Program PWSCF v.5.1.1 starts on 2Nov2015 at 1:53:59
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 48 processors
R & G space division: proc/nbgrp/npool/nimage = 48
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:
./TaCu3Se4.save/
file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 50 35 10 1856 1073 168
Max 51 36 11 1861 1087 173
Sum 2417 1685 489 89199 51867 8121
bravais-lattice index = 14
lattice parameter (alat) = 10.7053 a.u.
unit-cell volume = 1226.8635 (a.u.)^3
number of atoms/cell = 8
number of atomic types = 3
number of electrons = 70.00
number of Kohn-Sham states= 84
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 265.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 10.705298 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 Ta read from file:
/home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf
Pseudo is Ultrasoft + core correction, Zval = 13.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 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 Se read from file:
/home/autes/Pseudo/Se_MT_PBE.UPF
MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307
Pseudo is Norm-conserving, Zval = 6.0
Generated using "atomic" code by A. Dal Corso (espresso distribution)
Using radial grid of 1211 points, 3 beta functions with:
l(1) = 0
l(2) = 1
l(3) = 1
PseudoPot. # 3 for Cu read from file:
/home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: bfb9b73be46f5385f72b338ff57911ad
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1199 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Ta 13.00 180.94790 Ta( 1.00)
Se 6.00 78.96000 Se( 1.00)
Cu 11.00 63.54600 Cu( 1.00)
24 Sym. Ops. (no inversion) found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 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 = 5 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s( 5) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 6 120 deg rotation - cart. axis [-1,1,1]
cryst. s( 6) = ( 0 0 -1 )
( -1 0 0 )
( 0 1 0 )
cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 )
( -0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 7 120 deg rotation - cart. axis [1,1,-1]
cryst. s( 7) = ( 0 0 -1 )
( 1 0 0 )
( 0 -1 0 )
cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 )
( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 8 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 8) = ( 0 0 1 )
( -1 0 0 )
( 0 -1 0 )
cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 9 120 deg rotation - cart. axis [1,1,1]
cryst. s( 9) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 10 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(10) = ( 0 -1 0 )
( 0 0 -1 )
( 1 0 0 )
cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 11 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(11) = ( 0 -1 0 )
( 0 0 1 )
( -1 0 0 )
cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 12 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(12) = ( 0 1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 13 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(13) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(14) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(15) = ( 0 1 0 )
( -1 0 0 )
( 0 0 -1 )
cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 16 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(16) = ( 0 -1 0 )
( 1 0 0 )
( 0 0 -1 )
cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 17 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(17) = ( 0 0 -1 )
( 0 1 0 )
( -1 0 0 )
cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 )
( -0.0000000 1.0000000 -0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s(18) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 19 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(19) = ( 0 0 1 )
( 0 -1 0 )
( -1 0 0 )
cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(20) = ( 0 0 -1 )
( 0 -1 0 )
( 1 0 0 )
cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 )
( -0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 21 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(21) = ( 1 0 0 )
( 0 0 -1 )
( 0 -1 0 )
cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 )
( 0.0000000 -0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(22) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(23) = ( -1 0 0 )
( 0 0 1 )
( 0 -1 0 )
cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 24 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(24) = ( -1 0 0 )
( 0 0 -1 )
( 0 1 0 )
cart. s(24) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
double point group T_d (-43m)
there are 8 classes and 3 irreducible representations
the character table:
E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4
-3C2 -6s_d
G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41
G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41
G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00
the symmetry operations in each class:
E 1
3C2 -3C2 2 -2 3 -3 4 -4
8C3 5 7 8 6 12 9 10 11
6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22
6S4 15 16 20 19 23 24
-E -1
-8C3 -5 -7 -8 -6 -12 -9 -10 -11
-6S4 -15 -16 -20 -19 -23 -24
Cartesian axes
number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662
k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662
k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662
k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662
k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662
k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662
k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662
k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662
k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662
k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662
k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662
k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662
k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662
k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662
k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662
k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662
k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662
k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662
k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662
k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662
k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662
k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662
k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662
k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662
k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662
k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662
k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662
k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662
k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662
k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662
k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662
k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662
k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662
k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662
k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662
k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662
k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662
k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662
k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662
k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662
k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662
k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662
k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662
k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662
k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662
k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662
k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662
k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662
k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662
k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662
k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662
k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662
k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662
k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662
k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662
k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662
k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662
k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662
k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662
k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662
k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662
k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662
k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662
k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662
k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662
k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662
k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662
k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662
k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662
k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662
k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662
k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662
k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662
k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662
k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662
k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662
k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662
k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662
k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662
k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662
k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662
k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662
k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662
k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662
k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662
k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662
k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662
k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662
k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662
k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662
k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662
k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662
k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662
k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662
k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662
k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662
k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662
k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662
k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662
k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662
k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662
k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662
k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662
k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662
k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662
k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662
k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662
k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662
k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662
k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662
k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662
k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662
k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662
k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662
k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662
k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662
k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662
k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662
k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662
k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662
k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662
k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662
k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662
k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662
k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662
k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662
k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662
k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662
k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662
k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662
k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662
k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662
k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662
k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662
k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662
k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662
k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662
k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662
k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662
k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662
k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662
k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662
k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662
k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662
k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662
k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662
k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662
k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662
k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662
k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662
k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662
k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662
k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662
k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662
k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662
k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662
k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662
k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662
k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662
k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662
k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662
k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662
k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662
k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662
k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662
k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662
k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662
k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662
k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662
k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662
k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662
k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662
k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662
k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662
k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662
k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662
k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662
k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662
k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662
k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662
k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662
k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662
k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662
k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662
k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662
k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662
k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662
k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662
k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662
k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662
k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662
k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662
k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662
k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662
k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662
k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662
k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662
k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662
k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662
k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662
k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662
k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662
k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662
k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662
k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662
k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662
k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662
k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662
k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662
k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662
k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662
k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662
k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662
k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662
k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662
k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662
k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662
k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662
k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662
k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662
k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662
k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662
k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662
k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662
k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662
k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662
k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662
k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662
k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662
k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662
k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662
k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662
k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662
k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662
k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662
k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662
k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662
k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662
k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662
k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662
k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662
k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662
k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662
k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662
k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662
k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662
k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662
k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662
k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662
k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662
k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662
k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662
k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662
k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662
k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662
k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662
k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662
k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662
k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045662
k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662
k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045662
k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662
k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662
k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662
k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662
k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662
k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662
k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662
k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662
k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662
k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662
k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662
k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662
k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662
k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662
k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662
k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662
k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662
k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662
k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662
k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045662
k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045662
k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662
k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662
k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662
k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662
k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045662
k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662
k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662
k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662
k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662
k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662
k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662
k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662
k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662
k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045662
k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662
k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662
k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045662
k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662
k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662
k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662
k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662
k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662
k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045662
k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662
k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662
k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045662
k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662
k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662
k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662
k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662
k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662
k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662
k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662
k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662
k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662
k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662
k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662
k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662
k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662
k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662
k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662
k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662
k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662
k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662
k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662
k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662
k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662
k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662
k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662
k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662
k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662
k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662
k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662
k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662
k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662
k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662
k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662
k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662
k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662
k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662
k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662
k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662
k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662
k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662
k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662
k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662
k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662
k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662
k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662
k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662
k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662
k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662
k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662
k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662
k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662
k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662
k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662
k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662
k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662
k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662
k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662
k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662
k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662
k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662
k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662
k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662
k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662
k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662
k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662
k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662
k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662
k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662
k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662
k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662
k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662
k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662
k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662
k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662
k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662
k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662
k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662
k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662
k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662
k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662
k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662
k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662
k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662
k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662
k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662
k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662
k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662
k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662
k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662
k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662
k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662
k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662
k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662
k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662
k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662
k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662
k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662
k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662
k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662
k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662
k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662
k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662
k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662
k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662
k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662
k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662
k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662
k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662
k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662
k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662
k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662
k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662
k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662
k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662
k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662
k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662
k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662
k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662
k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662
k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662
k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662
k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662
Dense grid: 89199 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 51867 G-vectors FFT dimensions: ( 48, 48, 48)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.36 Mb ( 280, 84)
NL pseudopotentials 0.35 Mb ( 140, 164)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1858)
G-vector shells 0.00 Mb ( 468)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.44 Mb ( 280, 336)
Each subspace H/S matrix 1.72 Mb ( 336, 336)
Each <psi_i|beta_j> matrix 0.42 Mb ( 164, 2, 84)
Check: negative/imaginary core charge= -0.000005 0.000000
The potential is recalculated from file :
./TaCu3Se4.save/charge-density.dat
Starting wfc are 106 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 48.5 secs
Computing kpt #: 2
total cpu time spent up to now is 55.2 secs
Computing kpt #: 3
total cpu time spent up to now is 62.3 secs
Computing kpt #: 4
total cpu time spent up to now is 69.8 secs
Computing kpt #: 5
total cpu time spent up to now is 81.7 secs
Computing kpt #: 6
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 91.2 secs
Computing kpt #: 7
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 103.4 secs
Computing kpt #: 8
total cpu time spent up to now is 112.0 secs
Computing kpt #: 9
total cpu time spent up to now is 122.1 secs
Computing kpt #: 10
total cpu time spent up to now is 128.5 secs
Computing kpt #: 11
total cpu time spent up to now is 134.8 secs
Computing kpt #: 12
total cpu time spent up to now is 143.8 secs
Computing kpt #: 13
total cpu time spent up to now is 149.4 secs
Computing kpt #: 14
total cpu time spent up to now is 154.5 secs
Computing kpt #: 15
total cpu time spent up to now is 159.1 secs
Computing kpt #: 16
total cpu time spent up to now is 165.9 secs
Computing kpt #: 17
total cpu time spent up to now is 170.3 secs
Computing kpt #: 18
total cpu time spent up to now is 174.7 secs
Computing kpt #: 19
total cpu time spent up to now is 179.1 secs
Computing kpt #: 20
total cpu time spent up to now is 186.9 secs
Computing kpt #: 21
total cpu time spent up to now is 191.4 secs
Computing kpt #: 22
total cpu time spent up to now is 196.1 secs
Computing kpt #: 23
total cpu time spent up to now is 200.9 secs
Computing kpt #: 24
total cpu time spent up to now is 205.6 secs
Computing kpt #: 25
total cpu time spent up to now is 212.7 secs
Computing kpt #: 26
total cpu time spent up to now is 217.5 secs
Computing kpt #: 27
total cpu time spent up to now is 222.1 secs
Computing kpt #: 28
total cpu time spent up to now is 226.7 secs
Computing kpt #: 29
total cpu time spent up to now is 234.1 secs
Computing kpt #: 30
total cpu time spent up to now is 238.6 secs
Computing kpt #: 31
total cpu time spent up to now is 243.3 secs
Computing kpt #: 32
total cpu time spent up to now is 248.2 secs
Computing kpt #: 33
total cpu time spent up to now is 255.5 secs
Computing kpt #: 34
total cpu time spent up to now is 260.4 secs
Computing kpt #: 35
total cpu time spent up to now is 265.3 secs
Computing kpt #: 36
total cpu time spent up to now is 270.1 secs
Computing kpt #: 37
total cpu time spent up to now is 277.6 secs
Computing kpt #: 38
total cpu time spent up to now is 282.3 secs
Computing kpt #: 39
total cpu time spent up to now is 287.1 secs
Computing kpt #: 40
total cpu time spent up to now is 291.8 secs
Computing kpt #: 41
total cpu time spent up to now is 299.8 secs
Computing kpt #: 42
total cpu time spent up to now is 304.4 secs
Computing kpt #: 43
total cpu time spent up to now is 309.0 secs
Computing kpt #: 44
total cpu time spent up to now is 313.4 secs
Computing kpt #: 45
total cpu time spent up to now is 318.2 secs
Computing kpt #: 46
total cpu time spent up to now is 326.0 secs
Computing kpt #: 47
total cpu time spent up to now is 330.2 secs
Computing kpt #: 48
total cpu time spent up to now is 334.3 secs
Computing kpt #: 49
total cpu time spent up to now is 338.5 secs
Computing kpt #: 50
total cpu time spent up to now is 342.6 secs
Computing kpt #: 51
total cpu time spent up to now is 349.8 secs
Computing kpt #: 52
total cpu time spent up to now is 353.9 secs
Computing kpt #: 53
total cpu time spent up to now is 358.0 secs
Computing kpt #: 54
total cpu time spent up to now is 362.3 secs
Computing kpt #: 55
total cpu time spent up to now is 366.5 secs
Computing kpt #: 56
total cpu time spent up to now is 374.0 secs
Computing kpt #: 57
total cpu time spent up to now is 378.2 secs
Computing kpt #: 58
total cpu time spent up to now is 382.3 secs
Computing kpt #: 59
total cpu time spent up to now is 386.5 secs
Computing kpt #: 60
total cpu time spent up to now is 390.8 secs
Computing kpt #: 61
total cpu time spent up to now is 396.4 secs
Computing kpt #: 62
total cpu time spent up to now is 401.8 secs
Computing kpt #: 63
total cpu time spent up to now is 405.9 secs
Computing kpt #: 64
total cpu time spent up to now is 410.0 secs
Computing kpt #: 65
total cpu time spent up to now is 415.0 secs
Computing kpt #: 66
total cpu time spent up to now is 420.3 secs
Computing kpt #: 67
total cpu time spent up to now is 424.5 secs
Computing kpt #: 68
total cpu time spent up to now is 429.0 secs
Computing kpt #: 69
total cpu time spent up to now is 433.7 secs
Computing kpt #: 70
total cpu time spent up to now is 438.9 secs
Computing kpt #: 71
total cpu time spent up to now is 444.4 secs
Computing kpt #: 72
total cpu time spent up to now is 449.3 secs
Computing kpt #: 73
total cpu time spent up to now is 454.5 secs
Computing kpt #: 74
total cpu time spent up to now is 459.9 secs
Computing kpt #: 75
total cpu time spent up to now is 465.0 secs
Computing kpt #: 76
total cpu time spent up to now is 469.9 secs
Computing kpt #: 77
total cpu time spent up to now is 475.1 secs
Computing kpt #: 78
total cpu time spent up to now is 480.1 secs
Computing kpt #: 79
total cpu time spent up to now is 484.9 secs
Computing kpt #: 80
total cpu time spent up to now is 489.9 secs
Computing kpt #: 81
total cpu time spent up to now is 495.1 secs
Computing kpt #: 82
total cpu time spent up to now is 501.7 secs
Computing kpt #: 83
total cpu time spent up to now is 511.1 secs
Computing kpt #: 84
total cpu time spent up to now is 518.9 secs
Computing kpt #: 85
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 528.9 secs
Computing kpt #: 86
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 538.8 secs
Computing kpt #: 87
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 548.8 secs
Computing kpt #: 88
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 558.7 secs
Computing kpt #: 89
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 568.7 secs
Computing kpt #: 90
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 578.6 secs
Computing kpt #: 91
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 588.7 secs
Computing kpt #: 92
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 598.8 secs
Computing kpt #: 93
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 608.7 secs
Computing kpt #: 94
total cpu time spent up to now is 618.0 secs
Computing kpt #: 95
total cpu time spent up to now is 627.7 secs
Computing kpt #: 96
total cpu time spent up to now is 635.5 secs
Computing kpt #: 97
total cpu time spent up to now is 642.3 secs
Computing kpt #: 98
total cpu time spent up to now is 650.0 secs
Computing kpt #: 99
total cpu time spent up to now is 656.6 secs
Computing kpt #: 100
total cpu time spent up to now is 663.9 secs
Computing kpt #: 101
total cpu time spent up to now is 670.6 secs
Computing kpt #: 102
total cpu time spent up to now is 677.2 secs
Computing kpt #: 103
total cpu time spent up to now is 685.1 secs
Computing kpt #: 104
total cpu time spent up to now is 692.7 secs
Computing kpt #: 105
total cpu time spent up to now is 700.6 secs
Computing kpt #: 106
total cpu time spent up to now is 709.7 secs
Computing kpt #: 107
total cpu time spent up to now is 718.8 secs
Computing kpt #: 108
total cpu time spent up to now is 728.2 secs
Computing kpt #: 109
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 737.9 secs
Computing kpt #: 110
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 747.5 secs
Computing kpt #: 111
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 757.1 secs
Computing kpt #: 112
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 766.8 secs
Computing kpt #: 113
total cpu time spent up to now is 775.8 secs
Computing kpt #: 114
total cpu time spent up to now is 784.9 secs
Computing kpt #: 115
total cpu time spent up to now is 791.5 secs
Computing kpt #: 116
total cpu time spent up to now is 799.2 secs
Computing kpt #: 117
total cpu time spent up to now is 807.0 secs
Computing kpt #: 118
total cpu time spent up to now is 813.7 secs
Computing kpt #: 119
total cpu time spent up to now is 819.7 secs
Computing kpt #: 120
total cpu time spent up to now is 825.4 secs
Computing kpt #: 121
total cpu time spent up to now is 832.1 secs
Computing kpt #: 122
total cpu time spent up to now is 836.9 secs
Computing kpt #: 123
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 846.5 secs
Computing kpt #: 124
total cpu time spent up to now is 851.2 secs
Computing kpt #: 125
total cpu time spent up to now is 855.8 secs
Computing kpt #: 126
total cpu time spent up to now is 860.4 secs
Computing kpt #: 127
total cpu time spent up to now is 865.1 secs
Computing kpt #: 128
total cpu time spent up to now is 869.7 secs
Computing kpt #: 129
total cpu time spent up to now is 874.2 secs
Computing kpt #: 130
total cpu time spent up to now is 878.9 secs
Computing kpt #: 131
total cpu time spent up to now is 883.4 secs
Computing kpt #: 132
total cpu time spent up to now is 887.9 secs
Computing kpt #: 133
total cpu time spent up to now is 892.2 secs
Computing kpt #: 134
total cpu time spent up to now is 896.4 secs
Computing kpt #: 135
total cpu time spent up to now is 900.7 secs
Computing kpt #: 136
total cpu time spent up to now is 905.1 secs
Computing kpt #: 137
total cpu time spent up to now is 909.4 secs
Computing kpt #: 138
total cpu time spent up to now is 913.7 secs
Computing kpt #: 139
total cpu time spent up to now is 918.6 secs
Computing kpt #: 140
total cpu time spent up to now is 924.5 secs
Computing kpt #: 141
total cpu time spent up to now is 928.9 secs
Computing kpt #: 142
total cpu time spent up to now is 933.7 secs
Computing kpt #: 143
total cpu time spent up to now is 938.0 secs
Computing kpt #: 144
total cpu time spent up to now is 942.3 secs
Computing kpt #: 145
total cpu time spent up to now is 946.7 secs
Computing kpt #: 146
total cpu time spent up to now is 951.0 secs
Computing kpt #: 147
total cpu time spent up to now is 955.3 secs
Computing kpt #: 148
total cpu time spent up to now is 959.5 secs
Computing kpt #: 149
total cpu time spent up to now is 963.7 secs
Computing kpt #: 150
total cpu time spent up to now is 967.7 secs
Computing kpt #: 151
total cpu time spent up to now is 971.9 secs
Computing kpt #: 152
total cpu time spent up to now is 976.3 secs
Computing kpt #: 153
total cpu time spent up to now is 980.6 secs
Computing kpt #: 154
total cpu time spent up to now is 985.0 secs
Computing kpt #: 155
total cpu time spent up to now is 989.3 secs
Computing kpt #: 156
total cpu time spent up to now is 993.6 secs
Computing kpt #: 157
total cpu time spent up to now is 997.9 secs
Computing kpt #: 158
total cpu time spent up to now is 1002.1 secs
Computing kpt #: 159
total cpu time spent up to now is 1006.4 secs
Computing kpt #: 160
total cpu time spent up to now is 1010.6 secs
Computing kpt #: 161
total cpu time spent up to now is 1014.8 secs
Computing kpt #: 162
total cpu time spent up to now is 1019.0 secs
Computing kpt #: 163
total cpu time spent up to now is 1023.0 secs
Computing kpt #: 164
total cpu time spent up to now is 1027.1 secs
Computing kpt #: 165
total cpu time spent up to now is 1031.1 secs
Computing kpt #: 166
total cpu time spent up to now is 1035.2 secs
Computing kpt #: 167
total cpu time spent up to now is 1039.0 secs
Computing kpt #: 168
total cpu time spent up to now is 1043.1 secs
Computing kpt #: 169
total cpu time spent up to now is 1047.2 secs
Computing kpt #: 170
total cpu time spent up to now is 1051.4 secs
Computing kpt #: 171
total cpu time spent up to now is 1055.5 secs
Computing kpt #: 172
total cpu time spent up to now is 1059.7 secs
Computing kpt #: 173
total cpu time spent up to now is 1064.0 secs
Computing kpt #: 174
total cpu time spent up to now is 1068.2 secs
Computing kpt #: 175
total cpu time spent up to now is 1072.5 secs
Computing kpt #: 176
total cpu time spent up to now is 1076.8 secs
Computing kpt #: 177
total cpu time spent up to now is 1081.3 secs
Computing kpt #: 178
total cpu time spent up to now is 1085.8 secs
Computing kpt #: 179
total cpu time spent up to now is 1090.4 secs
Computing kpt #: 180
total cpu time spent up to now is 1095.1 secs
Computing kpt #: 181
total cpu time spent up to now is 1099.9 secs
Computing kpt #: 182
total cpu time spent up to now is 1104.8 secs
Computing kpt #: 183
total cpu time spent up to now is 1109.6 secs
Computing kpt #: 184
total cpu time spent up to now is 1114.4 secs
Computing kpt #: 185
total cpu time spent up to now is 1119.3 secs
Computing kpt #: 186
total cpu time spent up to now is 1124.0 secs
Computing kpt #: 187
total cpu time spent up to now is 1128.9 secs
Computing kpt #: 188
total cpu time spent up to now is 1133.6 secs
Computing kpt #: 189
total cpu time spent up to now is 1138.2 secs
Computing kpt #: 190
total cpu time spent up to now is 1142.8 secs
Computing kpt #: 191
total cpu time spent up to now is 1146.9 secs
Computing kpt #: 192
total cpu time spent up to now is 1150.9 secs
Computing kpt #: 193
total cpu time spent up to now is 1154.9 secs
Computing kpt #: 194
total cpu time spent up to now is 1158.9 secs
Computing kpt #: 195
total cpu time spent up to now is 1162.9 secs
Computing kpt #: 196
total cpu time spent up to now is 1166.9 secs
Computing kpt #: 197
total cpu time spent up to now is 1171.0 secs
Computing kpt #: 198
total cpu time spent up to now is 1175.1 secs
Computing kpt #: 199
total cpu time spent up to now is 1179.2 secs
Computing kpt #: 200
total cpu time spent up to now is 1183.2 secs
Computing kpt #: 201
total cpu time spent up to now is 1187.3 secs
Computing kpt #: 202
total cpu time spent up to now is 1191.5 secs
Computing kpt #: 203
total cpu time spent up to now is 1195.8 secs
Computing kpt #: 204
total cpu time spent up to now is 1200.1 secs
Computing kpt #: 205
total cpu time spent up to now is 1204.5 secs
Computing kpt #: 206
total cpu time spent up to now is 1208.9 secs
Computing kpt #: 207
total cpu time spent up to now is 1213.3 secs
Computing kpt #: 208
total cpu time spent up to now is 1218.0 secs
Computing kpt #: 209
total cpu time spent up to now is 1224.0 secs
Computing kpt #: 210
total cpu time spent up to now is 1228.5 secs
Computing kpt #: 211
total cpu time spent up to now is 1232.8 secs
Computing kpt #: 212
total cpu time spent up to now is 1237.2 secs
Computing kpt #: 213
total cpu time spent up to now is 1241.4 secs
Computing kpt #: 214
total cpu time spent up to now is 1245.7 secs
Computing kpt #: 215
total cpu time spent up to now is 1249.9 secs
Computing kpt #: 216
total cpu time spent up to now is 1254.2 secs
Computing kpt #: 217
total cpu time spent up to now is 1258.4 secs
Computing kpt #: 218
total cpu time spent up to now is 1262.6 secs
Computing kpt #: 219
total cpu time spent up to now is 1266.8 secs
ethr = 1.43E-11, avg # of iterations = 43.6
total cpu time spent up to now is 1266.9 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1292 -7.1292 -6.1202 -6.1202 -6.0342 -6.0342 -6.0342 -6.0342
1.0205 1.0205 1.0205 1.0205 1.4076 1.4076 2.7296 2.7296
2.7779 2.7779 2.7779 2.7779 3.3017 3.3017 3.4099 3.4099
3.4099 3.4099 3.7706 3.7706 3.7858 3.7858 3.7858 3.7858
3.8351 3.8351 3.8351 3.8351 4.4105 4.4105 4.5306 4.5306
4.5306 4.5306 4.6491 4.6491 4.6908 4.6908 4.6908 4.6908
4.9616 4.9616 5.0941 5.0941 5.1788 5.1788 5.1788 5.1788
6.2633 6.2633 6.2633 6.2633 6.2974 6.2974 8.3625 8.3625
8.4679 8.4679 8.4679 8.4679 8.5329 8.5329 8.6773 8.6773
8.6773 8.6773 11.8648 11.8648
k = 0.0000 0.0179-0.0000 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1285 -7.1285 -6.1205 -6.1205 -6.0347 -6.0347 -6.0342 -6.0342
1.0208 1.0208 1.0224 1.0224 1.4086 1.4086 2.7292 2.7292
2.7769 2.7769 2.7783 2.7783 3.3010 3.3010 3.4076 3.4076
3.4105 3.4105 3.7630 3.7630 3.7800 3.7800 3.7937 3.7937
3.8319 3.8319 3.8436 3.8436 4.4098 4.4098 4.5248 4.5248
4.5354 4.5354 4.6488 4.6488 4.6886 4.6886 4.6932 4.6932
4.9618 4.9618 5.0939 5.0939 5.1751 5.1751 5.1818 5.1818
6.2606 6.2606 6.2627 6.2627 6.2959 6.2959 8.3605 8.3605
8.4542 8.4542 8.4700 8.4700 8.5519 8.5519 8.6735 8.6735
8.6872 8.6872 11.8666 11.8666
k = 0.0000 0.0357-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7105 -25.7105 -25.7105 -25.7105
-7.1265 -7.1265 -6.1213 -6.1213 -6.0364 -6.0364 -6.0342 -6.0342
1.0228 1.0228 1.0268 1.0268 1.4117 1.4117 2.7278 2.7278
2.7744 2.7744 2.7792 2.7792 3.2987 3.2987 3.4031 3.4031
3.4098 3.4098 3.7454 3.7454 3.7786 3.7786 3.7983 3.7983
3.8322 3.8322 3.8574 3.8574 4.4078 4.4078 4.5185 4.5185
4.5390 4.5390 4.6480 4.6480 4.6865 4.6865 4.6956 4.6956
4.9625 4.9625 5.0935 5.0935 5.1706 5.1706 5.1840 5.1840
6.2524 6.2524 6.2609 6.2609 6.2918 6.2918 8.3526 8.3526
8.4379 8.4379 8.4731 8.4731 8.5871 8.5871 8.6744 8.6744
8.7063 8.7063 11.8716 11.8716
k = 0.0000 0.0536-0.0000 ( 6487 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1232 -7.1232 -6.1228 -6.1228 -6.0391 -6.0391 -6.0342 -6.0342
1.0265 1.0265 1.0339 1.0339 1.4170 1.4170 2.7248 2.7248
2.7709 2.7709 2.7808 2.7808 3.2948 3.2948 3.3965 3.3965
3.4084 3.4084 3.7240 3.7240 3.7779 3.7779 3.8009 3.8009
3.8345 3.8345 3.8742 3.8742 4.4046 4.4046 4.5119 4.5119
4.5410 4.5410 4.6469 4.6469 4.6848 4.6848 4.6983 4.6983
4.9638 4.9638 5.0928 5.0928 5.1654 5.1654 5.1856 5.1856
6.2379 6.2379 6.2580 6.2580 6.2862 6.2862 8.3370 8.3370
8.4326 8.4326 8.4782 8.4782 8.6210 8.6210 8.6797 8.6797
8.7391 8.7391 11.8798 11.8798
k = 0.0000 0.0714-0.0000 ( 6479 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1186 -7.1186 -6.1250 -6.1250 -6.0427 -6.0427 -6.0342 -6.0342
1.0317 1.0317 1.0438 1.0438 1.4243 1.4243 2.7192 2.7192
2.7676 2.7676 2.7830 2.7830 3.2889 3.2889 3.3881 3.3881
3.4063 3.4063 3.7004 3.7004 3.7774 3.7774 3.8026 3.8026
3.8380 3.8380 3.8926 3.8926 4.4001 4.4001 4.5053 4.5053
4.5413 4.5413 4.6457 4.6457 4.6833 4.6833 4.7010 4.7010
4.9655 4.9655 5.0918 5.0918 5.1596 5.1596 5.1868 5.1868
6.2171 6.2171 6.2539 6.2539 6.2798 6.2798 8.3165 8.3165
8.4379 8.4379 8.4849 8.4849 8.6473 8.6473 8.6899 8.6899
8.7885 8.7885 11.8906 11.8906
k = 0.0000 0.0893-0.0000 ( 6491 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1126 -7.1126 -6.1281 -6.1281 -6.0470 -6.0470 -6.0342 -6.0342
1.0383 1.0383 1.0563 1.0563 1.4337 1.4337 2.7100 2.7100
2.7654 2.7654 2.7858 2.7858 3.2805 3.2805 3.3785 3.3785
3.4035 3.4035 3.6749 3.6749 3.7768 3.7768 3.8041 3.8041
3.8422 3.8422 3.9116 3.9116 4.3943 4.3943 4.4989 4.4989
4.5394 4.5394 4.6445 4.6445 4.6821 4.6821 4.7036 4.7036
4.9675 4.9675 5.0904 5.0904 5.1533 5.1533 5.1876 5.1876
6.1906 6.1906 6.2489 6.2489 6.2726 6.2726 8.2949 8.2949
8.4501 8.4501 8.4930 8.4930 8.6666 8.6666 8.7056 8.7056
8.8518 8.8518 11.9021 11.9021
k = 0.0000 0.1071-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1054 -7.1054 -6.1324 -6.1324 -6.0518 -6.0518 -6.0342 -6.0342
1.0464 1.0464 1.0715 1.0715 1.4452 1.4452 2.6969 2.6969
2.7649 2.7649 2.7893 2.7893 3.2690 3.2690 3.3686 3.3686
3.4001 3.4001 3.6475 3.6475 3.7761 3.7761 3.8057 3.8057
3.8471 3.8471 3.9312 3.9312 4.3874 4.3874 4.4928 4.4928
4.5356 4.5356 4.6436 4.6436 4.6810 4.6810 4.7062 4.7062
4.9700 4.9700 5.0885 5.0885 5.1466 5.1466 5.1881 5.1881
6.1592 6.1592 6.2430 6.2430 6.2647 6.2647 8.2741 8.2741
8.4672 8.4672 8.5023 8.5023 8.6825 8.6825 8.7260 8.7260
8.9250 8.9250 11.9001 11.9001
k = 0.0000 0.1250-0.0000 ( 6495 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7105 -25.7105
-7.0970 -7.0970 -6.1381 -6.1381 -6.0566 -6.0566 -6.0342 -6.0342
1.0558 1.0558 1.0893 1.0893 1.4588 1.4588 2.6798 2.6798
2.7659 2.7659 2.7932 2.7932 3.2541 3.2541 3.3591 3.3591
3.3960 3.3960 3.6182 3.6182 3.7755 3.7755 3.8075 3.8075
3.8522 3.8522 3.9510 3.9510 4.3794 4.3794 4.4870 4.4870
4.5300 4.5300 4.6426 4.6426 4.6799 4.6799 4.7086 4.7086
4.9727 4.9727 5.0862 5.0862 5.1398 5.1398 5.1886 5.1886
6.1239 6.1239 6.2362 6.2362 6.2559 6.2559 8.2549 8.2549
8.4877 8.4877 8.5124 8.5124 8.6978 8.6978 8.7500 8.7500
9.0056 9.0056 11.8833 11.8833
k = 0.0000 0.1429-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7105 -25.7105
-7.0873 -7.0873 -6.1454 -6.1454 -6.0613 -6.0613 -6.0342 -6.0342
1.0665 1.0665 1.1096 1.1096 1.4745 1.4745 2.6595 2.6595
2.7681 2.7681 2.7978 2.7978 3.2355 3.2355 3.3504 3.3504
3.3913 3.3913 3.5870 3.5870 3.7748 3.7748 3.8096 3.8096
3.8575 3.8575 3.9712 3.9712 4.3707 4.3707 4.4815 4.4815
4.5228 4.5228 4.6417 4.6417 4.6787 4.6787 4.7109 4.7109
4.9758 4.9758 5.0835 5.0835 5.1330 5.1330 5.1890 5.1890
6.0856 6.0856 6.2288 6.2288 6.2463 6.2463 8.2373 8.2373
8.5111 8.5111 8.5230 8.5230 8.7141 8.7141 8.7767 8.7767
9.0922 9.0922 11.8635 11.8635
k = 0.0000 0.1607-0.0000 ( 6487 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7108 -25.7108 -25.7105 -25.7105
-7.0764 -7.0764 -6.1545 -6.1545 -6.0656 -6.0656 -6.0342 -6.0342
1.0784 1.0784 1.1324 1.1324 1.4922 1.4922 2.6362 2.6362
2.7711 2.7711 2.8026 2.8026 3.2134 3.2134 3.3428 3.3428
3.3859 3.3859 3.5539 3.5539 3.7740 3.7740 3.8119 3.8119
3.8630 3.8630 3.9917 3.9917 4.3615 4.3615 4.4762 4.4762
4.5144 4.5144 4.6406 4.6406 4.6772 4.6772 4.7128 4.7128
4.9793 4.9793 5.0805 5.0805 5.1264 5.1264 5.1895 5.1895
6.0450 6.0450 6.2208 6.2208 6.2360 6.2360 8.2213 8.2213
8.5336 8.5336 8.5369 8.5369 8.7318 8.7318 8.8055 8.8055
9.1837 9.1837 11.8427 11.8427
k = 0.0000 0.1786-0.0000 ( 6495 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7109 -25.7109 -25.7105 -25.7105
-7.0644 -7.0644 -6.1655 -6.1655 -6.0692 -6.0692 -6.0342 -6.0342
1.0915 1.0915 1.1575 1.1575 1.5119 1.5119 2.6102 2.6102
2.7748 2.7748 2.8079 2.8079 3.1882 3.1882 3.3362 3.3362
3.3795 3.3795 3.5192 3.5192 3.7732 3.7732 3.8145 3.8145
3.8684 3.8684 4.0124 4.0124 4.3519 4.3519 4.4710 4.4710
4.5052 4.5052 4.6392 4.6392 4.6750 4.6750 4.7143 4.7143
4.9831 4.9831 5.0774 5.0774 5.1202 5.1202 5.1902 5.1902
6.0028 6.0028 6.2125 6.2125 6.2252 6.2252 8.2068 8.2068
8.5444 8.5444 8.5642 8.5642 8.7508 8.7508 8.8359 8.8359
9.2792 9.2792 11.8214 11.8214
k = 0.0000 0.1964-0.0000 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7109 -25.7109 -25.7105 -25.7105
-7.0513 -7.0513 -6.1783 -6.1783 -6.0723 -6.0723 -6.0342 -6.0342
1.1056 1.1056 1.1848 1.1848 1.5337 1.5337 2.5819 2.5819
2.7790 2.7790 2.8137 2.8137 3.1606 3.1606 3.3303 3.3303
3.3716 3.3716 3.4833 3.4833 3.7724 3.7724 3.8174 3.8174
3.8737 3.8737 4.0334 4.0334 4.3423 4.3423 4.4659 4.4659
4.4955 4.4955 4.6376 4.6376 4.6722 4.6722 4.7153 4.7153
4.9874 4.9874 5.0744 5.0744 5.1145 5.1145 5.1910 5.1910
5.9598 5.9598 6.2039 6.2039 6.2139 6.2139 8.1935 8.1935
8.5550 8.5550 8.5928 8.5928 8.7712 8.7712 8.8675 8.8675
9.3780 9.3780 11.8001 11.8001
k = 0.0000 0.2143-0.0000 ( 6491 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7110 -25.7110 -25.7105 -25.7105
-7.0372 -7.0372 -6.1929 -6.1929 -6.0748 -6.0748 -6.0342 -6.0342
1.1206 1.1206 1.2143 1.2143 1.5575 1.5575 2.5514 2.5514
2.7835 2.7835 2.8196 2.8196 3.1309 3.1309 3.3250 3.3250
3.3611 3.3611 3.4477 3.4477 3.7716 3.7716 3.8204 3.8204
3.8788 3.8788 4.0545 4.0545 4.3328 4.3328 4.4604 4.4604
4.4857 4.4857 4.6355 4.6355 4.6684 4.6684 4.7156 4.7156
4.9923 4.9923 5.0718 5.0718 5.1092 5.1092 5.1919 5.1919
5.9164 5.9164 6.1951 6.1951 6.2022 6.2022 8.1815 8.1815
8.5654 8.5654 8.6222 8.6222 8.7926 8.7926 8.8999 8.8999
9.4795 9.4795 11.7794 11.7794
k = 0.0000 0.2321-0.0000 ( 6491 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7111 -25.7111 -25.7105 -25.7105
-7.0222 -7.0222 -6.2090 -6.2090 -6.0768 -6.0768 -6.0342 -6.0342
1.1364 1.1364 1.2457 1.2457 1.5833 1.5833 2.5190 2.5190
2.7883 2.7883 2.8257 2.8257 3.0998 3.0998 3.3199 3.3199
3.3449 3.3449 3.4156 3.4156 3.7707 3.7707 3.8237 3.8237
3.8838 3.8838 4.0759 4.0759 4.3236 4.3236 4.4547 4.4547
4.4760 4.4760 4.6331 4.6331 4.6636 4.6636 4.7149 4.7149
4.9976 4.9976 5.0699 5.0699 5.1046 5.1046 5.1930 5.1930
5.8732 5.8732 6.1862 6.1862 6.1903 6.1903 8.1705 8.1705
8.5754 8.5754 8.6520 8.6520 8.8147 8.8147 8.9327 8.9327
9.5830 9.5830 11.7595 11.7595
k = 0.0000 0.2500-0.0000 ( 6479 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7111 -25.7111 -25.7105 -25.7105
-7.0062 -7.0062 -6.2264 -6.2264 -6.0783 -6.0783 -6.0342 -6.0342
1.1529 1.1529 1.2790 1.2790 1.6108 1.6108 2.4849 2.4849
2.7933 2.7933 2.8321 2.8321 3.0677 3.0677 3.3120 3.3120
3.3214 3.3214 3.3919 3.3919 3.7698 3.7698 3.8272 3.8272
3.8885 3.8885 4.0974 4.0974 4.3148 4.3148 4.4485 4.4485
4.4669 4.4669 4.6304 4.6304 4.6579 4.6579 4.7132 4.7132
5.0035 5.0035 5.0688 5.0688 5.1007 5.1007 5.1943 5.1943
5.8306 5.8306 6.1773 6.1773 6.1786 6.1786 8.1605 8.1605
8.5851 8.5851 8.6817 8.6817 8.8372 8.8372 8.9654 8.9654
9.6877 9.6877 11.7407 11.7407
k = 0.0000 0.2679-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7112 -25.7112 -25.7105 -25.7105
-6.9894 -6.9894 -6.2450 -6.2450 -6.0796 -6.0796 -6.0341 -6.0341
1.1698 1.1698 1.3139 1.3139 1.6402 1.6402 2.4492 2.4492
2.7984 2.7984 2.8385 2.8385 3.0351 3.0351 3.2785 3.2785
3.3132 3.3132 3.3768 3.3768 3.7689 3.7689 3.8309 3.8309
3.8929 3.8929 4.1190 4.1190 4.3065 4.3065 4.4416 4.4416
4.4585 4.4585 4.6273 4.6273 4.6514 4.6514 4.7102 4.7102
5.0096 5.0096 5.0688 5.0688 5.0974 5.0974 5.1956 5.1956
5.7889 5.7889 6.1664 6.1664 6.1691 6.1691 8.1514 8.1514
8.5945 8.5945 8.7111 8.7111 8.8596 8.8596 8.9977 8.9977
9.7930 9.7930 11.7233 11.7233
k = 0.0000 0.2857-0.0000 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7113 -25.7113 -25.7105 -25.7105
-6.9720 -6.9720 -6.2644 -6.2644 -6.0805 -6.0805 -6.0341 -6.0341
1.1871 1.1871 1.3503 1.3503 1.6711 1.6711 2.4122 2.4122
2.8035 2.8035 2.8449 2.8449 3.0023 3.0023 3.2348 3.2348
3.3093 3.3093 3.3664 3.3664 3.7680 3.7680 3.8347 3.8347
3.8971 3.8971 4.1406 4.1406 4.2989 4.2989 4.4343 4.4343
4.4510 4.4510 4.6237 4.6237 4.6447 4.6447 4.7061 4.7061
5.0160 5.0160 5.0698 5.0698 5.0952 5.0952 5.1972 5.1972
5.7483 5.7483 6.1548 6.1548 6.1608 6.1608 8.1430 8.1430
8.6035 8.6035 8.7396 8.7396 8.8816 8.8816 9.0290 9.0290
9.8982 9.8982 11.7073 11.7073
k = 0.0000 0.3036-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7113 -25.7113 -25.7105 -25.7105
-6.9540 -6.9540 -6.2846 -6.2846 -6.0813 -6.0813 -6.0341 -6.0341
1.2044 1.2044 1.3880 1.3880 1.7034 1.7034 2.3741 2.3741
2.8086 2.8086 2.8512 2.8512 2.9699 2.9699 3.1876 3.1876
3.3060 3.3060 3.3581 3.3581 3.7671 3.7671 3.8385 3.8385
3.9009 3.9009 4.1621 4.1621 4.2918 4.2918 4.4265 4.4265
4.4442 4.4442 4.6191 4.6191 4.6380 4.6380 4.7006 4.7006
5.0222 5.0222 5.0714 5.0714 5.0944 5.0944 5.1988 5.1988
5.7091 5.7091 6.1436 6.1436 6.1528 6.1528 8.1355 8.1355
8.6120 8.6120 8.7671 8.7671 8.9028 8.9028 9.0592 9.0592
10.0024 10.0024 11.6928 11.6928
k = 0.0000 0.3214-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7114 -25.7114 -25.7105 -25.7105
-6.9356 -6.9356 -6.3052 -6.3052 -6.0819 -6.0819 -6.0341 -6.0341
1.2217 1.2217 1.4269 1.4269 1.7368 1.7368 2.3352 2.3352
2.8135 2.8135 2.8572 2.8572 2.9384 2.9384 3.1385 3.1385
3.3032 3.3032 3.3509 3.3509 3.7662 3.7662 3.8423 3.8423
3.9044 3.9044 4.1835 4.1835 4.2855 4.2855 4.4187 4.4187
4.4379 4.4379 4.6132 4.6132 4.6323 4.6323 4.6939 4.6939
5.0282 5.0282 5.0731 5.0731 5.0959 5.0959 5.2006 5.2006
5.6716 5.6716 6.1328 6.1328 6.1453 6.1453 8.1286 8.1286
8.6202 8.6202 8.7931 8.7931 8.9230 8.9230 9.0877 9.0877
10.1048 10.1048 11.6798 11.6798
k = 0.0000 0.3393-0.0000 ( 6487 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7115 -25.7115 -25.7105 -25.7105
-6.9170 -6.9170 -6.3260 -6.3260 -6.0823 -6.0823 -6.0341 -6.0341
1.2385 1.2385 1.4668 1.4668 1.7708 1.7708 2.2958 2.2958
2.8182 2.8182 2.8630 2.8630 2.9081 2.9081 3.0885 3.0885
3.3007 3.3007 3.3443 3.3443 3.7654 3.7654 3.8461 3.8461
3.9076 3.9076 4.2045 4.2045 4.2798 4.2798 4.4110 4.4110
4.4322 4.4322 4.6060 4.6060 4.6278 4.6278 4.6862 4.6862
5.0336 5.0336 5.0738 5.0738 5.1003 5.1003 5.2025 5.2025
5.6359 5.6359 6.1226 6.1226 6.1383 6.1383 8.1225 8.1225
8.6278 8.6278 8.8174 8.8174 8.9419 8.9419 9.1144 9.1144
10.2045 10.2045 11.6679 11.6679
k = 0.0000 0.3571-0.0000 ( 6491 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7116 -25.7116 -25.7105 -25.7105
-6.8983 -6.8983 -6.3467 -6.3467 -6.0827 -6.0827 -6.0341 -6.0341
1.2547 1.2547 1.5075 1.5075 1.8048 1.8048 2.2564 2.2564
2.8226 2.8226 2.8678 2.8678 2.8803 2.8803 3.0385 3.0385
3.2987 3.2987 3.3381 3.3381 3.7646 3.7646 3.8499 3.8499
3.9104 3.9104 4.2250 4.2250 4.2749 4.2749 4.4036 4.4036
4.4270 4.4270 4.5979 4.5979 4.6244 4.6244 4.6775 4.6775
5.0385 5.0385 5.0736 5.0736 5.1071 5.1071 5.2047 5.2047
5.6022 5.6022 6.1132 6.1132 6.1319 6.1319 8.1170 8.1170
8.6349 8.6349 8.8398 8.8398 8.9592 8.9592 9.1389 9.1389
10.3003 10.3003 11.6571 11.6571
k = 0.0000 0.3750-0.0000 ( 6483 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7116 -25.7116 -25.7105 -25.7105
-6.8800 -6.8800 -6.3671 -6.3671 -6.0830 -6.0830 -6.0341 -6.0341
1.2699 1.2699 1.5489 1.5489 1.8378 1.8378 2.2175 2.2175
2.8262 2.8262 2.8524 2.8524 2.8746 2.8746 2.9894 2.9894
3.2972 3.2972 3.3324 3.3324 3.7638 3.7638 3.8534 3.8534
3.9129 3.9129 4.2446 4.2446 4.2708 4.2708 4.3967 4.3967
4.4223 4.4223 4.5895 4.5895 4.6218 4.6218 4.6683 4.6683
5.0429 5.0429 5.0729 5.0729 5.1158 5.1158 5.2073 5.2073
5.5707 5.5707 6.1046 6.1046 6.1261 6.1261 8.1122 8.1122
8.6414 8.6414 8.8601 8.8601 8.9748 8.9748 9.1611 9.1611
10.3913 10.3913 11.6468 11.6468
k = 0.0000 0.3929-0.0000 ( 6487 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8622 -6.8622 -6.3866 -6.3866 -6.0832 -6.0832 -6.0342 -6.0342
1.2840 1.2840 1.5907 1.5907 1.8683 1.8683 2.1801 2.1801
2.8238 2.8238 2.8347 2.8347 2.8789 2.8789 2.9422 2.9422
3.2961 3.2961 3.3271 3.3271 3.7631 3.7631 3.8567 3.8567
3.9150 3.9150 4.2613 4.2613 4.2694 4.2694 4.3901 4.3901
4.4182 4.4182 4.5813 4.5813 4.6196 4.6196 4.6587 4.6587
5.0469 5.0469 5.0719 5.0719 5.1251 5.1251 5.2103 5.2103
5.5415 5.5415 6.0969 6.0969 6.1209 6.1209 8.1080 8.1080
8.6472 8.6472 8.8780 8.8780 8.9885 8.9885 9.1806 9.1806
10.4759 10.4759 11.6368 11.6368
k = 0.0000 0.4107-0.0000 ( 6479 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8456 -6.8456 -6.4048 -6.4048 -6.0834 -6.0834 -6.0341 -6.0341
1.2965 1.2965 1.6327 1.6327 1.8941 1.8941 2.1458 2.1458
2.8053 2.8053 2.8352 2.8352 2.8825 2.8825 2.8984 2.8984
3.2955 3.2955 3.3222 3.3222 3.7625 3.7625 3.8597 3.8597
3.9167 3.9167 4.2627 4.2627 4.2827 4.2827 4.3839 4.3839
4.4149 4.4149 4.5737 4.5737 4.6179 4.6179 4.6494 4.6494
5.0505 5.0505 5.0708 5.0708 5.1343 5.1343 5.2138 5.2138
5.5150 5.5150 6.0902 6.0902 6.1165 6.1165 8.1045 8.1045
8.6522 8.6522 8.8935 8.8935 9.0003 9.0003 9.1975 9.1975
10.5526 10.5526 11.6268 11.6268
k = 0.0000 0.4286-0.0000 ( 6467 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8305 -6.8305 -6.4212 -6.4212 -6.0835 -6.0835 -6.0341 -6.0341
1.3072 1.3072 1.6746 1.6746 1.9112 1.9112 2.1175 2.1175
2.7878 2.7878 2.8371 2.8371 2.8582 2.8582 2.8867 2.8867
3.2953 3.2953 3.3178 3.3178 3.7620 3.7620 3.8622 3.8622
3.9182 3.9182 4.2605 4.2605 4.2985 4.2985 4.3780 4.3780
4.4125 4.4125 4.5669 4.5669 4.6166 4.6166 4.6406 4.6406
5.0537 5.0537 5.0697 5.0697 5.1426 5.1426 5.2179 5.2179
5.4917 5.4917 6.0847 6.0847 6.1129 6.1129 8.1016 8.1016
8.6564 8.6564 8.9063 8.9063 9.0100 9.0100 9.2114 9.2114
10.6196 10.6196 11.6170 11.6170
k = 0.0000 0.4464-0.0000 ( 6460 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8176 -6.8176 -6.4351 -6.4351 -6.0836 -6.0836 -6.0341 -6.0341
1.3158 1.3158 1.7160 1.7160 1.9151 1.9151 2.0988 2.0988
2.7736 2.7736 2.8226 2.8226 2.8409 2.8409 2.8893 2.8893
3.2956 3.2956 3.3139 3.3139 3.7616 3.7616 3.8643 3.8643
3.9194 3.9194 4.2587 4.2587 4.3126 4.3126 4.3723 4.3723
4.4108 4.4108 4.5611 4.5611 4.6156 4.6156 4.6330 4.6330
5.0566 5.0566 5.0684 5.0684 5.1495 5.1495 5.2223 5.2223
5.4722 5.4722 6.0803 6.0803 6.1100 6.1100 8.0994 8.0994
8.6598 8.6598 8.9164 8.9164 9.0176 9.0176 9.2223 9.2223
10.6751 10.6751 11.6077 11.6077
k = 0.0000 0.4643-0.0000 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8077 -6.8077 -6.4458 -6.4458 -6.0836 -6.0836 -6.0341 -6.0341
1.3222 1.3222 1.7561 1.7561 1.9038 1.9038 2.0908 2.0908
2.7634 2.7634 2.7969 2.7969 2.8419 2.8419 2.8912 2.8912
3.2962 3.2962 3.3107 3.3107 3.7613 3.7613 3.8659 3.8659
3.9201 3.9201 4.2574 4.2574 4.3244 4.3244 4.3668 4.3668
4.4099 4.4099 4.5566 4.5566 4.6149 4.6149 4.6270 4.6270
5.0592 5.0592 5.0670 5.0670 5.1545 5.1545 5.2265 5.2265
5.4573 5.4573 6.0771 6.0771 6.1080 6.1080 8.0978 8.0978
8.6622 8.6622 8.9237 8.9237 9.0230 9.0230 9.2302 9.2302
10.7168 10.7168 11.5997 11.5997
k = 0.0000 0.4821-0.0000 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7117 -25.7117 -25.7105 -25.7105
-6.8015 -6.8015 -6.4526 -6.4526 -6.0837 -6.0837 -6.0342 -6.0342
1.3260 1.3260 1.7926 1.7926 1.8819 1.8819 2.0896 2.0896
2.7574 2.7574 2.7801 2.7801 2.8428 2.8428 2.8924 2.8924
3.2969 3.2969 3.3084 3.3084 3.7612 3.7612 3.8668 3.8668
3.9206 3.9206 4.2567 4.2567 4.3331 4.3331 4.3621 4.3621
4.4095 4.4095 4.5538 4.5538 4.6145 4.6145 4.6233 4.6233
5.0614 5.0614 5.0655 5.0655 5.1575 5.1575 5.2296 5.2296
5.4477 5.4477 6.0752 6.0752 6.1067 6.1067 8.0968 8.0968
8.6637 8.6637 8.9281 8.9281 9.0262 9.0262 9.2349 9.2349
10.7428 10.7428 11.5943 11.5943
k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7105 -25.7105
-6.7993 -6.7993 -6.4549 -6.4549 -6.0837 -6.0837 -6.0342 -6.0342
1.3273 1.3273 1.8127 1.8127 1.8660 1.8660 2.0899 2.0899
2.7555 2.7555 2.7742 2.7742 2.8431 2.8431 2.8928 2.8928
3.2972 3.2972 3.3075 3.3075 3.7611 3.7611 3.8671 3.8671
3.9207 3.9207 4.2564 4.2564 4.3366 4.3366 4.3598 4.3598
4.4093 4.4093 4.5528 4.5528 4.6144 4.6144 4.6219 4.6219
5.0627 5.0627 5.0644 5.0644 5.1585 5.1585 5.2307 5.2307
5.4445 5.4445 6.0746 6.0746 6.1063 6.1063 8.0965 8.0965
8.6642 8.6642 8.9296 8.9296 9.0273 9.0273 9.2365 9.2365
10.7516 10.7516 11.5924 11.5924
k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7105 -25.7105
-6.7993 -6.7993 -6.4549 -6.4549 -6.0837 -6.0837 -6.0342 -6.0342
1.3273 1.3273 1.8127 1.8127 1.8660 1.8660 2.0899 2.0899
2.7555 2.7555 2.7742 2.7742 2.8431 2.8431 2.8928 2.8928
3.2972 3.2972 3.3075 3.3075 3.7611 3.7611 3.8671 3.8671
3.9207 3.9207 4.2564 4.2564 4.3366 4.3366 4.3598 4.3598
4.4093 4.4093 4.5528 4.5528 4.6144 4.6144 4.6219 4.6219
5.0627 5.0627 5.0644 5.0644 5.1585 5.1585 5.2307 5.2307
5.4445 5.4445 6.0746 6.0746 6.1063 6.1063 8.0965 8.0965
8.6642 8.6642 8.9296 8.9296 9.0273 9.0273 9.2365 9.2365
10.7516 10.7516 11.5924 11.5924
k = 0.0179 0.5000-0.0000 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7105 -25.7105
-6.7988 -6.7988 -6.4557 -6.4535 -6.0854 -6.0828 -6.0346 -6.0345
1.3267 1.3295 1.8127 1.8127 1.8651 1.8665 2.0879 2.0922
2.7526 2.7579 2.7713 2.7774 2.8426 2.8434 2.8924 2.8929
3.2964 3.2970 3.3071 3.3074 3.7551 3.7641 3.8621 3.8669
3.9210 3.9238 4.2551 4.2567 4.3326 4.3393 4.3526 4.3659
4.4045 4.4190 4.5500 4.5540 4.6072 4.6189 4.6261 4.6268
5.0450 5.0633 5.0637 5.0746 5.1544 5.1656 5.2283 5.2367
5.4410 5.4499 6.0728 6.0741 6.1046 6.1059 8.0928 8.1038
8.6609 8.6710 8.9176 8.9405 9.0207 9.0307 9.2253 9.2505
10.7502 10.7562 11.5950 11.5952
k = 0.0357 0.5000-0.0000 ( 6466 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7105 -25.7105
-6.7972 -6.7972 -6.4559 -6.4516 -6.0879 -6.0826 -6.0358 -6.0357
1.3276 1.3332 1.8127 1.8128 1.8638 1.8665 2.0862 2.0947
2.7488 2.7601 2.7691 2.7805 2.8419 2.8434 2.8919 2.8928
3.2940 3.2959 3.3060 3.3072 3.7464 3.7641 3.8529 3.8618
3.9245 3.9295 4.2529 4.2560 4.3275 4.3393 4.3475 4.3689
4.4055 4.4318 4.5449 4.5556 4.6040 4.6169 4.6345 4.6415
5.0238 5.0606 5.0625 5.0769 5.1559 5.1723 5.2307 5.2460
5.4394 5.4571 6.0687 6.0714 6.1009 6.1033 8.0928 8.1148
8.6610 8.6812 8.9055 8.9492 9.0121 9.0304 9.2171 9.2671
10.7521 10.7640 11.6030 11.6033
k = 0.0536 0.5000-0.0000 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7106 -25.7106
-6.7947 -6.7945 -6.4556 -6.4492 -6.0911 -6.0834 -6.0378 -6.0377
1.3301 1.3384 1.8126 1.8127 1.8622 1.8662 2.0849 2.0976
2.7438 2.7623 2.7681 2.7832 2.8411 2.8431 2.8912 2.8924
3.2900 3.2941 3.3039 3.3070 3.7351 3.7611 3.8406 3.8528
3.9301 3.9367 4.2500 4.2542 4.3221 4.3348 4.3477 4.3694
4.4099 4.4458 4.5384 4.5591 4.6029 4.6154 4.6456 4.6598
5.0013 5.0536 5.0608 5.0733 5.1598 5.1765 5.2396 5.2583
5.4396 5.4662 6.0625 6.0665 6.0952 6.0987 8.0965 8.1294
8.6641 8.6948 8.8941 8.9531 9.0039 9.0266 9.2117 9.2858
10.7572 10.7749 11.6162 11.6166
k = 0.0714 0.5000-0.0000 ( 6462 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7106 -25.7106
-6.7910 -6.7909 -6.4547 -6.4462 -6.0951 -6.0849 -6.0405 -6.0405
1.3339 1.3451 1.8124 1.8127 1.8603 1.8655 2.0838 2.1008
2.7378 2.7646 2.7681 2.7855 2.8401 2.8425 2.8905 2.8919
3.2844 3.2913 3.3013 3.3069 3.7214 3.7555 3.8262 3.8408
3.9367 3.9447 4.2469 4.2515 4.3172 4.3298 4.3498 4.3694
4.4150 4.4597 4.5323 4.5650 4.6030 4.6146 4.6597 4.6803
4.9786 5.0411 5.0587 5.0694 5.1613 5.1779 5.2557 5.2731
5.4418 5.4771 6.0544 6.0597 6.0879 6.0922 8.1038 8.1475
8.6695 8.7114 8.8840 8.9493 8.9994 9.0199 9.2092 9.3060
10.7655 10.7888 11.6346 11.6346
k = 0.0893 0.5000-0.0000 ( 6462 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7106 -25.7106
-6.7864 -6.7862 -6.4533 -6.4427 -6.0998 -6.0874 -6.0441 -6.0438
1.3392 1.3531 1.8122 1.8126 1.8581 1.8645 2.0832 2.1044
2.7309 2.7667 2.7690 2.7875 2.8390 2.8415 2.8898 2.8913
3.2772 3.2872 3.2984 3.3067 3.7057 3.7474 3.8101 3.8262
3.9439 3.9531 4.2438 4.2482 4.3133 4.3258 4.3525 4.3694
4.4192 4.4714 4.5282 4.5722 4.6041 4.6154 4.6762 4.7024
4.9560 5.0249 5.0563 5.0660 5.1594 5.1767 5.2765 5.2894
5.4462 5.4897 6.0446 6.0512 6.0792 6.0841 8.1146 8.1689
8.6764 8.7304 8.8760 8.9379 8.9992 9.0111 9.2095 9.3273
10.7768 10.8056 11.6569 11.6578
k = 0.1071 0.5000-0.0000 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7106 -25.7106
-6.7808 -6.7805 -6.4514 -6.4387 -6.1052 -6.0908 -6.0485 -6.0478
1.3456 1.3623 1.8118 1.8125 1.8559 1.8632 2.0831 2.1085
2.7235 2.7686 2.7707 2.7895 2.8379 2.8402 2.8893 2.8908
3.2686 3.2814 3.2957 3.3064 3.6880 3.7373 3.7929 3.8094
3.9515 3.9616 4.2412 4.2444 4.3109 4.3230 4.3557 4.3697
4.4223 4.4788 4.5272 4.5784 4.6070 4.6194 4.6943 4.7257
4.9339 5.0069 5.0537 5.0626 5.1551 5.1735 5.2989 5.3061
5.4535 5.5036 6.0334 6.0413 6.0695 6.0749 8.1288 8.1935
8.6837 8.7509 8.8707 8.9223 9.0008 9.0013 9.2127 9.3490
10.7910 10.8251 11.6826 11.6854
k = 0.1250 0.5000-0.0000 ( 6450 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7106 -25.7106
-6.7742 -6.7739 -6.4489 -6.4342 -6.1113 -6.0952 -6.0536 -6.0522
1.3532 1.3725 1.8111 1.8122 1.8536 1.8617 2.0836 2.1132
2.7158 2.7697 2.7731 2.7918 2.8368 2.8385 2.8891 2.8903
3.2586 3.2738 3.2933 3.3059 3.6688 3.7254 3.7746 3.7906
3.9593 3.9700 4.2393 4.2407 4.3098 4.3212 4.3590 4.3701
4.4244 4.4812 4.5289 4.5811 4.6127 4.6280 4.7134 4.7500
4.9127 4.9884 5.0510 5.0588 5.1494 5.1684 5.3196 5.3224
5.4647 5.5189 6.0210 6.0300 6.0594 6.0651 8.1462 8.2211
8.6899 8.7717 8.8685 8.9051 8.9918 9.0031 9.2183 9.3707
10.8080 10.8470 11.7105 11.7169
k = 0.1429 0.5000-0.0000 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7107 -25.7107
-6.7667 -6.7663 -6.4460 -6.4293 -6.1181 -6.1006 -6.0594 -6.0572
1.3618 1.3837 1.8100 1.8118 1.8515 1.8600 2.0848 2.1186
2.7079 2.7698 2.7760 2.7946 2.8359 2.8366 2.8891 2.8899
3.2472 3.2645 3.2911 3.3054 3.6483 3.7119 3.7556 3.7701
3.9671 3.9781 4.2374 4.2382 4.3098 4.3204 4.3625 4.3706
4.4261 4.4801 4.5309 4.5803 4.6220 4.6403 4.7328 4.7747
4.8927 4.9700 5.0483 5.0545 5.1428 5.1618 5.3361 5.3374
5.4808 5.5351 6.0075 6.0175 6.0500 6.0557 8.1666 8.2513
8.6940 8.7903 8.8693 8.8889 8.9845 9.0065 9.2260 9.3921
10.8276 10.8712 11.7387 11.7512
k = 0.1607 0.5000-0.0000 ( 6460 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7107 -25.7107
-6.7582 -6.7578 -6.4425 -6.4239 -6.1256 -6.1071 -6.0658 -6.0625
1.3712 1.3955 1.8086 1.8111 1.8496 1.8582 2.0868 2.1248
2.7001 2.7689 2.7793 2.7980 2.8346 2.8351 2.8895 2.8897
3.2346 3.2536 3.2891 3.3046 3.6268 3.6971 3.7358 3.7481
3.9748 3.9860 4.2349 4.2379 4.3108 4.3205 4.3661 4.3713
4.4275 4.4775 4.5313 4.5773 4.6344 4.6539 4.7517 4.7990
4.8748 4.9526 5.0456 5.0498 5.1358 5.1540 5.3466 5.3504
5.5023 5.5520 5.9929 6.0034 6.0423 6.0478 8.1898 8.2839
8.6949 8.8026 8.8720 8.8772 8.9815 9.0121 9.2354 9.4127
10.8494 10.8973 11.7643 11.7866
k = 0.1786 0.5000-0.0000 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7108 -25.7108
-6.7489 -6.7485 -6.4385 -6.4180 -6.1339 -6.1145 -6.0728 -6.0682
1.3812 1.4078 1.8066 1.8103 1.8481 1.8562 2.0900 2.1319
2.6926 2.7669 2.7831 2.8020 2.8327 2.8348 2.8897 2.8901
3.2206 3.2411 3.2872 3.3038 3.6047 3.6812 3.7154 3.7250
3.9823 3.9933 4.2333 4.2385 4.3126 4.3214 4.3695 4.3722
4.4290 4.4744 4.5298 4.5729 4.6494 4.6672 4.7692 4.8205
4.8616 4.9369 5.0431 5.0448 5.1286 5.1451 5.3511 5.3604
5.5280 5.5692 5.9771 5.9878 6.0374 6.0427 8.2156 8.3185
8.6927 8.8028 8.8744 8.8745 8.9854 9.0216 9.2459 9.4323
10.8733 10.9250 11.7839 11.8196
k = 0.1964 0.5000-0.0000 ( 6478 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7108 -25.7108
-6.7388 -6.7383 -6.4341 -6.4118 -6.1427 -6.1229 -6.0804 -6.0743
1.3916 1.4203 1.8041 1.8093 1.8470 1.8542 2.0946 2.1403
2.6855 2.7641 2.7871 2.8063 2.8311 2.8351 2.8900 2.8909
3.2053 3.2272 3.2854 3.3029 3.5822 3.6644 3.6944 3.7010
3.9895 4.0001 4.2329 4.2398 4.3149 4.3232 4.3729 4.3733
4.4307 4.4714 4.5270 4.5679 4.6658 4.6787 4.7837 4.8290
4.8639 4.9243 5.0396 5.0408 5.1215 5.1355 5.3504 5.3670
5.5560 5.5864 5.9600 5.9707 6.0362 6.0415 8.2437 8.3547
8.6876 8.7920 8.8753 8.8787 8.9973 9.0364 9.2572 9.4507
10.8989 10.9541 11.7943 11.8439
k = 0.2143 0.5000-0.0000 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7108 -25.7108
-6.7279 -6.7274 -6.4292 -6.4052 -6.1523 -6.1322 -6.0884 -6.0806
1.4024 1.4328 1.8010 1.8079 1.8462 1.8521 2.1009 2.1501
2.6789 2.7608 2.7915 2.8106 2.8300 2.8361 2.8905 2.8919
3.1887 3.2119 3.2838 3.3019 3.5597 3.6467 3.6728 3.6763
3.9963 4.0064 4.2336 4.2419 4.3176 4.3258 4.3746 4.3760
4.4327 4.4687 4.5233 4.5623 4.6828 4.6868 4.7933 4.8241
4.8827 4.9167 5.0347 5.0388 5.1146 5.1254 5.3453 5.3696
5.5843 5.6030 5.9419 5.9526 6.0393 6.0450 8.2738 8.3919
8.6803 8.7765 8.8747 8.8842 9.0166 9.0566 9.2689 9.4676
10.9260 10.9843 11.7937 11.8521
k = 0.2321 0.5000-0.0000 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7109 -25.7109
-6.7163 -6.7157 -6.4240 -6.3983 -6.1624 -6.1424 -6.0967 -6.0872
1.4132 1.4451 1.7975 1.8062 1.8456 1.8500 2.1091 2.1614
2.6730 2.7570 2.7960 2.8146 2.8294 2.8382 2.8912 2.8932
3.1709 3.1951 3.2823 3.3008 3.5374 3.6284 3.6508 3.6512
4.0027 4.0120 4.2356 4.2446 4.3206 4.3290 4.3763 4.3788
4.4350 4.4664 4.5192 4.5565 4.6903 4.7000 4.7962 4.8202
4.9046 4.9153 5.0304 5.0370 5.1079 5.1153 5.3365 5.3679
5.6113 5.6187 5.9229 5.9338 6.0470 6.0536 8.3055 8.4294
8.6716 8.7602 8.8736 8.8882 9.0412 9.0814 9.2808 9.4828
10.9541 11.0150 11.7818 11.8420
k = 0.2500 0.5000-0.0000 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7120 -25.7120 -25.7109 -25.7109
-6.7040 -6.7034 -6.4184 -6.3912 -6.1731 -6.1533 -6.1055 -6.0941
1.4240 1.4569 1.7934 1.8040 1.8451 1.8477 2.1196 2.1744
2.6679 2.7529 2.8006 2.8182 2.8296 2.8412 2.8920 2.8944
3.1517 3.1768 3.2809 3.2996 3.5157 3.6095 3.6260 3.6283
4.0086 4.0171 4.2387 4.2480 4.3236 4.3326 4.3783 4.3811
4.4377 4.4646 4.5151 4.5506 4.6884 4.7165 4.7930 4.8210
4.9195 4.9258 5.0274 5.0354 5.1015 5.1054 5.3247 5.3618
5.6333 5.6358 5.9034 5.9146 6.0596 6.0672 8.3384 8.4662
8.6622 8.7453 8.8733 8.8905 9.0695 9.1093 9.2926 9.4962
10.9829 11.0459 11.7594 11.8166
k = 0.2679 0.5000-0.0000 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7120 -25.7120 -25.7109 -25.7109
-6.6912 -6.6905 -6.4124 -6.3838 -6.1843 -6.1648 -6.1144 -6.1013
1.4346 1.4681 1.7891 1.8015 1.8446 1.8454 2.1325 2.1894
2.6636 2.7486 2.8052 2.8214 2.8306 2.8452 2.8929 2.8957
3.1312 3.1570 3.2797 3.2985 3.4948 3.5899 3.6010 3.6056
4.0141 4.0215 4.2427 4.2519 4.3265 4.3364 4.3806 4.3829
4.4407 4.4632 4.5112 4.5446 4.6820 4.7311 4.7867 4.8265
4.9264 4.9454 5.0267 5.0337 5.0954 5.0967 5.3103 5.3516
5.6466 5.6571 5.8838 5.8953 6.0768 6.0851 8.3720 8.5008
8.6529 8.7336 8.8742 8.8918 9.0999 9.1390 9.3043 9.5076
11.0119 11.0766 11.7277 11.7796
k = 0.2857 0.5000-0.0000 ( 6446 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7121 -25.7120 -25.7110 -25.7109
-6.6778 -6.6772 -6.4062 -6.3763 -6.1960 -6.1769 -6.1236 -6.1088
1.4449 1.4785 1.7845 1.7984 1.8430 1.8438 2.1482 2.2062
2.6604 2.7442 2.8097 2.8242 2.8325 2.8498 2.8939 2.8969
3.1094 3.1359 3.2787 3.2972 3.4749 3.5690 3.5775 3.5829
4.0191 4.0255 4.2476 4.2562 4.3292 4.3402 4.3831 4.3842
4.4442 4.4627 4.5078 4.5387 4.6724 4.7393 4.7836 4.8355
4.9331 4.9625 5.0290 5.0315 5.0897 5.0899 5.2936 5.3377
5.6587 5.6751 5.8643 5.8762 6.0980 6.1067 8.4058 8.5311
8.6444 8.7270 8.8767 8.8926 9.1314 9.1691 9.3158 9.5169
11.0409 11.1065 11.6884 11.7342
k = 0.3036 0.5000-0.0000 ( 6458 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7121 -25.7121 -25.7110 -25.7110
-6.6641 -6.6634 -6.3998 -6.3688 -6.2079 -6.1894 -6.1328 -6.1165
1.4549 1.4881 1.7797 1.7949 1.8406 1.8426 2.1665 2.2250
2.6581 2.7397 2.8141 2.8269 2.8353 2.8547 2.8951 2.8982
3.0864 3.1133 3.2778 3.2960 3.4563 3.5461 3.5564 3.5602
4.0236 4.0289 4.2531 4.2611 4.3315 4.3437 4.3848 4.3858
4.4481 4.4628 4.5049 4.5331 4.6610 4.7361 4.7906 4.8467
4.9375 4.9766 5.0281 5.0351 5.0842 5.0863 5.2753 5.3207
5.6697 5.6897 5.8454 5.8576 6.1222 6.1308 8.4389 8.5546
8.6375 8.7278 8.8807 8.8934 9.1633 9.1988 9.3272 9.5239
11.0692 11.1353 11.6433 11.6828
k = 0.3214 0.5000-0.0000 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7122 -25.7121 -25.7110 -25.7110
-6.6501 -6.6494 -6.3932 -6.3613 -6.2200 -6.2021 -6.1421 -6.1244
1.4643 1.4967 1.7748 1.7909 1.8382 1.8412 2.1876 2.2457
2.6568 2.7352 2.8183 2.8296 2.8389 2.8597 2.8965 2.8993
3.0623 3.0896 3.2772 3.2948 3.4391 3.5224 3.5370 3.5380
4.0276 4.0320 4.2592 4.2663 4.3335 4.3466 4.3849 4.3885
4.4527 4.4640 4.5027 4.5279 4.6489 4.7250 4.8048 4.8593
4.9393 4.9874 5.0232 5.0444 5.0790 5.0863 5.2556 5.3013
5.6796 5.7014 5.8272 5.8398 6.1485 6.1565 8.4704 8.5695
8.6332 8.7370 8.8862 8.8947 9.1947 9.2274 9.3385 9.5286
11.0966 11.1622 11.5944 11.6280
k = 0.3393 0.5000-0.0000 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7122 -25.7122 -25.7110 -25.7110
-6.6359 -6.6352 -6.3867 -6.3542 -6.2321 -6.2148 -6.1512 -6.1324
1.4733 1.5043 1.7699 1.7864 1.8358 1.8394 2.2111 2.2680
2.6566 2.7306 2.8223 2.8322 2.8431 2.8644 2.8979 2.9003
3.0372 3.0646 3.2768 3.2936 3.4236 3.4992 3.5164 3.5185
4.0312 4.0346 4.2657 4.2719 4.3350 4.3487 4.3847 4.3909
4.4578 4.4662 4.5010 4.5232 4.6367 4.7110 4.8216 4.8727
4.9392 4.9945 5.0178 5.0557 5.0742 5.0894 5.2351 5.2800
5.6887 5.7104 5.8101 5.8231 6.1756 6.1827 8.4988 8.5765
8.6327 8.7527 8.8931 8.8972 9.2252 9.2543 9.3498 9.5308
11.1225 11.1868 11.5437 11.5719
k = 0.3571 0.5000-0.0000 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7122 -25.7122 -25.7111 -25.7111
-6.6218 -6.6211 -6.3803 -6.3476 -6.2438 -6.2273 -6.1601 -6.1406
1.4818 1.5109 1.7652 1.7817 1.8335 1.8375 2.2367 2.2915
2.6573 2.7259 2.8263 2.8348 2.8477 2.8687 2.8995 2.9012
3.0115 3.0388 3.2767 3.2924 3.4098 3.4772 3.4959 3.5007
4.0343 4.0370 4.2724 4.2778 4.3361 4.3496 4.3843 4.3930
4.4634 4.4694 4.4999 4.5191 4.6249 4.6961 4.8396 4.8864
4.9381 4.9964 5.0147 5.0660 5.0716 5.0940 5.2139 5.2577
5.6968 5.7172 5.7944 5.8077 6.2025 6.2084 8.5221 8.5782
8.6375 8.7710 8.9011 8.9015 9.2543 9.2791 9.3611 9.5305
11.1466 11.2086 11.4930 11.5164
k = 0.3750 0.5000-0.0000 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7123 -25.7122 -25.7111 -25.7111
-6.6078 -6.6072 -6.3741 -6.3420 -6.2546 -6.2392 -6.1686 -6.1488
1.4897 1.5166 1.7608 1.7766 1.8313 1.8353 2.2639 2.3158
2.6589 2.7211 2.8300 2.8371 2.8525 2.8725 2.9011 2.9018
2.9858 3.0125 3.2768 3.2913 3.3980 3.4567 3.4768 3.4838
4.0371 4.0390 4.2791 4.2840 4.3367 4.3493 4.3841 4.3944
4.4695 4.4735 4.4992 4.5157 4.6139 4.6809 4.8578 4.9000
4.9371 4.9927 5.0160 5.0637 5.0818 5.0985 5.1926 5.2352
5.7040 5.7219 5.7803 5.7939 6.2282 6.2329 8.5390 8.5774
8.6487 8.7874 8.9086 8.9101 9.2815 9.3017 9.3725 9.5278
11.1686 11.2270 11.4442 11.4632
k = 0.3929 0.5000-0.0000 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7123 -25.7123 -25.7111 -25.7111
-6.5944 -6.5938 -6.3685 -6.3378 -6.2640 -6.2502 -6.1766 -6.1570
1.4970 1.5212 1.7567 1.7715 1.8294 1.8331 2.2921 2.3402
2.6614 2.7161 2.8333 2.8391 2.8573 2.8757 2.9019 2.9027
2.9608 2.9861 3.2772 3.2902 3.3882 3.4380 3.4594 3.4680
4.0394 4.0408 4.2859 4.2902 4.3369 4.3477 4.3841 4.3953
4.4757 4.4782 4.4987 4.5132 4.6039 4.6659 4.8758 4.9130
4.9372 4.9874 5.0192 5.0593 5.0935 5.1012 5.1715 5.2135
5.7101 5.7248 5.7682 5.7820 6.2518 6.2555 8.5497 8.5755
8.6655 8.7992 8.9186 8.9197 9.3064 9.3221 9.3836 9.5225
11.1883 11.2417 11.3987 11.4140
k = 0.4107 0.5000-0.0000 ( 6448 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7123 -25.7123 -25.7111 -25.7111
-6.5817 -6.5812 -6.3637 -6.3360 -6.2712 -6.2598 -6.1838 -6.1651
1.5038 1.5247 1.7532 1.7665 1.8277 1.8310 2.3205 2.3638
2.6645 2.7110 2.8361 2.8406 2.8620 2.8782 2.9010 2.9042
2.9382 2.9605 3.2778 3.2891 3.3806 3.4214 3.4442 3.4534
4.0414 4.0423 4.2925 4.2966 4.3364 4.3450 4.3844 4.3954
4.4817 4.4834 4.4984 4.5117 4.5953 4.6512 4.8923 4.9241
4.9397 4.9837 5.0229 5.0546 5.1004 5.1037 5.1514 5.1940
5.7151 5.7259 5.7584 5.7722 6.2728 6.2755 8.5559 8.5735
8.6856 8.8053 8.9295 8.9306 9.3286 9.3406 9.3944 9.5149
11.2055 11.2525 11.3580 11.3699
k = 0.4286 0.5000-0.0000 ( 6442 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7123 -25.7123 -25.7111 -25.7111
-6.5702 -6.5698 -6.3598 -6.3367 -6.2756 -6.2675 -6.1898 -6.1728
1.5099 1.5272 1.7504 1.7617 1.8263 1.8291 2.3480 2.3854
2.6681 2.7058 2.8377 2.8412 2.8664 2.8800 2.8972 2.9053
2.9213 2.9366 3.2787 3.2881 3.3751 3.4071 3.4313 3.4404
4.0429 4.0435 4.2990 4.3028 4.3355 4.3415 4.3850 4.3948
4.4869 4.4887 4.4985 4.5112 4.5887 4.6370 4.9053 4.9315
4.9471 4.9841 5.0269 5.0499 5.0944 5.1096 5.1353 5.1785
5.7186 5.7255 5.7513 5.7647 6.2906 6.2926 8.5598 8.5718
8.7065 8.8064 8.9393 8.9427 9.3479 9.3572 9.4045 9.5050
11.2202 11.2594 11.3234 11.3322
k = 0.4464 0.5000-0.0000 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7111 -25.7111
-6.5604 -6.5601 -6.3570 -6.3397 -6.2776 -6.2731 -6.1943 -6.1800
1.5153 1.5287 1.7484 1.7573 1.8252 1.8274 2.3734 2.4035
2.6720 2.7004 2.8378 2.8407 2.8702 2.8811 2.8889 2.9053
2.9136 2.9166 3.2798 3.2870 3.3716 3.3952 3.4213 3.4293
4.0441 4.0445 4.3052 4.3089 4.3338 4.3374 4.3858 4.3938
4.4908 4.4933 4.4991 4.5117 4.5844 4.6236 4.9133 4.9339
4.9607 4.9901 5.0312 5.0448 5.0824 5.1018 5.1325 5.1676
5.7201 5.7240 5.7475 5.7592 6.3049 6.3062 8.5624 8.5703
8.7267 8.8034 8.9483 8.9530 9.3640 9.3717 9.4143 9.4932
11.2326 11.2623 11.2962 11.3017
k = 0.4643 0.5000-0.0000 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7111 -25.7111
-6.5528 -6.5526 -6.3551 -6.3439 -6.2782 -6.2764 -6.1968 -6.1864
1.5199 1.5290 1.7474 1.7536 1.8245 1.8260 2.3952 2.4165
2.6762 2.6951 2.8362 2.8389 2.8734 2.8814 2.8816 2.8963
2.9096 2.9112 3.2810 3.2859 3.3703 3.3857 3.4144 3.4203
4.0450 4.0452 4.3112 4.3145 4.3315 4.3328 4.3868 4.3924
4.4932 4.4955 4.5019 4.5121 4.5832 4.6113 4.9182 4.9324
4.9787 5.0003 5.0357 5.0393 5.0664 5.0859 5.1380 5.1604
5.7201 5.7221 5.7466 5.7553 6.3153 6.3160 8.5643 8.5692
8.7453 8.7971 8.9559 8.9604 9.3764 9.3827 9.4247 9.4798
11.2424 11.2610 11.2778 11.2795
k = 0.4821 0.5000-0.0000 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5480 -6.5478 -6.3533 -6.3479 -6.2784 -6.2779 -6.1972 -6.1917
1.5236 1.5283 1.7475 1.7506 1.8243 1.8250 2.4116 2.4227
2.6805 2.6900 2.8343 2.8362 2.8757 2.8794 2.8810 2.8853
2.9095 2.9103 3.2822 3.2847 3.3710 3.3787 3.4109 3.4140
4.0455 4.0456 4.3169 4.3196 4.3279 4.3284 4.3880 4.3909
4.4946 4.4958 4.5059 4.5115 4.5857 4.6004 4.9220 4.9292
4.9985 5.0117 5.0329 5.0363 5.0534 5.0703 5.1441 5.1549
5.7196 5.7205 5.7477 5.7522 6.3216 6.3220 8.5658 8.5681
8.7619 8.7879 8.9616 8.9643 9.3850 9.3887 9.4368 9.4654
11.2493 11.2558 11.2667 11.2689
k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7125 -25.7125 -25.7112 -25.7112
-6.5462 -6.5462 -6.3511 -6.3511 -6.2784 -6.2784 -6.1954 -6.1954
1.5264 1.5264 1.7485 1.7485 1.8244 1.8244 2.4210 2.4210
2.6851 2.6851 2.8342 2.8342 2.8787 2.8787 2.8801 2.8801
2.9098 2.9098 3.2834 3.2834 3.3738 3.3738 3.4107 3.4107
4.0456 4.0456 4.3220 4.3220 4.3248 4.3248 4.3893 4.3893
4.4954 4.4954 4.5093 4.5093 4.5916 4.5916 4.9255 4.9255
5.0161 5.0161 5.0269 5.0269 5.0578 5.0578 5.1496 5.1496
5.7196 5.7196 5.7496 5.7496 6.3239 6.3239 8.5670 8.5670
8.7760 8.7760 8.9645 8.9645 9.3893 9.3893 9.4507 9.4507
11.2522 11.2522 11.2647 11.2647
k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7125 -25.7125 -25.7112 -25.7112
-6.5462 -6.5462 -6.3511 -6.3511 -6.2784 -6.2784 -6.1954 -6.1954
1.5264 1.5264 1.7485 1.7485 1.8244 1.8244 2.4210 2.4210
2.6851 2.6851 2.8342 2.8342 2.8787 2.8787 2.8801 2.8801
2.9098 2.9098 3.2834 3.2834 3.3738 3.3738 3.4107 3.4107
4.0456 4.0456 4.3220 4.3220 4.3248 4.3248 4.3893 4.3893
4.4954 4.4954 4.5093 4.5093 4.5916 4.5916 4.9255 4.9255
5.0161 5.0161 5.0269 5.0269 5.0578 5.0578 5.1496 5.1496
5.7196 5.7196 5.7496 5.7496 6.3239 6.3239 8.5670 8.5670
8.7760 8.7760 8.9645 8.9645 9.3893 9.3893 9.4507 9.4507
11.2522 11.2522 11.2647 11.2647
k = 0.4875 0.4875-0.0000 ( 6460 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5479 -6.5478 -6.3532 -6.3480 -6.2783 -6.2781 -6.1972 -6.1917
1.5237 1.5282 1.7474 1.7506 1.8243 1.8250 2.4117 2.4227
2.6806 2.6899 2.8342 2.8364 2.8760 2.8790 2.8813 2.8850
2.9095 2.9103 3.2822 3.2847 3.3712 3.3784 3.4110 3.4139
4.0455 4.0456 4.3160 4.3229 4.3241 4.3299 4.3880 4.3909
4.4947 4.4958 4.5059 4.5116 4.5857 4.6004 4.9219 4.9292
4.9985 5.0124 5.0322 5.0364 5.0535 5.0702 5.1442 5.1549
5.7197 5.7204 5.7476 5.7522 6.3217 6.3220 8.5658 8.5681
8.7620 8.7878 8.9616 8.9643 9.3845 9.3892 9.4373 9.4650
11.2507 11.2514 11.2690 11.2695
k = 0.4750 0.4750-0.0000 ( 6460 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5528 -6.5526 -6.3543 -6.3440 -6.2777 -6.2774 -6.1970 -6.1863
1.5200 1.5290 1.7468 1.7533 1.8250 1.8263 2.3954 2.4164
2.6762 2.6951 2.8358 2.8404 2.8762 2.8778 2.8834 2.8947
2.9092 2.9111 3.2810 3.2859 3.3712 3.3838 3.4155 3.4197
4.0450 4.0452 4.3086 4.3222 4.3238 4.3353 4.3868 4.3924
4.4934 4.4959 4.5014 4.5124 4.5826 4.6115 4.9179 4.9326
4.9787 5.0023 5.0353 5.0377 5.0664 5.0858 5.1381 5.1604
5.7206 5.7220 5.7463 5.7551 6.3155 6.3163 8.5644 8.5690
8.7458 8.7969 8.9556 8.9609 9.3724 9.3862 9.4273 9.4781
11.2382 11.2471 11.2830 11.2918
k = 0.4625 0.4625-0.0000 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5605 -6.5605 -6.3542 -6.3395 -6.2766 -6.2764 -6.1949 -6.1796
1.5154 1.5288 1.7456 1.7556 1.8275 1.8292 2.3734 2.4029
2.6721 2.7007 2.8383 2.8450 2.8768 2.8780 2.8885 2.9056
2.9091 2.9143 3.2797 3.2871 3.3740 3.3891 3.4249 3.4278
4.0441 4.0445 4.3009 4.3211 4.3233 4.3399 4.3856 4.3936
4.4917 4.4957 4.4962 4.5120 4.5824 4.6247 4.9129 4.9330
4.9626 4.9933 5.0301 5.0421 5.0823 5.1020 5.1326 5.1677
5.7221 5.7237 5.7460 5.7584 6.3057 6.3068 8.5627 8.5699
8.7275 8.8033 8.9470 8.9545 9.3531 9.3812 9.4208 9.4887
11.2185 11.2340 11.3114 11.3278
k = 0.4500 0.4500-0.0000 ( 6450 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7123 -25.7123 -25.7111 -25.7111
-6.5712 -6.5710 -6.3530 -6.3345 -6.2750 -6.2749 -6.1909 -6.1718
1.5100 1.5276 1.7426 1.7560 1.8327 1.8350 2.3468 2.3832
2.6683 2.7065 2.8407 2.8484 2.8764 2.8804 2.8970 2.9098
2.9109 2.9272 3.2784 3.2885 3.3794 3.3943 3.4380 3.4388
4.0429 4.0436 4.2932 4.3199 4.3227 4.3435 4.3846 4.3942
4.4894 4.4913 4.4953 4.5106 4.5850 4.6395 4.9062 4.9233
4.9579 4.9871 5.0246 5.0456 5.0940 5.1105 5.1353 5.1787
5.7241 5.7253 5.7470 5.7621 6.2926 6.2941 8.5607 8.5707
8.7074 8.8071 8.9363 8.9453 9.3290 9.3747 9.4158 9.4965
11.1925 11.2131 11.3522 11.3757
k = 0.4375 0.4375-0.0000 ( 6450 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7123 -25.7123 -25.7111 -25.7111
-6.5843 -6.5838 -6.3507 -6.3290 -6.2730 -6.2724 -6.1856 -6.1633
1.5039 1.5254 1.7367 1.7531 1.8413 1.8447 2.3169 2.3588
2.6653 2.7125 2.8421 2.8498 2.8773 2.8841 2.9018 2.9115
2.9213 2.9455 3.2772 3.2901 3.3870 3.3999 3.4501 3.4561
4.0414 4.0424 4.2854 4.3183 4.3217 4.3461 4.3834 4.3939
4.4854 4.4882 4.4947 4.5085 4.5902 4.6554 4.8975 4.9060
4.9622 4.9843 5.0193 5.0485 5.0999 5.1051 5.1518 5.1944
5.7263 5.7264 5.7494 5.7660 6.2769 6.2789 8.5582 8.5714
8.6858 8.8081 8.9240 8.9338 9.3021 9.3668 9.4106 9.5013
11.1604 11.1849 11.4035 11.4341
k = 0.4250 0.4250-0.0000 ( 6430 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7122 -25.7122 -25.7111 -25.7111
-6.5995 -6.5986 -6.3475 -6.3233 -6.2703 -6.2693 -6.1791 -6.1544
1.4971 1.5223 1.7277 1.7465 1.8534 1.8586 2.2847 2.3310
2.6634 2.7188 2.8419 2.8494 2.8798 2.8894 2.9019 2.9134
2.9400 2.9658 3.2762 3.2919 3.3964 3.4061 3.4641 3.4760
4.0395 4.0410 4.2777 4.3166 4.3208 4.3479 4.3822 4.3923
4.4808 4.4862 4.4937 4.5061 4.5979 4.6724 4.8871 4.8872
4.9696 4.9847 5.0141 5.0510 5.0954 5.1006 5.1723 5.2139
5.7271 5.7290 5.7525 5.7698 6.2594 6.2619 8.5552 8.5719
8.6630 8.8065 8.9105 8.9204 9.2736 9.3576 9.4042 9.5028
11.1225 11.1499 11.4633 11.5012
k = 0.4125 0.4125-0.0000 ( 6442 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7122 -25.7122 -25.7111 -25.7111
-6.6165 -6.6152 -6.3434 -6.3172 -6.2670 -6.2654 -6.1719 -6.1453
1.4896 1.5180 1.7157 1.7364 1.8684 1.8758 2.2512 2.3011
2.6630 2.7255 2.8401 2.8475 2.8835 2.8959 2.9013 2.9165
2.9624 2.9873 3.2753 3.2941 3.4071 3.4132 3.4796 3.4975
4.0371 4.0394 4.2702 4.3147 4.3195 4.3489 4.3805 4.3890
4.4763 4.4848 4.4921 4.5039 4.6078 4.6898 4.8685 4.8755
4.9780 4.9875 5.0091 5.0531 5.0845 5.0976 5.1938 5.2357
5.7283 5.7319 5.7554 5.7729 6.2410 6.2441 8.5515 8.5723
8.6392 8.8024 8.8962 8.9058 9.2443 9.3469 9.3962 9.5012
11.0789 11.1085 11.5296 11.5751
k = 0.4000 0.4000-0.0000 ( 6466 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7122 -25.7122 -25.7111 -25.7111
-6.6349 -6.6333 -6.3385 -6.3109 -6.2628 -6.2608 -6.1641 -6.1362
1.4812 1.5126 1.7010 1.7233 1.8854 1.8955 2.2171 2.2701
2.6646 2.7326 2.8371 2.8449 2.8873 2.8977 2.9066 2.9216
2.9870 3.0097 3.2746 3.2966 3.4187 3.4209 3.4965 3.5203
4.0344 4.0375 4.2627 4.3128 4.3183 4.3492 4.3783 4.3842
4.4721 4.4841 4.4895 4.5025 4.6195 4.7076 4.8503 4.8632
4.9870 4.9915 5.0049 5.0541 5.0738 5.0920 5.2155 5.2584
5.7304 5.7351 5.7570 5.7748 6.2228 6.2265 8.5471 8.5723
8.6147 8.7961 8.8815 8.8903 9.2147 9.3347 9.3861 9.4965
11.0300 11.0611 11.5997 11.6533
k = 0.3875 0.3875-0.0000 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7122 -25.7122 -25.7111 -25.7111
-6.6545 -6.6525 -6.3329 -6.3042 -6.2579 -6.2555 -6.1562 -6.1272
1.4719 1.5059 1.6839 1.7075 1.9033 1.9163 2.1838 2.2396
2.6686 2.7404 2.8333 2.8421 2.8902 2.8960 2.9166 2.9292
3.0132 3.0327 3.2744 3.2995 3.4293 3.4309 3.5147 3.5440
4.0313 4.0355 4.2556 4.3110 4.3172 4.3491 4.3755 4.3779
4.4684 4.4844 4.4864 4.5021 4.6329 4.7253 4.8331 4.8508
4.9931 4.9959 5.0047 5.0506 5.0676 5.0847 5.2372 5.2813
5.7335 5.7384 5.7569 5.7753 6.2060 6.2104 8.5417 8.5717
8.5902 8.7879 8.8665 8.8746 9.1852 9.3209 9.3740 9.4888
10.9759 11.0081 11.6707 11.7329
k = 0.3750 0.3750-0.0000 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7121 -25.7121 -25.7111 -25.7111
-6.6750 -6.6728 -6.3267 -6.2973 -6.2523 -6.2496 -6.1481 -6.1185
1.4616 1.4977 1.6648 1.6895 1.9206 1.9367 2.1529 2.2111
2.6752 2.7489 2.8291 2.8395 2.8919 2.8939 2.9280 2.9393
3.0405 3.0560 3.2744 3.3028 3.4382 3.4434 3.5336 3.5679
4.0279 4.0332 4.2486 4.3092 4.3162 4.3485 4.3703 4.3717
4.4651 4.4832 4.4855 4.5025 4.6476 4.7426 4.8171 4.8384
4.9896 5.0040 5.0105 5.0404 5.0686 5.0762 5.2586 5.3036
5.7361 5.7403 5.7560 5.7752 6.1918 6.1967 8.5355 8.5621
8.5739 8.7780 8.8517 8.8588 9.1562 9.3054 9.3594 9.4781
10.9170 10.9499 11.7389 11.8100
k = 0.3625 0.3625-0.0000 ( 6450 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7121 -25.7121 -25.7110 -25.7110
-6.6962 -6.6939 -6.3199 -6.2900 -6.2459 -6.2431 -6.1402 -6.1102
1.4503 1.4881 1.6437 1.6693 1.9351 1.9534 2.1274 2.1868
2.6846 2.7579 2.8247 2.8377 2.8916 2.8925 2.9409 2.9518
3.0686 3.0797 3.2750 3.3066 3.4476 3.4561 3.5532 3.5920
4.0241 4.0308 4.2421 4.3075 4.3154 4.3475 4.3618 4.3667
4.4624 4.4803 4.4875 4.5037 4.6632 4.7578 4.8038 4.8263
4.9846 5.0102 5.0186 5.0284 5.0671 5.0731 5.2798 5.3252
5.7331 5.7379 5.7593 5.7774 6.1809 6.1864 8.5283 8.5380
8.5718 8.7666 8.8372 8.8435 9.1278 9.2882 9.3426 9.4646
10.8538 10.8872 11.7998 11.8772
k = 0.3500 0.3500-0.0000 ( 6446 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7120 -25.7120 -25.7110 -25.7110
-6.7179 -6.7155 -6.3125 -6.2825 -6.2389 -6.2360 -6.1325 -6.1023
1.4377 1.4767 1.6210 1.6472 1.9438 1.9610 2.1128 2.1700
2.6971 2.7668 2.8203 2.8372 2.8894 2.8924 2.9548 2.9661
3.0974 3.1036 3.2760 3.3110 3.4571 3.4688 3.5730 3.6157
4.0200 4.0281 4.2359 4.3056 4.3147 4.3451 4.3537 4.3603
4.4603 4.4783 4.4903 4.5054 4.6793 4.7655 4.7983 4.8145
4.9788 5.0083 5.0220 5.0273 5.0577 5.0792 5.3009 5.3459
5.7218 5.7286 5.7692 5.7845 6.1740 6.1798 8.5131 8.5201
8.5701 8.7535 8.8237 8.8289 9.1000 9.2692 9.3232 9.4484
10.7867 10.8203 11.8466 11.9076
k = 0.3375 0.3375-0.0000 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7119 -25.7119 -25.7110 -25.7109
-6.7400 -6.7376 -6.3047 -6.2747 -6.2313 -6.2284 -6.1250 -6.0950
1.4240 1.4636 1.5967 1.6234 1.9433 1.9544 2.1143 2.1638
2.7127 2.7748 2.8159 2.8388 2.8877 2.8918 2.9697 2.9819
3.1265 3.1277 3.2777 3.3159 3.4669 3.4814 3.5928 3.6388
4.0156 4.0252 4.2304 4.3031 4.3140 4.3386 4.3496 4.3526
4.4589 4.4773 4.4937 4.5076 4.6955 4.7595 4.8033 4.8069
4.9723 4.9961 5.0241 5.0362 5.0485 5.0864 5.3221 5.3659
5.7047 5.7129 5.7838 5.7962 6.1711 6.1772 8.4885 8.5111
8.5679 8.7385 8.8115 8.8151 9.0729 9.2483 9.3014 9.4294
10.7160 10.7497 11.8752 11.9172
k = 0.3250 0.3250-0.0000 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3628 -34.3628 -25.7119 -25.7119 -25.7109 -25.7109
-6.7623 -6.7599 -6.2965 -6.2667 -6.2231 -6.2203 -6.1179 -6.0882
1.4089 1.4488 1.5711 1.5981 1.9323 1.9349 2.1302 2.1697
2.7311 2.7807 2.8116 2.8430 2.8871 2.8909 2.9857 2.9990
3.1519 3.1558 3.2800 3.3216 3.4767 3.4938 3.6123 3.6610
4.0110 4.0220 4.2254 4.2988 4.3129 4.3305 4.3441 4.3486
4.4581 4.4777 4.4980 4.5103 4.7113 4.7478 4.7928 4.8213
4.9651 4.9820 5.0265 5.0399 5.0447 5.0939 5.3437 5.3854
5.6830 5.6923 5.8019 5.8115 6.1719 6.1780 8.4643 8.5013
8.5651 8.7217 8.8009 8.8023 9.0464 9.2256 9.2772 9.4080
10.6423 10.6758 11.8918 11.9241
k = 0.3125 0.3125-0.0000 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7109 -25.7109
-6.7847 -6.7824 -6.2878 -6.2585 -6.2145 -6.2118 -6.1112 -6.0819
1.3927 1.4322 1.5444 1.5714 1.9082 1.9127 2.1550 2.1857
2.7520 2.7840 2.8075 2.8487 2.8894 2.8901 3.0024 3.0171
3.1760 3.1848 3.2832 3.3284 3.4865 3.5060 3.6313 3.6822
4.0061 4.0184 4.2213 4.2912 4.3104 4.3246 4.3359 4.3487
4.4579 4.4793 4.5029 4.5134 4.7261 4.7352 4.7837 4.8365
4.9567 4.9677 5.0283 5.0324 5.0525 5.1009 5.3664 5.4051
5.6579 5.6682 5.8230 5.8297 6.1759 6.1819 8.4409 8.4908
8.5615 8.7033 8.7904 8.7918 9.0203 9.2013 9.2508 9.3840
10.5658 10.5992 11.9032 11.9300
k = 0.3000 0.3000-0.0000 ( 6466 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7109 -25.7109
-6.8070 -6.8048 -6.2788 -6.2501 -6.2054 -6.2030 -6.1048 -6.0763
1.3753 1.4141 1.5167 1.5436 1.8784 1.8874 2.1845 2.2087
2.7747 2.7850 2.8035 2.8529 2.8898 2.8971 3.0201 3.0362
3.1997 3.2131 3.2875 3.3367 3.4961 3.5178 3.6496 3.7020
4.0011 4.0145 4.2180 4.2796 4.3041 4.3219 4.3304 4.3497
4.4583 4.4822 4.5085 4.5169 4.7228 4.7379 4.7776 4.8511
4.9472 4.9538 5.0263 5.0293 5.0593 5.1070 5.3907 5.4255
5.6303 5.6415 5.8467 5.8504 6.1824 6.1881 8.4182 8.4798
8.5573 8.6837 8.7793 8.7839 8.9945 9.1753 9.2224 9.3577
10.4868 10.5200 11.9123 11.9353
k = 0.2875 0.2875-0.0000 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7117 -25.7117 -25.7109 -25.7109
-6.8293 -6.8272 -6.2696 -6.2416 -6.1960 -6.1938 -6.0988 -6.0711
1.3568 1.3946 1.4882 1.5148 1.8473 1.8589 2.2166 2.2363
2.7845 2.7972 2.8003 2.8536 2.8914 2.9114 3.0384 3.0562
3.2225 3.2397 3.2938 3.3472 3.5057 3.5294 3.6669 3.7202
3.9959 4.0102 4.2156 4.2653 4.2936 4.3215 4.3288 4.3517
4.4592 4.4863 4.5148 4.5209 4.7108 4.7427 4.7783 4.8644
4.9367 4.9410 5.0217 5.0298 5.0648 5.1117 5.4169 5.4474
5.6011 5.6133 5.8725 5.8731 6.1906 6.1959 8.3964 8.4684
8.5523 8.6634 8.7689 8.7767 8.9688 9.1480 9.1921 9.3292
10.4058 10.4386 11.9198 11.9400
k = 0.2750 0.2750-0.0000 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7116 -25.7116 -25.7109 -25.7109
-6.8512 -6.8493 -6.2601 -6.2331 -6.1864 -6.1844 -6.0933 -6.0665
1.3374 1.3738 1.4591 1.4852 1.8160 1.8288 2.2503 2.2667
2.7831 2.7960 2.8186 2.8517 2.8971 2.9304 3.0574 3.0768
3.2433 3.2637 3.3030 3.3609 3.5151 3.5406 3.6832 3.7368
3.9906 4.0054 4.2140 4.2492 4.2807 4.3226 4.3296 4.3550
4.4608 4.4915 4.5217 4.5253 4.6993 4.7397 4.7867 4.8747
4.9255 4.9309 5.0185 5.0298 5.0689 5.1151 5.4453 5.4711
5.5710 5.5844 5.8975 5.8998 6.2000 6.2048 8.3756 8.4567
8.5468 8.6430 8.7589 8.7699 8.9433 9.1195 9.1602 9.2987
10.3228 10.3552 11.9261 11.9443
k = 0.2625 0.2625-0.0000 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7115 -25.7115 -25.7108 -25.7108
-6.8728 -6.8710 -6.2505 -6.2245 -6.1765 -6.1748 -6.0881 -6.0625
1.3172 1.3520 1.4296 1.4550 1.7851 1.7981 2.2847 2.2987
2.7812 2.7927 2.8329 2.8483 2.9107 2.9525 3.0770 3.0980
3.2604 3.2838 3.3167 3.3789 3.5244 3.5515 3.6983 3.7516
3.9852 4.0000 4.2123 4.2318 4.2675 4.3246 4.3318 4.3596
4.4628 4.4976 4.5292 4.5303 4.6884 4.7332 4.7978 4.8786
4.9140 4.9270 5.0168 5.0293 5.0715 5.1171 5.4754 5.4965
5.5413 5.5558 5.9230 5.9283 6.2099 6.2143 8.3560 8.4447
8.5408 8.6227 8.7490 8.7631 8.9178 9.0901 9.1272 9.2663
10.2381 10.2700 11.9311 11.9480
k = 0.2500 0.2500-0.0000 ( 6458 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7114 -25.7114 -25.7108 -25.7108
-6.8940 -6.8924 -6.2407 -6.2159 -6.1664 -6.1650 -6.0832 -6.0589
1.2965 1.3294 1.3998 1.4245 1.7546 1.7673 2.3195 2.3318
2.7791 2.7895 2.8393 2.8442 2.9334 2.9765 3.0970 3.1196
3.2733 3.2997 3.3356 3.4014 3.5335 3.5621 3.7121 3.7645
3.9797 3.9942 4.2084 4.2135 4.2570 4.3273 4.3349 4.3659
4.4653 4.5044 4.5357 4.5372 4.6782 4.7258 4.8085 4.8740
4.9033 4.9315 5.0163 5.0283 5.0728 5.1183 5.5017 5.5051
5.5312 5.5337 5.9494 5.9573 6.2200 6.2238 8.3374 8.4325
8.5344 8.6030 8.7388 8.7558 8.8922 9.0601 9.0933 9.2323
10.1518 10.1832 11.9345 11.9514
k = 0.2375 0.2375-0.0000 ( 6478 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7114 -25.7114 -25.7108 -25.7108
-6.9146 -6.9132 -6.2309 -6.2075 -6.1564 -6.1552 -6.0787 -6.0558
1.2753 1.3063 1.3700 1.3938 1.7249 1.7369 2.3543 2.3652
2.7769 2.7865 2.8396 2.8401 2.9620 3.0016 3.1173 3.1413
3.2830 3.3121 3.3584 3.4273 3.5424 3.5723 3.7245 3.7755
3.9740 3.9878 4.1944 4.1994 4.2521 4.3304 4.3387 4.3737
4.4682 4.5115 4.5418 4.5455 4.6687 4.7185 4.8169 4.8642
4.8946 4.9411 5.0167 5.0266 5.0728 5.1188 5.4773 5.4895
5.5529 5.5607 5.9763 5.9865 6.2299 6.2331 8.3202 8.4201
8.5277 8.5840 8.7279 8.7478 8.8665 9.0300 9.0590 9.1969
10.0641 10.0950 11.9360 11.9543
k = 0.2250 0.2250-0.0000 ( 6470 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7113 -25.7113 -25.7108 -25.7108
-6.9347 -6.9334 -6.2212 -6.1992 -6.1463 -6.1454 -6.0745 -6.0531
1.2540 1.2830 1.3403 1.3632 1.6960 1.7070 2.3889 2.3987
2.7747 2.7836 2.8347 2.8382 2.9936 3.0274 3.1379 3.1632
3.2912 3.3221 3.3837 3.4555 3.5513 3.5823 3.7355 3.7847
3.9681 3.9809 4.1747 4.1849 4.2538 4.3340 4.3433 4.3832
4.4716 4.5186 4.5488 4.5541 4.6600 4.7114 4.8208 4.8525
4.8901 4.9526 5.0180 5.0242 5.0721 5.1192 5.4480 5.4626
5.5900 5.5952 6.0032 6.0155 6.2393 6.2418 8.3042 8.4077
8.5208 8.5661 8.7160 8.7389 8.8409 8.9999 9.0245 9.1605
9.9751 10.0055 11.9351 11.9569
k = 0.2125 0.2125-0.0000 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7112 -25.7112 -25.7107 -25.7107
-6.9540 -6.9530 -6.2115 -6.1911 -6.1362 -6.1356 -6.0706 -6.0508
1.2327 1.2596 1.3109 1.3328 1.6681 1.6779 2.4230 2.4318
2.7725 2.7809 2.8296 2.8347 3.0263 3.0534 3.1586 3.1850
3.2989 3.3305 3.4104 3.4848 3.5602 3.5920 3.7452 3.7921
3.9621 3.9735 4.1544 4.1669 4.2600 4.3380 4.3486 4.3943
4.4755 4.5251 4.5569 4.5628 4.6523 4.7048 4.8187 4.8403
4.8915 4.9649 5.0200 5.0212 5.0708 5.1199 5.4193 5.4350
5.6308 5.6327 6.0298 6.0440 6.2480 6.2499 8.2897 8.3952
8.5138 8.5493 8.7028 8.7288 8.8153 8.9703 8.9904 9.1232
9.8850 9.9149 11.9319 11.9589
k = 0.2000 0.2000-0.0000 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7112 -25.7112 -25.7107 -25.7107
-6.9727 -6.9717 -6.2020 -6.1833 -6.1263 -6.1260 -6.0669 -6.0489
1.2116 1.2365 1.2821 1.3029 1.6411 1.6498 2.4564 2.4643
2.7704 2.7783 2.8244 2.8305 3.0590 3.0793 3.1793 3.2064
3.3065 3.3379 3.4377 3.5144 3.5691 3.6016 3.7536 3.7979
3.9557 3.9656 4.1338 4.1470 4.2691 4.3424 4.3546 4.4069
4.4797 4.5306 4.5662 4.5715 4.6455 4.6987 4.8115 4.8280
4.8980 4.9772 5.0175 5.0224 5.0696 5.1212 5.3916 5.4081
5.6729 5.6739 6.0560 6.0715 6.2558 6.2571 8.2768 8.3829
8.5068 8.5335 8.6880 8.7175 8.7901 8.9414 8.9568 9.0856
9.7940 9.8233 11.9273 11.9601
k = 0.1875 0.1875-0.0000 ( 6460 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7111 -25.7111 -25.7107 -25.7107
-6.9905 -6.9897 -6.1927 -6.1758 -6.1166 -6.1165 -6.0634 -6.0472
1.1909 1.2138 1.2539 1.2736 1.6153 1.6228 2.4888 2.4960
2.7685 2.7759 2.8192 2.8259 3.0909 3.1047 3.2000 3.2274
3.3143 3.3447 3.4654 3.5437 3.5783 3.6111 3.7607 3.8022
3.9490 3.9573 4.1128 4.1260 4.2800 4.3471 4.3614 4.4207
4.4844 4.5349 4.5766 4.5802 4.6401 4.6932 4.8012 4.8161
4.9075 4.9895 5.0133 5.0252 5.0688 5.1232 5.3651 5.3820
5.7154 5.7190 6.0813 6.0979 6.2626 6.2633 8.2656 8.3708
8.4997 8.5190 8.6716 8.7047 8.7656 8.9134 8.9241 9.0478
9.7022 9.7309 11.9220 11.9595
k = 0.1750 0.1750-0.0000 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7110 -25.7110 -25.7107 -25.7107
-7.0075 -7.0068 -6.1837 -6.1687 -6.1073 -6.1072 -6.0600 -6.0458
1.1708 1.1917 1.2267 1.2452 1.5906 1.5969 2.5200 2.5265
2.7666 2.7737 2.8141 2.8209 3.1215 3.1293 3.2203 3.2476
3.3226 3.3511 3.4931 3.5722 3.5877 3.6206 3.7668 3.8051
3.9420 3.9487 4.0915 4.1043 4.2922 4.3521 4.3690 4.4353
4.4895 4.5377 4.5877 4.5885 4.6360 4.6884 4.7896 4.8044
4.9184 5.0007 5.0095 5.0281 5.0688 5.1259 5.3398 5.3570
5.7600 5.7657 6.1056 6.1229 6.2684 6.2686 8.2563 8.3594
8.4927 8.5054 8.6536 8.6902 8.7424 8.8864 8.8924 9.0104
9.6099 9.6380 11.9169 11.9565
k = 0.1625 0.1625-0.0000 ( 6465 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7109 -25.7109 -25.7106 -25.7106
-7.0235 -7.0229 -6.1751 -6.1620 -6.0983 -6.0981 -6.0569 -6.0446
1.1514 1.1704 1.2004 1.2177 1.5671 1.5723 2.5499 2.5558
2.7649 2.7716 2.8092 2.8160 3.1502 3.1529 3.2404 3.2670
3.3314 3.3571 3.5205 3.5977 3.5996 3.6303 3.7719 3.8070
3.9345 3.9399 4.0700 4.0823 4.3051 4.3573 4.3777 4.4505
4.4949 4.5392 4.5964 4.5992 4.6336 4.6844 4.7773 4.7933
4.9298 5.0019 5.0153 5.0312 5.0701 5.1295 5.3159 5.3332
5.8064 5.8136 6.1287 6.1463 6.2728 6.2732 8.2490 8.3488
8.4859 8.4927 8.6343 8.6735 8.7216 8.8604 8.8620 8.9736
9.5175 9.5448 11.9126 11.9516
k = 0.1500 0.1500-0.0000 ( 6461 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7109 -25.7109 -25.7106 -25.7106
-7.0385 -7.0381 -6.1670 -6.1558 -6.0898 -6.0894 -6.0539 -6.0435
1.1330 1.1502 1.1755 1.1915 1.5449 1.5492 2.5781 2.5834
2.7633 2.7696 2.8044 2.8111 3.1752 3.1766 3.2600 3.2854
3.3407 3.3628 3.5472 3.6083 3.6254 3.6403 3.7762 3.8078
3.9266 3.9309 4.0485 4.0602 4.3183 4.3626 4.3874 4.4658
4.5007 4.5394 4.6039 4.6105 4.6329 4.6811 4.7650 4.7825
4.9407 4.9973 5.0266 5.0349 5.0729 5.1339 5.2935 5.3107
5.8540 5.8624 6.1503 6.1678 6.2760 6.2770 8.2439 8.3394
8.4792 8.4807 8.6138 8.6545 8.7036 8.8328 8.8354 8.9379
9.4253 9.4517 11.9095 11.9469
k = 0.1375 0.1375-0.0000 ( 6471 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7108 -25.7108 -25.7106 -25.7106
-7.0526 -7.0522 -6.1594 -6.1500 -6.0816 -6.0812 -6.0510 -6.0425
1.1155 1.1310 1.1519 1.1667 1.5241 1.5275 2.6046 2.6093
2.7620 2.7678 2.7999 2.8063 3.1961 3.2003 3.2791 3.3029
3.3503 3.3683 3.5729 3.6198 3.6469 3.6534 3.7797 3.8079
3.9182 3.9218 4.0270 4.0379 4.3313 4.3681 4.3983 4.4804
4.5068 4.5384 4.6108 4.6203 4.6348 4.6787 4.7529 4.7722
4.9503 4.9922 5.0379 5.0396 5.0770 5.1388 5.2727 5.2895
5.9024 5.9117 6.1704 6.1873 6.2783 6.2798 8.2413 8.3316
8.4692 8.4727 8.5926 8.6338 8.6887 8.8051 8.8112 8.9036
9.3339 9.3591 11.9078 11.9435
k = 0.1250 0.1250-0.0000 ( 6495 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7108 -25.7108 -25.7106 -25.7106
-7.0655 -7.0653 -6.1524 -6.1448 -6.0740 -6.0735 -6.0483 -6.0416
1.0993 1.1131 1.1299 1.1433 1.5048 1.5074 2.6290 2.6331
2.7608 2.7662 2.7957 2.8018 3.2153 3.2211 3.2974 3.3194
3.3601 3.3735 3.5974 3.6324 3.6591 3.6743 3.7827 3.8073
3.9093 3.9127 4.0054 4.0158 4.3438 4.3735 4.4102 4.4938
4.5132 4.5366 4.6172 4.6269 4.6406 4.6771 4.7411 4.7623
4.9579 4.9873 5.0461 5.0487 5.0824 5.1444 5.2536 5.2700
5.9510 5.9607 6.1887 6.2047 6.2798 6.2817 8.2415 8.3258
8.4583 8.4665 8.5710 8.6125 8.6762 8.7788 8.7876 8.8711
9.2438 9.2676 11.9075 11.9419
k = 0.1125 0.1125-0.0000 ( 6481 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7106 -25.7106
-7.0774 -7.0772 -6.1460 -6.1401 -6.0669 -6.0663 -6.0457 -6.0407
1.0843 1.0965 1.1095 1.1217 1.4870 1.4889 2.6513 2.6549
2.7601 2.7651 2.7920 2.7976 3.2326 3.2390 3.3150 3.3351
3.3698 3.3787 3.6203 3.6464 3.6701 3.6952 3.7853 3.8062
3.9001 3.9037 3.9840 3.9940 4.3555 4.3789 4.4231 4.5054
4.5202 4.5344 4.6231 4.6307 4.6493 4.6763 4.7299 4.7529
4.9631 4.9827 5.0544 5.0588 5.0891 5.1503 5.2365 5.2521
5.9994 6.0091 6.2051 6.2199 6.2807 6.2831 8.2447 8.3223
8.4478 8.4608 8.5497 8.5915 8.6659 8.7541 8.7646 8.8407
9.1556 9.1776 11.9083 11.9420
k = 0.1000 0.1000-0.0000 ( 6479 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7106 -25.7106
-7.0881 -7.0879 -6.1403 -6.1359 -6.0604 -6.0598 -6.0434 -6.0398
1.0708 1.0814 1.0910 1.1019 1.4708 1.4722 2.6711 2.6742
2.7598 2.7643 2.7886 2.7937 3.2481 3.2539 3.3316 3.3500
3.3788 3.3836 3.6412 3.6620 3.6814 3.7145 3.7876 3.8047
3.8904 3.8947 3.9628 3.9724 4.3663 4.3842 4.4367 4.5146
4.5273 4.5319 4.6285 4.6337 4.6584 4.6764 4.7195 4.7439
4.9660 4.9784 5.0638 5.0679 5.0971 5.1565 5.2214 5.2361
6.0466 6.0559 6.2197 6.2327 6.2811 6.2840 8.2511 8.3214
8.4379 8.4555 8.5290 8.5715 8.6573 8.7314 8.7419 8.8126
9.0704 9.0900 11.9093 11.9430
k = 0.0875 0.0875-0.0000 ( 6485 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.0976 -7.0975 -6.1354 -6.1323 -6.0545 -6.0539 -6.0412 -6.0389
1.0586 1.0678 1.0745 1.0840 1.4563 1.4573 2.6881 2.6907
2.7602 2.7641 2.7857 2.7903 3.2615 3.2663 3.3471 3.3638
3.3870 3.3883 3.6603 3.6789 3.6931 3.7320 3.7896 3.8029
3.8804 3.8859 3.9417 3.9514 4.3761 4.3892 4.4506 4.5215
4.5295 4.5340 4.6335 4.6366 4.6667 4.6771 4.7100 4.7352
4.9670 4.9745 5.0730 5.0757 5.1068 5.1627 5.2085 5.2221
6.0917 6.1004 6.2322 6.2432 6.2813 6.2846 8.2610 8.3234
8.4289 8.4507 8.5094 8.5528 8.6501 8.7109 8.7196 8.7869
8.9889 9.0054 11.9088 11.9315
k = 0.0750 0.0750-0.0000 ( 6495 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1059 -7.1058 -6.1311 -6.1291 -6.0493 -6.0487 -6.0393 -6.0379
1.0481 1.0559 1.0600 1.0681 1.4436 1.4442 2.7021 2.7042
2.7615 2.7647 2.7832 2.7872 3.2728 3.2763 3.3613 3.3763
3.3928 3.3941 3.6782 3.6963 3.7052 3.7477 3.7915 3.8009
3.8702 3.8773 3.9210 3.9309 4.3849 4.3940 4.4644 4.5268
4.5275 4.5394 4.6380 4.6395 4.6740 4.6784 4.7019 4.7270
4.9668 4.9711 5.0807 5.0821 5.1181 5.1687 5.1980 5.2103
6.1339 6.1415 6.2425 6.2513 6.2816 6.2854 8.2744 8.3282
8.4215 8.4463 8.4918 8.5357 8.6438 8.6932 8.6973 8.7638
8.9125 8.9250 11.9044 11.9179
k = 0.0625 0.0625-0.0000 ( 6495 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1130 -7.1129 -6.1276 -6.1264 -6.0448 -6.0443 -6.0377 -6.0370
1.0391 1.0455 1.0477 1.0545 1.4327 1.4331 2.7129 2.7143
2.7639 2.7664 2.7812 2.7846 3.2821 3.2844 3.3741 3.3872
3.3970 3.3999 3.6958 3.7135 3.7177 3.7617 3.7933 3.7986
3.8598 3.8690 3.9008 3.9111 4.3926 4.3983 4.4779 4.5262
4.5305 4.5431 4.6418 4.6421 4.6800 4.6802 4.6954 4.7192
4.9659 4.9682 5.0863 5.0870 5.1306 5.1741 5.1898 5.2006
6.1720 6.1783 6.2506 6.2570 6.2825 6.2865 8.2913 8.3355
8.4166 8.4422 8.4772 8.5202 8.6374 8.6744 8.6791 8.7431
8.8431 8.8501 11.8963 11.9040
k = 0.0500 0.0500-0.0000 ( 6503 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1188 -7.1188 -6.1248 -6.1242 -6.0411 -6.0406 -6.0364 -6.0362
1.0318 1.0369 1.0376 1.0430 1.4237 1.4239 2.7204 2.7212
2.7673 2.7691 2.7797 2.7824 3.2894 3.2907 3.3852 3.3962
3.4008 3.4044 3.7134 3.7300 3.7305 3.7738 3.7950 3.7961
3.8496 3.8608 3.8811 3.8922 4.3990 4.4022 4.4906 4.5255
4.5328 4.5446 4.6444 4.6446 4.6825 4.6847 4.6908 4.7119
4.9647 4.9658 5.0900 5.0903 5.1431 5.1786 5.1840 5.1930
6.2049 6.2096 6.2564 6.2605 6.2845 6.2881 8.3111 8.3440
8.4162 8.4383 8.4669 8.5064 8.6282 8.6493 8.6696 8.7247
8.7833 8.7834 11.8870 11.8911
k = 0.0375 0.0375-0.0000 ( 6493 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7105 -25.7105 -25.7105 -25.7105
-7.1233 -7.1233 -6.1228 -6.1225 -6.0381 -6.0378 -6.0354 -6.0353
1.0263 1.0298 1.0301 1.0339 1.4167 1.4168 2.7251 2.7255
2.7712 2.7723 2.7786 2.7807 3.2950 3.2955 3.3945 3.4031
3.4042 3.4077 3.7309 3.7432 3.7455 3.7836 3.7932 3.7965
3.8402 3.8530 3.8627 3.8745 4.4041 4.4055 4.5024 4.5258
4.5338 4.5441 4.6464 4.6467 4.6850 4.6881 4.6881 4.7053
4.9635 4.9639 5.0922 5.0923 5.1549 5.1803 5.1816 5.1874
6.2312 6.2340 6.2599 6.2624 6.2877 6.2904 8.3321 8.3519
8.4224 8.4361 8.4617 8.4942 8.6123 8.6197 8.6655 8.7086
8.7293 8.7371 11.8782 11.8800
k = 0.0250 0.0250-0.0000 ( 6473 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7105 -25.7105 -25.7105 -25.7105
-7.1266 -7.1266 -6.1213 -6.1212 -6.0360 -6.0357 -6.0348 -6.0346
1.0225 1.0244 1.0250 1.0271 1.4117 1.4117 2.7278 2.7279
2.7746 2.7752 2.7780 2.7793 3.2988 3.2989 3.4018 3.4069
3.4075 3.4098 3.7480 3.7552 3.7599 3.7897 3.7900 3.7973
3.8328 3.8457 3.8468 3.8585 4.4077 4.4082 4.5131 4.5269
4.5336 4.5415 4.6479 4.6480 4.6873 4.6875 4.6902 4.6994
4.9625 4.9626 5.0934 5.0934 5.1650 5.1785 5.1826 5.1837
6.2499 6.2509 6.2619 6.2632 6.2920 6.2932 8.3500 8.3576
8.4366 8.4401 8.4609 8.4836 8.5851 8.5853 8.6660 8.6947
8.6947 8.7063 11.8711 11.8717
k = 0.0125 0.0125-0.0000 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1285 -7.1285 -6.1205 -6.1204 -6.0346 -6.0345 -6.0344 -6.0342
1.0205 1.0213 1.0218 1.0226 1.4086 1.4086 2.7292 2.7292
2.7770 2.7773 2.7778 2.7784 3.3010 3.3010 3.4070 3.4089
3.4097 3.4107 3.7632 3.7653 3.7734 3.7864 3.7899 3.7948
3.8306 3.8367 3.8392 3.8450 4.4098 4.4099 4.5226 4.5286
4.5324 4.5370 4.6488 4.6488 4.6883 4.6895 4.6911 4.6946
4.9618 4.9618 5.0939 5.0939 5.1731 5.1781 5.1805 5.1821
6.2602 6.2603 6.2628 6.2634 6.2958 6.2960 8.3600 8.3611
8.4544 8.4563 8.4632 8.4749 8.5511 8.5518 8.6701 8.6796
8.6834 8.6883 11.8665 11.8665
k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1292 -7.1292 -6.1202 -6.1202 -6.0342 -6.0342 -6.0342 -6.0342
1.0205 1.0205 1.0205 1.0205 1.4076 1.4076 2.7296 2.7296
2.7779 2.7779 2.7779 2.7779 3.3017 3.3017 3.4099 3.4099
3.4099 3.4099 3.7706 3.7706 3.7858 3.7858 3.7858 3.7858
3.8351 3.8351 3.8351 3.8351 4.4105 4.4105 4.5306 4.5306
4.5306 4.5306 4.6491 4.6491 4.6908 4.6908 4.6908 4.6908
4.9616 4.9616 5.0941 5.0941 5.1788 5.1788 5.1788 5.1788
6.2633 6.2633 6.2633 6.2633 6.2974 6.2974 8.3625 8.3625
8.4679 8.4679 8.4679 8.4679 8.5329 8.5329 8.6773 8.6773
8.6773 8.6773 11.8648 11.8648
k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1292 -7.1292 -6.1202 -6.1202 -6.0342 -6.0342 -6.0342 -6.0342
1.0205 1.0205 1.0205 1.0205 1.4076 1.4076 2.7296 2.7296
2.7779 2.7779 2.7779 2.7779 3.3017 3.3017 3.4099 3.4099
3.4099 3.4099 3.7706 3.7706 3.7858 3.7858 3.7858 3.7858
3.8351 3.8351 3.8351 3.8351 4.4105 4.4105 4.5306 4.5306
4.5306 4.5306 4.6491 4.6491 4.6908 4.6908 4.6908 4.6908
4.9616 4.9616 5.0941 5.0941 5.1788 5.1788 5.1788 5.1788
6.2633 6.2633 6.2633 6.2633 6.2974 6.2974 8.3625 8.3625
8.4679 8.4679 8.4679 8.4679 8.5329 8.5329 8.6773 8.6773
8.6773 8.6773 11.8648 11.8648
k = 0.0102 0.0102 0.0102 ( 6451 PWs) bands (ev):
-61.4436 -61.4436 -34.3625 -34.3625 -25.7104 -25.7104 -25.7104 -25.7104
-7.1285 -7.1285 -6.1205 -6.1205 -6.0345 -6.0345 -6.0345 -6.0343
1.0205 1.0215 1.0215 1.0226 1.4086 1.4086 2.7292 2.7292
2.7772 2.7772 2.7777 2.7784 3.3010 3.3010 3.4069 3.4093
3.4093 3.4106 3.7646 3.7646 3.7726 3.7882 3.7882 3.7946
3.8310 3.8379 3.8379 3.8449 4.4099 4.4099 4.5223 4.5305
4.5305 4.5372 4.6488 4.6488 4.6883 4.6902 4.6902 4.6947
4.9618 4.9618 5.0939 5.0939 5.1728 5.1794 5.1794 5.1821
6.2601 6.2601 6.2630 6.2636 6.2959 6.2959 8.3606 8.3606
8.4556 8.4556 8.4624 8.4752 8.5514 8.5514 8.6698 8.6818
8.6818 8.6880 11.8665 11.8665
k = 0.0204 0.0204 0.0204 ( 6484 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7105 -25.7105 -25.7105 -25.7105
-7.1266 -7.1266 -6.1213 -6.1213 -6.0354 -6.0353 -6.0353 -6.0351
1.0227 1.0247 1.0247 1.0269 1.4116 1.4116 2.7279 2.7279
2.7751 2.7751 2.7777 2.7792 3.2989 3.2989 3.4018 3.4076
3.4076 3.4090 3.7529 3.7529 3.7584 3.7895 3.7895 3.7943
3.8372 3.8459 3.8459 3.8571 4.4079 4.4079 4.5124 4.5304
4.5304 4.5417 4.6479 4.6479 4.6876 4.6884 4.6884 4.6999
4.9625 4.9625 5.0934 5.0934 5.1641 5.1815 5.1815 5.1828
6.2496 6.2496 6.2625 6.2637 6.2928 6.2928 8.3538 8.3538
8.4392 8.4392 8.4587 8.4842 8.5849 8.5849 8.6655 8.6974
8.6974 8.7016 11.8714 11.8714
k = 0.0306 0.0306 0.0306 ( 6493 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7105 -25.7105 -25.7105 -25.7105
-7.1233 -7.1233 -6.1226 -6.1226 -6.0369 -6.0368 -6.0368 -6.0363
1.0269 1.0299 1.0299 1.0333 1.4167 1.4167 2.7254 2.7254
2.7720 2.7720 2.7780 2.7803 3.2953 3.2953 3.3947 3.4048
3.4048 3.4049 3.7396 3.7396 3.7444 3.7872 3.7872 3.7881
3.8507 3.8578 3.8578 3.8709 4.4049 4.4049 4.5014 4.5302
4.5302 4.5443 4.6465 4.6465 4.6858 4.6858 4.6889 4.7061
4.9637 4.9637 5.0921 5.0921 5.1530 5.1810 5.1854 5.1854
6.2304 6.2304 6.2620 6.2637 6.2895 6.2895 8.3417 8.3417
8.4319 8.4319 8.4569 8.4944 8.6148 8.6148 8.6648 8.7182
8.7298 8.7298 11.8790 11.8790
k = 0.0408 0.0408 0.0408 ( 6499 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7105 -25.7105
-7.1188 -7.1188 -6.1244 -6.1244 -6.0389 -6.0388 -6.0388 -6.0381
1.0333 1.0371 1.0371 1.0419 1.4238 1.4238 2.7212 2.7212
2.7686 2.7686 2.7787 2.7817 3.2904 3.2904 3.3856 3.3984
3.4009 3.4009 3.7259 3.7259 3.7311 3.7804 3.7817 3.7817
3.8667 3.8718 3.8718 3.8857 4.4007 4.4007 4.4894 4.5298
4.5298 4.5447 4.6443 4.6443 4.6825 4.6825 4.6921 4.7131
4.9652 4.9652 5.0899 5.0899 5.1397 5.1770 5.1917 5.1917
6.2028 6.2028 6.2612 6.2635 6.2867 6.2867 8.3266 8.3266
8.4336 8.4336 8.4568 8.5056 8.6361 8.6361 8.6677 8.7374
8.7803 8.7803 11.8885 11.8885
k = 0.0510 0.0510 0.0510 ( 6493 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7106 -25.7106
-7.1130 -7.1130 -6.1267 -6.1267 -6.0413 -6.0413 -6.0413 -6.0404
1.0416 1.0463 1.0463 1.0524 1.4328 1.4328 2.7145 2.7145
2.7656 2.7656 2.7797 2.7834 3.2839 3.2839 3.3747 3.3895
3.3960 3.3960 3.7120 3.7120 3.7186 3.7726 3.7737 3.7737
3.8838 3.8871 3.8871 3.9015 4.3957 4.3957 4.4765 4.5290
4.5290 4.5433 4.6414 4.6414 4.6790 4.6790 4.6971 4.7206
4.9670 4.9670 5.0864 5.0864 5.1244 5.1711 5.2008 5.2008
6.1679 6.1679 6.2602 6.2629 6.2839 6.2839 8.3123 8.3123
8.4411 8.4411 8.4583 8.5171 8.6526 8.6526 8.6746 8.7593
8.8437 8.8437 11.8989 11.8989
k = 0.0612 0.0612 0.0612 ( 6496 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7106 -25.7106
-7.1059 -7.1059 -6.1296 -6.1296 -6.0444 -6.0444 -6.0443 -6.0432
1.0520 1.0574 1.0574 1.0650 1.4437 1.4437 2.7047 2.7047
2.7635 2.7635 2.7810 2.7854 3.2760 3.2760 3.3622 3.3780
3.3902 3.3902 3.6981 3.6981 3.7071 3.7634 3.7634 3.7651
3.9013 3.9030 3.9030 3.9180 4.3897 4.3897 4.4629 4.5276
4.5276 4.5401 4.6372 4.6372 4.6757 4.6757 4.7035 4.7285
4.9690 4.9690 5.0818 5.0818 5.1077 5.1636 5.2130 5.2130
6.1268 6.1268 6.2587 6.2618 6.2809 6.2809 8.3005 8.3005
8.4522 8.4522 8.4612 8.5287 8.6679 8.6679 8.6855 8.7836
8.9151 8.9151 11.9094 11.9094
k = 0.0714 0.0714 0.0714 ( 6496 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7106 -25.7106
-7.0975 -7.0975 -6.1329 -6.1329 -6.0480 -6.0480 -6.0478 -6.0465
1.0642 1.0703 1.0703 1.0795 1.4564 1.4564 2.6918 2.6918
2.7624 2.7624 2.7826 2.7876 3.2665 3.2665 3.3480 3.3642
3.3834 3.3834 3.6841 3.6841 3.6965 3.7511 3.7511 3.7580
3.9190 3.9193 3.9193 3.9352 4.3831 4.3831 4.4487 4.5257
4.5257 4.5356 4.6318 4.6318 4.6732 4.6732 4.7112 4.7368
4.9710 4.9710 5.0764 5.0764 5.0899 5.1551 5.2282 5.2282
6.0806 6.0806 6.2567 6.2600 6.2775 6.2775 8.2920 8.2920
8.4653 8.4654 8.4654 8.5400 8.6840 8.6840 8.7003 8.8100
8.9919 8.9919 11.9191 11.9191
k = 0.0816 0.0816 0.0816 ( 6490 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7106 -25.7106 -25.7106 -25.7106
-7.0880 -7.0880 -6.1367 -6.1367 -6.0521 -6.0521 -6.0517 -6.0502
1.0783 1.0850 1.0850 1.0959 1.4708 1.4708 2.6758 2.6758
2.7624 2.7624 2.7845 2.7901 3.2555 3.2555 3.3325 3.3481
3.3760 3.3760 3.6700 3.6700 3.6870 3.7372 3.7372 3.7514
3.9356 3.9356 3.9367 3.9530 4.3760 4.3760 4.4340 4.5231
4.5231 4.5300 4.6249 4.6249 4.6719 4.6719 4.7198 4.7452
4.9729 4.9729 5.0706 5.0706 5.0716 5.1458 5.2464 5.2464
6.0305 6.0305 6.2541 6.2575 6.2734 6.2734 8.2869 8.2869
8.4704 8.4800 8.4800 8.5509 8.7017 8.7017 8.7188 8.8384
9.0720 9.0720 11.9276 11.9276
k = 0.0918 0.0918 0.0918 ( 6478 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7106 -25.7106
-7.0772 -7.0772 -6.1409 -6.1409 -6.0566 -6.0566 -6.0561 -6.0544
1.0940 1.1013 1.1013 1.1141 1.4868 1.4868 2.6571 2.6571
2.7632 2.7632 2.7868 2.7928 3.2429 3.2429 3.3156 3.3299
3.3678 3.3678 3.6554 3.6554 3.6783 3.7220 3.7220 3.7451
3.9520 3.9520 3.9544 3.9714 4.3685 4.3685 4.4191 4.5197
4.5197 4.5236 4.6169 4.6169 4.6719 4.6719 4.7290 4.7538
4.9746 4.9746 5.0532 5.0648 5.0648 5.1363 5.2672 5.2672
5.9773 5.9773 6.2508 6.2542 6.2686 6.2686 8.2854 8.2854
8.4763 8.4952 8.4952 8.5614 8.7215 8.7215 8.7406 8.8685
9.1541 9.1541 11.9346 11.9346
k = 0.1020 0.1020 0.1020 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7107 -25.7107
-7.0653 -7.0653 -6.1455 -6.1455 -6.0616 -6.0616 -6.0609 -6.0591
1.1114 1.1192 1.1192 1.1338 1.5043 1.5043 2.6358 2.6358
2.7645 2.7645 2.7894 2.7958 3.2289 3.2289 3.2977 3.3098
3.3592 3.3592 3.6398 3.6398 3.6704 3.7060 3.7060 3.7390
3.9681 3.9681 3.9720 3.9901 4.3608 4.3608 4.4039 4.5154
4.5154 4.5166 4.6081 4.6081 4.6730 4.6730 4.7386 4.7624
4.9761 4.9761 5.0351 5.0593 5.0593 5.1267 5.2905 5.2905
5.9218 5.9218 6.2466 6.2500 6.2629 6.2629 8.2872 8.2872
8.4828 8.5107 8.5107 8.5717 8.7434 8.7434 8.7649 8.9000
9.2370 9.2370 11.9398 11.9398
k = 0.1122 0.1122 0.1122 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3626 -34.3626 -25.7107 -25.7107 -25.7107 -25.7107
-7.0523 -7.0523 -6.1505 -6.1505 -6.0671 -6.0671 -6.0661 -6.0641
1.1302 1.1384 1.1384 1.1551 1.5231 1.5231 2.6121 2.6121
2.7663 2.7663 2.7922 2.7989 3.2135 3.2135 3.2787 3.2882
3.3501 3.3501 3.6226 3.6226 3.6632 3.6900 3.6900 3.7332
3.9840 3.9840 3.9893 4.0092 4.3530 4.3530 4.3886 4.5093
4.5102 4.5102 4.5991 4.5991 4.6751 4.6751 4.7483 4.7709
4.9773 4.9773 5.0178 5.0545 5.0545 5.1176 5.3161 5.3161
5.8649 5.8649 6.2416 6.2449 6.2565 6.2565 8.2922 8.2922
8.4897 8.5262 8.5262 8.5818 8.7675 8.7675 8.7914 8.9327
9.3196 9.3196 11.9428 11.9428
k = 0.1224 0.1224 0.1224 ( 6487 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7108 -25.7108 -25.7108 -25.7108
-7.0382 -7.0382 -6.1559 -6.1559 -6.0729 -6.0729 -6.0716 -6.0696
1.1503 1.1588 1.1588 1.1778 1.5429 1.5429 2.5863 2.5863
2.7685 2.7685 2.7953 2.8021 3.1969 3.1969 3.2589 3.2651
3.3406 3.3406 3.6032 3.6032 3.6566 3.6746 3.6746 3.7274
3.9993 3.9993 4.0063 4.0285 4.3454 4.3454 4.3735 4.5018
4.5042 4.5042 4.5901 4.5901 4.6781 4.6781 4.7578 4.7794
4.9783 4.9783 5.0018 5.0503 5.0503 5.1091 5.3439 5.3439
5.8072 5.8072 6.2357 6.2387 6.2492 6.2492 8.3002 8.3002
8.4968 8.5414 8.5414 8.5918 8.7937 8.7937 8.8194 8.9662
9.4008 9.4008 11.9435 11.9435
k = 0.1327 0.1327 0.1327 ( 6478 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7108 -25.7108 -25.7108 -25.7108
-7.0230 -7.0230 -6.1616 -6.1616 -6.0791 -6.0791 -6.0775 -6.0753
1.1716 1.1803 1.1803 1.2017 1.5638 1.5638 2.5586 2.5586
2.7709 2.7709 2.7987 2.8055 3.1792 3.1792 3.2385 3.2411
3.3308 3.3308 3.5811 3.5811 3.6503 3.6603 3.6603 3.7216
4.0141 4.0141 4.0229 4.0478 4.3381 4.3381 4.3587 4.4945
4.4975 4.4975 4.5817 4.5817 4.6820 4.6820 4.7672 4.7877
4.9790 4.9790 4.9875 5.0469 5.0469 5.1014 5.3736 5.3736
5.7493 5.7493 6.2290 6.2317 6.2412 6.2412 8.3111 8.3111
8.5040 8.5564 8.5564 8.6019 8.8218 8.8218 8.8487 9.0004
9.4796 9.4796 11.9418 11.9418
k = 0.1429 0.1429 0.1429 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7109 -25.7109 -25.7108 -25.7108
-7.0069 -7.0069 -6.1676 -6.1676 -6.0856 -6.0856 -6.0838 -6.0814
1.1938 1.2027 1.2027 1.2267 1.5854 1.5854 2.5290 2.5290
2.7737 2.7737 2.8024 2.8090 3.1607 3.1607 3.2163 3.2176
3.3208 3.3208 3.5563 3.5563 3.6444 3.6474 3.6474 3.7157
4.0281 4.0281 4.0389 4.0669 4.3312 4.3312 4.3447 4.4875
4.4903 4.4903 4.5738 4.5738 4.6867 4.6867 4.7760 4.7960
4.9752 4.9797 4.9797 5.0442 5.0442 5.0948 5.4050 5.4050
5.6917 5.6917 6.2215 6.2238 6.2324 6.2324 8.3244 8.3244
8.5112 8.5711 8.5711 8.6120 8.8515 8.8515 8.8788 9.0350
9.5552 9.5552 11.9381 11.9381
k = 0.1531 0.1531 0.1531 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7109 -25.7109 -25.7109 -25.7109
-6.9898 -6.9898 -6.1739 -6.1739 -6.0924 -6.0924 -6.0903 -6.0878
1.2169 1.2257 1.2257 1.2525 1.6074 1.6074 2.4979 2.4979
2.7766 2.7766 2.8063 2.8125 3.1416 3.1416 3.1912 3.1965
3.3106 3.3106 3.5292 3.5292 3.6357 3.6357 3.6386 3.7096
4.0413 4.0413 4.0543 4.0858 4.3249 4.3249 4.3314 4.4810
4.4828 4.4828 4.5667 4.5667 4.6921 4.6921 4.7839 4.8041
4.9652 4.9804 4.9804 5.0420 5.0420 5.0894 5.4380 5.4380
5.6347 5.6347 6.2133 6.2150 6.2229 6.2229 8.3402 8.3402
8.5182 8.5857 8.5857 8.6220 8.8826 8.8826 8.9094 9.0699
9.6267 9.6267 11.9330 11.9330
k = 0.1633 0.1633 0.1633 ( 6490 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7110 -25.7110 -25.7110 -25.7110
-6.9718 -6.9718 -6.1805 -6.1805 -6.0994 -6.0994 -6.0970 -6.0945
1.2406 1.2492 1.2492 1.2790 1.6296 1.6296 2.4654 2.4654
2.7795 2.7795 2.8105 2.8159 3.1223 3.1223 3.1660 3.1754
3.3001 3.3001 3.5004 3.5004 3.6248 3.6248 3.6329 3.7032
4.0533 4.0533 4.0690 4.1039 4.3193 4.3193 4.3194 4.4752
4.4752 4.4753 4.5603 4.5603 4.6982 4.6982 4.7909 4.8121
4.9580 4.9811 4.9811 5.0401 5.0401 5.0851 5.4724 5.4724
5.5791 5.5791 6.2044 6.2055 6.2127 6.2127 8.3579 8.3579
8.5249 8.6004 8.6004 8.6318 8.9147 8.9147 8.9405 9.1049
9.6935 9.6935 11.9270 11.9270
k = 0.1735 0.1735 0.1735 ( 6481 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7110 -25.7110 -25.7110 -25.7110
-6.9529 -6.9529 -6.1872 -6.1872 -6.1067 -6.1067 -6.1040 -6.1014
1.2646 1.2729 1.2729 1.3059 1.6516 1.6516 2.4318 2.4318
2.7826 2.7826 2.8149 2.8191 3.1031 3.1031 3.1412 3.1546
3.2894 3.2894 3.4703 3.4703 3.6147 3.6147 3.6272 3.6966
4.0643 4.0643 4.0829 4.1212 4.3090 4.3146 4.3146 4.4678
4.4678 4.4706 4.5546 4.5546 4.7049 4.7049 4.7965 4.8200
4.9537 4.9821 4.9821 5.0383 5.0383 5.0822 5.5058 5.5058
5.5274 5.5274 6.1950 6.1955 6.2022 6.2022 8.3773 8.3773
8.5312 8.6154 8.6154 8.6415 8.9478 8.9478 8.9718 9.1398
9.7550 9.7550 11.9207 11.9207
k = 0.1837 0.1837 0.1837 ( 6481 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7111 -25.7111 -25.7111 -25.7111
-6.9333 -6.9333 -6.1942 -6.1942 -6.1141 -6.1141 -6.1111 -6.1084
1.2888 1.2966 1.2966 1.3331 1.6730 1.6730 2.3973 2.3973
2.7857 2.7857 2.8195 2.8220 3.0843 3.0843 3.1173 3.1342
3.2784 3.2784 3.4396 3.4396 3.6049 3.6049 3.6214 3.6895
4.0741 4.0741 4.0960 4.1370 4.3007 4.3108 4.3108 4.4609
4.4609 4.4670 4.5496 4.5496 4.7123 4.7123 4.8006 4.8277
4.9525 4.9830 4.9830 5.0365 5.0365 5.0804 5.4707 5.4707
5.5470 5.5470 6.1851 6.1852 6.1913 6.1913 8.3979 8.3979
8.5370 8.6309 8.6309 8.6509 8.9815 8.9815 9.0033 9.1746
9.8108 9.8108 11.9144 11.9144
k = 0.1939 0.1939 0.1939 ( 6481 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7111 -25.7111 -25.7111 -25.7111
-6.9129 -6.9129 -6.2013 -6.2013 -6.1217 -6.1217 -6.1184 -6.1157
1.3130 1.3199 1.3199 1.3602 1.6935 1.6935 2.3622 2.3622
2.7887 2.7887 2.8243 2.8245 3.0664 3.0664 3.0946 3.1146
3.2670 3.2670 3.4089 3.4089 3.5954 3.5954 3.6154 3.6820
4.0826 4.0826 4.1083 4.1508 4.2952 4.3078 4.3078 4.4546
4.4546 4.4645 4.5451 4.5451 4.7203 4.7203 4.8031 4.8352
4.9543 4.9838 4.9838 5.0346 5.0346 5.0799 5.4208 5.4208
5.5850 5.5850 6.1744 6.1753 6.1802 6.1802 8.4193 8.4193
8.5424 8.6474 8.6474 8.6598 9.0157 9.0157 9.0349 9.2092
9.8608 9.8608 11.9083 11.9083
k = 0.2041 0.2041 0.2041 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7112 -25.7112 -25.7112 -25.7112
-6.8920 -6.8920 -6.2085 -6.2085 -6.1294 -6.1294 -6.1258 -6.1230
1.3368 1.3427 1.3427 1.3869 1.7125 1.7125 2.3269 2.3269
2.7917 2.7917 2.8264 2.8292 3.0496 3.0496 3.0737 3.0960
3.2550 3.2550 3.3791 3.3791 3.5860 3.5860 3.6092 3.6740
4.0900 4.0900 4.1198 4.1621 4.2928 4.3057 4.3057 4.4491
4.4491 4.4633 4.5412 4.5412 4.7289 4.7289 4.8042 4.8426
4.9588 4.9841 4.9841 5.0328 5.0328 5.0806 5.3731 5.3731
5.6242 5.6242 6.1637 6.1654 6.1692 6.1692 8.4408 8.4408
8.5472 8.6651 8.6651 8.6683 9.0502 9.0502 9.0667 9.2436
9.9050 9.9050 11.9025 11.9025
k = 0.2143 0.2143 0.2143 ( 6457 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7112 -25.7112 -25.7112 -25.7112
-6.8704 -6.8704 -6.2158 -6.2158 -6.1372 -6.1372 -6.1333 -6.1305
1.3602 1.3647 1.3647 1.4131 1.7296 1.7296 2.2916 2.2916
2.7946 2.7946 2.8275 2.8341 3.0345 3.0345 3.0551 3.0788
3.2423 3.2423 3.3507 3.3507 3.5768 3.5768 3.6028 3.6656
4.0964 4.0964 4.1306 4.1704 4.2942 4.3044 4.3044 4.4444
4.4444 4.4634 4.5377 4.5377 4.7378 4.7378 4.8041 4.8496
4.9658 4.9832 4.9832 5.0313 5.0313 5.0824 5.3284 5.3284
5.6643 5.6643 6.1533 6.1557 6.1584 6.1584 8.4620 8.4620
8.5515 8.6761 8.6845 8.6845 9.0848 9.0848 9.0985 9.2775
9.9437 9.9437 11.8968 11.8968
k = 0.2245 0.2245 0.2245 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7113 -25.7113 -25.7113 -25.7113
-6.8484 -6.8484 -6.2231 -6.2231 -6.1450 -6.1450 -6.1409 -6.1380
1.3827 1.3856 1.3856 1.4384 1.7440 1.7440 2.2568 2.2568
2.7974 2.7974 2.8276 2.8391 3.0212 3.0212 3.0391 3.0631
3.2286 3.2286 3.3247 3.3247 3.5675 3.5675 3.5961 3.6567
4.1018 4.1018 4.1408 4.1758 4.2991 4.3037 4.3037 4.4404
4.4404 4.4645 4.5345 4.5345 4.7470 4.7470 4.8030 4.8563
4.9747 4.9800 4.9800 5.0305 5.0305 5.0851 5.2871 5.2871
5.7052 5.7052 6.1433 6.1466 6.1481 6.1481 8.4823 8.4823
8.5552 8.6833 8.7058 8.7058 9.1193 9.1193 9.1303 9.3110
9.9773 9.9773 11.8799 11.8909
k = 0.2347 0.2347 0.2347 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7114 -25.7114 -25.7114 -25.7114
-6.8259 -6.8259 -6.2305 -6.2305 -6.1528 -6.1528 -6.1485 -6.1456
1.4042 1.4051 1.4051 1.4626 1.7553 1.7553 2.2227 2.2227
2.8001 2.8001 2.8268 2.8441 3.0100 3.0100 3.0262 3.0493
3.2139 3.2139 3.3015 3.3015 3.5582 3.5582 3.5891 3.6473
4.1065 4.1065 4.1506 4.1789 4.3036 4.3036 4.3070 4.4372
4.4372 4.4667 4.5316 4.5316 4.7563 4.7563 4.8012 4.8626
4.9737 4.9737 4.9851 5.0311 5.0311 5.0888 5.2499 5.2499
5.7467 5.7467 6.1342 6.1383 6.1386 6.1386 8.5012 8.5012
8.5584 8.6897 8.7293 8.7293 9.1537 9.1537 9.1620 9.3439
10.0064 10.0064 11.8446 11.8749
k = 0.2449 0.2449 0.2449 ( 6475 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7115 -25.7115 -25.7114 -25.7114
-6.8031 -6.8031 -6.2379 -6.2379 -6.1606 -6.1606 -6.1561 -6.1532
1.4230 1.4230 1.4245 1.4853 1.7628 1.7628 2.1897 2.1897
2.8028 2.8028 2.8250 2.8490 3.0012 3.0012 3.0166 3.0375
3.1984 3.1984 3.2816 3.2816 3.5488 3.5488 3.5818 3.6375
4.1106 4.1106 4.1600 4.1805 4.3039 4.3039 4.3169 4.4345
4.4345 4.4696 4.5291 4.5291 4.7655 4.7655 4.7989 4.8683
4.9637 4.9637 4.9964 5.0330 5.0330 5.0931 5.2171 5.2171
5.7886 5.7886 6.1262 6.1302 6.1302 6.1311 8.5183 8.5183
8.5612 8.6954 8.7550 8.7550 9.1876 9.1876 9.1937 9.3762
10.0316 10.0316 11.8037 11.8386
k = 0.2551 0.2551 0.2551 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7115 -25.7115 -25.7115 -25.7115
-6.7801 -6.7801 -6.2452 -6.2452 -6.1683 -6.1683 -6.1636 -6.1607
1.4391 1.4391 1.4434 1.5062 1.7662 1.7662 2.1581 2.1581
2.8058 2.8058 2.8225 2.8539 2.9948 2.9948 3.0102 3.0281
3.1829 3.1829 3.2648 3.2648 3.5394 3.5394 3.5742 3.6273
4.1144 4.1144 4.1693 4.1815 4.3047 4.3047 4.3281 4.4324
4.4324 4.4732 4.5268 4.5268 4.7745 4.7745 4.7961 4.8734
4.9500 4.9500 5.0083 5.0357 5.0357 5.0980 5.1892 5.1892
5.8309 5.8309 6.1198 6.1231 6.1231 6.1254 8.5336 8.5336
8.5635 8.7004 8.7828 8.7828 9.2210 9.2210 9.2251 9.4076
10.0537 10.0537 11.7569 11.7967
k = 0.2653 0.2653 0.2653 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7116 -25.7116 -25.7116 -25.7116
-6.7569 -6.7569 -6.2525 -6.2525 -6.1759 -6.1759 -6.1710 -6.1682
1.4532 1.4532 1.4606 1.5253 1.7650 1.7650 2.1280 2.1280
2.8090 2.8090 2.8198 2.8586 2.9908 2.9908 3.0069 3.0211
3.1685 3.1685 3.2506 3.2506 3.5299 3.5299 3.5664 3.6167
4.1180 4.1180 4.1787 4.1824 4.3057 4.3057 4.3399 4.4306
4.4306 4.4773 4.5248 4.5248 4.7831 4.7831 4.7930 4.8778
4.9330 4.9330 5.0203 5.0387 5.0387 5.1031 5.1662 5.1662
5.8734 5.8734 6.1152 6.1177 6.1177 6.1216 8.5472 8.5472
8.5654 8.7047 8.8124 8.8124 9.2536 9.2536 9.2561 9.4381
10.0734 10.0734 11.7042 11.7488
k = 0.2755 0.2755 0.2755 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7116 -25.7116 -25.7116 -25.7116
-6.7337 -6.7337 -6.2597 -6.2597 -6.1834 -6.1834 -6.1784 -6.1756
1.4651 1.4651 1.4761 1.5421 1.7593 1.7593 2.0993 2.0993
2.8129 2.8129 2.8175 2.8634 2.9892 2.9892 3.0063 3.0165
3.1559 3.1559 3.2384 3.2384 3.5204 3.5204 3.5583 3.6059
4.1214 4.1214 4.1837 4.1882 4.3071 4.3071 4.3518 4.4292
4.4292 4.4816 4.5229 4.5229 4.7895 4.7910 4.7910 4.8814
4.9133 4.9133 5.0320 5.0411 5.0411 5.1082 5.1483 5.1483
5.9159 5.9159 6.1129 6.1145 6.1145 6.1200 8.5592 8.5592
8.5671 8.7083 8.8432 8.8432 9.2851 9.2851 9.2866 9.4673
10.0916 10.0916 11.6458 11.6949
k = 0.2857 0.2857 0.2857 ( 6463 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7117 -25.7117 -25.7117 -25.7117
-6.7105 -6.7105 -6.2668 -6.2668 -6.1907 -6.1907 -6.1856 -6.1828
1.4748 1.4748 1.4897 1.5566 1.7491 1.7491 2.0717 2.0717
2.8159 2.8176 2.8176 2.8683 2.9896 2.9896 3.0079 3.0143
3.1462 3.1462 3.2278 3.2278 3.5108 3.5108 3.5501 3.5948
4.1249 4.1249 4.1857 4.1980 4.3087 4.3087 4.3635 4.4278
4.4278 4.4861 4.5212 4.5212 4.7858 4.7981 4.7981 4.8842
4.8920 4.8920 5.0420 5.0420 5.0431 5.1129 5.1351 5.1351
5.9583 5.9583 6.1131 6.1136 6.1136 6.1210 8.5685 8.5697
8.5697 8.7113 8.8748 8.8748 9.3154 9.3154 9.3162 9.4950
10.1088 10.1088 11.5817 11.6351
k = 0.2959 0.2959 0.2959 ( 6469 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7118 -25.7118 -25.7117 -25.7117
-6.6874 -6.6874 -6.2737 -6.2737 -6.1978 -6.1978 -6.1927 -6.1900
1.4822 1.4822 1.5014 1.5687 1.7352 1.7352 2.0449 2.0449
2.8156 2.8232 2.8232 2.8733 2.9921 2.9921 3.0114 3.0144
3.1398 3.1398 3.2184 3.2184 3.5012 3.5012 3.5416 3.5835
4.1284 4.1284 4.1885 4.2082 4.3105 4.3105 4.3748 4.4265
4.4265 4.4905 4.5195 4.5195 4.7818 4.8042 4.8042 4.8699
4.8699 4.8862 5.0408 5.0408 5.0531 5.1168 5.1262 5.1262
6.0003 6.0003 6.1156 6.1156 6.1164 6.1249 8.5699 8.5791
8.5791 8.7137 8.9067 8.9067 9.3439 9.3439 9.3447 9.5209
10.1258 10.1258 11.5126 11.5697
k = 0.3061 0.3061 0.3061 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7118 -25.7118 -25.7118 -25.7118
-6.6646 -6.6646 -6.2805 -6.2805 -6.2047 -6.2047 -6.1996 -6.1969
1.4873 1.4873 1.5113 1.5783 1.7181 1.7181 2.0182 2.0182
2.8169 2.8300 2.8300 2.8787 2.9962 2.9962 3.0163 3.0165
3.1370 3.1370 3.2100 3.2100 3.4917 3.4917 3.5331 3.5722
4.1320 4.1320 4.1924 4.2188 4.3126 4.3126 4.3857 4.4252
4.4252 4.4949 4.5180 4.5180 4.7776 4.8092 4.8092 4.8483
4.8483 4.8874 5.0371 5.0371 5.0617 5.1197 5.1210 5.1210
6.0418 6.0418 6.1207 6.1207 6.1229 6.1321 8.5713 8.5876
8.5876 8.7157 8.9385 8.9385 9.3705 9.3705 9.3717 9.5447
10.1430 10.1430 11.4392 11.4994
k = 0.3163 0.3163 0.3163 ( 6439 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7118 -25.7118 -25.7118 -25.7118
-6.6421 -6.6421 -6.2871 -6.2871 -6.2114 -6.2114 -6.2062 -6.2037
1.4902 1.4902 1.5192 1.5854 1.6989 1.6989 1.9914 1.9914
2.8201 2.8379 2.8379 2.8846 3.0019 3.0019 3.0204 3.0224
3.1376 3.1376 3.2026 3.2026 3.4822 3.4822 3.5244 3.5607
4.1357 4.1357 4.1972 4.2300 4.3150 4.3150 4.3960 4.4238
4.4238 4.4991 4.5165 4.5165 4.7731 4.8111 4.8111 4.8295
4.8295 4.8877 5.0311 5.0311 5.0687 5.1182 5.1182 5.1211
6.0822 6.0822 6.1296 6.1296 6.1328 6.1427 8.5728 8.5955
8.5955 8.7174 8.9695 8.9695 9.3948 9.3948 9.3969 9.5659
10.1611 10.1611 11.3623 11.4251
k = 0.3265 0.3265 0.3265 ( 6436 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7119 -25.7119 -25.7119 -25.7119
-6.6201 -6.6201 -6.2935 -6.2935 -6.2178 -6.2178 -6.2127 -6.2102
1.4909 1.4909 1.5253 1.5903 1.6783 1.6783 1.9639 1.9639
2.8250 2.8468 2.8468 2.8911 3.0087 3.0087 3.0257 3.0293
3.1415 3.1415 3.1963 3.1963 3.4727 3.4727 3.5157 3.5493
4.1394 4.1394 4.2031 4.2416 4.3177 4.3177 4.4057 4.4221
4.4221 4.5029 4.5150 4.5150 4.7684 4.8010 4.8010 4.8230
4.8230 4.8872 5.0234 5.0234 5.0738 5.1166 5.1166 5.1209
6.1198 6.1198 6.1440 6.1440 6.1464 6.1568 8.5746 8.6028
8.6028 8.7188 8.9996 8.9996 9.4163 9.4163 9.4196 9.5840
10.1802 10.1802 11.2832 11.3479
k = 0.3367 0.3367 0.3367 ( 6437 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7119 -25.7119 -25.7119 -25.7119
-6.5986 -6.5986 -6.2996 -6.2996 -6.2239 -6.2239 -6.2189 -6.2165
1.4898 1.4898 1.5298 1.5929 1.6571 1.6571 1.9356 1.9356
2.8318 2.8567 2.8567 2.8981 3.0166 3.0166 3.0322 3.0368
3.1476 3.1476 3.1915 3.1915 3.4634 3.4634 3.5070 3.5379
4.1431 4.1431 4.2100 4.2538 4.3207 4.3207 4.4147 4.4203
4.4203 4.5065 4.5133 4.5133 4.7635 4.7840 4.7840 4.8243
4.8243 4.8860 5.0143 5.0143 5.0768 5.1151 5.1151 5.1187
6.1475 6.1475 6.1634 6.1706 6.1706 6.1745 8.5768 8.6098
8.6098 8.7202 9.0283 9.0283 9.4345 9.4345 9.4395 9.5986
10.2008 10.2008 11.2031 11.2692
k = 0.3469 0.3469 0.3469 ( 6437 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7120 -25.7120 -25.7120 -25.7120
-6.5777 -6.5777 -6.3056 -6.3056 -6.2296 -6.2296 -6.2248 -6.2225
1.4867 1.4867 1.5328 1.5935 1.6361 1.6361 1.9066 1.9066
2.8403 2.8675 2.8675 2.9057 3.0252 3.0252 3.0397 3.0448
3.1543 3.1543 3.1896 3.1896 3.4543 3.4543 3.4983 3.5266
4.1467 4.1467 4.2179 4.2665 4.3241 4.3241 4.4183 4.4183
4.4232 4.5096 4.5116 4.5116 4.7585 4.7676 4.7676 4.8261
4.8261 4.8841 5.0045 5.0045 5.0778 5.1129 5.1129 5.1147
6.1685 6.1685 6.1840 6.1956 6.2063 6.2063 8.5795 8.6167
8.6167 8.7215 9.0555 9.0555 9.4491 9.4491 9.4558 9.6091
10.2229 10.2229 11.1233 11.1904
k = 0.3571 0.3571 0.3571 ( 6470 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7121 -25.7121 -25.7121 -25.7121
-6.5577 -6.5577 -6.3113 -6.3113 -6.2351 -6.2351 -6.2304 -6.2282
1.4821 1.4821 1.5345 1.5923 1.6158 1.6158 1.8768 1.8768
2.8502 2.8788 2.8788 2.9137 3.0345 3.0345 3.0477 3.0529
3.1583 3.1583 3.1932 3.1932 3.4455 3.4455 3.4897 3.5155
4.1501 4.1501 4.2268 4.2795 4.3277 4.3277 4.4159 4.4159
4.4311 4.5098 4.5098 4.5122 4.7530 4.7530 4.7534 4.8274
4.8274 4.8814 4.9941 4.9941 5.0767 5.1087 5.1095 5.1095
6.1904 6.1904 6.2077 6.2197 6.2428 6.2428 8.5829 8.6237
8.6237 8.7230 9.0809 9.0809 9.4594 9.4594 9.4680 9.6149
10.2466 10.2466 11.0454 11.1130
k = 0.3673 0.3673 0.3673 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7121 -25.7121 -25.7121 -25.7121
-6.5384 -6.5384 -6.3167 -6.3167 -6.2401 -6.2401 -6.2357 -6.2336
1.4760 1.4760 1.5350 1.5897 1.5968 1.5968 1.8466 1.8466
2.8614 2.8906 2.8906 2.9222 3.0442 3.0442 3.0563 3.0612
3.1582 3.1582 3.2033 3.2033 3.4371 3.4371 3.4814 3.5047
4.1534 4.1534 4.2367 4.2930 4.3317 4.3317 4.4135 4.4135
4.4384 4.5078 4.5078 4.5144 4.7407 4.7407 4.7484 4.8281
4.8281 4.8781 4.9836 4.9836 5.0738 5.1009 5.1049 5.1049
6.2146 6.2146 6.2344 6.2466 6.2785 6.2785 8.5872 8.6308
8.6308 8.7248 9.1045 9.1045 9.4652 9.4652 9.4756 9.6155
10.2720 10.2720 10.9709 11.0375
k = 0.3776 0.3776 0.3776 ( 6446 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7121 -25.7121 -25.7121 -25.7121
-6.5201 -6.5201 -6.3218 -6.3218 -6.2448 -6.2448 -6.2407 -6.2387
1.4688 1.4688 1.5347 1.5795 1.5795 1.5858 1.8162 1.8162
2.8735 2.9026 2.9026 2.9310 3.0541 3.0541 3.0650 3.0695
3.1557 3.1557 3.2174 3.2174 3.4292 3.4292 3.4734 3.4942
4.1564 4.1564 4.2475 4.3067 4.3360 4.3360 4.4108 4.4108
4.4452 4.5058 4.5058 4.5160 4.7307 4.7307 4.7435 4.8283
4.8283 4.8742 4.9730 4.9730 5.0692 5.0916 5.0988 5.0988
6.2410 6.2410 6.2634 6.2758 6.3128 6.3128 8.5924 8.6383
8.6383 8.7270 9.1260 9.1260 9.4659 9.4659 9.4778 9.6103
10.2989 10.2989 10.9012 10.9661
k = 0.3878 0.3878 0.3878 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7122 -25.7122 -25.7122 -25.7122
-6.5029 -6.5029 -6.3267 -6.3267 -6.2491 -6.2491 -6.2453 -6.2435
1.4606 1.4606 1.5336 1.5641 1.5641 1.5810 1.7860 1.7860
2.8862 2.9145 2.9145 2.9398 3.0641 3.0641 3.0736 3.0775
3.1524 3.1524 3.2332 3.2332 3.4220 3.4220 3.4656 3.4842
4.1590 4.1590 4.2591 4.3205 4.3406 4.3406 4.4080 4.4080
4.4513 4.5036 4.5036 4.5170 4.7228 4.7228 4.7390 4.8276
4.8276 4.8696 4.9627 4.9627 5.0633 5.0810 5.0913 5.0913
6.2690 6.2690 6.2942 6.3066 6.3455 6.3455 8.5987 8.6462
8.6462 8.7297 9.1455 9.1455 9.4613 9.4613 9.4742 9.5991
10.3271 10.3271 10.8375 10.9003
k = 0.3980 0.3980 0.3980 ( 6455 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7122 -25.7122 -25.7122 -25.7122
-6.4868 -6.4868 -6.3313 -6.3313 -6.2530 -6.2530 -6.2495 -6.2479
1.4519 1.4519 1.5320 1.5508 1.5508 1.5755 1.7563 1.7563
2.8993 2.9262 2.9262 2.9486 3.0739 3.0739 3.0820 3.0852
3.1490 3.1490 3.2495 3.2495 3.4157 3.4157 3.4583 3.4746
4.1611 4.1611 4.2716 4.3343 4.3454 4.3454 4.4053 4.4053
4.4570 4.5013 4.5013 4.5173 4.7173 4.7173 4.7350 4.8261
4.8261 4.8642 4.9530 4.9530 5.0562 5.0696 5.0825 5.0825
6.2980 6.2980 6.3261 6.3385 6.3763 6.3763 8.6063 8.6546
8.6546 8.7330 9.1630 9.1630 9.4514 9.4514 9.4648 9.5818
10.3566 10.3566 10.7808 10.8408
k = 0.4082 0.4082 0.4082 ( 6455 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7123 -25.7123 -25.7123 -25.7123
-6.4719 -6.4719 -6.3356 -6.3356 -6.2565 -6.2565 -6.2534 -6.2519
1.4429 1.4429 1.5302 1.5397 1.5397 1.5696 1.7273 1.7273
2.9125 2.9374 2.9374 2.9572 3.0835 3.0835 3.0900 3.0924
3.1458 3.1458 3.2651 3.2651 3.4105 3.4105 3.4514 3.4656
4.1629 4.1629 4.2847 4.3478 4.3504 4.3504 4.4026 4.4026
4.4620 4.4991 4.4991 4.5168 4.7138 4.7138 4.7317 4.8236
4.8236 4.8581 4.9443 4.9443 5.0484 5.0576 5.0727 5.0727
6.3273 6.3273 6.3585 6.3705 6.4052 6.4052 8.6154 8.6637
8.6637 8.7368 9.1783 9.1783 9.4364 9.4364 9.4497 9.5587
10.3871 10.3871 10.7320 10.7884
k = 0.4184 0.4184 0.4184 ( 6473 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7123 -25.7123 -25.7123 -25.7123
-6.4582 -6.4582 -6.3396 -6.3396 -6.2595 -6.2595 -6.2569 -6.2556
1.4341 1.4341 1.5283 1.5307 1.5307 1.5635 1.6995 1.6995
2.9254 2.9481 2.9481 2.9653 3.0925 3.0925 3.0973 3.0990
3.1428 3.1428 3.2792 3.2792 3.4069 3.4069 3.4450 3.4572
4.1640 4.1640 4.2982 4.3552 4.3552 4.3607 4.4001 4.4001
4.4665 4.4969 4.4969 4.5154 4.7123 4.7123 4.7294 4.8200
4.8200 4.8512 4.9370 4.9370 5.0402 5.0456 5.0621 5.0621
6.3562 6.3562 6.3906 6.4021 6.4319 6.4319 8.6258 8.6735
8.6735 8.7411 9.1913 9.1913 9.4172 9.4172 9.4297 9.5304
10.4180 10.4180 10.6911 10.7434
k = 0.4286 0.4286 0.4286 ( 6482 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4459 -6.4459 -6.3433 -6.3433 -6.2621 -6.2621 -6.2600 -6.2588
1.4258 1.4258 1.5239 1.5239 1.5264 1.5573 1.6731 1.6731
2.9379 2.9580 2.9580 2.9729 3.1009 3.1009 3.1039 3.1049
3.1403 3.1403 3.2911 3.2911 3.4052 3.4052 3.4393 3.4496
4.1648 4.1648 4.3122 4.3599 4.3599 4.3727 4.3981 4.3981
4.4705 4.4948 4.4948 4.5132 4.7124 4.7124 4.7283 4.8151
4.8151 4.8433 4.9312 4.9312 5.0318 5.0340 5.0510 5.0510
6.3837 6.3837 6.4216 6.4323 6.4563 6.4563 8.6378 8.6839
8.6839 8.7458 9.2019 9.2019 9.3948 9.3948 9.4058 9.4981
10.4491 10.4491 10.6582 10.7055
k = 0.4388 0.4388 0.4388 ( 6476 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4350 -6.4350 -6.3467 -6.3467 -6.2644 -6.2644 -6.2627 -6.2617
1.4182 1.4182 1.5191 1.5191 1.5248 1.5513 1.6483 1.6483
2.9497 2.9669 2.9669 2.9797 3.1083 3.1083 3.1096 3.1101
3.1383 3.1383 3.3003 3.3003 3.4055 3.4055 3.4342 3.4427
4.1653 4.1653 4.3264 4.3641 4.3641 4.3836 4.3967 4.3967
4.4740 4.4930 4.4930 4.5101 4.7142 4.7142 4.7287 4.8090
4.8090 4.8345 4.9274 4.9274 5.0234 5.0237 5.0397 5.0397
6.4092 6.4092 6.4507 6.4605 6.4784 6.4784 8.6513 8.6947
8.6947 8.7504 9.2098 9.2098 9.3709 9.3709 9.3797 9.4631
10.4797 10.4797 10.6326 10.6747
k = 0.4490 0.4490 0.4490 ( 6470 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4255 -6.4255 -6.3499 -6.3499 -6.2662 -6.2662 -6.2650 -6.2642
1.4116 1.4116 1.5164 1.5164 1.5235 1.5457 1.6255 1.6255
2.9605 2.9748 2.9748 2.9855 3.1144 3.1146 3.1146 3.1146
3.1369 3.1369 3.3066 3.3066 3.4077 3.4077 3.4300 3.4368
4.1654 4.1654 4.3405 4.3675 4.3675 4.3928 4.3959 4.3959
4.4769 4.4913 4.4913 4.5063 4.7174 4.7174 4.7309 4.8018
4.8018 4.8247 4.9254 4.9254 5.0140 5.0161 5.0286 5.0286
6.4318 6.4318 6.4772 6.4857 6.4978 6.4978 8.6662 8.7057
8.7057 8.7546 9.2144 9.2144 9.3477 9.3477 9.3535 9.4271
10.5091 10.5091 10.6138 10.6502
k = 0.4592 0.4592 0.4592 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4175 -6.4175 -6.3527 -6.3527 -6.2676 -6.2676 -6.2669 -6.2662
1.4061 1.4061 1.5157 1.5157 1.5228 1.5405 1.6049 1.6049
2.9702 2.9814 2.9814 2.9902 3.1182 3.1183 3.1194 3.1194
3.1363 3.1363 3.3105 3.3105 3.4111 3.4111 3.4265 3.4318
4.1653 4.1653 4.3544 4.3701 4.3701 4.3959 4.3959 4.3999
4.4795 4.4900 4.4900 4.5021 4.7217 4.7217 4.7349 4.7938
4.7938 4.8141 4.9251 4.9251 5.0063 5.0093 5.0182 5.0182
6.4510 6.4510 6.5002 6.5074 6.5145 6.5145 8.6819 8.7165
8.7165 8.7575 9.2153 9.2153 9.3275 9.3275 9.3295 9.3920
10.5361 10.5361 10.6008 10.6314
k = 0.4694 0.4694 0.4694 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4110 -6.4110 -6.3551 -6.3551 -6.2687 -6.2687 -6.2683 -6.2678
1.4018 1.4018 1.5170 1.5170 1.5225 1.5358 1.5867 1.5867
2.9785 2.9868 2.9868 2.9935 3.1210 3.1212 3.1224 3.1224
3.1367 3.1367 3.3124 3.3124 3.4150 3.4150 3.4238 3.4277
4.1651 4.1651 4.3675 4.3717 4.3717 4.3965 4.3965 4.4043
4.4815 4.4888 4.4888 4.4976 4.7269 4.7269 4.7407 4.7854
4.7854 4.8028 4.9260 4.9260 5.0004 5.0035 5.0088 5.0088
6.4662 6.4662 6.5192 6.5247 6.5280 6.5280 8.6982 8.7262
8.7262 8.7582 9.2124 9.2124 9.3100 9.3125 9.3125 9.3596
10.5595 10.5595 10.5928 10.6177
k = 0.4796 0.4796 0.4796 ( 6482 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7125 -25.7125 -25.7124 -25.7124
-6.4062 -6.4062 -6.3570 -6.3570 -6.2694 -6.2694 -6.2693 -6.2690
1.3988 1.3988 1.5200 1.5200 1.5230 1.5318 1.5715 1.5715
2.9853 2.9906 2.9906 2.9953 3.1230 3.1232 3.1239 3.1239
3.1375 3.1375 3.3133 3.3133 3.4183 3.4183 3.4220 3.4246
4.1648 4.1648 4.3725 4.3725 4.3796 4.3973 4.3973 4.4056
4.4833 4.4879 4.4879 4.4933 4.7324 4.7324 4.7483 4.7773
4.7773 4.7910 4.9276 4.9276 4.9964 4.9989 5.0011 5.0011
6.4771 6.4771 6.5334 6.5372 6.5380 6.5380 8.7141 8.7341
8.7341 8.7561 9.2070 9.2070 9.2972 9.3032 9.3032 9.3319
10.5776 10.5776 10.5889 10.6070
k = 0.4898 0.4898 0.4898 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4032 -6.4032 -6.3583 -6.3583 -6.2699 -6.2699 -6.2699 -6.2697
1.3969 1.3969 1.5238 1.5238 1.5241 1.5285 1.5603 1.5603
2.9904 2.9930 2.9930 2.9954 3.1242 3.1243 3.1245 3.1245
3.1384 3.1384 3.3136 3.3136 3.4206 3.4206 3.4212 3.4225
4.1646 4.1646 4.3729 4.3729 4.3900 4.3979 4.3979 4.4035
4.4851 4.4873 4.4873 4.4899 4.7374 4.7374 4.7575 4.7707
4.7707 4.7792 4.9290 4.9290 4.9943 4.9957 4.9960 4.9960
6.4838 6.4838 6.5426 6.5442 6.5442 6.5445 8.7288 8.7393
8.7393 8.7504 9.2020 9.2020 9.2927 9.2985 9.2985 9.3106
10.5886 10.5886 10.5888 10.5979
k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4022 -6.4022 -6.3587 -6.3587 -6.2700 -6.2700 -6.2700 -6.2700
1.3963 1.3963 1.5259 1.5259 1.5259 1.5259 1.5557 1.5557
2.9938 2.9938 2.9938 2.9938 3.1246 3.1246 3.1246 3.1246
3.1388 3.1388 3.3137 3.3137 3.4214 3.4214 3.4214 3.4214
4.1646 4.1646 4.3730 4.3730 4.3982 4.3982 4.3982 4.3982
4.4872 4.4872 4.4872 4.4872 4.7397 4.7397 4.7679 4.7679
4.7679 4.7679 4.9296 4.9296 4.9941 4.9941 4.9941 4.9941
6.4860 6.4860 6.5463 6.5463 6.5463 6.5463 8.7412 8.7412
8.7412 8.7412 9.2000 9.2000 9.2972 9.2972 9.2972 9.2972
10.5918 10.5918 10.5918 10.5918
k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4022 -6.4022 -6.3587 -6.3587 -6.2700 -6.2700 -6.2700 -6.2700
1.3963 1.3963 1.5259 1.5259 1.5259 1.5259 1.5557 1.5557
2.9938 2.9938 2.9938 2.9938 3.1246 3.1246 3.1246 3.1246
3.1388 3.1388 3.3137 3.3137 3.4214 3.4214 3.4214 3.4214
4.1646 4.1646 4.3730 4.3730 4.3982 4.3982 4.3982 4.3982
4.4872 4.4872 4.4872 4.4872 4.7397 4.7397 4.7679 4.7679
4.7679 4.7679 4.9296 4.9296 4.9941 4.9941 4.9941 4.9941
6.4860 6.4860 6.5463 6.5463 6.5463 6.5463 8.7412 8.7412
8.7412 8.7412 9.2000 9.2000 9.2972 9.2972 9.2972 9.2972
10.5918 10.5918 10.5918 10.5918
k = 0.4875 0.5000 0.4875 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4032 -6.4032 -6.3583 -6.3582 -6.2700 -6.2699 -6.2698 -6.2696
1.3969 1.3969 1.5229 1.5244 1.5246 1.5285 1.5602 1.5603
2.9905 2.9923 2.9936 2.9953 3.1240 3.1241 3.1246 3.1248
3.1384 3.1385 3.3136 3.3136 3.4204 3.4208 3.4212 3.4224
4.1646 4.1646 4.3729 4.3729 4.3903 4.3961 4.3996 4.4035
4.4851 4.4868 4.4879 4.4898 4.7372 4.7376 4.7581 4.7679
4.7733 4.7790 4.9290 4.9291 4.9943 4.9954 4.9959 4.9963
6.4837 6.4838 6.5425 6.5440 6.5440 6.5449 8.7289 8.7367
8.7420 8.7502 9.2019 9.2022 9.2927 9.2966 9.3009 9.3101
10.5873 10.5889 10.5907 10.5969
k = 0.4750 0.5000 0.4750 ( 6484 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3630 -25.7125 -25.7125 -25.7124 -25.7124
-6.4062 -6.4060 -6.3573 -6.3568 -6.2699 -6.2695 -6.2689 -6.2688
1.3987 1.3988 1.5182 1.5208 1.5240 1.5319 1.5711 1.5717
2.9855 2.9893 2.9919 2.9951 3.1218 3.1225 3.1243 3.1251
3.1372 3.1381 3.3130 3.3137 3.4178 3.4192 3.4219 3.4242
4.1648 4.1648 4.3725 4.3725 4.3802 4.3936 4.3997 4.4062
4.4832 4.4869 4.4888 4.4934 4.7310 4.7329 4.7502 4.7721
4.7820 4.7906 4.9273 4.9279 4.9961 4.9982 5.0014 5.0017
6.4770 6.4771 6.5330 6.5361 6.5381 6.5397 8.7136 8.7296
8.7386 8.7565 9.2060 9.2086 9.2964 9.3008 9.3065 9.3311
10.5760 10.5842 10.5884 10.5995
k = 0.4625 0.5000 0.4625 ( 6448 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4111 -6.4105 -6.3559 -6.3545 -6.2700 -6.2687 -6.2675 -6.2673
1.4016 1.4021 1.5142 1.5180 1.5245 1.5363 1.5859 1.5871
2.9789 2.9849 2.9886 2.9933 3.1178 3.1197 3.1233 3.1252
3.1357 3.1386 3.3114 3.3138 3.4136 3.4170 3.4236 3.4269
4.1651 4.1652 4.3677 4.3718 4.3726 4.3911 4.3979 4.4076
4.4813 4.4875 4.4898 4.4978 4.7234 4.7276 4.7445 4.7781
4.7924 4.8022 4.9253 4.9270 4.9996 5.0023 5.0094 5.0098
6.4656 6.4659 6.5181 6.5228 6.5287 6.5310 8.6960 8.7208
8.7314 8.7605 9.2096 9.2188 9.3058 9.3132 9.3132 9.3590
10.5596 10.5715 10.5902 10.6013
k = 0.4500 0.5000 0.4500 ( 6456 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4176 -6.4165 -6.3545 -6.3516 -6.2702 -6.2676 -6.2654 -6.2653
1.4055 1.4066 1.5115 1.5168 1.5260 1.5417 1.6033 1.6055
2.9708 2.9791 2.9839 2.9900 3.1117 3.1154 3.1210 3.1244
3.1350 3.1402 3.3080 3.3137 3.4078 3.4148 3.4262 3.4303
4.1652 4.1655 4.3549 4.3704 4.3712 4.3886 4.3933 4.4087
4.4791 4.4882 4.4908 4.5025 4.7156 4.7221 4.7411 4.7848
4.8034 4.8132 4.9237 4.9270 5.0050 5.0077 5.0184 5.0202
6.4494 6.4501 6.4984 6.5046 6.5162 6.5193 8.6771 8.7108
8.7213 8.7626 9.2107 9.2318 9.3190 9.3203 9.3343 9.3920
10.5403 10.5544 10.5939 10.6045
k = 0.4375 0.5000 0.4375 ( 6480 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4254 -6.4237 -6.3532 -6.3481 -6.2706 -6.2659 -6.2627 -6.2627
1.4104 1.4124 1.5103 1.5174 1.5286 1.5481 1.6231 1.6263
2.9614 2.9720 2.9779 2.9853 3.1038 3.1095 3.1176 3.1220
3.1357 3.1428 3.3021 3.3131 3.4009 3.4134 3.4298 3.4345
4.1652 4.1656 4.3411 4.3683 4.3693 4.3863 4.3866 4.4098
4.4767 4.4890 4.4916 4.5070 4.7084 4.7168 4.7398 4.7916
4.8145 4.8235 4.9229 4.9282 5.0124 5.0143 5.0278 5.0319
6.4286 6.4297 6.4748 6.4824 6.5010 6.5048 8.6580 8.7000
8.7096 8.7628 9.2087 9.2467 9.3268 9.3359 9.3610 9.4282
10.5202 10.5352 10.5996 10.6096
k = 0.4250 0.5000 0.4250 ( 6464 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4344 -6.4321 -6.3522 -6.3441 -6.2713 -6.2638 -6.2595 -6.2593
1.4163 1.4194 1.5107 1.5198 1.5325 1.5556 1.6448 1.6494
2.9508 2.9638 2.9708 2.9795 3.0945 3.1020 3.1132 3.1184
3.1378 3.1463 3.2934 3.3115 3.3935 3.4135 3.4344 3.4395
4.1649 4.1657 4.3273 4.3653 4.3665 4.3779 4.3856 4.4114
4.4743 4.4900 4.4927 4.5110 4.7023 4.7120 4.7403 4.7984
4.8251 4.8332 4.9233 4.9310 5.0218 5.0221 5.0374 5.0443
6.4034 6.4049 6.4482 6.4568 6.4834 6.4878 8.6396 8.6888
8.6975 8.7615 9.2039 9.2624 9.3324 9.3555 9.3900 9.4654
10.5010 10.5159 10.6076 10.6169
k = 0.4125 0.5000 0.4125 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4444 -6.4416 -6.3516 -6.3399 -6.2722 -6.2612 -6.2557 -6.2552
1.4231 1.4274 1.5126 1.5238 1.5377 1.5642 1.6682 1.6745
2.9393 2.9547 2.9627 2.9728 3.0839 3.0932 3.1079 3.1141
3.1405 3.1503 3.2815 3.3077 3.3867 3.4152 3.4399 3.4453
4.1642 4.1652 4.3135 4.3608 4.3629 4.3691 4.3853 4.4133
4.4719 4.4908 4.4936 4.5143 4.6975 4.7078 4.7425 4.8049
4.8340 4.8431 4.9247 4.9352 5.0310 5.0329 5.0464 5.0572
6.3745 6.3763 6.4193 6.4286 6.4635 6.4685 8.6225 8.6772
8.6858 8.7587 9.1961 9.2775 9.3367 9.3767 9.4186 9.5019
10.4840 10.4980 10.6186 10.6269
k = 0.4000 0.5000 0.4000 ( 6462 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7122 -25.7122
-6.4553 -6.4520 -6.3514 -6.3355 -6.2733 -6.2581 -6.2512 -6.2506
1.4305 1.4362 1.5160 1.5293 1.5442 1.5741 1.6930 1.7012
2.9270 2.9448 2.9538 2.9653 3.0726 3.0833 3.1018 3.1092
3.1437 3.1547 3.2666 3.3008 3.3816 3.4186 3.4464 3.4518
4.1629 4.1641 4.3004 4.3534 4.3589 4.3621 4.3855 4.4154
4.4695 4.4917 4.4945 4.5169 4.6942 4.7042 4.7461 4.8111
4.8409 4.8536 4.9270 4.9406 5.0410 5.0450 5.0546 5.0706
6.3429 6.3447 6.3887 6.3983 6.4414 6.4468 8.6071 8.6655
8.6751 8.7547 9.1854 9.2900 9.3396 9.3979 9.4448 9.5359
10.4703 10.4830 10.6331 10.6403
k = 0.3875 0.5000 0.3875 ( 6470 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7122 -25.7122
-6.4670 -6.4634 -6.3518 -6.3311 -6.2745 -6.2544 -6.2461 -6.2453
1.4387 1.4451 1.5210 1.5360 1.5521 1.5851 1.7188 1.7294
2.9140 2.9342 2.9443 2.9571 3.0607 3.0724 3.0951 3.1040
3.1472 3.1594 3.2493 3.2901 3.3790 3.4236 3.4537 3.4590
4.1608 4.1619 4.2883 4.3437 4.3545 4.3569 4.3861 4.4177
4.4673 4.4924 4.4954 4.5186 4.6925 4.7015 4.7508 4.8167
4.8464 4.8639 4.9298 4.9470 5.0515 5.0568 5.0621 5.0852
6.3096 6.3112 6.3570 6.3665 6.4171 6.4227 8.5935 8.6539
8.6657 8.7498 9.1718 9.2971 9.3423 9.4175 9.4674 9.5664
10.4608 10.4718 10.6520 10.6578
k = 0.3750 0.5000 0.3750 ( 6486 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7122 -25.7122
-6.4794 -6.4756 -6.3527 -6.3269 -6.2755 -6.2502 -6.2404 -6.2394
1.4472 1.4539 1.5277 1.5437 1.5615 1.5975 1.7455 1.7586
2.9006 2.9231 2.9341 2.9485 3.0484 3.0607 3.0880 3.0984
3.1510 3.1645 3.2299 3.2756 3.3791 3.4299 3.4617 3.4667
4.1575 4.1583 4.2776 4.3337 4.3501 4.3521 4.3867 4.4200
4.4653 4.4929 4.4960 4.5197 4.6924 4.6996 4.7564 4.8218
4.8510 4.8736 4.9332 4.9541 5.0607 5.0668 5.0703 5.1018
6.2754 6.2767 6.3246 6.3337 6.3907 6.3965 8.5818 8.6426
8.6577 8.7441 9.1550 9.2964 9.3457 9.4340 9.4857 9.5923
10.4560 10.4654 10.6760 10.6801
k = 0.3625 0.5000 0.3625 ( 6458 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7123 -25.7123 -25.7121 -25.7121
-6.4924 -6.4884 -6.3542 -6.3234 -6.2759 -6.2454 -6.2341 -6.2330
1.4559 1.4617 1.5366 1.5524 1.5723 1.6110 1.7726 1.7886
2.8868 2.9118 2.9237 2.9396 3.0361 3.0486 3.0809 3.0924
3.1550 3.1698 3.2093 3.2581 3.3814 3.4373 3.4705 3.4750
4.1532 4.1534 4.2686 4.3245 4.3459 4.3475 4.3872 4.4225
4.4637 4.4934 4.4966 4.5202 4.6941 4.6988 4.7630 4.8264
4.8554 4.8824 4.9369 4.9614 5.0655 5.0741 5.0822 5.1205
6.2414 6.2423 6.2920 6.3005 6.3623 6.3681 8.5720 8.6316
8.6511 8.7379 9.1353 9.2876 9.3489 9.4461 9.4994 9.6132
10.4562 10.4641 10.7055 10.7080
k = 0.3500 0.5000 0.3500 ( 6454 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7123 -25.7123 -25.7120 -25.7120
-6.5060 -6.5020 -6.3563 -6.3211 -6.2752 -6.2400 -6.2272 -6.2261
1.4645 1.4682 1.5476 1.5621 1.5844 1.6257 1.7999 1.8190
2.8727 2.9002 2.9129 2.9304 3.0240 3.0359 3.0738 3.0859
3.1591 3.1753 3.1885 3.2381 3.3854 3.4456 3.4799 3.4838
4.1467 4.1474 4.2614 4.3161 4.3417 4.3432 4.3874 4.4249
4.4627 4.4938 4.4969 4.5200 4.6975 4.6990 4.7703 4.8303
4.8596 4.8900 4.9410 4.9686 5.0667 5.0785 5.0966 5.1412
6.2082 6.2085 6.2594 6.2671 6.3320 6.3377 8.5641 8.6213
8.6457 8.7313 9.1129 9.2720 9.3498 9.4527 9.5088 9.6289
10.4612 10.4681 10.7411 10.7418
k = 0.3375 0.5000 0.3375 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7123 -25.7123 -25.7120 -25.7119
-6.5200 -6.5160 -6.3590 -6.3205 -6.2729 -6.2341 -6.2198 -6.2187
1.4727 1.4731 1.5607 1.5726 1.5978 1.6414 1.8269 1.8494
2.8585 2.8887 2.9019 2.9211 3.0121 3.0231 3.0671 3.0783
3.1613 3.1706 3.1810 3.2166 3.3908 3.4548 3.4899 3.4929
4.1385 4.1403 4.2559 4.3087 4.3376 4.3393 4.3872 4.4272
4.4622 4.4939 4.4971 4.5194 4.7003 4.7026 4.7784 4.8334
4.8637 4.8960 4.9456 4.9752 5.0651 5.0798 5.1125 5.1631
6.1760 6.1763 6.2272 6.2339 6.3003 6.3056 8.5579 8.6116
8.6413 8.7245 9.0884 9.2508 9.3469 9.4531 9.5141 9.6394
10.4710 10.4773 10.7819 10.7829
k = 0.3250 0.5000 0.3250 ( 6452 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7122 -25.7122 -25.7119 -25.7119
-6.5344 -6.5305 -6.3622 -6.3216 -6.2689 -6.2277 -6.2119 -6.2109
1.4764 1.4801 1.5756 1.5841 1.6124 1.6579 1.8533 1.8793
2.8443 2.8774 2.8908 2.9118 3.0007 3.0101 3.0608 3.0683
3.1491 3.1700 3.1865 3.1944 3.3972 3.4648 3.5004 3.5025
4.1291 4.1319 4.2518 4.3024 4.3337 4.3359 4.3864 4.4293
4.4625 4.4939 4.4971 4.5182 4.7029 4.7091 4.7872 4.8358
4.8680 4.9004 4.9508 4.9810 5.0611 5.0783 5.1295 5.1860
6.1448 6.1461 6.1958 6.2014 6.2675 6.2722 8.5532 8.6028
8.6370 8.7180 9.0624 9.2249 9.3398 9.4473 9.5154 9.6451
10.4852 10.4914 10.8283 10.8307
k = 0.3125 0.5000 0.3125 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7122 -25.7122 -25.7118 -25.7118
-6.5491 -6.5453 -6.3659 -6.3244 -6.2633 -6.2209 -6.2037 -6.2028
1.4782 1.4864 1.5917 1.5965 1.6280 1.6750 1.8789 1.9083
2.8303 2.8665 2.8798 2.9026 2.9899 2.9972 3.0546 3.0550
3.1367 3.1713 3.1746 3.1932 3.4045 3.4755 3.5114 3.5124
4.1189 4.1224 4.2490 4.2971 4.3300 4.3334 4.3849 4.4312
4.4636 4.4938 4.4970 4.5166 4.7065 4.7169 4.7969 4.8374
4.8725 4.9031 4.9565 4.9855 5.0550 5.0739 5.1476 5.2096
6.1148 6.1174 6.1656 6.1698 6.2344 6.2382 8.5497 8.5951
8.6321 8.7121 9.0360 9.1952 9.3281 9.4357 9.5131 9.6462
10.5033 10.5097 10.8807 10.8842
k = 0.3000 0.5000 0.3000 ( 6436 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7122 -25.7122 -25.7117 -25.7117
-6.5639 -6.5603 -6.3700 -6.3285 -6.2565 -6.2137 -6.1951 -6.1943
1.4786 1.4914 1.6088 1.6099 1.6445 1.6924 1.9032 1.9361
2.8167 2.8562 2.8689 2.8936 2.9796 2.9843 3.0368 3.0492
3.1297 3.1500 3.1797 3.1993 3.4126 3.4869 3.5226 3.5229
4.1082 4.1120 4.2469 4.2923 4.3263 4.3317 4.3826 4.4328
4.4654 4.4935 4.4968 4.5147 4.7113 4.7258 4.8073 4.8381
4.8769 4.9044 4.9626 4.9884 5.0474 5.0670 5.1665 5.2335
6.0853 6.0895 6.1366 6.1393 6.2019 6.2048 8.5469 8.5888
8.6251 8.7078 9.0101 9.1624 9.3121 9.4188 9.5074 9.6434
10.5245 10.5316 10.9385 10.9427
k = 0.2875 0.5000 0.2875 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7121 -25.7121 -25.7117 -25.7117
-6.5789 -6.5755 -6.3745 -6.3335 -6.2488 -6.2061 -6.1862 -6.1855
1.4777 1.4948 1.6240 1.6262 1.6616 1.7100 1.9261 1.9623
2.8035 2.8466 2.8582 2.8849 2.9699 2.9714 3.0161 3.0422
3.1278 3.1316 3.1851 3.2055 3.4215 3.4990 3.5330 3.5349
4.0973 4.1010 4.2452 4.2879 4.3227 4.3310 4.3795 4.4340
4.4681 4.4931 4.4965 4.5125 4.7169 4.7354 4.8184 4.8378
4.8813 4.9043 4.9692 4.9889 5.0395 5.0577 5.1860 5.2576
6.0550 6.0609 6.1092 6.1103 6.1716 6.1734 8.5441 8.5843
8.6144 8.7059 8.9858 9.1275 9.2920 9.3972 9.4987 9.6372
10.5484 10.5566 11.0012 11.0056
k = 0.2750 0.5000 0.2750 ( 6436 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7121 -25.7121 -25.7116 -25.7116
-6.5940 -6.5907 -6.3794 -6.3392 -6.2405 -6.1983 -6.1770 -6.1765
1.4756 1.4965 1.6389 1.6438 1.6791 1.7274 1.9474 1.9865
2.7910 2.8379 2.8479 2.8765 2.9580 2.9607 2.9946 3.0321
3.1185 3.1299 3.1908 3.2119 3.4312 3.5118 3.5438 3.5473
4.0865 4.0897 4.2440 4.2838 4.3191 4.3312 4.3758 4.4348
4.4715 4.4925 4.4962 4.5102 4.7232 4.7454 4.8298 4.8369
4.8852 4.9037 4.9761 4.9855 5.0333 5.0466 5.2060 5.2817
6.0226 6.0296 6.0835 6.0836 6.1451 6.1458 8.5404 8.5823
8.5990 8.7070 8.9643 9.0914 9.2684 9.3717 9.4873 9.6281
10.5741 10.5836 11.0678 11.0720
k = 0.2625 0.5000 0.2625 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7121 -25.7121 -25.7115 -25.7115
-6.6089 -6.6059 -6.3845 -6.3453 -6.2318 -6.1903 -6.1677 -6.1673
1.4723 1.4964 1.6542 1.6612 1.6968 1.7443 1.9669 2.0087
2.7794 2.8300 2.8379 2.8686 2.9432 2.9521 2.9745 3.0176
3.1124 3.1351 3.1966 3.2182 3.4417 3.5254 3.5547 3.5602
4.0760 4.0782 4.2428 4.2799 4.3155 4.3322 4.3715 4.4351
4.4754 4.4918 4.4959 4.5080 4.7298 4.7555 4.8331 4.8431
4.8877 4.9034 4.9774 4.9832 5.0306 5.0341 5.2263 5.3056
5.9868 5.9940 6.0594 6.0598 6.1232 6.1235 8.5350 8.5785
8.5830 8.7112 8.9462 9.0552 9.2418 9.3427 9.4738 9.6166
10.6009 10.6122 11.1376 11.1408
k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7121 -25.7121 -25.7115 -25.7115
-6.6238 -6.6210 -6.3897 -6.3519 -6.2226 -6.1821 -6.1583 -6.1580
1.4678 1.4947 1.6697 1.6784 1.7142 1.7606 1.9845 2.0285
2.7689 2.8232 2.8283 2.8612 2.9259 2.9440 2.9579 2.9993
3.1131 3.1427 3.2026 3.2247 3.4530 3.5397 3.5660 3.5736
4.0659 4.0667 4.2417 4.2762 4.3119 4.3338 4.3667 4.4347
4.4797 4.4910 4.4957 4.5061 4.7363 4.7651 4.8299 4.8548
4.8872 4.9054 4.9654 4.9899 5.0216 5.0315 5.2469 5.3292
5.9475 5.9538 6.0380 6.0381 6.1059 6.1068 8.5275 8.5532
8.5862 8.7180 8.9322 9.0200 9.2126 9.3110 9.4586 9.6031
10.6282 10.6414 11.2096 11.2112
k = 0.2375 0.5000 0.2375 ( 6450 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7121 -25.7120 -25.7114 -25.7114
-6.6384 -6.6359 -6.3951 -6.3587 -6.2133 -6.1739 -6.1488 -6.1486
1.4622 1.4912 1.6853 1.6950 1.7312 1.7759 2.0003 2.0459
2.7595 2.8174 2.8192 2.8543 2.9068 2.9365 2.9451 2.9789
3.1190 3.1523 3.2089 3.2311 3.4653 3.5548 3.5775 3.5876
4.0555 4.0563 4.2406 4.2727 4.3083 4.3357 4.3616 4.4336
4.4837 4.4907 4.4955 4.5046 4.7422 4.7736 4.8259 4.8658
4.8841 4.9093 4.9516 4.9927 5.0133 5.0355 5.2675 5.3524
5.9053 5.9100 6.0185 6.0194 6.0933 6.0946 8.5176 8.5239
8.5917 8.7268 8.9222 8.9870 9.1816 9.2772 9.4421 9.5882
10.6552 10.6706 11.2822 11.2828
k = 0.2250 0.5000 0.2250 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7120 -25.7120 -25.7113 -25.7113
-6.6528 -6.6506 -6.4006 -6.3656 -6.2039 -6.1656 -6.1393 -6.1393
1.4556 1.4860 1.7006 1.7110 1.7474 1.7900 2.0142 2.0610
2.7514 2.8104 2.8128 2.8479 2.8875 2.9292 2.9350 2.9579
3.1285 3.1632 3.2153 3.2376 3.4785 3.5706 3.5894 3.6021
4.0445 4.0472 4.2393 4.2695 4.3048 4.3379 4.3564 4.4316
4.4855 4.4925 4.4956 4.5037 4.7468 4.7792 4.8229 4.8739
4.8795 4.9142 4.9387 4.9854 5.0164 5.0418 5.2882 5.3750
5.8607 5.8635 6.0014 6.0030 6.0846 6.0861 8.4915 8.5051
8.5987 8.7374 8.9159 8.9572 9.1492 9.2418 9.4247 9.5720
10.6813 10.6990 11.3528 11.3563
k = 0.2125 0.5000 0.2125 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7120 -25.7120 -25.7112 -25.7112
-6.6669 -6.6648 -6.4060 -6.3727 -6.1943 -6.1575 -6.1300 -6.1299
1.4480 1.4794 1.7156 1.7262 1.7625 1.8028 2.0264 2.0738
2.7446 2.8018 2.8092 2.8417 2.8700 2.9220 2.9265 2.9378
3.1406 3.1753 3.2219 3.2440 3.4928 3.5871 3.6016 3.6172
4.0338 4.0387 4.2378 4.2664 4.3015 4.3401 4.3512 4.4288
4.4846 4.4959 4.4970 4.5034 4.7495 4.7792 4.8234 4.8739
4.8756 4.9190 4.9307 4.9749 5.0252 5.0504 5.3086 5.3966
5.8146 5.8154 5.9867 5.9892 6.0789 6.0803 8.4568 8.4895
8.6071 8.7492 8.9131 8.9319 9.1161 9.2054 9.4067 9.5548
10.7059 10.7260 11.4219 11.4292
k = 0.2000 0.5000 0.2000 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7120 -25.7120 -25.7112 -25.7112
-6.6805 -6.6787 -6.4114 -6.3797 -6.1848 -6.1495 -6.1208 -6.1207
1.4395 1.4713 1.7298 1.7405 1.7765 1.8142 2.0369 2.0845
2.7391 2.7935 2.8068 2.8348 2.8559 2.9122 2.9193 2.9218
3.1543 3.1879 3.2286 3.2503 3.5081 3.6041 3.6144 3.6330
4.0236 4.0307 4.2361 4.2637 4.2985 4.3422 4.3461 4.4253
4.4827 4.4966 4.5021 4.5036 4.7498 4.7727 4.8284 4.8675
4.8684 4.9227 4.9308 4.9668 5.0359 5.0610 5.3286 5.4170
5.7661 5.7676 5.9747 5.9780 6.0755 6.0767 8.4210 8.4705
8.6165 8.7618 8.9118 8.9131 9.0826 9.1687 9.3882 9.5369
10.7284 10.7510 11.4887 11.5004
k = 0.1875 0.5000 0.1875 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7111 -25.7111
-6.6936 -6.6921 -6.4167 -6.3867 -6.1754 -6.1416 -6.1118 -6.1116
1.4304 1.4621 1.7433 1.7537 1.7892 1.8241 2.0460 2.0931
2.7349 2.7851 2.8053 2.8262 2.8468 2.8965 2.9130 2.9137
3.1689 3.2008 3.2354 3.2565 3.5244 3.6209 3.6284 3.6494
4.0139 4.0233 4.2341 4.2612 4.2960 4.3414 4.3441 4.4211
4.4802 4.4977 4.5043 4.5072 4.7474 4.7614 4.8345 4.8564
4.8597 4.9246 4.9367 4.9637 5.0477 5.0732 5.3480 5.4359
5.7162 5.7203 5.9654 5.9697 6.0738 6.0749 8.3848 8.4481
8.6266 8.7749 8.8974 8.9154 9.0494 9.1323 9.3695 9.5184
10.7482 10.7733 11.5519 11.5689
k = 0.1750 0.5000 0.1750 ( 6454 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7110 -25.7110
-6.7062 -6.7049 -6.4218 -6.3936 -6.1662 -6.1340 -6.1030 -6.1028
1.4207 1.4518 1.7558 1.7656 1.8005 1.8325 2.0537 2.0998
2.7318 2.7769 2.8047 2.8170 2.8419 2.8804 2.9077 2.9083
3.1837 3.2135 3.2423 3.2625 3.5417 3.6361 3.6448 3.6665
4.0046 4.0163 4.2318 4.2591 4.2941 4.3371 4.3456 4.4166
4.4771 4.4991 4.5053 4.5122 4.7423 4.7474 4.8291 4.8499
4.8544 4.9255 4.9452 4.9661 5.0603 5.0864 5.3664 5.4528
5.6663 5.6730 5.9591 5.9645 6.0735 6.0743 8.3488 8.4225
8.6371 8.7878 8.8887 8.9195 9.0169 9.0971 9.3509 9.4994
10.7651 10.7926 11.6104 11.6336
k = 0.1625 0.5000 0.1625 ( 6448 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7110 -25.7110
-6.7182 -6.7171 -6.4267 -6.4003 -6.1571 -6.1268 -6.0946 -6.0943
1.4106 1.4408 1.7671 1.7762 1.8105 1.8395 2.0601 2.1047
2.7299 2.7690 2.8048 2.8086 2.8394 2.8660 2.9033 2.9038
3.1984 3.2257 3.2494 3.2683 3.5598 3.6500 3.6633 3.6842
3.9958 4.0098 4.2294 4.2573 4.2931 4.3332 4.3467 4.4120
4.4735 4.5008 4.5065 4.5169 4.7316 4.7348 4.8116 4.8377
4.8638 4.9275 4.9548 4.9721 5.0735 5.1002 5.3834 5.4673
5.6169 5.6263 5.9561 5.9627 6.0741 6.0747 8.3138 8.3945
8.6478 8.7998 8.8855 8.9249 8.9858 9.0640 9.3324 9.4801
10.7785 10.8083 11.6627 11.6931
k = 0.1500 0.5000 0.1500 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7109 -25.7109
-6.7296 -6.7286 -6.4314 -6.4068 -6.1484 -6.1199 -6.0865 -6.0861
1.4003 1.4292 1.7772 1.7853 1.8193 1.8452 2.0655 2.1082
2.7291 2.7620 2.8016 2.8052 2.8383 2.8540 2.8996 2.9000
3.2125 3.2370 3.2564 3.2738 3.5786 3.6634 3.6826 3.7024
3.9874 4.0034 4.2272 4.2557 4.2929 4.3297 4.3473 4.4074
4.4691 4.5026 4.5076 4.5212 4.7149 4.7255 4.7915 4.8234
4.8757 4.9317 4.9651 4.9801 5.0870 5.1138 5.3984 5.4786
5.5685 5.5807 5.9563 5.9643 6.0755 6.0758 8.2803 8.3646
8.6582 8.8094 8.8871 8.9311 8.9567 9.0347 9.3143 9.4605
10.7884 10.8201 11.7070 11.7456
k = 0.1375 0.5000 0.1375 ( 6452 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7108 -25.7108
-6.7402 -6.7394 -6.4357 -6.4131 -6.1399 -6.1135 -6.0788 -6.0784
1.3900 1.4173 1.7859 1.7929 1.8271 1.8499 2.0698 2.1102
2.7290 2.7563 2.7958 2.8053 2.8380 2.8446 2.8966 2.8969
3.2258 3.2473 3.2636 3.2790 3.5979 3.6768 3.7023 3.7210
3.9794 3.9972 4.2254 4.2546 4.2935 4.3269 4.3475 4.4030
4.4640 4.5040 4.5089 4.5251 4.6979 4.7151 4.7703 4.8074
4.8886 4.9384 4.9761 4.9895 5.1005 5.1270 5.4110 5.4847
5.5232 5.5366 5.9601 5.9694 6.0773 6.0775 8.2486 8.3337
8.6678 8.8148 8.8926 8.9304 8.9375 9.0110 9.2968 9.4407
10.7946 10.8278 11.7406 11.7880
k = 0.1250 0.5000 0.1250 ( 6480 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7119 -25.7119 -25.7108 -25.7108
-6.7501 -6.7494 -6.4397 -6.4190 -6.1319 -6.1075 -6.0716 -6.0711
1.3799 1.4053 1.7933 1.7990 1.8339 1.8537 2.0732 2.1110
2.7298 2.7521 2.7909 2.8047 2.8382 2.8384 2.8943 2.8944
3.2379 3.2564 3.2707 3.2838 3.6173 3.6900 3.7220 3.7399
3.9718 3.9908 4.2243 4.2537 4.2949 4.3246 4.3473 4.3990
4.4580 4.5042 4.5107 4.5285 4.6812 4.7039 4.7485 4.7902
4.9022 4.9471 4.9876 4.9996 5.1136 5.1391 5.4202 5.4666
5.4948 5.5004 5.9673 5.9778 6.0795 6.0795 8.2191 8.3027
8.6759 8.8139 8.8996 8.9095 8.9439 8.9953 9.2800 9.4207
10.7972 10.8313 11.7594 11.8115
k = 0.1125 0.5000 0.1125 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7107 -25.7107
-6.7592 -6.7586 -6.4434 -6.4246 -6.1244 -6.1021 -6.0648 -6.0644
1.3702 1.3935 1.7992 1.8037 1.8399 1.8567 2.0760 2.1107
2.7312 2.7495 2.7867 2.8028 2.8350 2.8391 2.8924 2.8928
3.2490 3.2643 3.2777 3.2883 3.6367 3.7031 3.7415 3.7588
3.9646 3.9843 4.2245 4.2532 4.2970 4.3231 4.3469 4.3955
4.4514 4.5026 4.5136 4.5315 4.6656 4.6926 4.7265 4.7722
4.9164 4.9575 4.9998 5.0104 5.1261 5.1500 5.4229 5.4253
5.4589 5.4994 5.9776 5.9890 6.0817 6.0819 8.1922 8.2722
8.6817 8.8052 8.8883 8.9143 8.9501 8.9883 9.2642 9.4007
10.7964 10.8307 11.7586 11.7994
k = 0.1000 0.5000 0.1000 ( 6482 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7107 -25.7107
-6.7674 -6.7669 -6.4466 -6.4298 -6.1173 -6.0973 -6.0587 -6.0583
1.3610 1.3821 1.8038 1.8071 1.8452 1.8593 2.0781 2.1096
2.7330 2.7484 2.7830 2.7998 2.8343 2.8400 2.8910 2.8918
3.2589 3.2712 3.2842 3.2923 3.6557 3.7157 3.7606 3.7774
3.9576 3.9775 4.2259 4.2529 4.2998 4.3223 4.3462 4.3922
4.4440 4.4988 4.5173 4.5342 4.6515 4.6814 4.7045 4.7535
4.9310 4.9692 5.0122 5.0217 5.1376 5.1593 5.3838 5.4043
5.4437 5.4978 5.9905 6.0023 6.0840 6.0845 8.1682 8.2429
8.6844 8.7900 8.8762 8.9273 8.9561 8.9888 9.2498 9.3806
10.7926 10.8263 11.7403 11.7643
k = 0.0875 0.5000 0.0875 ( 6466 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7107 -25.7107
-6.7748 -6.7744 -6.4493 -6.4346 -6.1108 -6.0931 -6.0531 -6.0528
1.3527 1.3714 1.8072 1.8095 1.8498 1.8614 2.0798 2.1078
2.7354 2.7488 2.7797 2.7965 2.8351 2.8410 2.8902 2.8914
3.2677 3.2772 3.2901 3.2959 3.6741 3.7276 3.7790 3.7953
3.9510 3.9703 4.2288 4.2530 4.3032 4.3226 4.3455 4.3893
4.4362 4.4927 4.5217 4.5365 4.6397 4.6708 4.6832 4.7345
4.9462 4.9819 5.0248 5.0334 5.1478 5.1671 5.3447 5.3719
5.4427 5.4941 6.0052 6.0168 6.0865 6.0872 8.1471 8.2152
8.6836 8.7708 8.8701 8.9418 8.9612 8.9941 9.2372 9.3606
10.7866 10.8187 11.7131 11.7261
k = 0.0750 0.5000 0.0750 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7106 -25.7106
-6.7812 -6.7809 -6.4517 -6.4390 -6.1048 -6.0896 -6.0482 -6.0479
1.3452 1.3614 1.8095 1.8111 1.8537 1.8631 2.0811 2.1055
2.7380 2.7502 2.7767 2.7931 2.8365 2.8418 2.8900 2.8914
3.2753 3.2824 3.2952 3.2990 3.6915 3.7385 3.7965 3.8123
3.9446 3.9626 4.2330 4.2534 4.3071 4.3240 4.3447 4.3863
4.4281 4.4841 4.5268 4.5387 4.6303 4.6609 4.6628 4.7152
4.9619 4.9953 5.0368 5.0452 5.1560 5.1729 5.3089 5.3397
5.4425 5.4884 6.0206 6.0316 6.0890 6.0900 8.1293 8.1896
8.6799 8.7500 8.8699 8.9569 8.9643 9.0023 9.2268 9.3407
10.7790 10.8085 11.6842 11.6908
k = 0.0625 0.5000 0.0625 ( 6474 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7106 -25.7106
-6.7867 -6.7864 -6.4535 -6.4429 -6.0996 -6.0867 -6.0440 -6.0437
1.3389 1.3525 1.8110 1.8120 1.8571 1.8645 2.0823 2.1028
2.7408 2.7525 2.7739 2.7899 2.8381 2.8425 2.8901 2.8916
3.2817 3.2868 3.2994 3.3016 3.7078 3.7480 3.8129 3.8278
3.9386 3.9545 4.2381 4.2541 4.3115 4.3268 4.3439 4.3833
4.4203 4.4731 4.5326 4.5408 4.6236 4.6441 4.6519 4.6960
4.9781 5.0089 5.0479 5.0567 5.1617 5.1768 5.2778 5.3102
5.4415 5.4811 6.0358 6.0453 6.0917 6.0930 8.1149 8.1665
8.6743 8.7296 8.8746 8.9648 8.9719 9.0116 9.2192 9.3211
10.7708 10.7969 11.6575 11.6604
k = 0.0500 0.5000 0.0500 ( 6478 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7106 -25.7106
-6.7912 -6.7910 -6.4548 -6.4463 -6.0949 -6.0846 -6.0405 -6.0403
1.3338 1.3447 1.8119 1.8125 1.8598 1.8655 2.0835 2.1001
2.7438 2.7551 2.7715 2.7868 2.8396 2.8430 2.8906 2.8920
3.2871 3.2905 3.3026 3.3037 3.7227 3.7557 3.8280 3.8416
3.9330 3.9461 4.2435 4.2549 4.3164 4.3311 4.3432 4.3799
4.4131 4.4602 4.5390 4.5430 4.6194 4.6281 4.6437 4.6771
4.9949 5.0224 5.0573 5.0673 5.1635 5.1782 5.2531 5.2845
5.4402 5.4729 6.0494 6.0570 6.0947 6.0964 8.1039 8.1461
8.6685 8.7109 8.8829 8.9624 8.9864 9.0203 9.2149 9.3019
10.7629 10.7848 11.6346 11.6355
k = 0.0375 0.5000 0.0375 ( 6482 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7106 -25.7106
-6.7948 -6.7946 -6.4556 -6.4493 -6.0910 -6.0832 -6.0378 -6.0376
1.3300 1.3382 1.8124 1.8127 1.8621 1.8662 2.0848 2.0973
2.7468 2.7576 2.7697 2.7837 2.8408 2.8433 2.8912 2.8924
3.2913 3.2935 3.3050 3.3053 3.7357 3.7612 3.8416 3.8532
3.9279 3.9377 4.2485 4.2557 4.3219 4.3369 4.3423 4.3760
4.4074 4.4461 4.5453 4.5454 4.6150 4.6181 4.6366 4.6588
5.0121 5.0354 5.0642 5.0756 5.1607 5.1769 5.2370 5.2632
5.4393 5.4645 6.0604 6.0657 6.0981 6.1001 8.0966 8.1287
8.6637 8.6945 8.8935 8.9574 8.9997 9.0269 9.2144 9.2835
10.7564 10.7734 11.6163 11.6164
k = 0.0250 0.5000 0.0250 ( 6470 PWs) bands (ev):
-61.4436 -61.4436 -34.3627 -34.3627 -25.7118 -25.7118 -25.7105 -25.7105
-6.7973 -6.7972 -6.4559 -6.4517 -6.0878 -6.0826 -6.0358 -6.0357
1.3276 1.3331 1.8126 1.8127 1.8638 1.8665 2.0863 2.0946
2.7499 2.7587 2.7695 2.7806 2.8419 2.8435 2.8919 2.8928
3.2945 3.2957 3.3065 3.3065 3.7467 3.7641 3.8533 3.8620
3.9237 3.9300 4.2524 4.2564 4.3275 4.3412 4.3442 4.3716
4.4041 4.4319 4.5479 4.5508 4.6081 4.6176 4.6304 4.6419
5.0297 5.0472 5.0679 5.0791 5.1558 5.1725 5.2296 5.2473
5.4394 5.4566 6.0682 6.0713 6.1017 6.1036 8.0929 8.1145
8.6609 8.6810 8.9054 8.9500 9.0113 9.0306 9.2180 9.2662
10.7519 10.7636 11.6029 11.6031
k = 0.0125 0.5000 0.0125 ( 6476 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7105 -25.7105
-6.7988 -6.7988 -6.4557 -6.4535 -6.0854 -6.0828 -6.0346 -6.0345
1.3267 1.3295 1.8127 1.8127 1.8651 1.8665 2.0879 2.0921
2.7528 2.7577 2.7713 2.7774 2.8426 2.8434 2.8925 2.8929
3.2964 3.2969 3.3072 3.3073 3.7552 3.7641 3.8622 3.8670
3.9209 3.9239 4.2550 4.2567 4.3326 4.3394 4.3523 4.3663
4.4043 4.4190 4.5505 4.5533 4.6078 4.6190 4.6243 4.6278
5.0470 5.0571 5.0679 5.0747 5.1543 5.1656 5.2282 5.2368
5.4410 5.4498 6.0727 6.0741 6.1047 6.1059 8.0928 8.1037
8.6610 8.6709 8.9176 8.9405 9.0207 9.0307 9.2255 9.2503
10.7502 10.7561 11.5949 11.5951
k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev):
-61.4436 -61.4436 -34.3628 -34.3628 -25.7118 -25.7118 -25.7105 -25.7105
-6.7993 -6.7993 -6.4549 -6.4549 -6.0837 -6.0837 -6.0342 -6.0342
1.3273 1.3273 1.8127 1.8127 1.8660 1.8660 2.0899 2.0899
2.7555 2.7555 2.7742 2.7742 2.8431 2.8431 2.8928 2.8928
3.2972 3.2972 3.3075 3.3075 3.7611 3.7611 3.8671 3.8671
3.9207 3.9207 4.2564 4.2564 4.3366 4.3366 4.3598 4.3598
4.4093 4.4093 4.5528 4.5528 4.6144 4.6144 4.6219 4.6219
5.0627 5.0627 5.0644 5.0644 5.1585 5.1585 5.2307 5.2307
5.4445 5.4445 6.0746 6.0746 6.1063 6.1063 8.0965 8.0965
8.6642 8.6642 8.9296 8.9296 9.0273 9.0273 9.2365 9.2365
10.7516 10.7516 11.5924 11.5924
k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7125 -25.7125 -25.7112 -25.7112
-6.5462 -6.5462 -6.3511 -6.3511 -6.2784 -6.2784 -6.1954 -6.1954
1.5264 1.5264 1.7485 1.7485 1.8244 1.8244 2.4210 2.4210
2.6851 2.6851 2.8342 2.8342 2.8787 2.8787 2.8801 2.8801
2.9098 2.9098 3.2834 3.2834 3.3738 3.3738 3.4107 3.4107
4.0456 4.0456 4.3220 4.3220 4.3248 4.3248 4.3893 4.3893
4.4954 4.4954 4.5093 4.5093 4.5916 4.5916 4.9255 4.9255
5.0161 5.0161 5.0269 5.0269 5.0578 5.0578 5.1496 5.1496
5.7196 5.7196 5.7496 5.7496 6.3239 6.3239 8.5670 8.5670
8.7760 8.7760 8.9645 8.9645 9.3893 9.3893 9.4507 9.4507
11.2522 11.2522 11.2647 11.2647
k = 0.5000 0.5000 0.0179 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5459 -6.5459 -6.3511 -6.3511 -6.2783 -6.2783 -6.1956 -6.1956
1.5261 1.5261 1.7474 1.7474 1.8232 1.8232 2.4130 2.4130
2.6912 2.6912 2.8354 2.8354 2.8790 2.8790 2.8811 2.8811
2.9113 2.9113 3.2831 3.2831 3.3738 3.3738 3.4110 3.4110
4.0464 4.0464 4.3211 4.3211 4.3250 4.3250 4.3901 4.3901
4.4945 4.4945 4.5097 4.5097 4.5918 4.5918 4.9246 4.9246
5.0169 5.0169 5.0268 5.0268 5.0586 5.0586 5.1494 5.1494
5.7214 5.7214 5.7512 5.7512 6.3245 6.3245 8.5642 8.5642
8.7794 8.7794 8.9651 8.9651 9.3898 9.3898 9.4515 9.4515
11.2492 11.2492 11.2616 11.2616
k = 0.5000 0.5000 0.0357 ( 6456 PWs) bands (ev):
-61.4436 -61.4436 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5450 -6.5450 -6.3510 -6.3510 -6.2782 -6.2782 -6.1960 -6.1960
1.5252 1.5252 1.7441 1.7441 1.8197 1.8197 2.3908 2.3908
2.7071 2.7071 2.8388 2.8388 2.8799 2.8799 2.8837 2.8837
2.9159 2.9159 3.2821 3.2821 3.3737 3.3737 3.4117 3.4117
4.0484 4.0484 4.3185 4.3185 4.3256 4.3256 4.3919 4.3919
4.4921 4.4921 4.5104 4.5104 4.5923 4.5923 4.9217 4.9217
5.0178 5.0178 5.0275 5.0275 5.0606 5.0606 5.1487 5.1487
5.7266 5.7266 5.7559 5.7559 6.3264 6.3264 8.5565 8.5565
8.7884 8.7884 8.9671 8.9671 9.3912 9.3912 9.4539 9.4539
11.2400 11.2400 11.2521 11.2521
k = 0.5000 0.5000 0.0536 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7111 -25.7111
-6.5434 -6.5434 -6.3508 -6.3508 -6.2781 -6.2781 -6.1968 -6.1968
1.5236 1.5236 1.7385 1.7385 1.8138 1.8138 2.3592 2.3592
2.7279 2.7279 2.8445 2.8445 2.8816 2.8816 2.8879 2.8879
2.9240 2.9240 3.2805 3.2805 3.3736 3.3736 3.4128 3.4128
4.0518 4.0518 4.3144 4.3144 4.3265 4.3265 4.3948 4.3948
4.4884 4.4884 4.5113 4.5113 4.5932 4.5932 4.9173 4.9173
5.0166 5.0166 5.0310 5.0310 5.0632 5.0632 5.1474 5.1474
5.7355 5.7355 5.7638 5.7638 6.3296 6.3296 8.5453 8.5453
8.8013 8.8013 8.9709 8.9709 9.3934 9.3934 9.4578 9.4578
11.2249 11.2249 11.2364 11.2364
k = 0.5000 0.5000 0.0714 ( 6432 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5412 -6.5412 -6.3507 -6.3507 -6.2779 -6.2779 -6.1978 -6.1978
1.5214 1.5214 1.7310 1.7310 1.8059 1.8059 2.3216 2.3216
2.7492 2.7492 2.8522 2.8522 2.8842 2.8842 2.8936 2.8936
2.9363 2.9363 3.2782 3.2782 3.3735 3.3735 3.4143 3.4143
4.0564 4.0564 4.3094 4.3094 4.3277 4.3277 4.3982 4.3982
4.4840 4.4840 4.5122 4.5122 4.5944 4.5944 4.9119 4.9119
5.0136 5.0136 5.0369 5.0369 5.0657 5.0657 5.1456 5.1456
5.7480 5.7480 5.7751 5.7751 6.3339 6.3339 8.5323 8.5323
8.8157 8.8157 8.9774 8.9774 9.3965 9.3965 9.4630 9.4630
11.2041 11.2041 11.2149 11.2149
k = 0.5000 0.5000 0.0893 ( 6432 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7112 -25.7112
-6.5384 -6.5384 -6.3504 -6.3504 -6.2777 -6.2777 -6.1992 -6.1992
1.5186 1.5186 1.7215 1.7215 1.7960 1.7960 2.2807 2.2807
2.7685 2.7685 2.8611 2.8611 2.8879 2.8879 2.9007 2.9007
2.9535 2.9535 3.2752 3.2752 3.3735 3.3735 3.4160 3.4160
4.0621 4.0621 4.3036 4.3036 4.3293 4.3293 4.4019 4.4019
4.4789 4.4789 4.5130 4.5130 4.5959 4.5959 4.9057 4.9057
5.0096 5.0096 5.0437 5.0437 5.0675 5.0675 5.1434 5.1434
5.7643 5.7643 5.7898 5.7898 6.3394 6.3394 8.5186 8.5186
8.8292 8.8292 8.9875 8.9875 9.4002 9.4002 9.4693 9.4693
11.1779 11.1779 11.1879 11.1879
k = 0.5000 0.5000 0.1071 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7113 -25.7113
-6.5351 -6.5351 -6.3501 -6.3501 -6.2774 -6.2774 -6.2008 -6.2008
1.5152 1.5152 1.7103 1.7103 1.7844 1.7844 2.2379 2.2379
2.7848 2.7848 2.8701 2.8701 2.8930 2.8930 2.9093 2.9093
2.9753 2.9753 3.2716 3.2716 3.3736 3.3736 3.4179 3.4179
4.0690 4.0690 4.2974 4.2974 4.3311 4.3311 4.4058 4.4058
4.4734 4.4734 4.5137 4.5137 4.5978 4.5978 4.8990 4.8990
5.0047 5.0047 5.0507 5.0507 5.0684 5.0684 5.1408 5.1408
5.7845 5.7845 5.8081 5.8081 6.3459 6.3459 8.5054 8.5054
8.8400 8.8400 9.0021 9.0021 9.4044 9.4044 9.4763 9.4763
11.1467 11.1467 11.1558 11.1558
k = 0.5000 0.5000 0.1250 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7113 -25.7113
-6.5311 -6.5311 -6.3498 -6.3498 -6.2771 -6.2771 -6.2028 -6.2028
1.5113 1.5113 1.6976 1.6976 1.7713 1.7713 2.1941 2.1941
2.7984 2.7984 2.8780 2.8780 2.9003 2.9003 2.9191 2.9191
3.0011 3.0011 3.2673 3.2673 3.3737 3.3737 3.4199 3.4199
4.0769 4.0769 4.2912 4.2912 4.3332 4.3332 4.4097 4.4097
4.4678 4.4678 4.5144 4.5144 4.6000 4.6000 4.8921 4.8921
4.9990 4.9990 5.0569 5.0569 5.0682 5.0682 5.1379 5.1379
5.8085 5.8085 5.8300 5.8300 6.3535 6.3535 8.4932 8.4932
8.8472 8.8472 9.0217 9.0217 9.4090 9.4090 9.4838 9.4838
11.1111 11.1111 11.1195 11.1195
k = 0.5000 0.5000 0.1429 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7114 -25.7114
-6.5267 -6.5267 -6.3495 -6.3495 -6.2768 -6.2768 -6.2050 -6.2050
1.5069 1.5069 1.6837 1.6837 1.7571 1.7571 2.1500 2.1500
2.8102 2.8102 2.8846 2.8846 2.9098 2.9098 2.9300 2.9300
3.0295 3.0295 3.2625 3.2625 3.3740 3.3740 3.4219 3.4219
4.0857 4.0857 4.2851 4.2851 4.3355 4.3355 4.4136 4.4136
4.4622 4.4622 4.5151 4.5151 4.6027 4.6027 4.8849 4.8849
4.9924 4.9924 5.0609 5.0609 5.0676 5.0676 5.1348 5.1348
5.8363 5.8363 5.8555 5.8555 6.3619 6.3619 8.4827 8.4827
8.8508 8.8508 9.0456 9.0456 9.4136 9.4136 9.4914 9.4914
11.0716 11.0716 11.0797 11.0797
k = 0.5000 0.5000 0.1607 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7114 -25.7114
-6.5217 -6.5217 -6.3491 -6.3491 -6.2764 -6.2764 -6.2075 -6.2075
1.5019 1.5019 1.6687 1.6687 1.7419 1.7419 2.1060 2.1060
2.8210 2.8210 2.8904 2.8904 2.9208 2.9208 2.9419 2.9419
3.0591 3.0591 3.2572 3.2572 3.3745 3.3745 3.4238 3.4238
4.0952 4.0952 4.2794 4.2794 4.3380 4.3380 4.4173 4.4173
4.4567 4.4567 4.5157 4.5157 4.6059 4.6059 4.8777 4.8777
4.9849 4.9849 5.0595 5.0595 5.0694 5.0694 5.1317 5.1317
5.8678 5.8678 5.8847 5.8847 6.3712 6.3712 8.4742 8.4742
8.8512 8.8512 9.0728 9.0728 9.4180 9.4180 9.4986 9.4986
11.0291 11.0291 11.0373 11.0373
k = 0.5000 0.5000 0.1786 ( 6440 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7115 -25.7115
-6.5162 -6.5162 -6.3488 -6.3488 -6.2760 -6.2760 -6.2103 -6.2103
1.4966 1.4966 1.6530 1.6530 1.7260 1.7260 2.0625 2.0625
2.8312 2.8312 2.8959 2.8959 2.9329 2.9329 2.9545 2.9545
3.0890 3.0890 3.2513 3.2513 3.3751 3.3751 3.4256 3.4256
4.1052 4.1052 4.2742 4.2742 4.3407 4.3407 4.4208 4.4208
4.4516 4.4516 4.5163 4.5163 4.6096 4.6096 4.8702 4.8702
4.9764 4.9764 5.0543 5.0543 5.0714 5.0714 5.1288 5.1288
5.9027 5.9027 5.9173 5.9173 6.3811 6.3811 8.4682 8.4682
8.8491 8.8491 9.1021 9.1021 9.4218 9.4218 9.5051 9.5051
10.9844 10.9844 10.9933 10.9933
k = 0.5000 0.5000 0.1964 ( 6448 PWs) bands (ev):
-61.4435 -61.4435 -34.3629 -34.3629 -25.7124 -25.7124 -25.7116 -25.7116
-6.5103 -6.5103 -6.3484 -6.3484 -6.2756 -6.2756 -6.2133 -6.2133
1.4908 1.4908 1.6369 1.6369 1.7096 1.7096 2.0198 2.0198
2.8412 2.8412 2.9015 2.9015 2.9458 2.9458 2.9676 2.9676
3.1183 3.1183 3.2449 3.2449 3.3759 3.3759 3.4272 3.4272
4.1155 4.1155 4.2699 4.2699 4.3434 4.3434 4.4239 4.4239
4.4471 4.4471 4.5169 4.5169 4.6138 4.6138 4.8627 4.8627
4.9670 4.9670 5.0471 5.0471 5.0716 5.0716 5.1260 5.1260
5.9404 5.9404 5.9533 5.9533 6.3916 6.3916 8.4648 8.4648
8.8453 8.8453 9.1324 9.1324 9.4248 9.4248 9.5103 9.5103
10.9384 10.9384 10.9486 10.9486
k = 0.5000 0.5000 0.2143 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7117 -25.7117
-6.5040 -6.5040 -6.3481 -6.3481 -6.2751 -6.2751 -6.2167 -6.2167
1.4848 1.4848 1.6205 1.6205 1.6930 1.6930 1.9780 1.9780
2.8513 2.8513 2.9074 2.9074 2.9592 2.9592 2.9811 2.9811
3.1465 3.1465 3.2380 3.2380 3.3769 3.3769 3.4285 3.4285
4.1257 4.1257 4.2668 4.2668 4.3462 4.3462 4.4262 4.4262
4.4437 4.4437 4.5173 4.5173 4.6186 4.6186 4.8550 4.8550
4.9568 4.9568 5.0382 5.0382 5.0699 5.0699 5.1233 5.1233
5.9804 5.9804 5.9925 5.9925 6.4025 6.4025 8.4643 8.4643
8.8401 8.8401 9.1628 9.1628 9.4264 9.4264 9.5137 9.5137
10.8923 10.8923 10.9041 10.9041
k = 0.5000 0.5000 0.2321 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7117 -25.7117
-6.4973 -6.4973 -6.3478 -6.3478 -6.2746 -6.2746 -6.2202 -6.2202
1.4785 1.4785 1.6043 1.6043 1.6764 1.6764 1.9374 1.9374
2.8616 2.8616 2.9135 2.9135 2.9731 2.9731 2.9948 2.9948
3.1730 3.1730 3.2308 3.2308 3.3781 3.3781 3.4296 3.4296
4.1355 4.1355 4.2653 4.2653 4.3490 4.3490 4.4270 4.4270
4.4423 4.4423 4.5176 4.5176 4.6239 4.6239 4.8472 4.8472
4.9460 4.9460 5.0279 5.0279 5.0664 5.0664 5.1205 5.1205
6.0221 6.0221 6.0345 6.0345 6.4138 6.4138 8.4668 8.4668
8.8339 8.8339 9.1921 9.1921 9.4266 9.4266 9.5149 9.5149
10.8470 10.8470 10.8608 10.8608
k = 0.5000 0.5000 0.2500 ( 6456 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7118 -25.7118
-6.4903 -6.4903 -6.3476 -6.3476 -6.2742 -6.2742 -6.2240 -6.2240
1.4719 1.4719 1.5886 1.5886 1.6600 1.6600 1.8982 1.8982
2.8722 2.8722 2.9200 2.9200 2.9873 2.9873 3.0086 3.0086
3.1976 3.1976 3.2233 3.2233 3.3795 3.3795 3.4305 3.4305
4.1443 4.1443 4.2657 4.2657 4.3518 4.3518 4.4258 4.4258
4.4433 4.4433 4.5178 4.5178 4.6298 4.6298 4.8392 4.8392
4.9347 4.9347 5.0165 5.0165 5.0615 5.0615 5.1171 5.1171
6.0652 6.0652 6.0789 6.0789 6.4252 6.4252 8.4726 8.4726
8.8271 8.8271 9.2193 9.2193 9.4249 9.4249 9.5136 9.5136
10.8034 10.8034 10.8195 10.8195
k = 0.5000 0.5000 0.2679 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7119 -25.7119
-6.4830 -6.4830 -6.3474 -6.3474 -6.2737 -6.2737 -6.2280 -6.2280
1.4652 1.4652 1.5736 1.5736 1.6439 1.6439 1.8605 1.8605
2.8829 2.8829 2.9268 2.9268 3.0016 3.0016 3.0223 3.0223
3.2146 3.2146 3.2209 3.2209 3.3812 3.3812 3.4309 3.4309
4.1518 4.1518 4.2683 4.2683 4.3546 4.3546 4.4234 4.4234
4.4459 4.4459 4.5178 4.5178 4.6362 4.6362 4.8311 4.8311
4.9231 4.9231 5.0043 5.0043 5.0557 5.0557 5.1127 5.1127
6.1090 6.1090 6.1250 6.1250 6.4367 6.4367 8.4816 8.4816
8.8198 8.8198 9.2432 9.2432 9.4212 9.4212 9.5093 9.5093
10.7622 10.7622 10.7809 10.7809
k = 0.5000 0.5000 0.2857 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7119 -25.7119
-6.4755 -6.4755 -6.3474 -6.3474 -6.2733 -6.2733 -6.2321 -6.2321
1.4583 1.4583 1.5596 1.5596 1.6283 1.6283 1.8243 1.8243
2.8939 2.8939 2.9339 2.9339 3.0159 3.0159 3.0357 3.0357
3.2070 3.2070 3.2404 3.2404 3.3833 3.3833 3.4311 3.4311
4.1576 4.1576 4.2734 4.2734 4.3572 4.3572 4.4209 4.4209
4.4493 4.4493 4.5175 4.5175 4.6431 4.6431 4.8229 4.8229
4.9113 4.9113 4.9917 4.9917 5.0492 5.0492 5.1070 5.1070
6.1533 6.1533 6.1720 6.1720 6.4482 6.4482 8.4939 8.4939
8.8123 8.8123 9.2626 9.2626 9.4155 9.4155 9.5022 9.5022
10.7235 10.7235 10.7457 10.7457
k = 0.5000 0.5000 0.3036 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7120 -25.7120
-6.4679 -6.4679 -6.3475 -6.3475 -6.2728 -6.2728 -6.2364 -6.2364
1.4513 1.4513 1.5469 1.5469 1.6135 1.6135 1.7899 1.7899
2.9050 2.9050 2.9412 2.9412 3.0301 3.0301 3.0487 3.0487
3.1987 3.1987 3.2579 3.2579 3.3858 3.3858 3.4309 3.4309
4.1618 4.1618 4.2810 4.2810 4.3597 4.3597 4.4185 4.4185
4.4531 4.4531 4.5169 4.5169 4.6505 4.6505 4.8146 4.8146
4.8995 4.8995 4.9790 4.9790 5.0425 5.0425 5.1000 5.1000
6.1974 6.1974 6.2193 6.2193 6.4594 6.4594 8.5093 8.5093
8.8047 8.8047 9.2765 9.2765 9.4079 9.4079 9.4921 9.4921
10.6873 10.6873 10.7143 10.7143
k = 0.5000 0.5000 0.3214 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7121 -25.7121
-6.4601 -6.4601 -6.3477 -6.3477 -6.2724 -6.2724 -6.2407 -6.2407
1.4442 1.4442 1.5358 1.5358 1.5995 1.5995 1.7573 1.7573
2.9160 2.9160 2.9486 2.9486 3.0440 3.0440 3.0612 3.0612
3.1902 3.1902 3.2727 3.2727 3.3888 3.3888 3.4305 3.4305
4.1644 4.1644 4.2906 4.2906 4.3620 4.3620 4.4163 4.4163
4.4571 4.4571 4.5160 4.5160 4.6583 4.6583 4.8062 4.8062
4.8876 4.8876 4.9668 4.9668 5.0356 5.0356 5.0917 5.0917
6.2409 6.2409 6.2659 6.2659 6.4704 6.4704 8.5277 8.5277
8.7972 8.7972 9.2839 9.2839 9.3985 9.3985 9.4794 9.4794
10.6535 10.6535 10.6869 10.6869
k = 0.5000 0.5000 0.3393 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7122 -25.7122
-6.4523 -6.4523 -6.3481 -6.3481 -6.2720 -6.2720 -6.2450 -6.2450
1.4371 1.4371 1.5265 1.5265 1.5864 1.5864 1.7266 1.7266
2.9269 2.9269 2.9560 2.9560 3.0574 3.0574 3.0730 3.0730
3.1818 3.1818 3.2848 3.2848 3.3924 3.3924 3.4297 3.4297
4.1659 4.1659 4.3018 4.3018 4.3641 4.3641 4.4144 4.4144
4.4612 4.4612 4.5145 4.5145 4.6665 4.6665 4.7980 4.7980
4.8756 4.8756 4.9556 4.9556 5.0289 5.0289 5.0820 5.0820
6.2830 6.2830 6.3113 6.3113 6.4809 6.4809 8.5487 8.5487
8.7899 8.7899 9.2846 9.2846 9.3873 9.3873 9.4643 9.4643
10.6231 10.6231 10.6637 10.6637
k = 0.5000 0.5000 0.3571 ( 6468 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7122 -25.7122
-6.4445 -6.4445 -6.3487 -6.3487 -6.2716 -6.2716 -6.2493 -6.2493
1.4301 1.4301 1.5192 1.5192 1.5744 1.5744 1.6979 1.6979
2.9375 2.9375 2.9633 2.9633 3.0701 3.0701 3.0841 3.0841
3.1734 3.1734 3.2942 3.2942 3.3965 3.3965 3.4288 3.4288
4.1665 4.1665 4.3141 4.3141 4.3660 4.3660 4.4129 4.4129
4.4653 4.4653 4.5126 4.5126 4.6751 4.6751 4.7901 4.7901
4.8635 4.8635 4.9458 4.9458 5.0224 5.0224 5.0712 5.0712
6.3229 6.3229 6.3547 6.3547 6.4911 6.4911 8.5721 8.5721
8.7830 8.7830 9.2795 9.2795 9.3743 9.3743 9.4471 9.4471
10.5983 10.5983 10.6447 10.6447
k = 0.5000 0.5000 0.3750 ( 6464 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4369 -6.4369 -6.3496 -6.3496 -6.2712 -6.2712 -6.2534 -6.2534
1.4233 1.4233 1.5140 1.5140 1.5635 1.5635 1.6712 1.6712
2.9477 2.9477 2.9704 2.9704 3.0820 3.0820 3.0944 3.0944
3.1653 3.1653 3.3013 3.3013 3.4009 3.4009 3.4277 3.4277
4.1666 4.1666 4.3269 4.3269 4.3677 4.3677 4.4116 4.4116
4.4693 4.4693 4.5101 4.5101 4.6841 4.6841 4.7827 4.7827
4.8512 4.8512 4.9378 4.9378 5.0164 5.0164 5.0595 5.0595
6.3600 6.3600 6.3954 6.3954 6.5007 6.5007 8.5972 8.5972
8.7765 8.7765 9.2697 9.2697 9.3596 9.3596 9.4280 9.4280
10.5808 10.5808 10.6297 10.6297
k = 0.5000 0.5000 0.3929 ( 6472 PWs) bands (ev):
-61.4436 -61.4436 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4296 -6.4296 -6.3508 -6.3508 -6.2709 -6.2709 -6.2573 -6.2573
1.4168 1.4168 1.5109 1.5109 1.5540 1.5540 1.6467 1.6467
2.9573 2.9573 2.9770 2.9770 3.0928 3.0928 3.1037 3.1037
3.1575 3.1575 3.3063 3.3063 3.4054 3.4054 3.4265 3.4265
4.1663 4.1663 4.3398 4.3398 4.3691 4.3691 4.4104 4.4104
4.4730 4.4730 4.5070 4.5070 4.6932 4.6932 4.7759 4.7759
4.8386 4.8386 4.9319 4.9319 5.0108 5.0108 5.0472 5.0472
6.3935 6.3935 6.4325 6.4325 6.5098 6.5098 8.6234 8.6234
8.7705 8.7705 9.2571 9.2571 9.3440 9.3440 9.4070 9.4070
10.5709 10.5709 10.6183 10.6183
k = 0.5000 0.5000 0.4107 ( 6456 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4226 -6.4226 -6.3521 -6.3521 -6.2706 -6.2706 -6.2609 -6.2609
1.4110 1.4110 1.5099 1.5099 1.5457 1.5457 1.6243 1.6243
2.9662 2.9662 2.9829 2.9829 3.1023 3.1023 3.1118 3.1118
3.1505 3.1505 3.3096 3.3096 3.4097 3.4097 3.4253 3.4253
4.1660 4.1660 4.3525 4.3525 4.3704 4.3704 4.4094 4.4094
4.4765 4.4765 4.5035 4.5035 4.7027 4.7027 4.7702 4.7702
4.8258 4.8258 4.9283 4.9283 5.0060 5.0060 5.0349 5.0349
6.4225 6.4225 6.4655 6.4655 6.5185 6.5185 8.6496 8.6496
8.7652 8.7652 9.2433 9.2433 9.3285 9.3285 9.3846 9.3846
10.5679 10.5679 10.6099 10.6099
k = 0.5000 0.5000 0.4286 ( 6444 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7123 -25.7123
-6.4162 -6.4162 -6.3538 -6.3538 -6.2704 -6.2704 -6.2640 -6.2640
1.4059 1.4059 1.5108 1.5108 1.5389 1.5389 1.6042 1.6042
2.9743 2.9743 2.9878 2.9878 3.1103 3.1103 3.1185 3.1185
3.1445 3.1445 3.3117 3.3117 3.4136 3.4136 3.4241 3.4241
4.1656 4.1656 4.3644 4.3644 4.3714 4.3714 4.4083 4.4083
4.4795 4.4795 4.4996 4.4996 4.7124 4.7124 4.7655 4.7655
4.8131 4.8131 4.9266 4.9266 5.0018 5.0018 5.0229 5.0229
6.4463 6.4463 6.4935 6.4935 6.5267 6.5267 8.6749 8.6749
8.7604 8.7604 9.2298 9.2298 9.3144 9.3144 9.3619 9.3619
10.5701 10.5701 10.6039 10.6039
k = 0.5000 0.5000 0.4464 ( 6456 PWs) bands (ev):
-61.4435 -61.4435 -34.3630 -34.3630 -25.7124 -25.7124 -25.7124 -25.7124
-6.4106 -6.4106 -6.3555 -6.3555 -6.2702 -6.2702 -6.2665 -6.2665
1.4018 1.4018 1.5137 1.5137 1.5336 1.5336 1.5865 1.5865
2.9812 2.9812 2.9916 2.9916 3.1166 3.1166 3.1232 3.1232
3.1401 3.1401 3.3128 3.3128 3.4168 3.4168 3.4231 3.4231
4.1652 4.1652 4.3720 4.3720 4.3754 4.3754 4.4070 4.4070
4.4820 4.4820 4.4957 4.4957 4.7218 4.7218 4.7622 4.7622
4.8005 4.8005 4.9266 4.9266 4.9985 4.9985 5.0119 5.0119
6.4643 6.4643 6.5161 6.5161 6.5343 6.5343 8.6977 8.6977
8.7562 8.7562 9.2177 9.2177 9.3031 9.3031 9.3403 9.3403
10.5755 10.5755 10.5998 10.5998
k = 0.5000 0.5000 0.4643 ( 6484 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7124 -25.7124
-6.4061 -6.4061 -6.3571 -6.3571 -6.2701 -6.2701 -6.2684 -6.2684
1.3988 1.3988 1.5180 1.5180 1.5297 1.5297 1.5715 1.5715
2.9869 2.9869 2.9939 2.9939 3.1210 3.1210 3.1251 3.1251
3.1382 3.1382 3.3134 3.3134 3.4191 3.4191 3.4223 3.4223
4.1648 4.1648 4.3726 4.3726 4.3847 4.3847 4.4051 4.4051
4.4840 4.4840 4.4920 4.4920 4.7305 4.7305 4.7607 4.7607
4.7883 4.7883 4.9277 4.9277 4.9960 4.9960 5.0027 5.0027
6.4766 6.4766 6.5326 6.5326 6.5406 6.5406 8.7168 8.7168
8.7521 8.7521 9.2082 9.2082 9.2959 9.2959 9.3213 9.3213
10.5820 10.5820 10.5969 10.5969
k = 0.5000 0.5000 0.4821 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4032 -6.4032 -6.3583 -6.3583 -6.2700 -6.2700 -6.2696 -6.2696
1.3969 1.3969 1.5229 1.5229 1.5273 1.5273 1.5603 1.5603
2.9911 2.9911 2.9947 2.9947 3.1237 3.1237 3.1249 3.1249
3.1385 3.1385 3.3136 3.3136 3.4206 3.4206 3.4217 3.4217
4.1646 4.1646 4.3729 4.3729 4.3924 4.3924 4.4023 4.4023
4.4856 4.4856 4.4892 4.4892 4.7372 4.7372 4.7622 4.7622
4.7772 4.7772 4.9290 4.9290 4.9945 4.9945 4.9965 4.9965
6.4837 6.4837 6.5427 6.5427 6.5450 6.5450 8.7313 8.7313
8.7475 8.7475 9.2021 9.2021 9.2937 9.2937 9.3066 9.3066
10.5877 10.5877 10.5945 10.5945
k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev):
-61.4436 -61.4436 -34.3631 -34.3631 -25.7125 -25.7125 -25.7125 -25.7125
-6.4022 -6.4022 -6.3587 -6.3587 -6.2700 -6.2700 -6.2700 -6.2700
1.3963 1.3963 1.5259 1.5259 1.5259 1.5259 1.5557 1.5557
2.9938 2.9938 2.9938 2.9938 3.1246 3.1246 3.1246 3.1246
3.1388 3.1388 3.3137 3.3137 3.4214 3.4214 3.4214 3.4214
4.1646 4.1646 4.3730 4.3730 4.3982 4.3982 4.3982 4.3982
4.4872 4.4872 4.4872 4.4872 4.7397 4.7397 4.7679 4.7679
4.7679 4.7679 4.9296 4.9296 4.9941 4.9941 4.9941 4.9941
6.4860 6.4860 6.5463 6.5463 6.5463 6.5463 8.7412 8.7412
8.7412 8.7412 9.2000 9.2000 9.2972 9.2972 9.2972 9.2972
10.5918 10.5918 10.5918 10.5918
Writing output data file TaCu3Se4.save
init_run : 4.12s CPU 13.92s WALL ( 1 calls)
electrons : 1215.65s CPU 1228.27s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.27s CPU 1.45s WALL ( 1 calls)
Called by electrons:
c_bands : 1215.61s CPU 1227.99s WALL ( 1 calls)
v_of_rho : 0.06s CPU 0.91s WALL ( 1 calls)
v_h : 0.01s CPU 0.01s WALL ( 1 calls)
v_xc : 0.06s CPU 0.56s WALL ( 1 calls)
newd : 0.73s CPU 0.78s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.02s CPU 0.17s WALL ( 219 calls)
cegterg : 1166.08s CPU 1175.74s WALL ( 605 calls)
Called by sum_band:
Called by *egterg:
h_psi : 346.52s CPU 353.53s WALL ( 10372 calls)
s_psi : 44.67s CPU 45.12s WALL ( 10372 calls)
g_psi : 1.13s CPU 1.14s WALL ( 9548 calls)
cdiaghg : 587.45s CPU 586.08s WALL ( 9767 calls)
cegterg:over : 104.97s CPU 102.67s WALL ( 9548 calls)
cegterg:upda : 34.05s CPU 36.19s WALL ( 9548 calls)
cegterg:last : 24.69s CPU 25.07s WALL ( 1321 calls)
Called by h_psi:
h_psi:vloc : 256.21s CPU 261.40s WALL ( 10372 calls)
h_psi:vnl : 89.69s CPU 91.04s WALL ( 10372 calls)
add_vuspsi : 33.94s CPU 37.20s WALL ( 10372 calls)
General routines
calbec : 55.71s CPU 53.74s WALL ( 10372 calls)
fft : 0.40s CPU 1.23s WALL ( 19 calls)
ffts : 0.01s CPU 0.05s WALL ( 4 calls)
fftw : 242.53s CPU 245.48s WALL ( 1318220 calls)
interpolate : 0.03s CPU 0.13s WALL ( 4 calls)
davcio : 0.02s CPU 2.51s WALL ( 438 calls)
Parallel routines
fft_scatter : 166.98s CPU 168.80s WALL ( 1318243 calls)
PWSCF : 21m29.45s CPU 23m32.47s WALL
This run was terminated on: 2:17:31 2Nov2015
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=