5782 20.5782 20.6183 20.6183 20.8031 20.8031
21.5810 21.5810 21.9420 21.9420 22.0577 22.0577 22.8508 22.8508
23.1574 23.1574
k = 0.5000 0.5000 0.1795 ( 3344 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.6012 -26.6012
-26.5806 -26.5806 -26.5782 -26.5782 -17.3794 -17.3794 -17.1503 -17.1503
-17.0031 -17.0031 -16.9227 -16.9227 -16.6302 -16.6302 -16.5535 -16.5535
2.6954 2.6954 4.5839 4.5839 4.8421 4.8421 5.5740 5.5740
9.6867 9.6867 9.7261 9.7261 11.0449 11.0449 12.3110 12.3110
12.4044 12.4044 12.4774 12.4774 12.6182 12.6182 12.7680 12.7680
13.9939 13.9939 14.0544 14.0544 15.6272 15.6272 18.2542 18.2542
20.3391 20.3391 20.5854 20.5854 20.6436 20.6436 20.8117 20.8117
21.6643 21.6643 21.9536 21.9536 22.0733 22.0733 22.8611 22.8611
23.1667 23.1667
k = 0.5000 0.5000 0.1923 ( 3336 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.6018 -26.6018
-26.5805 -26.5805 -26.5783 -26.5783 -17.3867 -17.3867 -17.1567 -17.1567
-16.9994 -16.9994 -16.9267 -16.9267 -16.6195 -16.6195 -16.5494 -16.5494
2.7311 2.7311 4.6229 4.6229 4.8787 4.8787 5.5791 5.5791
9.6617 9.6617 9.7013 9.7013 10.9362 10.9362 12.3078 12.3078
12.3661 12.3661 12.4338 12.4338 12.5936 12.5936 12.7625 12.7625
13.9098 13.9098 13.9669 13.9669 15.7453 15.7453 18.1985 18.1985
20.4017 20.4017 20.5994 20.5994 20.6762 20.6762 20.8273 20.8273
21.7457 21.7457 21.9648 21.9648 22.0917 22.0917 22.8730 22.8730
23.1763 23.1763
k = 0.5000 0.5000 0.2051 ( 3344 PWs) bands (ev):
-55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -55.0806 -26.6025 -26.6025
-26.5805 -26.5805 -26.5785 -26.5785 -17.3940 -17.3940 -17.1633 -17.1633
-16.9958 -16.9958 -16.9302 -16.9302 -16.6090 -16.6090 -16.5453 -16.5453
2.7685 2.7685 4.6638 4.6638 4.9169 4.9169 5.5847 5.5847
9.6356 9.6356 9.6753 9.6753 10.8269 10.8269 12.2977 12.2977
12.3045 12.3045 12.4211 12.4211 12.5705 12.5705 12.7536 12.7536
13.8226 13.8226 13.8763 13.8763 15.8620 15.8620 18.1437 18.1437
20.4666 20.4666 20.6204 20.6204 20.7159 20.7159 20.8496 20.8496
21.8225 21.8225 21.9759 21.9759 22.1151 22.1151 22.8865 22.8865
23.1864 23.1864
k = 0.5000 0.5000 0.2179 ( 3344 PWs) bands (ev):
-55.0806 -55.0806 -55.0805 -55.0805 -55.0805 -55.0805 -26.6033 -26.6033
-26.5804 -26.5804 -26.5786 -26.5786 -17.4013 -17.4013 -17.1701 -17.1701
-16.9923 -16.9923 -16.9334 -16.9334 -16.5988 -16.5988 -16.5410 -16.5410
2.8074 2.8074 4.7064 4.7064 4.9564 4.9564 5.5907 5.5907
9.6085 9.6085 9.6484 9.6484 10.7174 10.7174 12.2245 12.2245
12.3013 12.3013 12.4153 12.4153 12.5480 12.5480 12.7418 12.7418
13.7331 13.7331 13.7834 13.7834 15.9771 15.9771 18.0899 18.0899
20.5334 20.5334 20.6479 20.6479 20.7625 20.7625 20.8782 20.8782
21.8909 21.8909 21.9870 21.9870 22.1472 22.1472 22.9017 22.9017
23.1967 23.1967
k = 0.5000 0.5000 0.2308 ( 3336 PWs) bands (ev):
-55.0806 -55.0806 -55.0805 -55.0805 -55.0805 -55.0805 -26.6039 -26.6039
-26.5804 -26.5804 -26.5787 -26.5787 -17.4085 -17.4085 -17.1768 -17.1768
-16.9890 -16.9890 -16.9363 -16.9363 -16.5888 -16.5888 -16.5366 -16.5366
2.8478 2.8478 4.7506 4.7506 4.9970 4.9970 5.5972 5.5972
9.5806 9.5806 9.6205 9.6205 10.6079 10.6079 12.1521 12.1521
12.2980 12.2980 12.4110 12.4110 12.5259 12.5259 12.7276 12.7276
13.6419 13.6419 13.6888 13.6888 16.0901 16.0901 18.0375 18.0375
20.6018 20.6018 20.6818 20.6818 20.8157 20.8157 20.9127 20.9127
21.9465 21.9465 21.9982 21.9982 22.1917 22.1917 22.9187 22.9187
23.2074 23.2074
k = 0.5000 0.5000 0.2436 ( 3336 PWs) bands (ev):
-55.0806 -55.0806 -55.0805 -55.0805 -55.0805 -55.0805 -26.6046 -26.6046
-26.5803 -26.5803 -26.5788 -26.5788 -17.4156 -17.4156 -17.1836 -17.1836
-16.9858 -16.9858 -16.9389 -16.9389 -16.5791 -16.5791 -16.5322 -16.5322
2.8893 2.8893 4.7962 4.7962 5.0385 5.0385 5.6044 5.6044
9.5520 9.5520 9.5918 9.5918 10.4990 10.4990 12.0819 12.0819
12.2947 12.2947 12.4071 12.4071 12.5041 12.5041 12.7112 12.7112
13.5496 13.5496 13.5931 13.5931 16.2008 16.2008 17.9867 17.9867
20.6714 20.6714 20.7216 20.7216 20.8750 20.8750 20.9524 20.9524
21.9877 21.9877 22.0098 22.0098 22.2501 22.2501 22.9375 22.9375
23.2184 23.2184
k = 0.5000 0.5000 0.2564 ( 3324 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6053 -26.6053
-26.5803 -26.5803 -26.5789 -26.5789 -17.4225 -17.4225 -17.1903 -17.1903
-16.9828 -16.9828 -16.9412 -16.9412 -16.5697 -16.5697 -16.5278 -16.5278
2.9318 2.9318 4.8428 4.8428 5.0805 5.0805 5.6122 5.6122
9.5228 9.5228 9.5624 9.5624 10.3909 10.3909 12.0143 12.0143
12.2914 12.2914 12.4033 12.4033 12.4829 12.4829 12.6930 12.6930
13.4570 13.4570 13.4970 13.4970 16.3089 16.3089 17.9376 17.9376
20.7419 20.7419 20.7668 20.7668 20.9399 20.9399 20.9966 20.9966
22.0170 22.0170 22.0219 22.0219 22.3194 22.3194 22.9582 22.9582
23.2296 23.2296
k = 0.5000 0.5000 0.2692 ( 3324 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6060 -26.6060
-26.5802 -26.5802 -26.5791 -26.5791 -17.4292 -17.4292 -17.1969 -17.1969
-16.9799 -16.9799 -16.9433 -16.9433 -16.5606 -16.5606 -16.5234 -16.5234
2.9750 2.9750 4.8904 4.8904 5.1226 5.1226 5.6208 5.6208
9.4931 9.4931 9.5324 9.5324 10.2842 10.2842 11.9496 11.9496
12.2881 12.2881 12.3991 12.3991 12.4625 12.4625 12.6735 12.6735
13.3648 13.3648 13.4013 13.4013 16.4140 16.4140 17.8903 17.8903
20.8130 20.8130 20.8167 20.8167 21.0098 21.0098 21.0445 21.0445
22.0347 22.0347 22.0387 22.0387 22.3951 22.3951 22.9807 22.9807
23.2412 23.2412
k = 0.5000 0.5000 0.2821 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6067 -26.6067
-26.5802 -26.5802 -26.5792 -26.5792 -17.4357 -17.4357 -17.2034 -17.2034
-16.9773 -16.9773 -16.9451 -16.9451 -16.5520 -16.5520 -16.5191 -16.5191
3.0187 3.0187 4.9385 4.9385 5.1643 5.1643 5.6304 5.6304
9.4631 9.4631 9.5020 9.5020 10.1793 10.1793 11.8878 11.8878
12.2848 12.2848 12.3941 12.3941 12.4435 12.4435 12.6530 12.6530
13.2735 13.2735 13.3066 13.3066 16.5157 16.5157 17.8450 17.8450
20.8709 20.8709 20.8843 20.8843 21.0840 21.0840 21.0952 21.0952
22.0482 22.0482 22.0560 22.0560 22.4735 22.4735 23.0048 23.0048
23.2532 23.2532
k = 0.5000 0.5000 0.2949 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6073 -26.6073
-26.5802 -26.5802 -26.5793 -26.5793 -17.4420 -17.4420 -17.2097 -17.2097
-16.9748 -16.9748 -16.9468 -16.9468 -16.5437 -16.5437 -16.5148 -16.5148
3.0627 3.0627 4.9870 4.9870 5.2053 5.2053 5.6411 5.6411
9.4329 9.4329 9.4713 9.4713 10.0766 10.0766 11.8292 11.8292
12.2815 12.2815 12.3873 12.3873 12.4268 12.4268 12.6319 12.6319
13.1840 13.1840 13.2137 13.2137 16.6139 16.6139 17.8019 17.8019
20.9284 20.9284 20.9554 20.9554 21.1479 21.1479 21.1619 21.1619
22.0629 22.0629 22.0709 22.0709 22.5526 22.5526 23.0306 23.0306
23.2656 23.2656
k = 0.5000 0.5000 0.3077 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6079 -26.6079
-26.5802 -26.5802 -26.5795 -26.5795 -17.4480 -17.4480 -17.2158 -17.2158
-16.9725 -16.9725 -16.9482 -16.9482 -16.5358 -16.5358 -16.5107 -16.5107
3.1065 3.1065 5.0355 5.0355 5.2449 5.2449 5.6531 5.6531
9.4027 9.4027 9.4405 9.4405 9.9766 9.9766 11.7738 11.7738
12.2781 12.2781 12.3773 12.3773 12.4141 12.4141 12.6104 12.6104
13.0970 13.0970 13.1232 13.1232 16.7081 16.7081 17.7609 17.7609
20.9887 20.9887 21.0258 21.0258 21.2017 21.2017 21.2426 21.2426
22.0787 22.0787 22.0847 22.0847 22.6308 22.6308 23.0576 23.0576
23.2787 23.2787
k = 0.5000 0.5000 0.3205 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6085 -26.6085
-26.5802 -26.5802 -26.5796 -26.5796 -17.4537 -17.4537 -17.2216 -17.2216
-16.9703 -16.9703 -16.9496 -16.9496 -16.5284 -16.5284 -16.5067 -16.5067
3.1500 3.1500 5.0837 5.0837 5.2827 5.2827 5.6666 5.6666
9.3726 9.3726 9.4097 9.4097 9.8798 9.8798 11.7217 11.7217
12.2746 12.2746 12.3637 12.3637 12.4054 12.4054 12.5888 12.5888
13.0130 13.0130 13.0357 13.0357 16.7980 16.7980 17.7222 17.7222
21.0509 21.0509 21.0951 21.0951 21.2555 21.2555 21.3252 21.3252
22.0961 22.0961 22.0982 22.0982 22.7071 22.7071 23.0855 23.0855
23.2925 23.2925
k = 0.5000 0.5000 0.3333 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6091 -26.6091
-26.5803 -26.5803 -26.5797 -26.5797 -17.4591 -17.4591 -17.2271 -17.2271
-16.9684 -16.9684 -16.9507 -16.9507 -16.5214 -16.5214 -16.5028 -16.5028
3.1927 3.1927 5.1311 5.1311 5.3180 5.3180 5.6818 5.6818
9.3429 9.3429 9.3793 9.3793 9.7867 9.7867 11.6729 11.6729
12.2709 12.2709 12.3480 12.3480 12.3996 12.3996 12.5675 12.5675
12.9327 12.9327 12.9520 12.9520 16.8832 16.8832 17.6860 17.6860
21.1141 21.1141 21.1627 21.1627 21.3085 21.3085 21.4087 21.4087
22.1119 22.1119 22.1150 22.1150 22.7808 22.7808 23.1138 23.1138
23.3075 23.3075
k = 0.5000 0.5000 0.3462 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6096 -26.6096
-26.5803 -26.5803 -26.5798 -26.5798 -17.4641 -17.4641 -17.2324 -17.2324
-16.9666 -16.9666 -16.9517 -16.9517 -16.5148 -16.5148 -16.4991 -16.4991
3.2344 3.2344 5.1776 5.1776 5.3504 5.3504 5.6989 5.6989
9.3138 9.3138 9.3492 9.3492 9.6977 9.6977 11.6275 11.6275
12.2670 12.2670 12.3317 12.3317 12.3951 12.3951 12.5466 12.5466
12.8568 12.8568 12.8727 12.8727 16.9636 16.9636 17.6521 17.6521
21.1774 21.1774 21.2281 21.2281 21.3598 21.3598 21.4920 21.4920
22.1266 22.1266 22.1356 22.1356 22.8512 22.8512 23.1419 23.1419
23.3240 23.3240
k = 0.5000 0.5000 0.3590 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6101 -26.6101
-26.5803 -26.5803 -26.5799 -26.5799 -17.4688 -17.4688 -17.2373 -17.2373
-16.9649 -16.9649 -16.9526 -16.9526 -16.5087 -16.5087 -16.4957 -16.4957
3.2746 3.2746 5.2225 5.2225 5.3794 5.3794 5.7177 5.7177
9.2855 9.2855 9.3199 9.3199 9.6135 9.6135 11.5855 11.5855
12.2628 12.2628 12.3155 12.3155 12.3911 12.3911 12.5264 12.5264
12.7860 12.7860 12.7985 12.7985 17.0387 17.0387 17.6208 17.6208
21.2400 21.2400 21.2907 21.2907 21.4086 21.4086 21.5738 21.5738
22.1425 22.1425 22.1580 22.1580 22.9180 22.9180 23.1689 23.1689
23.3424 23.3424
k = 0.5000 0.5000 0.3718 ( 3332 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6106 -26.6106
-26.5803 -26.5803 -26.5800 -26.5800 -17.4732 -17.4732 -17.2419 -17.2419
-16.9635 -16.9635 -16.9534 -16.9534 -16.5032 -16.5032 -16.4924 -16.4924
3.3131 3.3131 5.2656 5.2656 5.4048 5.4048 5.7382 5.7382
9.2582 9.2582 9.2916 9.2916 9.5345 9.5345 11.5471 11.5471
12.2581 12.2581 12.2997 12.2997 12.3871 12.3871 12.5069 12.5069
12.7209 12.7209 12.7301 12.7301 17.1083 17.1083 17.5921 17.5921
21.3007 21.3007 21.3497 21.3497 21.4544 21.4544 21.6529 21.6529
22.1603 22.1603 22.1821 22.1821 22.9805 22.9805 23.1940 23.1940
23.3630 23.3630
k = 0.5000 0.5000 0.3846 ( 3340 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6111 -26.6111
-26.5804 -26.5804 -26.5801 -26.5801 -17.4772 -17.4772 -17.2460 -17.2460
-16.9622 -16.9622 -16.9541 -16.9541 -16.4981 -16.4981 -16.4894 -16.4894
3.3494 3.3494 5.3063 5.3063 5.4266 5.4266 5.7598 5.7598
9.2322 9.2322 9.2644 9.2644 9.4613 9.4613 11.5121 11.5121
12.2529 12.2529 12.2845 12.2845 12.3829 12.3829 12.4883 12.4883
12.6621 12.6621 12.6681 12.6681 17.1720 17.1720 17.5659 17.5659
21.3586 21.3586 21.4044 21.4044 21.4967 21.4967 21.7275 21.7275
22.1803 22.1803 22.2075 22.2075 23.0385 23.0385 23.2165 23.2165
23.3859 23.3859
k = 0.5000 0.5000 0.3974 ( 3340 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6115 -26.6115
-26.5804 -26.5804 -26.5802 -26.5802 -17.4808 -17.4808 -17.2498 -17.2498
-16.9610 -16.9610 -16.9547 -16.9547 -16.4935 -16.4935 -16.4867 -16.4867
3.3832 3.3832 5.3443 5.3443 5.4449 5.4449 5.7819 5.7819
9.2079 9.2079 9.2386 9.2386 9.3945 9.3945 11.4808 11.4808
12.2469 12.2469 12.2699 12.2699 12.3780 12.3780 12.4707 12.4707
12.6103 12.6103 12.6133 12.6133 17.2298 17.2298 17.5424 17.5424
21.4127 21.4127 21.4542 21.4542 21.5352 21.5352 21.7963 21.7963
22.2031 22.2031 22.2339 22.2339 23.0916 23.0916 23.2360 23.2360
23.4109 23.4109
k = 0.5000 0.5000 0.4103 ( 3348 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6118 -26.6118
-26.5804 -26.5804 -26.5803 -26.5803 -17.4840 -17.4840 -17.2532 -17.2532
-16.9600 -16.9600 -16.9552 -16.9552 -16.4894 -16.4894 -16.4842 -16.4842
3.4141 3.4141 5.3792 5.3792 5.4600 5.4600 5.8038 5.8038
9.1854 9.1854 9.2144 9.2144 9.3347 9.3347 11.4530 11.4530
12.2402 12.2402 12.2562 12.2562 12.3722 12.3722 12.4540 12.4540
12.5660 12.5660 12.5664 12.5664 17.2813 17.2813 17.5216 17.5216
21.4622 21.4622 21.4983 21.4983 21.5699 21.5699 21.8576 21.8576
22.2287 22.2287 22.2605 22.2605 23.1393 23.1393 23.2526 23.2526
23.4371 23.4371
k = 0.5000 0.5000 0.4231 ( 3360 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6122 -26.6122
-26.5805 -26.5805 -26.5804 -26.5804 -17.4868 -17.4868 -17.2562 -17.2562
-16.9592 -16.9592 -16.9556 -16.9556 -16.4859 -16.4859 -16.4821 -16.4821
3.4417 3.4417 5.4104 5.4104 5.4723 5.4723 5.8248 5.8248
9.1652 9.1652 9.1919 9.1919 9.2825 9.2825 11.4289 11.4289
12.2327 12.2327 12.2431 12.2431 12.3651 12.3651 12.4383 12.4383
12.5280 12.5280 12.5296 12.5296 17.3264 17.3264 17.5035 17.5035
21.5061 21.5061 21.5360 21.5360 21.6010 21.6010 21.9106 21.9106
22.2566 22.2566 22.2865 22.2865 23.1815 23.1815 23.2663 23.2663
23.4634 23.4634
k = 0.5000 0.5000 0.4359 ( 3360 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6124 -26.6124
-26.5805 -26.5805 -26.5804 -26.5804 -17.4892 -17.4892 -17.2587 -17.2587
-16.9584 -16.9584 -16.9560 -16.9560 -16.4829 -16.4829 -16.4803 -16.4803
3.4657 3.4657 5.4376 5.4376 5.4821 5.4821 5.8440 5.8440
9.1475 9.1475 9.1710 9.1710 9.2389 9.2389 11.4085 11.4085
12.2247 12.2247 12.2311 12.2311 12.3568 12.3568 12.4239 12.4239
12.4984 12.4984 12.5011 12.5011 17.3648 17.3648 17.4882 17.4882
21.5439 21.5439 21.5670 21.5670 21.6286 21.6286 21.9546 21.9546
22.2856 22.2856 22.3109 22.3109 23.2177 23.2177 23.2775 23.2775
23.4885 23.4885
k = 0.5000 0.5000 0.4487 ( 3344 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6126 -26.6126
-26.5805 -26.5805 -26.5804 -26.5804 -17.4911 -17.4911 -17.2607 -17.2607
-16.9578 -16.9578 -16.9562 -16.9562 -16.4804 -16.4804 -16.4787 -16.4787
3.4858 3.4858 5.4604 5.4604 5.4897 5.4897 5.8607 5.8607
9.1325 9.1325 9.1514 9.1514 9.2046 9.2046 11.3917 11.3917
12.2166 12.2166 12.2202 12.2202 12.3478 12.3478 12.4111 12.4111
12.4771 12.4771 12.4798 12.4798 17.3964 17.3964 17.4756 17.4756
21.5752 21.5752 21.5912 21.5912 21.6523 21.6523 21.9897 21.9897
22.3138 22.3138 22.3326 22.3326 23.2477 23.2477 23.2865 23.2865
23.5113 23.5113
k = 0.5000 0.5000 0.4615 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6127 -26.6127
-26.5805 -26.5805 -26.5804 -26.5804 -17.4926 -17.4926 -17.2623 -17.2623
-16.9573 -16.9573 -16.9564 -16.9564 -16.4784 -16.4784 -16.4775 -16.4775
3.5018 3.5018 5.4786 5.4786 5.4954 5.4954 5.8743 5.8743
9.1206 9.1206 9.1333 9.1333 9.1801 9.1801 11.3787 11.3787
12.2092 12.2092 12.2109 12.2109 12.3391 12.3391 12.4007 12.4007
12.4627 12.4627 12.4648 12.4648 17.4212 17.4212 17.4658 17.4658
21.5995 21.5995 21.6091 21.6091 21.6717 21.6717 22.0163 22.0163
22.3389 22.3389 22.3507 22.3507 23.2714 23.2714 23.2934 23.2934
23.5304 23.5304
k = 0.5000 0.5000 0.4744 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6129 -26.6129
-26.5805 -26.5805 -26.5805 -26.5805 -17.4937 -17.4937 -17.2635 -17.2635
-16.9570 -16.9570 -16.9566 -16.9566 -16.4770 -16.4770 -16.4766 -16.4766
3.5133 3.5133 5.4917 5.4917 5.4993 5.4993 5.8844 5.8844
9.1119 9.1119 9.1183 9.1183 9.1644 9.1644 11.3693 11.3693
12.2031 12.2031 12.2038 12.2038 12.3320 12.3320 12.3930 12.3930
12.4537 12.4537 12.4548 12.4548 17.4389 17.4389 17.4588 17.4588
21.6169 21.6169 21.6214 21.6214 21.6862 21.6862 22.0350 22.0350
22.3587 22.3587 22.3643 22.3643 23.2884 23.2884 23.2983 23.2983
23.5448 23.5448
k = 0.5000 0.5000 0.4872 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6129 -26.6129
-26.5805 -26.5805 -26.5805 -26.5805 -17.4943 -17.4943 -17.2642 -17.2642
-16.9568 -16.9568 -16.9567 -16.9567 -16.4762 -16.4762 -16.4761 -16.4761
3.5203 3.5203 5.4997 5.4997 5.5016 5.5016 5.8906 5.8906
9.1066 9.1066 9.1083 9.1083 9.1558 9.1558 11.3637 11.3637
12.1991 12.1991 12.1993 12.1993 12.3273 12.3273 12.3883 12.3883
12.4489 12.4489 12.4492 12.4492 17.4496 17.4496 17.4546 17.4546
21.6274 21.6274 21.6285 21.6285 21.6950 21.6950 22.0461 22.0461
22.3713 22.3713 22.3728 22.3728 23.2987 23.2987 23.3012 23.3012
23.5538 23.5538
k = 0.5000 0.5000 0.5000 ( 3328 PWs) bands (ev):
-55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -55.0805 -26.6130 -26.6130
-26.5805 -26.5805 -26.5805 -26.5805 -17.4945 -17.4945 -17.2644 -17.2644
-16.9567 -16.9567 -16.9567 -16.9567 -16.4759 -16.4759 -16.4759 -16.4759
3.5226 3.5226 5.5023 5.5023 5.5023 5.5023 5.8927 5.8927
9.1048 9.1048 9.1048 9.1048 9.1530 9.1530 11.3619 11.3619
12.1977 12.1977 12.1977 12.1977 12.3258 12.3258 12.3868 12.3868
12.4473 12.4473 12.4473 12.4473 17.4532 17.4532 17.4532 17.4532
21.6308 21.6308 21.6308 21.6308 21.6980 21.6980 22.0497 22.0497
22.3756 22.3756 22.3756 22.3756 23.3022 23.3022 23.3022 23.3022
23.5569 23.5569
Writing output data file W3N4.save
init_run : 0.16s CPU 0.47s WALL ( 1 calls)
electrons : 181.84s CPU 184.69s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.01s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 181.82s CPU 184.67s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.04s CPU 0.06s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.04s CPU 0.04s WALL ( 298 calls)
cegterg : 164.35s CPU 166.65s WALL ( 379 calls)
Called by sum_band:
Called by *egterg:
h_psi : 90.22s CPU 91.87s WALL ( 5757 calls)
s_psi : 5.61s CPU 5.83s WALL ( 5757 calls)
g_psi : 0.22s CPU 0.22s WALL ( 5080 calls)
cdiaghg : 65.52s CPU 66.32s WALL ( 5378 calls)
cegterg:over : 7.28s CPU 7.16s WALL ( 5080 calls)
cegterg:upda : 5.24s CPU 5.24s WALL ( 5080 calls)
cegterg:last : 3.10s CPU 3.23s WALL ( 975 calls)
cdiaghg:chol : 3.75s CPU 3.77s WALL ( 5378 calls)
cdiaghg:inve : 2.76s CPU 2.74s WALL ( 5378 calls)
cdiaghg:para : 4.70s CPU 4.67s WALL ( 10756 calls)
Called by h_psi:
h_psi:vloc : 76.82s CPU 78.15s WALL ( 5757 calls)
h_psi:vnl : 13.11s CPU 13.47s WALL ( 5757 calls)
add_vuspsi : 7.16s CPU 7.14s WALL ( 5757 calls)
General routines
calbec : 5.92s CPU 6.32s WALL ( 5757 calls)
fft : 0.00s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 72.24s CPU 73.45s WALL ( 936416 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.18s CPU 0.21s WALL ( 596 calls)
Parallel routines
fft_scatter : 26.49s CPU 27.17s WALL ( 936439 calls)
PWSCF : 3m19.20s CPU 3m33.42s WALL
This run was terminated on: 20:58:28 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=