Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3: 7
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./SiP2.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 44 44 13 1358 1358 213
Max 45 45 15 1363 1363 215
Sum 1617 1617 481 49029 49029 7689
bravais-lattice index = 14
lattice parameter (alat) = 10.7544 a.u.
unit-cell volume = 1243.8335 (a.u.)^3
number of atoms/cell = 12
number of atomic types = 2
number of electrons = 56.00
number of Kohn-Sham states= 68
kinetic-energy cutoff = 44.0000 Ry
charge density cutoff = 176.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 10.754431 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 Si read from file:
/users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: b835890840a210e39275f4497a2439d5
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1141 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 P read from file:
/users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 667ec27f6326587e4f0d1734a2230026
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1147 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
Si 4.00 28.08550 Si( 1.00)
P 5.00 30.97380 P( 1.00)
6 Sym. Ops., with inversion, found
(note: 18 additional sym.ops. were found but ignored
their fractional translations are incommensurate with FFT grid)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s( 2) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 -0.0000000 1.0000000 )
( 1.0000000 -0.0000000 -0.0000000 )
isym = 3 120 deg rotation - cart. axis [1,1,1]
cryst. s( 3) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
isym = 4 inversion
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 inv. 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 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s( 6) = ( 0 -1 0 )
( 0 0 -1 )
( -1 0 0 )
cart. s( 6) = ( -0.0000000 -0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
double point group S_6 (-3)
there are 12 classes and 6 irreducible representations
the character table:
E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6
G_4+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50
G_5+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50
G_6+ 1.00 -1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 -1.00 1.00 -1.00 1.00
G_4- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50
G_5- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50
G_6- 1.00 -1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00
imaginary part
E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6
G_4+ 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.87 -0.87 -0.87 0.87
G_5+ 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 -0.87 0.87 0.87 -0.87
G_6+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
G_4- 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 -0.87 0.87 0.87 -0.87
G_5- 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.87 -0.87 -0.87 0.87
G_6- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
C3 3
120 deg rotation - cart. axis [1,1,1]
-C3 -3
120 deg rotation - cart. axis [1,1,1] E
C3^2 2
120 deg rotation - cart. axis [-1,-1,-1]
-C3^2 -2
120 deg rotation - cart. axis [-1,-1,-1] E
i 4
inversion
-i -4
inversion E
S6^5 6
inv. 120 deg rotation - cart. axis [1,1,1]
-S6^5 -6
inv. 120 deg rotation - cart. axis [1,1,1] E
S6 5
inv. 120 deg rotation - cart. axis [-1,-1,-1]
-S6 -5
inv. 120 deg rotation - cart. axis [-1,-1,-1] E
Cartesian axes
number of k points= 218 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045872
k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045872
k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045872
k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045872
k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045872
k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045872
k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045872
k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045872
k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045872
k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045872
k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045872
k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045872
k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045872
k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045872
k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045872
k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045872
k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045872
k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045872
k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045872
k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045872
k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045872
k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045872
k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045872
k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045872
k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045872
k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045872
k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045872
k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872
k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872
k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045872
k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045872
k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045872
k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045872
k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045872
k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045872
k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045872
k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045872
k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045872
k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045872
k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045872
k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045872
k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045872
k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045872
k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045872
k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872
k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872
k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045872
k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045872
k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045872
k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045872
k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045872
k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045872
k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045872
k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045872
k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045872
k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045872
k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872
k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872
k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045872
k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045872
k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045872
k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045872
k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045872
k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045872
k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045872
k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045872
k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045872
k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872
k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872
k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872
k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872
k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045872
k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045872
k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872
k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045872
k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045872
k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045872
k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045872
k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045872
k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045872
k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045872
k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045872
k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872
k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872
k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045872
k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872
k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045872
k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045872
k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045872
k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045872
k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872
k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872
k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045872
k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045872
k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872
k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045872
k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045872
k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872
k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872
k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872
k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872
k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872
k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872
k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872
k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872
k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872
k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872
k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872
k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872
k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872
k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872
k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872
k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872
k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872
k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872
k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872
k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872
k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872
k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872
k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872
k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872
k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872
k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872
k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872
k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872
k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872
k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872
k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872
k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872
k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872
k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872
k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872
k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872
k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872
k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872
k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872
k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872
k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872
k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872
k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872
k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872
k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872
k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872
k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872
k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872
k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872
k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872
k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872
k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872
k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872
k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872
k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872
k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872
k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872
k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872
k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872
k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872
k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872
k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872
k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872
k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872
k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872
k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872
k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872
k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872
k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872
k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872
k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872
k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872
k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872
k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872
k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872
k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872
k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872
k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872
k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872
k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872
k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872
k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872
k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872
k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872
k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872
k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872
k( 189) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872
k( 190) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872
k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872
k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872
k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872
k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872
k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872
k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872
k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872
k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872
k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872
k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872
k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872
k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872
k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872
k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872
k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872
k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872
k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872
k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872
k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872
k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872
k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872
k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872
k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872
k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872
k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872
k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872
k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872
k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045872
k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045872
k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045872
k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045872
k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045872
k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045872
k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045872
k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045872
k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045872
k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045872
k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045872
k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045872
k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045872
k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045872
k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045872
k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045872
k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045872
k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045872
k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045872
k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045872
k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045872
k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045872
k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045872
k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045872
k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045872
k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045872
k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045872
k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872
k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872
k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045872
k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045872
k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045872
k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045872
k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045872
k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045872
k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045872
k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045872
k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045872
k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045872
k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045872
k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045872
k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045872
k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045872
k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045872
k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872
k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872
k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045872
k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045872
k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045872
k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045872
k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045872
k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045872
k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045872
k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045872
k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045872
k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045872
k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872
k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872
k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045872
k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045872
k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045872
k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045872
k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045872
k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045872
k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045872
k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045872
k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045872
k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872
k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872
k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872
k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872
k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045872
k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045872
k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045872
k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045872
k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045872
k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045872
k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045872
k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045872
k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045872
k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045872
k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045872
k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872
k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872
k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045872
k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045872
k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045872
k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045872
k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045872
k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045872
k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872
k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045872
k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045872
k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045872
k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045872
k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045872
k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045872
k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872
k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872
k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872
k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872
k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872
k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872
k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872
k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872
k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872
k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872
k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872
k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872
k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872
k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872
k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872
k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872
k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872
k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872
k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872
k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872
k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872
k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872
k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872
k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872
k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872
k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872
k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872
k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872
k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872
k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872
k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872
k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872
k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872
k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872
k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872
k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872
k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872
k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872
k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872
k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872
k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872
k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872
k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872
k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872
k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872
k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872
k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872
k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872
k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872
k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872
k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872
k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872
k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872
k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872
k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872
k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872
k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872
k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872
k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872
k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872
k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872
k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872
k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872
k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872
k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872
k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872
k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872
k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872
k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872
k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872
k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872
k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872
k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872
k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872
k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872
k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872
k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872
k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872
k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872
k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872
k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872
k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872
k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872
k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872
k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872
k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872
k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872
k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872
k( 190) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872
k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872
k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872
k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872
k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872
k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872
k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872
k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872
k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872
k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872
k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872
k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872
k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872
k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872
k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872
k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872
k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872
k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872
k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872
k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872
k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872
k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872
k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872
k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872
k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872
k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872
k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872
k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872
k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872
Dense grid: 49029 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.36 Mb ( 348, 68)
NL pseudopotentials 1.08 Mb ( 174, 408)
Each V/rho on FFT grid 0.06 Mb ( 4050)
Each G-vector array 0.01 Mb ( 1363)
G-vector shells 0.00 Mb ( 317)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.44 Mb ( 348, 272)
Each subspace H/S matrix 0.07 Mb ( 68, 68)
Each <psi_i|beta_j> matrix 0.85 Mb ( 408, 2, 68)
The potential is recalculated from file :
./SiP2.save/charge-density.dat
Starting wfc are 96 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.4 secs
Computing kpt #: 2
total cpu time spent up to now is 5.5 secs
Computing kpt #: 3
total cpu time spent up to now is 6.7 secs
Computing kpt #: 4
total cpu time spent up to now is 8.0 secs
Computing kpt #: 5
total cpu time spent up to now is 9.1 secs
Computing kpt #: 6
total cpu time spent up to now is 10.3 secs
Computing kpt #: 7
total cpu time spent up to now is 11.5 secs
Computing kpt #: 8
total cpu time spent up to now is 13.4 secs
Computing kpt #: 9
total cpu time spent up to now is 14.6 secs
Computing kpt #: 10
total cpu time spent up to now is 15.8 secs
Computing kpt #: 11
total cpu time spent up to now is 17.1 secs
Computing kpt #: 12
total cpu time spent up to now is 18.3 secs
Computing kpt #: 13
total cpu time spent up to now is 19.5 secs
Computing kpt #: 14
total cpu time spent up to now is 20.7 secs
Computing kpt #: 15
total cpu time spent up to now is 21.9 secs
Computing kpt #: 16
total cpu time spent up to now is 23.2 secs
Computing kpt #: 17
total cpu time spent up to now is 24.8 secs
Computing kpt #: 18
total cpu time spent up to now is 26.4 secs
Computing kpt #: 19
total cpu time spent up to now is 27.9 secs
Computing kpt #: 20
total cpu time spent up to now is 29.3 secs
Computing kpt #: 21
total cpu time spent up to now is 30.6 secs
Computing kpt #: 22
total cpu time spent up to now is 31.9 secs
Computing kpt #: 23
total cpu time spent up to now is 33.2 secs
Computing kpt #: 24
total cpu time spent up to now is 34.4 secs
Computing kpt #: 25
total cpu time spent up to now is 35.8 secs
Computing kpt #: 26
total cpu time spent up to now is 37.1 secs
Computing kpt #: 27
total cpu time spent up to now is 38.4 secs
Computing kpt #: 28
total cpu time spent up to now is 40.7 secs
Computing kpt #: 29
total cpu time spent up to now is 42.4 secs
Computing kpt #: 30
total cpu time spent up to now is 44.1 secs
Computing kpt #: 31
total cpu time spent up to now is 45.8 secs
Computing kpt #: 32
total cpu time spent up to now is 47.5 secs
Computing kpt #: 33
total cpu time spent up to now is 48.9 secs
Computing kpt #: 34
total cpu time spent up to now is 50.2 secs
Computing kpt #: 35
total cpu time spent up to now is 51.4 secs
Computing kpt #: 36
total cpu time spent up to now is 52.6 secs
Computing kpt #: 37
total cpu time spent up to now is 53.9 secs
Computing kpt #: 38
total cpu time spent up to now is 55.2 secs
Computing kpt #: 39
total cpu time spent up to now is 56.3 secs
Computing kpt #: 40
total cpu time spent up to now is 57.9 secs
Computing kpt #: 41
total cpu time spent up to now is 59.5 secs
Computing kpt #: 42
total cpu time spent up to now is 61.2 secs
Computing kpt #: 43
total cpu time spent up to now is 62.8 secs
Computing kpt #: 44
total cpu time spent up to now is 64.9 secs
Computing kpt #: 45
total cpu time spent up to now is 67.3 secs
Computing kpt #: 46
total cpu time spent up to now is 69.2 secs
Computing kpt #: 47
total cpu time spent up to now is 71.3 secs
Computing kpt #: 48
total cpu time spent up to now is 72.8 secs
Computing kpt #: 49
total cpu time spent up to now is 74.1 secs
Computing kpt #: 50
total cpu time spent up to now is 76.0 secs
Computing kpt #: 51
total cpu time spent up to now is 77.3 secs
Computing kpt #: 52
total cpu time spent up to now is 78.6 secs
Computing kpt #: 53
total cpu time spent up to now is 79.9 secs
Computing kpt #: 54
total cpu time spent up to now is 81.1 secs
Computing kpt #: 55
total cpu time spent up to now is 82.4 secs
Computing kpt #: 56
total cpu time spent up to now is 83.8 secs
Computing kpt #: 57
total cpu time spent up to now is 85.2 secs
Computing kpt #: 58
total cpu time spent up to now is 86.7 secs
Computing kpt #: 59
total cpu time spent up to now is 88.3 secs
Computing kpt #: 60
total cpu time spent up to now is 89.8 secs
Computing kpt #: 61
total cpu time spent up to now is 91.2 secs
Computing kpt #: 62
total cpu time spent up to now is 92.6 secs
Computing kpt #: 63
total cpu time spent up to now is 93.9 secs
Computing kpt #: 64
total cpu time spent up to now is 95.4 secs
Computing kpt #: 65
total cpu time spent up to now is 96.8 secs
Computing kpt #: 66
total cpu time spent up to now is 98.1 secs
Computing kpt #: 67
total cpu time spent up to now is 99.3 secs
Computing kpt #: 68
total cpu time spent up to now is 100.6 secs
Computing kpt #: 69
total cpu time spent up to now is 101.9 secs
Computing kpt #: 70
total cpu time spent up to now is 103.1 secs
Computing kpt #: 71
total cpu time spent up to now is 104.3 secs
Computing kpt #: 72
total cpu time spent up to now is 105.5 secs
Computing kpt #: 73
total cpu time spent up to now is 106.7 secs
Computing kpt #: 74
total cpu time spent up to now is 107.9 secs
Computing kpt #: 75
total cpu time spent up to now is 109.1 secs
Computing kpt #: 76
total cpu time spent up to now is 110.3 secs
Computing kpt #: 77
total cpu time spent up to now is 111.6 secs
Computing kpt #: 78
total cpu time spent up to now is 112.9 secs
Computing kpt #: 79
total cpu time spent up to now is 114.4 secs
Computing kpt #: 80
total cpu time spent up to now is 116.0 secs
Computing kpt #: 81
total cpu time spent up to now is 117.3 secs
Computing kpt #: 82
total cpu time spent up to now is 118.6 secs
Computing kpt #: 83
total cpu time spent up to now is 119.9 secs
Computing kpt #: 84
total cpu time spent up to now is 121.2 secs
Computing kpt #: 85
total cpu time spent up to now is 122.5 secs
Computing kpt #: 86
total cpu time spent up to now is 123.9 secs
Computing kpt #: 87
total cpu time spent up to now is 125.2 secs
Computing kpt #: 88
total cpu time spent up to now is 126.8 secs
Computing kpt #: 89
total cpu time spent up to now is 128.3 secs
Computing kpt #: 90
total cpu time spent up to now is 130.0 secs
Computing kpt #: 91
total cpu time spent up to now is 131.3 secs
Computing kpt #: 92
total cpu time spent up to now is 132.7 secs
Computing kpt #: 93
total cpu time spent up to now is 134.2 secs
Computing kpt #: 94
total cpu time spent up to now is 136.2 secs
Computing kpt #: 95
total cpu time spent up to now is 138.7 secs
Computing kpt #: 96
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 141.5 secs
Computing kpt #: 97
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 144.3 secs
Computing kpt #: 98
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 147.1 secs
Computing kpt #: 99
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 149.8 secs
Computing kpt #: 100
total cpu time spent up to now is 151.4 secs
Computing kpt #: 101
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 154.2 secs
Computing kpt #: 102
total cpu time spent up to now is 156.3 secs
Computing kpt #: 103
total cpu time spent up to now is 157.9 secs
Computing kpt #: 104
total cpu time spent up to now is 159.3 secs
Computing kpt #: 105
total cpu time spent up to now is 160.8 secs
Computing kpt #: 106
total cpu time spent up to now is 162.2 secs
Computing kpt #: 107
total cpu time spent up to now is 163.5 secs
Computing kpt #: 108
total cpu time spent up to now is 164.8 secs
Computing kpt #: 109
total cpu time spent up to now is 166.2 secs
Computing kpt #: 110
total cpu time spent up to now is 167.9 secs
Computing kpt #: 111
total cpu time spent up to now is 169.3 secs
Computing kpt #: 112
total cpu time spent up to now is 170.7 secs
Computing kpt #: 113
total cpu time spent up to now is 172.7 secs
Computing kpt #: 114
total cpu time spent up to now is 174.4 secs
Computing kpt #: 115
total cpu time spent up to now is 176.3 secs
Computing kpt #: 116
total cpu time spent up to now is 178.0 secs
Computing kpt #: 117
total cpu time spent up to now is 179.7 secs
Computing kpt #: 118
total cpu time spent up to now is 181.3 secs
Computing kpt #: 119
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 184.1 secs
Computing kpt #: 120
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 186.7 secs
Computing kpt #: 121
total cpu time spent up to now is 189.0 secs
Computing kpt #: 122
total cpu time spent up to now is 191.6 secs
Computing kpt #: 123
total cpu time spent up to now is 193.9 secs
Computing kpt #: 124
total cpu time spent up to now is 196.6 secs
Computing kpt #: 125
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 199.2 secs
Computing kpt #: 126
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 201.9 secs
Computing kpt #: 127
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 204.6 secs
Computing kpt #: 128
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 207.3 secs
Computing kpt #: 129
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 210.0 secs
Computing kpt #: 130
total cpu time spent up to now is 211.7 secs
Computing kpt #: 131
total cpu time spent up to now is 213.3 secs
Computing kpt #: 132
total cpu time spent up to now is 215.2 secs
Computing kpt #: 133
total cpu time spent up to now is 216.7 secs
Computing kpt #: 134
total cpu time spent up to now is 218.3 secs
Computing kpt #: 135
total cpu time spent up to now is 220.1 secs
Computing kpt #: 136
total cpu time spent up to now is 221.4 secs
Computing kpt #: 137
total cpu time spent up to now is 222.6 secs
Computing kpt #: 138
total cpu time spent up to now is 223.8 secs
Computing kpt #: 139
total cpu time spent up to now is 225.1 secs
Computing kpt #: 140
total cpu time spent up to now is 226.4 secs
Computing kpt #: 141
total cpu time spent up to now is 227.7 secs
Computing kpt #: 142
total cpu time spent up to now is 229.0 secs
Computing kpt #: 143
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 231.7 secs
Computing kpt #: 144
total cpu time spent up to now is 233.7 secs
Computing kpt #: 145
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 236.5 secs
Computing kpt #: 146
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 239.4 secs
Computing kpt #: 147
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 242.2 secs
Computing kpt #: 148
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 245.0 secs
Computing kpt #: 149
total cpu time spent up to now is 247.4 secs
Computing kpt #: 150
total cpu time spent up to now is 249.5 secs
Computing kpt #: 151
total cpu time spent up to now is 250.9 secs
Computing kpt #: 152
total cpu time spent up to now is 252.1 secs
Computing kpt #: 153
total cpu time spent up to now is 253.3 secs
Computing kpt #: 154
total cpu time spent up to now is 254.5 secs
Computing kpt #: 155
total cpu time spent up to now is 255.7 secs
Computing kpt #: 156
total cpu time spent up to now is 256.8 secs
Computing kpt #: 157
total cpu time spent up to now is 257.9 secs
Computing kpt #: 158
total cpu time spent up to now is 258.9 secs
Computing kpt #: 159
total cpu time spent up to now is 260.0 secs
Computing kpt #: 160
total cpu time spent up to now is 261.0 secs
Computing kpt #: 161
total cpu time spent up to now is 262.1 secs
Computing kpt #: 162
total cpu time spent up to now is 263.1 secs
Computing kpt #: 163
total cpu time spent up to now is 264.1 secs
Computing kpt #: 164
total cpu time spent up to now is 265.1 secs
Computing kpt #: 165
total cpu time spent up to now is 266.1 secs
Computing kpt #: 166
total cpu time spent up to now is 267.1 secs
Computing kpt #: 167
total cpu time spent up to now is 268.1 secs
Computing kpt #: 168
total cpu time spent up to now is 269.0 secs
Computing kpt #: 169
total cpu time spent up to now is 270.0 secs
Computing kpt #: 170
total cpu time spent up to now is 271.0 secs
Computing kpt #: 171
total cpu time spent up to now is 272.0 secs
Computing kpt #: 172
total cpu time spent up to now is 273.0 secs
Computing kpt #: 173
total cpu time spent up to now is 274.0 secs
Computing kpt #: 174
total cpu time spent up to now is 275.0 secs
Computing kpt #: 175
total cpu time spent up to now is 276.1 secs
Computing kpt #: 176
total cpu time spent up to now is 277.1 secs
Computing kpt #: 177
total cpu time spent up to now is 278.1 secs
Computing kpt #: 178
total cpu time spent up to now is 279.1 secs
Computing kpt #: 179
total cpu time spent up to now is 280.1 secs
Computing kpt #: 180
total cpu time spent up to now is 281.1 secs
Computing kpt #: 181
total cpu time spent up to now is 282.1 secs
Computing kpt #: 182
total cpu time spent up to now is 283.2 secs
Computing kpt #: 183
total cpu time spent up to now is 284.4 secs
Computing kpt #: 184
total cpu time spent up to now is 285.5 secs
Computing kpt #: 185
total cpu time spent up to now is 286.6 secs
Computing kpt #: 186
total cpu time spent up to now is 287.8 secs
Computing kpt #: 187
total cpu time spent up to now is 289.0 secs
Computing kpt #: 188
total cpu time spent up to now is 290.8 secs
Computing kpt #: 189
total cpu time spent up to now is 292.4 secs
Computing kpt #: 190
total cpu time spent up to now is 293.9 secs
Computing kpt #: 191
total cpu time spent up to now is 295.5 secs
Computing kpt #: 192
total cpu time spent up to now is 297.1 secs
Computing kpt #: 193
total cpu time spent up to now is 298.6 secs
Computing kpt #: 194
total cpu time spent up to now is 300.2 secs
Computing kpt #: 195
total cpu time spent up to now is 301.8 secs
Computing kpt #: 196
total cpu time spent up to now is 303.4 secs
Computing kpt #: 197
total cpu time spent up to now is 305.1 secs
Computing kpt #: 198
total cpu time spent up to now is 306.8 secs
Computing kpt #: 199
total cpu time spent up to now is 308.4 secs
Computing kpt #: 200
total cpu time spent up to now is 310.0 secs
Computing kpt #: 201
total cpu time spent up to now is 311.6 secs
Computing kpt #: 202
total cpu time spent up to now is 313.2 secs
Computing kpt #: 203
total cpu time spent up to now is 314.8 secs
Computing kpt #: 204
total cpu time spent up to now is 316.4 secs
Computing kpt #: 205
total cpu time spent up to now is 318.0 secs
Computing kpt #: 206
total cpu time spent up to now is 319.6 secs
Computing kpt #: 207
total cpu time spent up to now is 321.2 secs
Computing kpt #: 208
total cpu time spent up to now is 322.9 secs
Computing kpt #: 209
total cpu time spent up to now is 324.9 secs
Computing kpt #: 210
total cpu time spent up to now is 326.6 secs
Computing kpt #: 211
total cpu time spent up to now is 329.5 secs
Computing kpt #: 212
total cpu time spent up to now is 331.7 secs
Computing kpt #: 213
total cpu time spent up to now is 333.9 secs
Computing kpt #: 214
c_bands: 3 eigenvalues not converged
total cpu time spent up to now is 336.9 secs
Computing kpt #: 215
c_bands: 4 eigenvalues not converged
total cpu time spent up to now is 340.0 secs
Computing kpt #: 216
c_bands: 4 eigenvalues not converged
total cpu time spent up to now is 343.2 secs
Computing kpt #: 217
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 346.2 secs
Computing kpt #: 218
total cpu time spent up to now is 348.6 secs
ethr = 1.79E-08, avg # of iterations = 48.2
total cpu time spent up to now is 348.6 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev):
-5.5739 -5.5739 -2.6073 -2.6073 -2.6071 -2.6071 -2.6062 -2.6062
-0.6119 -0.6119 -0.6113 -0.6113 -0.6112 -0.6112 1.1975 1.1975
1.6419 1.6419 1.6523 1.6523 1.6524 1.6524 3.5402 3.5402
3.5499 3.5499 3.5499 3.5499 4.0587 4.0587 4.0587 4.0587
4.5256 4.5256 5.2781 5.2781 5.2850 5.2850 5.2851 5.2851
6.4523 6.4523 6.4803 6.4803 6.4804 6.4804 8.8339 8.8339
8.8387 8.8387 8.8388 8.8388 10.0910 10.0910 10.0910 10.0910
11.4810 11.4810 11.8251 11.8251 12.8141 12.8141 12.8473 12.8473
12.8473 12.8473 14.6471 14.6472
k = 0.0000 0.0179-0.0000 ( 6095 PWs) bands (ev):
-5.5726 -5.5726 -2.6137 -2.6137 -2.6064 -2.6064 -2.6057 -2.6057
-0.6113 -0.6113 -0.6104 -0.6104 -0.6056 -0.6056 1.1847 1.1847
1.6406 1.6406 1.6522 1.6522 1.6584 1.6584 3.5385 3.5385
3.5479 3.5479 3.5561 3.5561 4.0531 4.0531 4.0646 4.0646
4.5199 4.5199 5.2818 5.2818 5.2910 5.2910 5.2942 5.2942
6.4511 6.4511 6.4762 6.4762 6.4847 6.4847 8.8326 8.8326
8.8409 8.8409 8.8440 8.8440 10.0747 10.0747 10.0914 10.0914
11.4868 11.4868 11.8132 11.8132 12.8205 12.8205 12.8483 12.8483
12.8689 12.8689 14.5338 14.5338
k = 0.0000 0.0357-0.0000 ( 6111 PWs) bands (ev):
-5.5687 -5.5687 -2.6338 -2.6338 -2.6040 -2.6040 -2.6032 -2.6032
-0.6105 -0.6105 -0.6076 -0.6076 -0.5884 -0.5884 1.1493 1.1493
1.6256 1.6256 1.6597 1.6597 1.6773 1.6773 3.5240 3.5240
3.5474 3.5474 3.5787 3.5787 4.0370 4.0370 4.0823 4.0823
4.5034 4.5034 5.2840 5.2840 5.3169 5.3169 5.3209 5.3209
6.4413 6.4413 6.4651 6.4651 6.5026 6.5026 8.8216 8.8216
8.8530 8.8530 8.8609 8.8609 10.0264 10.0264 10.0925 10.0925
11.5040 11.5040 11.7824 11.7824 12.8271 12.8271 12.8514 12.8514
12.9401 12.9401 14.3566 14.3566
k = 0.0000 0.0536-0.0000 ( 6119 PWs) bands (ev):
-5.5623 -5.5623 -2.6664 -2.6664 -2.6000 -2.6000 -2.5991 -2.5991
-0.6093 -0.6093 -0.6028 -0.6028 -0.5608 -0.5608 1.0969 1.0969
1.5990 1.5990 1.6735 1.6735 1.7036 1.7036 3.4986 3.4986
3.5478 3.5478 3.6164 3.6164 4.0121 4.0121 4.1116 4.1116
4.4770 4.4770 5.2862 5.2862 5.3598 5.3598 5.3640 5.3640
6.4189 6.4189 6.4498 6.4498 6.5355 6.5355 8.8030 8.8030
8.8726 8.8726 8.8891 8.8891 9.9483 9.9483 10.0943 10.0943
11.5321 11.5321 11.7430 11.7430 12.8332 12.8332 12.8566 12.8566
13.0479 13.0479 14.1726 14.1726
k = 0.0000 0.0714-0.0000 ( 6119 PWs) bands (ev):
-5.5533 -5.5533 -2.7102 -2.7102 -2.5945 -2.5945 -2.5934 -2.5934
-0.6076 -0.6076 -0.5961 -0.5961 -0.5244 -0.5244 1.0330 1.0330
1.5636 1.5636 1.6928 1.6928 1.7317 1.7317 3.4654 3.4654
3.5480 3.5480 3.6669 3.6669 3.9808 3.9808 4.1524 4.1524
4.4424 4.4424 5.2891 5.2891 5.4161 5.4161 5.4220 5.4220
6.3852 6.3852 6.4314 6.4314 6.5808 6.5808 8.7778 8.7778
8.8985 8.8985 8.9276 8.9276 9.8437 9.8437 10.0969 10.0969
11.5703 11.5703 11.7037 11.7037 12.8406 12.8406 12.8638 12.8638
13.1757 13.1757 13.9866 13.9866
k = 0.0000 0.0893-0.0000 ( 6123 PWs) bands (ev):
-5.5417 -5.5417 -2.7638 -2.7638 -2.5875 -2.5875 -2.5860 -2.5860
-0.6057 -0.6057 -0.5876 -0.5876 -0.4807 -0.4807 0.9614 0.9614
1.5213 1.5213 1.7174 1.7174 1.7576 1.7576 3.4267 3.4267
3.5475 3.5475 3.7282 3.7282 3.9458 3.9458 4.2042 4.2042
4.4017 4.4017 5.2931 5.2931 5.4826 5.4826 5.4932 5.4932
6.3425 6.3425 6.4105 6.4105 6.6359 6.6359 8.7470 8.7470
8.9298 8.9298 8.9750 8.9750 9.7167 9.7167 10.1001 10.1001
11.6174 11.6174 11.6697 11.6697 12.8498 12.8498 12.8731 12.8731
13.3096 13.3096 13.8012 13.8012
k = 0.0000 0.1071-0.0000 ( 6131 PWs) bands (ev):
-5.5276 -5.5276 -2.8255 -2.8255 -2.5790 -2.5790 -2.5771 -2.5771
-0.6035 -0.6035 -0.5771 -0.5771 -0.4316 -0.4316 0.8847 0.8847
1.4739 1.4739 1.7473 1.7473 1.7789 1.7789 3.3849 3.3849
3.5457 3.5457 3.7978 3.7978 3.9094 3.9094 4.2667 4.2667
4.3570 4.3570 5.2983 5.2983 5.5570 5.5570 5.5752 5.5752
6.2926 6.2926 6.3876 6.3876 6.6985 6.6985 8.7115 8.7115
8.9648 8.9648 9.0299 9.0299 9.5720 9.5720 10.1038 10.1038
11.6428 11.6428 11.6725 11.6725 12.8608 12.8608 12.8845 12.8845
13.4367 13.4367 13.6186 13.6186
k = 0.0000 0.1250-0.0000 ( 6143 PWs) bands (ev):
-5.5109 -5.5109 -2.8939 -2.8939 -2.5692 -2.5692 -2.5666 -2.5666
-0.6011 -0.6011 -0.5648 -0.5648 -0.3791 -0.3791 0.8047 0.8047
1.4233 1.4233 1.7821 1.7821 1.7945 1.7945 3.3423 3.3423
3.5416 3.5416 3.8700 3.8700 3.8770 3.8770 4.3105 4.3105
4.3397 4.3397 5.3051 5.3051 5.6373 5.6373 5.6657 5.6657
6.2376 6.2376 6.3638 6.3638 6.7662 6.7662 8.6725 8.6725
9.0019 9.0019 9.0910 9.0910 9.4143 9.4143 10.1081 10.1081
11.6234 11.6234 11.7333 11.7333 12.8735 12.8735 12.8979 12.8979
13.4406 13.4406 13.4968 13.4968
k = 0.0000 0.1429-0.0000 ( 6135 PWs) bands (ev):
-5.4917 -5.4917 -2.9677 -2.9677 -2.5580 -2.5580 -2.5547 -2.5547
-0.5988 -0.5988 -0.5508 -0.5508 -0.3248 -0.3248 0.7226 0.7226
1.3709 1.3709 1.8026 1.8026 1.8223 1.8223 3.3009 3.3009
3.5342 3.5342 3.8395 3.8395 3.9531 3.9531 4.2654 4.2654
4.4217 4.4217 5.3142 5.3142 5.7213 5.7213 5.7615 5.7615
6.1800 6.1800 6.3402 6.3402 6.8366 6.8366 8.6310 8.6310
9.0391 9.0391 9.1563 9.1563 9.2488 9.2488 10.1128 10.1128
11.6107 11.6107 11.7980 11.7980 12.8880 12.8880 12.9129 12.9129
13.2698 13.2698 13.2999 13.2999
k = 0.0000 0.1607-0.0000 ( 6131 PWs) bands (ev):
-5.4699 -5.4699 -3.0457 -3.0457 -2.5455 -2.5455 -2.5415 -2.5415
-0.5965 -0.5965 -0.5349 -0.5349 -0.2701 -0.2701 0.6395 0.6395
1.3181 1.3181 1.8042 1.8042 1.8661 1.8661 3.2630 3.2630
3.5220 3.5220 3.8092 3.8092 4.0335 4.0335 4.2236 4.2236
4.5128 4.5128 5.3263 5.3263 5.8075 5.8075 5.8559 5.8559
6.1262 6.1262 6.3179 6.3179 6.9069 6.9069 8.5881 8.5881
9.0673 9.0673 9.0829 9.0829 9.2283 9.2283 10.1178 10.1178
11.6037 11.6037 11.8635 11.8635 12.9040 12.9040 12.9283 12.9283
13.1093 13.1093 13.1112 13.1112
k = 0.0000 0.1786-0.0000 ( 6127 PWs) bands (ev):
-5.4455 -5.4455 -3.1269 -3.1269 -2.5318 -2.5318 -2.5270 -2.5270
-0.5946 -0.5946 -0.5174 -0.5174 -0.2166 -0.2166 0.5559 0.5559
1.2663 1.2663 1.7987 1.7987 1.9133 1.9133 3.2307 3.2307
3.5038 3.5038 3.7832 3.7832 4.1125 4.1125 4.1875 4.1875
4.6120 4.6120 5.3426 5.3426 5.8939 5.8939 5.9228 5.9228
6.1023 6.1023 6.2981 6.2981 6.9737 6.9737 8.5448 8.5448
8.9041 8.9041 9.1068 9.1068 9.3001 9.3001 10.1229 10.1229
11.6015 11.6015 11.9248 11.9248 12.9119 12.9119 12.9286 12.9286
12.9357 12.9357 12.9858 12.9858
k = 0.0000 0.1964-0.0000 ( 6127 PWs) bands (ev):
-5.4187 -5.4187 -3.2105 -3.2105 -2.5170 -2.5170 -2.5114 -2.5114
-0.5930 -0.5930 -0.4982 -0.4982 -0.1654 -0.1654 0.4727 0.4727
1.2163 1.2163 1.7862 1.7862 1.9627 1.9627 3.2062 3.2062
3.4784 3.4784 3.7621 3.7621 4.1589 4.1589 4.1874 4.1874
4.7187 4.7187 5.3645 5.3645 5.9102 5.9102 5.9800 5.9800
6.1594 6.1594 6.2817 6.2817 7.0327 7.0327 8.5020 8.5020
8.7379 8.7379 9.1317 9.1317 9.3737 9.3737 10.1281 10.1281
11.6034 11.6034 11.9725 11.9725 12.7826 12.7826 12.8000 12.8000
12.9435 12.9435 12.9838 12.9838
k = 0.0000 0.2143-0.0000 ( 6135 PWs) bands (ev):
-5.3893 -5.3893 -3.2957 -3.2957 -2.5013 -2.5013 -2.4948 -2.4948
-0.5920 -0.5920 -0.4773 -0.4773 -0.1175 -0.1175 0.3902 0.3902
1.1693 1.1693 1.7673 1.7673 2.0131 2.0131 3.1917 3.1917
3.4452 3.4452 3.7463 3.7463 4.1397 4.1397 4.2546 4.2546
4.8319 4.8319 5.3937 5.3937 5.8525 5.8525 6.0630 6.0630
6.2638 6.2638 6.2699 6.2699 7.0783 7.0783 8.4605 8.4605
8.5822 8.5822 9.1479 9.1479 9.4476 9.4476 10.1331 10.1331
11.6087 11.6087 11.9905 11.9905 12.6686 12.6686 12.6751 12.6751
12.9648 12.9648 13.0056 13.0056
k = 0.0000 0.2321-0.0000 ( 6143 PWs) bands (ev):
-5.3574 -5.3574 -3.3819 -3.3819 -2.4847 -2.4847 -2.4773 -2.4773
-0.5916 -0.5916 -0.4550 -0.4550 -0.0736 -0.0736 0.3089 0.3089
1.1260 1.1260 1.7424 1.7424 2.0626 2.0626 3.1897 3.1897
3.4044 3.4044 3.7358 3.7358 4.1299 4.1299 4.3120 4.3120
4.9510 4.9510 5.4318 5.4318 5.7829 5.7829 6.1422 6.1422
6.2631 6.2631 6.3821 6.3821 7.1028 7.1028 8.4209 8.4209
8.4450 8.4450 9.1530 9.1530 9.5209 9.5209 10.1379 10.1379
11.6168 11.6168 11.9591 11.9591 12.5629 12.5629 12.6141 12.6141
12.9881 12.9881 13.0312 13.0312
k = 0.0000 0.2500-0.0000 ( 6135 PWs) bands (ev):
-5.3230 -5.3230 -3.4687 -3.4687 -2.4673 -2.4673 -2.4592 -2.4592
-0.5919 -0.5919 -0.4311 -0.4311 -0.0344 -0.0344 0.2293 0.2293
1.0869 1.0869 1.7123 1.7123 2.1096 2.1096 3.2024 3.2024
3.3567 3.3567 3.7308 3.7308 4.1292 4.1292 4.3572 4.3572
5.0750 5.0750 5.4799 5.4799 5.7093 5.7093 6.2155 6.2155
6.2633 6.2633 6.5057 6.5057 7.0973 7.0973 8.3339 8.3339
8.3847 8.3847 9.1448 9.1448 9.5926 9.5926 10.1423 10.1423
11.6274 11.6274 11.8763 11.8763 12.4665 12.4665 12.6206 12.6206
13.0131 13.0131 13.0588 13.0588
k = 0.0000 0.2679-0.0000 ( 6139 PWs) bands (ev):
-5.2861 -5.2861 -3.5556 -3.5556 -2.4495 -2.4495 -2.4406 -2.4406
-0.5929 -0.5929 -0.4060 -0.4060 -0.0004 -0.0004 0.1517 0.1517
1.0528 1.0528 1.6776 1.6776 2.1525 2.1525 3.2315 3.2315
3.3035 3.3035 3.7311 3.7311 4.1368 4.1368 4.3891 4.3891
5.2033 5.2033 5.5380 5.5380 5.6342 5.6342 6.2632 6.2632
6.2896 6.2896 6.6323 6.6323 7.0541 7.0541 8.2576 8.2576
8.3509 8.3509 9.1218 9.1218 9.6620 9.6620 10.1460 10.1460
11.6402 11.6402 11.7624 11.7624 12.3862 12.3862 12.6689 12.6689
13.0393 13.0393 13.0867 13.0867
k = 0.0000 0.2857-0.0000 ( 6131 PWs) bands (ev):
-5.2467 -5.2467 -3.6423 -3.6423 -2.4313 -2.4313 -2.4217 -2.4217
-0.5945 -0.5945 -0.3795 -0.3795 0.0281 0.0281 0.0765 0.0765
1.0240 1.0240 1.6391 1.6391 2.1905 2.1905 3.2458 3.2458
3.2787 3.2787 3.7363 3.7363 4.1517 4.1517 4.4075 4.4075
5.3347 5.3347 5.5572 5.5572 5.6066 5.6066 6.2789 6.2789
6.3482 6.3482 6.7604 6.7604 6.9712 6.9712 8.2168 8.2168
8.3200 8.3200 9.0829 9.0829 9.7282 9.7282 10.1491 10.1491
11.6376 11.6376 11.6550 11.6550 12.3207 12.3207 12.7392 12.7392
13.0650 13.0650 13.1080 13.1080
k = 0.0000 0.3036-0.0000 ( 6139 PWs) bands (ev):
-5.2048 -5.2048 -3.7285 -3.7285 -2.4129 -2.4129 -2.4028 -2.4028
-0.5967 -0.5967 -0.3519 -0.3519 0.0039 0.0039 0.0510 0.0510
1.0009 1.0009 1.5975 1.5975 2.2235 2.2235 3.1857 3.1857
3.3431 3.3431 3.7463 3.7463 4.1728 4.1728 4.4132 4.4132
5.4672 5.4672 5.4830 5.4830 5.6802 5.6802 6.3008 6.3008
6.4012 6.4012 6.8532 6.8532 6.8896 6.8896 8.2057 8.2057
8.2916 8.2916 9.0281 9.0281 9.7905 9.7905 10.1514 10.1514
11.5141 11.5141 11.6719 11.6719 12.2667 12.2667 12.8203 12.8203
13.0667 13.0667 13.0879 13.0879
k = 0.0000 0.3214-0.0000 ( 6127 PWs) bands (ev):
-5.1606 -5.1606 -3.8139 -3.8139 -2.3947 -2.3947 -2.3842 -2.3842
-0.5991 -0.5991 -0.3233 -0.3233 -0.0657 -0.0657 0.0682 0.0682
0.9837 0.9837 1.5535 1.5535 2.2521 2.2521 3.1238 3.1238
3.4246 3.4246 3.7607 3.7607 4.1992 4.1992 4.4079 4.4079
5.4066 5.4066 5.6030 5.6030 5.7580 5.7580 6.3317 6.3317
6.4466 6.4466 6.7095 6.7095 7.0182 7.0182 8.2144 8.2144
8.2651 8.2651 8.9580 8.9580 9.8484 9.8484 10.1529 10.1529
11.3990 11.3990 11.6911 11.6911 12.2180 12.2180 12.9056 12.9056
12.9749 12.9749 13.0463 13.0463
k = 0.0000 0.3393-0.0000 ( 6127 PWs) bands (ev):
-5.1139 -5.1139 -3.8982 -3.8982 -2.3767 -2.3767 -2.3661 -2.3661
-0.6015 -0.6015 -0.2938 -0.2938 -0.1319 -0.1319 0.0797 0.0797
0.9724 0.9724 1.5078 1.5078 2.2777 2.2777 3.0610 3.0610
3.5216 3.5216 3.7792 3.7792 4.2301 4.2301 4.3933 4.3933
5.3325 5.3325 5.7366 5.7366 5.8358 5.8358 6.3729 6.3729
6.4848 6.4848 6.5483 6.5483 7.1461 7.1461 8.2316 8.2316
8.2409 8.2409 8.8741 8.8741 9.9015 9.9015 10.1537 10.1537
11.2970 11.2970 11.7129 11.7129 12.1658 12.1658 12.8900 12.8900
12.9584 12.9584 12.9916 12.9916
k = 0.0000 0.3571-0.0000 ( 6134 PWs) bands (ev):
-5.0648 -5.0648 -3.9814 -3.9814 -2.3594 -2.3594 -2.3488 -2.3488
-0.6034 -0.6034 -0.2636 -0.2636 -0.1945 -0.1945 0.0856 0.0856
0.9671 0.9671 1.4610 1.4610 2.3017 2.3017 2.9983 2.9983
3.6320 3.6320 3.8014 3.8014 4.2650 4.2650 4.3711 4.3711
5.2598 5.2598 5.8670 5.8670 5.9100 5.9100 6.3750 6.3750
6.4260 6.4260 6.5173 6.5173 7.2722 7.2722 8.2111 8.2111
8.2562 8.2562 8.7785 8.7785 9.9492 9.9492 10.1538 10.1538
11.2114 11.2114 11.7379 11.7379 12.1007 12.1007 12.8341 12.8341
12.8620 12.8620 13.0743 13.0743
k = 0.0000 0.3750-0.0000 ( 6166 PWs) bands (ev):
-5.0133 -5.0133 -4.0633 -4.0633 -2.3429 -2.3429 -2.3327 -2.3327
-0.6043 -0.6043 -0.2533 -0.2533 -0.2329 -0.2329 0.0864 0.0864
0.9676 0.9676 1.4138 1.4138 2.3255 2.3255 2.9362 2.9362
3.7539 3.7539 3.8271 3.8271 4.3031 4.3031 4.3431 4.3431
5.1889 5.1889 5.9767 5.9767 5.9917 5.9917 6.1967 6.1967
6.4883 6.4883 6.5469 6.5469 7.3958 7.3958 8.1820 8.1820
8.2749 8.2749 8.6739 8.6739 9.9914 9.9914 10.1535 10.1535
11.1450 11.1450 11.7667 11.7667 12.0175 12.0175 12.7629 12.7629
12.8144 12.8144 13.1504 13.1504
k = 0.0000 0.3929-0.0000 ( 6146 PWs) bands (ev):
-4.9594 -4.9594 -4.1436 -4.1436 -2.3277 -2.3277 -2.3181 -2.3181
-0.6037 -0.6037 -0.3078 -0.3078 -0.2019 -0.2019 0.0821 0.0821
0.9738 0.9738 1.3667 1.3667 2.3503 2.3503 2.8754 2.8754
3.8554 3.8554 3.8856 3.8856 4.3103 4.3103 4.3443 4.3443
5.1205 5.1205 6.0121 6.0121 6.0399 6.0399 6.1021 6.1021
6.5576 6.5576 6.5805 6.5805 7.5160 7.5160 8.1499 8.1499
8.2866 8.2866 8.5633 8.5633 10.0280 10.0280 10.1529 10.1529
11.0996 11.0996 11.8000 11.8000 11.9177 11.9177 12.6648 12.6648
12.8264 12.8264 13.1795 13.1795
k = 0.0000 0.4107-0.0000 ( 6146 PWs) bands (ev):
-4.9033 -4.9033 -4.2224 -4.2224 -2.3139 -2.3139 -2.3053 -2.3053
-0.6010 -0.6010 -0.3579 -0.3579 -0.1708 -0.1708 0.0733 0.0733
0.9854 0.9854 1.3202 1.3202 2.3772 2.3772 2.8162 2.8162
3.8870 3.8870 4.0239 4.0239 4.2744 4.2744 4.3875 4.3875
5.0556 5.0556 5.8308 5.8308 6.0910 6.0910 6.1923 6.1923
6.6130 6.6130 6.6415 6.6415 7.6316 7.6316 8.1150 8.1150
8.2883 8.2883 8.4503 8.4503 10.0589 10.0589 10.1521 10.1521
11.0765 11.0765 11.8071 11.8071 11.8388 11.8388 12.5676 12.5676
12.8643 12.8643 13.1744 13.1744
k = 0.0000 0.4286-0.0000 ( 6154 PWs) bands (ev):
-4.8448 -4.8448 -4.2994 -4.2994 -2.3019 -2.3019 -2.2945 -2.2945
-0.5956 -0.5956 -0.4035 -0.4035 -0.1398 -0.1398 0.0603 0.0603
1.0021 1.0021 1.2747 1.2747 2.4067 2.4067 2.7590 2.7590
3.9208 3.9208 4.1668 4.1668 4.2361 4.2361 4.4323 4.4323
4.9959 4.9959 5.6488 5.6488 6.1373 6.1373 6.2541 6.2541
6.6677 6.6677 6.7166 6.7166 7.7417 7.7417 8.0791 8.0791
8.2779 8.2779 8.3393 8.3393 10.0844 10.0844 10.1512 10.1512
11.0759 11.0759 11.6922 11.6922 11.8835 11.8835 12.4724 12.4724
12.9205 12.9205 13.1789 13.1789
k = 0.0000 0.4464-0.0000 ( 6142 PWs) bands (ev):
-4.7841 -4.7841 -4.3747 -4.3747 -2.2920 -2.2920 -2.2862 -2.2862
-0.5869 -0.5869 -0.4442 -0.4442 -0.1094 -0.1094 0.0436 0.0436
1.0236 1.0236 1.2308 1.2308 2.4392 2.4392 2.7043 2.7043
3.9567 3.9567 4.1962 4.1962 4.3093 4.3093 4.4774 4.4774
4.9451 4.9451 5.4700 5.4700 6.1782 6.1782 6.2862 6.2862
6.7330 6.7330 6.7858 6.7858 7.8450 7.8450 8.0460 8.0460
8.2352 8.2352 8.2543 8.2543 10.1046 10.1046 10.1500 10.1500
11.0971 11.0971 11.5778 11.5778 11.9347 11.9347 12.3801 12.3801
12.9883 12.9883 13.1930 13.1930
k = 0.0000 0.4643-0.0000 ( 6130 PWs) bands (ev):
-4.7211 -4.7211 -4.4480 -4.4480 -2.2844 -2.2844 -2.2803 -2.2803
-0.5745 -0.5745 -0.4800 -0.4800 -0.0797 -0.0797 0.0237 0.0237
1.0494 1.0494 1.1889 1.1889 2.4751 2.4751 2.6522 2.6522
3.9944 3.9944 4.1555 4.1555 4.4410 4.4410 4.5205 4.5205
4.9129 4.9129 5.2973 5.2973 6.2141 6.2141 6.2950 6.2950
6.7984 6.7984 6.8406 6.8406 7.9401 7.9401 8.0219 8.0219
8.1446 8.1446 8.2170 8.2170 10.1202 10.1202 10.1480 10.1480
11.1389 11.1389 11.4682 11.4682 11.9929 11.9929 12.2916 12.2916
13.0619 13.0619 13.2156 13.2156
k = 0.0000 0.4821-0.0000 ( 6126 PWs) bands (ev):
-4.6560 -4.6560 -4.5194 -4.5194 -2.2793 -2.2793 -2.2772 -2.2772
-0.5579 -0.5579 -0.5108 -0.5108 -0.0512 -0.0512 0.0009 0.0009
1.0793 1.0793 1.1494 1.1494 2.5144 2.5144 2.6031 2.6031
4.0335 4.0335 4.1144 4.1144 4.5378 4.5378 4.5565 4.5565
4.9228 4.9228 5.1367 5.1367 6.2450 6.2450 6.2878 6.2878
6.8499 6.8499 6.8730 6.8730 8.0116 8.0116 8.0280 8.0280
8.0749 8.0749 8.1663 8.1663 10.1316 10.1316 10.1447 10.1447
11.1994 11.1994 11.3666 11.3666 12.0580 12.0580 12.2079 12.2079
13.1356 13.1356 13.2424 13.2424
k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev):
-4.5888 -4.5888 -4.5887 -4.5887 -2.2770 -2.2770 -2.2768 -2.2768
-0.5368 -0.5368 -0.5367 -0.5367 -0.0242 -0.0242 -0.0241 -0.0241
1.1127 1.1127 1.1128 1.1128 2.5570 2.5570 2.5571 2.5571
4.0736 4.0736 4.0736 4.0736 4.5717 4.5717 4.5717 4.5717
5.0022 5.0022 5.0022 5.0022 6.2701 6.2701 6.2702 6.2702
6.8766 6.8766 6.8767 6.8767 8.0292 8.0292 8.0293 8.0293
8.1031 8.1031 8.1031 8.1031 10.1395 10.1395 10.1396 10.1396
11.2761 11.2761 11.2761 11.2761 12.1298 12.1298 12.1298 12.1298
13.2030 13.2030 13.2031 13.2031
k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev):
-4.5888 -4.5888 -4.5887 -4.5887 -2.2770 -2.2770 -2.2768 -2.2768
-0.5368 -0.5368 -0.5367 -0.5367 -0.0242 -0.0242 -0.0241 -0.0241
1.1127 1.1127 1.1128 1.1128 2.5570 2.5570 2.5571 2.5571
4.0736 4.0736 4.0736 4.0736 4.5717 4.5717 4.5717 4.5717
5.0022 5.0022 5.0022 5.0022 6.2701 6.2701 6.2702 6.2702
6.8766 6.8766 6.8767 6.8767 8.0292 8.0292 8.0293 8.0293
8.1031 8.1031 8.1031 8.1031 10.1395 10.1395 10.1396 10.1396
11.2761 11.2761 11.2761 11.2761 12.1298 12.1298 12.1298 12.1298
13.2030 13.2030 13.2031 13.2031
k = 0.0179 0.5000-0.0000 ( 6130 PWs) bands (ev):
-4.5876 -4.5876 -4.5874 -4.5874 -2.2792 -2.2792 -2.2790 -2.2790
-0.5412 -0.5412 -0.5411 -0.5411 -0.0243 -0.0243 -0.0243 -0.0243
1.1218 1.1218 1.1219 1.1219 2.5522 2.5522 2.5523 2.5523
4.0686 4.0686 4.0686 4.0686 4.5762 4.5762 4.5762 4.5762
5.0066 5.0066 5.0066 5.0066 6.2753 6.2753 6.2754 6.2754
6.8776 6.8776 6.8777 6.8777 8.0270 8.0270 8.0271 8.0271
8.1022 8.1022 8.1022 8.1022 10.1289 10.1289 10.1289 10.1289
11.2808 11.2808 11.2809 11.2809 12.1320 12.1320 12.1320 12.1320
13.1947 13.1947 13.1947 13.1948
k = 0.0357 0.5000-0.0000 ( 6134 PWs) bands (ev):
-4.5838 -4.5838 -4.5837 -4.5837 -2.2860 -2.2860 -2.2858 -2.2858
-0.5538 -0.5538 -0.5537 -0.5537 -0.0248 -0.0248 -0.0247 -0.0247
1.1486 1.1486 1.1487 1.1487 2.5380 2.5380 2.5381 2.5381
4.0537 4.0537 4.0537 4.0537 4.5893 4.5893 4.5893 4.5893
5.0199 5.0199 5.0199 5.0199 6.2906 6.2906 6.2907 6.2907
6.8810 6.8810 6.8811 6.8811 8.0206 8.0206 8.0207 8.0207
8.0997 8.0997 8.0997 8.0997 10.0974 10.0974 10.0975 10.0975
11.2949 11.2949 11.2949 11.2949 12.1376 12.1376 12.1376 12.1376
13.1549 13.1549 13.1550 13.1550
k = 0.0536 0.5000-0.0000 ( 6126 PWs) bands (ev):
-4.5777 -4.5777 -4.5775 -4.5775 -2.2974 -2.2974 -2.2972 -2.2972
-0.5734 -0.5734 -0.5733 -0.5733 -0.0256 -0.0256 -0.0255 -0.0255
1.1919 1.1919 1.1919 1.1919 2.5151 2.5151 2.5152 2.5152
4.0297 4.0297 4.0298 4.0298 4.6096 4.6096 4.6096 4.6096
5.0427 5.0427 5.0428 5.0428 6.3145 6.3145 6.3146 6.3146
6.8874 6.8874 6.8875 6.8875 8.0101 8.0101 8.0102 8.0102
8.0955 8.0955 8.0955 8.0955 10.0464 10.0464 10.0465 10.0465
11.3177 11.3177 11.3178 11.3178 12.1438 12.1438 12.1439 12.1439
13.0604 13.0604 13.0605 13.0605
k = 0.0714 0.5000-0.0000 ( 6136 PWs) bands (ev):
-4.5690 -4.5690 -4.5689 -4.5689 -2.3135 -2.3135 -2.3133 -2.3133
-0.5983 -0.5983 -0.5982 -0.5982 -0.0268 -0.0268 -0.0267 -0.0267
1.2497 1.2497 1.2498 1.2498 2.4848 2.4848 2.4848 2.4848
3.9979 3.9979 3.9979 3.9979 4.6353 4.6353 4.6354 4.6354
5.0759 5.0759 5.0759 5.0759 6.3447 6.3447 6.3448 6.3448
6.8979 6.8979 6.8980 6.8980 7.9962 7.9962 7.9963 7.9963
8.0892 8.0892 8.0892 8.0892 9.9778 9.9778 9.9779 9.9779
11.3487 11.3487 11.3487 11.3487 12.1460 12.1460 12.1461 12.1461
12.9668 12.9668 12.9669 12.9669
k = 0.0893 0.5000-0.0000 ( 6134 PWs) bands (ev):
-4.5579 -4.5579 -4.5578 -4.5578 -2.3343 -2.3343 -2.3341 -2.3341
-0.6264 -0.6264 -0.6264 -0.6264 -0.0285 -0.0285 -0.0284 -0.0284
1.3200 1.3200 1.3201 1.3201 2.4482 2.4482 2.4483 2.4483
3.9596 3.9596 3.9597 3.9597 4.6643 4.6643 4.6643 4.6643
5.1200 5.1200 5.1200 5.1200 6.3781 6.3781 6.3782 6.3782
6.9141 6.9141 6.9142 6.9142 7.9793 7.9793 7.9795 7.9795
8.0807 8.0807 8.0807 8.0807 9.8939 9.8939 9.8940 9.8940
11.3866 11.3866 11.3866 11.3866 12.1382 12.1382 12.1382 12.1382
12.8886 12.8886 12.8887 12.8887
k = 0.1071 0.5000-0.0000 ( 6142 PWs) bands (ev):
-4.5443 -4.5443 -4.5442 -4.5442 -2.3600 -2.3600 -2.3598 -2.3598
-0.6560 -0.6560 -0.6559 -0.6559 -0.0309 -0.0309 -0.0308 -0.0308
1.4005 1.4005 1.4006 1.4006 2.4070 2.4070 2.4071 2.4071
3.9165 3.9165 3.9166 3.9166 4.6947 4.6947 4.6948 4.6948
5.1755 5.1755 5.1755 5.1755 6.4109 6.4109 6.4110 6.4110
6.9383 6.9383 6.9384 6.9384 7.9604 7.9604 7.9605 7.9605
8.0694 8.0694 8.0694 8.0694 9.7972 9.7972 9.7973 9.7973
11.4300 11.4300 11.4301 11.4301 12.1146 12.1146 12.1146 12.1146
12.8332 12.8332 12.8333 12.8333
k = 0.1250 0.5000-0.0000 ( 6150 PWs) bands (ev):
-4.5283 -4.5283 -4.5282 -4.5282 -2.3906 -2.3906 -2.3904 -2.3904
-0.6852 -0.6852 -0.6851 -0.6851 -0.0340 -0.0340 -0.0339 -0.0339
1.4891 1.4891 1.4891 1.4891 2.3625 2.3625 2.3625 2.3625
3.8704 3.8704 3.8704 3.8704 4.7253 4.7253 4.7253 4.7253
5.2421 5.2421 5.2422 5.2422 6.4392 6.4392 6.4393 6.4393
6.9727 6.9727 6.9728 6.9728 7.9400 7.9400 7.9401 7.9401
8.0549 8.0549 8.0549 8.0549 9.6902 9.6902 9.6903 9.6903
11.4773 11.4773 11.4773 11.4773 12.0724 12.0724 12.0724 12.0724
12.8036 12.8036 12.8036 12.8036
k = 0.1429 0.5000-0.0000 ( 6146 PWs) bands (ev):
-4.5098 -4.5098 -4.5097 -4.5097 -2.4261 -2.4261 -2.4259 -2.4259
-0.7125 -0.7125 -0.7125 -0.7125 -0.0380 -0.0380 -0.0379 -0.0379
1.5835 1.5835 1.5835 1.5835 2.3160 2.3160 2.3161 2.3161
3.8230 3.8230 3.8231 3.8231 4.7554 4.7554 4.7554 4.7554
5.3192 5.3192 5.3192 5.3192 6.4597 6.4597 6.4598 6.4598
7.0189 7.0189 7.0190 7.0190 7.9190 7.9190 7.9191 7.9191
8.0364 8.0364 8.0364 8.0364 9.5757 9.5757 9.5758 9.5758
11.5262 11.5262 11.5263 11.5263 12.0135 12.0135 12.0136 12.0136
12.7971 12.7971 12.7972 12.7972
k = 0.1607 0.5000-0.0000 ( 6150 PWs) bands (ev):
-4.4889 -4.4889 -4.4888 -4.4888 -2.4664 -2.4664 -2.4662 -2.4662
-0.7370 -0.7370 -0.7369 -0.7369 -0.0431 -0.0431 -0.0430 -0.0430
1.6816 1.6816 1.6816 1.6816 2.2690 2.2690 2.2690 2.2690
3.7764 3.7764 3.7764 3.7764 4.7848 4.7848 4.7849 4.7849
5.4054 5.4054 5.4054 5.4054 6.4707 6.4707 6.4708 6.4708
7.0772 7.0772 7.0773 7.0773 7.8983 7.8983 7.8984 7.8984
8.0129 8.0129 8.0129 8.0129 9.4563 9.4563 9.4564 9.4564
11.5743 11.5743 11.5743 11.5743 11.9433 11.9433 11.9433 11.9433
12.8078 12.8078 12.8079 12.8079
k = 0.1786 0.5000-0.0000 ( 6146 PWs) bands (ev):
-4.4656 -4.4656 -4.4654 -4.4654 -2.5112 -2.5112 -2.5110 -2.5110
-0.7577 -0.7577 -0.7576 -0.7576 -0.0495 -0.0495 -0.0494 -0.0494
1.7812 1.7812 1.7813 1.7813 2.2224 2.2224 2.2224 2.2224
3.7325 3.7325 3.7326 3.7326 4.8138 4.8138 4.8139 4.8139
5.4992 5.4992 5.4993 5.4993 6.4719 6.4719 6.4720 6.4720
7.1464 7.1464 7.1465 7.1465 7.8785 7.8785 7.8786 7.8786
7.9832 7.9832 7.9832 7.9832 9.3350 9.3350 9.3351 9.3351
11.6186 11.6186 11.6186 11.6186 11.8669 11.8669 11.8670 11.8670
12.8294 12.8294 12.8294 12.8294
k = 0.1964 0.5000-0.0000 ( 6150 PWs) bands (ev):
-4.4398 -4.4398 -4.4397 -4.4397 -2.5604 -2.5604 -2.5602 -2.5602
-0.7741 -0.7741 -0.7740 -0.7740 -0.0574 -0.0574 -0.0573 -0.0573
1.8800 1.8800 1.8800 1.8800 2.1772 2.1772 2.1773 2.1773
3.6938 3.6938 3.6938 3.6938 4.8426 4.8426 4.8427 4.8427
5.5992 5.5992 5.5992 5.5992 6.4642 6.4642 6.4643 6.4643
7.2243 7.2243 7.2244 7.2244 7.8604 7.8604 7.8605 7.8605
7.9459 7.9459 7.9459 7.9459 9.2148 9.2148 9.2148 9.2148
11.6560 11.6560 11.6561 11.6561 11.7886 11.7886 11.7887 11.7887
12.8552 12.8552 12.8552 12.8552
k = 0.2143 0.5000-0.0000 ( 6140 PWs) bands (ev):
-4.4117 -4.4117 -4.4116 -4.4116 -2.6135 -2.6135 -2.6133 -2.6133
-0.7859 -0.7859 -0.7859 -0.7859 -0.0670 -0.0670 -0.0669 -0.0669
1.9751 1.9751 1.9752 1.9752 2.1344 2.1344 2.1345 2.1345
3.6628 3.6628 3.6629 3.6629 4.8715 4.8715 4.8715 4.8715
5.7038 5.7038 5.7039 5.7039 6.4487 6.4487 6.4488 6.4488
7.3083 7.3083 7.3084 7.3084 7.8446 7.8446 7.8447 7.8447
7.8993 7.8993 7.8993 7.8993 9.0987 9.0987 9.0988 9.0988
11.6836 11.6836 11.6837 11.6837 11.7115 11.7115 11.7116 11.7116
12.8690 12.8690 12.8690 12.8690
k = 0.2321 0.5000-0.0000 ( 6130 PWs) bands (ev):
-4.3812 -4.3812 -4.3811 -4.3811 -2.6702 -2.6702 -2.6700 -2.6700
-0.7930 -0.7930 -0.7930 -0.7930 -0.0785 -0.0785 -0.0784 -0.0784
2.0634 2.0634 2.0634 2.0634 2.0949 2.0949 2.0950 2.0950
3.6426 3.6426 3.6427 3.6427 4.9006 4.9006 4.9006 4.9006
5.8115 5.8115 5.8115 5.8115 6.4266 6.4266 6.4267 6.4267
7.3958 7.3958 7.3958 7.3958 7.8295 7.8295 7.8296 7.8296
7.8442 7.8442 7.8442 7.8442 8.9899 8.9899 8.9900 8.9900
11.6366 11.6366 11.6366 11.6366 11.7000 11.7000 11.7001 11.7001
12.8837 12.8837 12.8838 12.8838
k = 0.2500 0.5000-0.0000 ( 6158 PWs) bands (ev):
-4.3484 -4.3484 -4.3482 -4.3482 -2.7300 -2.7300 -2.7298 -2.7298
-0.7955 -0.7955 -0.7955 -0.7955 -0.0919 -0.0919 -0.0919 -0.0919
2.0583 2.0583 2.0584 2.0584 2.1426 2.1426 2.1426 2.1426
3.6365 3.6365 3.6365 3.6365 4.9301 4.9301 4.9301 4.9301
5.9206 5.9206 5.9206 5.9206 6.3991 6.3991 6.3992 6.3992
7.4834 7.4834 7.4835 7.4835 7.7705 7.7705 7.7705 7.7705
7.8257 7.8257 7.8258 7.8258 8.8911 8.8911 8.8911 8.8911
11.5660 11.5660 11.5661 11.5661 11.7030 11.7030 11.7031 11.7031
12.9044 12.9044 12.9045 12.9045
k = 0.2679 0.5000-0.0000 ( 6140 PWs) bands (ev):
-4.3132 -4.3132 -4.3131 -4.3131 -2.7924 -2.7924 -2.7922 -2.7922
-0.7935 -0.7935 -0.7935 -0.7935 -0.1076 -0.1076 -0.1075 -0.1075
2.0266 2.0266 2.0266 2.0266 2.2080 2.2080 2.2081 2.2081
3.6475 3.6475 3.6475 3.6475 4.9599 4.9599 4.9600 4.9600
6.0292 6.0292 6.0292 6.0292 6.3670 6.3670 6.3671 6.3671
7.5666 7.5666 7.5666 7.5666 7.6896 7.6896 7.6896 7.6896
7.8246 7.8246 7.8247 7.8247 8.8041 8.8041 8.8041 8.8041
11.5000 11.5000 11.5001 11.5001 11.6934 11.6934 11.6935 11.6935
12.9132 12.9132 12.9132 12.9132
k = 0.2857 0.5000-0.0000 ( 6148 PWs) bands (ev):
-4.2757 -4.2757 -4.2756 -4.2756 -2.8569 -2.8569 -2.8567 -2.8567
-0.7872 -0.7872 -0.7872 -0.7872 -0.1255 -0.1255 -0.1255 -0.1255
1.9994 1.9994 1.9995 1.9995 2.2579 2.2579 2.2579 2.2579
3.6781 3.6781 3.6781 3.6781 4.9901 4.9901 4.9901 4.9901
6.1349 6.1349 6.1350 6.1350 6.3313 6.3313 6.3314 6.3314
7.5947 7.5947 7.5947 7.5947 7.6410 7.6410 7.6411 7.6411
7.8371 7.8371 7.8372 7.8372 8.7297 8.7297 8.7297 8.7297
11.4391 11.4391 11.4392 11.4392 11.6722 11.6722 11.6723 11.6723
12.8746 12.8746 12.8746 12.8746
k = 0.3036 0.5000-0.0000 ( 6136 PWs) bands (ev):
-4.2360 -4.2360 -4.2358 -4.2358 -2.9231 -2.9231 -2.9230 -2.9230
-0.7769 -0.7769 -0.7768 -0.7768 -0.1458 -0.1458 -0.1457 -0.1457
1.9772 1.9772 1.9773 1.9773 2.2908 2.2908 2.2909 2.2909
3.7295 3.7295 3.7296 3.7296 5.0203 5.0203 5.0204 5.0204
6.2343 6.2343 6.2344 6.2344 6.2928 6.2928 6.2929 6.2929
7.4978 7.4978 7.4979 7.4979 7.6874 7.6874 7.6874 7.6874
7.8727 7.8727 7.8728 7.8728 8.6674 8.6674 8.6675 8.6675
11.3835 11.3835 11.3836 11.3836 11.6410 11.6410 11.6411 11.6411
12.7871 12.7871 12.7871 12.7871
k = 0.3214 0.5000-0.0000 ( 6136 PWs) bands (ev):
-4.1940 -4.1940 -4.1938 -4.1938 -2.9906 -2.9906 -2.9904 -2.9904
-0.7628 -0.7628 -0.7628 -0.7628 -0.1683 -0.1683 -0.1682 -0.1682
1.9602 1.9602 1.9603 1.9603 2.3073 2.3073 2.3073 2.3073
3.8012 3.8012 3.8012 3.8012 5.0503 5.0503 5.0504 5.0504
6.2519 6.2519 6.2520 6.2520 6.3227 6.3227 6.3227 6.3227
7.3995 7.3995 7.3996 7.3996 7.7095 7.7095 7.7095 7.7095
7.9316 7.9316 7.9317 7.9317 8.6160 8.6160 8.6161 8.6161
11.3336 11.3336 11.3337 11.3337 11.6016 11.6016 11.6017 11.6017
12.6851 12.6851 12.6851 12.6851
k = 0.3393 0.5000-0.0000 ( 6136 PWs) bands (ev):
-4.1498 -4.1498 -4.1496 -4.1496 -3.0589 -3.0589 -3.0587 -3.0587
-0.7454 -0.7454 -0.7453 -0.7453 -0.1931 -0.1931 -0.1930 -0.1930
1.9485 1.9485 1.9486 1.9486 2.3091 2.3091 2.3091 2.3091
3.8910 3.8910 3.8910 3.8910 5.0796 5.0796 5.0796 5.0796
6.2099 6.2099 6.2100 6.2100 6.3912 6.3912 6.3913 6.3913
7.3110 7.3110 7.3111 7.3111 7.7167 7.7167 7.7168 7.7168
8.0011 8.0011 8.0012 8.0012 8.5739 8.5739 8.5739 8.5739
11.2893 11.2893 11.2894 11.2894 11.5556 11.5556 11.5557 11.5557
12.5877 12.5877 12.5877 12.5877
k = 0.3571 0.5000-0.0000 ( 6134 PWs) bands (ev):
-4.1034 -4.1034 -4.1033 -4.1033 -3.1276 -3.1276 -3.1275 -3.1275
-0.7247 -0.7247 -0.7247 -0.7247 -0.2200 -0.2200 -0.2200 -0.2200
1.9422 1.9422 1.9422 1.9422 2.2989 2.2989 2.2990 2.2990
3.9959 3.9959 3.9960 3.9960 5.1073 5.1073 5.1073 5.1073
6.1673 6.1673 6.1674 6.1674 6.4289 6.4289 6.4290 6.4290
7.2459 7.2459 7.2459 7.2459 7.7170 7.7170 7.7170 7.7170
8.0715 8.0715 8.0716 8.0716 8.5392 8.5392 8.5393 8.5393
11.2507 11.2507 11.2508 11.2508 11.5049 11.5049 11.5050 11.5050
12.5024 12.5024 12.5024 12.5024
k = 0.3750 0.5000-0.0000 ( 6154 PWs) bands (ev):
-4.0549 -4.0549 -4.0548 -4.0548 -3.1965 -3.1965 -3.1964 -3.1964
-0.7013 -0.7013 -0.7013 -0.7013 -0.2489 -0.2489 -0.2488 -0.2488
1.9411 1.9411 1.9411 1.9411 2.2797 2.2797 2.2797 2.2797
4.1128 4.1128 4.1128 4.1128 5.1323 5.1323 5.1324 5.1324
6.1250 6.1250 6.1251 6.1251 6.4247 6.4247 6.4248 6.4248
7.2171 7.2171 7.2171 7.2171 7.7131 7.7131 7.7131 7.7131
8.1378 8.1378 8.1379 8.1379 8.5107 8.5107 8.5108 8.5108
11.2180 11.2180 11.2181 11.2181 11.4514 11.4514 11.4515 11.4515
12.4323 12.4323 12.4324 12.4324
k = 0.3929 0.5000-0.0000 ( 6142 PWs) bands (ev):
-4.0043 -4.0043 -4.0042 -4.0042 -3.2653 -3.2653 -3.2651 -3.2651
-0.6754 -0.6754 -0.6753 -0.6753 -0.2795 -0.2795 -0.2795 -0.2795
1.9451 1.9451 1.9451 1.9451 2.2539 2.2539 2.2540 2.2540
4.2383 4.2383 4.2383 4.2383 5.1531 5.1531 5.1531 5.1531
6.0839 6.0839 6.0839 6.0839 6.3779 6.3779 6.3779 6.3779
7.2275 7.2275 7.2276 7.2276 7.7057 7.7057 7.7058 7.7058
8.1976 8.1976 8.1977 8.1977 8.4871 8.4871 8.4872 8.4872
11.1913 11.1913 11.1914 11.1914 11.3973 11.3973 11.3974 11.3974
12.3788 12.3788 12.3789 12.3789
k = 0.4107 0.5000-0.0000 ( 6138 PWs) bands (ev):
-3.9518 -3.9518 -3.9516 -3.9516 -3.3336 -3.3336 -3.3334 -3.3334
-0.6473 -0.6473 -0.6472 -0.6472 -0.3116 -0.3116 -0.3116 -0.3116
1.9540 1.9540 1.9541 1.9541 2.2239 2.2239 2.2239 2.2239
4.3693 4.3693 4.3694 4.3694 5.1669 5.1669 5.1669 5.1669
6.0452 6.0452 6.0452 6.0452 6.3009 6.3009 6.3010 6.3010
7.2674 7.2674 7.2675 7.2675 7.6946 7.6946 7.6946 7.6946
8.2496 8.2496 8.2497 8.2497 8.4675 8.4675 8.4675 8.4675
11.1706 11.1706 11.1706 11.1706 11.3448 11.3448 11.3449 11.3449
12.3422 12.3422 12.3423 12.3423
k = 0.4286 0.5000-0.0000 ( 6148 PWs) bands (ev):
-3.8972 -3.8972 -3.8971 -3.8971 -3.4012 -3.4012 -3.4010 -3.4010
-0.6172 -0.6172 -0.6172 -0.6172 -0.3449 -0.3449 -0.3449 -0.3449
1.9676 1.9676 1.9676 1.9676 2.1913 2.1913 2.1914 2.1914
4.5029 4.5029 4.5030 4.5030 5.1702 5.1702 5.1703 5.1703
6.0103 6.0103 6.0104 6.0104 6.2108 6.2108 6.2108 6.2108
7.3233 7.3233 7.3234 7.3234 7.6790 7.6790 7.6790 7.6790
8.2931 8.2931 8.2932 8.2932 8.4509 8.4509 8.4510 8.4510
11.1561 11.1561 11.1562 11.1562 11.2960 11.2960 11.2961 11.2961
12.3222 12.3222 12.3223 12.3223
k = 0.4464 0.5000-0.0000 ( 6144 PWs) bands (ev):
-3.8408 -3.8408 -3.8407 -3.8407 -3.4679 -3.4679 -3.4678 -3.4678
-0.5856 -0.5856 -0.5855 -0.5855 -0.3792 -0.3792 -0.3791 -0.3791
1.9854 1.9854 1.9855 1.9855 2.1577 2.1577 2.1578 2.1578
4.6357 4.6357 4.6358 4.6358 5.1582 5.1582 5.1583 5.1583
5.9813 5.9813 5.9814 5.9814 6.1222 6.1222 6.1223 6.1223
7.3850 7.3850 7.3851 7.3851 7.6579 7.6579 7.6580 7.6580
8.3285 8.3285 8.3286 8.3286 8.4366 8.4366 8.4366 8.4366
11.1480 11.1480 11.1481 11.1481 11.2527 11.2527 11.2528 11.2528
12.3182 12.3182 12.3183 12.3183
k = 0.4643 0.5000-0.0000 ( 6140 PWs) bands (ev):
-3.7826 -3.7826 -3.7824 -3.7824 -3.5336 -3.5336 -3.5334 -3.5334
-0.5526 -0.5526 -0.5526 -0.5526 -0.4140 -0.4140 -0.4139 -0.4139
2.0072 2.0072 2.0073 2.0073 2.1242 2.1242 2.1242 2.1242
4.7638 4.7638 4.7639 4.7639 5.1256 5.1256 5.1256 5.1256
5.9610 5.9610 5.9610 5.9610 6.0469 6.0469 6.0470 6.0470
7.4461 7.4461 7.4461 7.4461 7.6305 7.6305 7.6305 7.6305
8.3563 8.3563 8.3564 8.3564 8.4236 8.4236 8.4236 8.4236
11.1468 11.1468 11.1469 11.1469 11.2162 11.2162 11.2163 11.2163
12.3293 12.3293 12.3293 12.3293
k = 0.4821 0.5000-0.0000 ( 6152 PWs) bands (ev):
-3.7226 -3.7226 -3.7225 -3.7225 -3.5980 -3.5980 -3.5979 -3.5979
-0.5187 -0.5187 -0.5186 -0.5186 -0.4490 -0.4490 -0.4490 -0.4490
2.0325 2.0325 2.0325 2.0325 2.0917 2.0917 2.0917 2.0917
4.8825 4.8825 4.8825 4.8825 5.0682 5.0682 5.0682 5.0682
5.9530 5.9530 5.9530 5.9530 5.9926 5.9926 5.9927 5.9927
7.5025 7.5025 7.5025 7.5025 7.5960 7.5960 7.5960 7.5960
8.3777 8.3777 8.3778 8.3778 8.4109 8.4109 8.4110 8.4110
11.1527 11.1527 11.1528 11.1528 11.1872 11.1872 11.1873 11.1873
12.3543 12.3543 12.3544 12.3544
k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev):
-3.6612 -3.6612 -3.6611 -3.6611 -3.6610 -3.6610 -3.6608 -3.6608
-0.4844 -0.4844 -0.4844 -0.4844 -0.4837 -0.4837 -0.4836 -0.4836
2.0587 2.0587 2.0588 2.0588 2.0630 2.0630 2.0631 2.0631
4.9841 4.9841 4.9842 4.9842 4.9877 4.9877 4.9877 4.9877
5.9620 5.9620 5.9620 5.9620 5.9621 5.9621 5.9621 5.9621
7.5461 7.5461 7.5462 7.5462 7.5599 7.5599 7.5600 7.5600
8.3905 8.3905 8.3905 8.3905 8.4011 8.4011 8.4011 8.4011
11.1656 11.1656 11.1657 11.1657 11.1666 11.1666 11.1666 11.1666
12.3884 12.3884 12.3884 12.3884
k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev):
-3.6612 -3.6612 -3.6611 -3.6611 -3.6610 -3.6610 -3.6608 -3.6608
-0.4844 -0.4844 -0.4844 -0.4844 -0.4837 -0.4837 -0.4836 -0.4836
2.0587 2.0587 2.0588 2.0588 2.0630 2.0630 2.0631 2.0631
4.9841 4.9841 4.9842 4.9842 4.9877 4.9877 4.9877 4.9877
5.9620 5.9620 5.9620 5.9620 5.9621 5.9621 5.9621 5.9621
7.5461 7.5461 7.5462 7.5462 7.5599 7.5599 7.5600 7.5600
8.3905 8.3905 8.3905 8.3905 8.4011 8.4011 8.4011 8.4011
11.1656 11.1656 11.1657 11.1657 11.1666 11.1666 11.1666 11.1666
12.3884 12.3884 12.3884 12.3884
k = 0.4875 0.4875-0.0000 ( 6152 PWs) bands (ev):
-3.7479 -3.7479 -3.6601 -3.6601 -3.6598 -3.6598 -3.5732 -3.5732
-0.5420 -0.5420 -0.4929 -0.4929 -0.4739 -0.4739 -0.4255 -0.4255
2.0114 2.0114 2.0537 2.0537 2.0700 2.0700 2.1107 2.1107
4.8577 4.8577 4.9729 4.9729 4.9754 4.9754 5.1159 5.1159
5.8738 5.8738 5.9114 5.9114 6.0337 6.0337 6.0517 6.0517
7.4506 7.4506 7.5142 7.5142 7.5833 7.5833 7.6526 7.6526
8.3501 8.3501 8.3753 8.3753 8.4157 8.4157 8.4388 8.4388
11.1217 11.1217 11.1433 11.1433 11.1952 11.1952 11.2215 11.2215
12.3214 12.3214 12.3832 12.3832
k = 0.4750 0.4750-0.0000 ( 6140 PWs) bands (ev):
-3.8338 -3.8338 -3.6570 -3.6570 -3.6565 -3.6565 -3.4848 -3.4848
-0.5991 -0.5991 -0.5005 -0.5005 -0.4624 -0.4624 -0.3672 -0.3672
1.9631 1.9631 2.0482 2.0482 2.0813 2.0813 2.1598 2.1598
4.7321 4.7321 4.9382 4.9382 4.9421 4.9421 5.2469 5.2469
5.7878 5.7878 5.8860 5.8860 6.1187 6.1187 6.1420 6.1420
7.3475 7.3475 7.4682 7.4682 7.6048 7.6048 7.7473 7.7473
8.3037 8.3037 8.3537 8.3537 8.4367 8.4367 8.4760 8.4760
11.0890 11.0890 11.1268 11.1268 11.2305 11.2305 11.2864 11.2864
12.2553 12.2553 12.3783 12.3783
k = 0.4625 0.4625-0.0000 ( 6140 PWs) bands (ev):
-3.9184 -3.9184 -3.6518 -3.6518 -3.6510 -3.6510 -3.3961 -3.3961
-0.6546 -0.6546 -0.5070 -0.5070 -0.4496 -0.4496 -0.3097 -0.3097
1.9164 1.9164 2.0445 2.0445 2.0947 2.0947 2.2073 2.2073
4.6100 4.6100 4.8759 4.8759 4.8988 4.8988 5.3782 5.3782
5.7044 5.7044 5.8856 5.8856 6.2082 6.2082 6.2317 6.2317
7.2435 7.2435 7.4201 7.4201 7.6160 7.6160 7.8369 7.8369
8.2561 8.2561 8.3335 8.3335 8.4556 8.4556 8.5093 8.5093
11.0685 11.0685 11.1165 11.1165 11.2724 11.2724 11.3593 11.3593
12.1951 12.1951 12.3784 12.3784
k = 0.4500 0.4500-0.0000 ( 6132 PWs) bands (ev):
-4.0017 -4.0017 -3.6445 -3.6445 -3.6435 -3.6435 -3.3074 -3.3074
-0.7081 -0.7081 -0.5123 -0.5123 -0.4353 -0.4353 -0.2534 -0.2534
1.8719 1.8719 2.0422 2.0422 2.1105 2.1105 2.2522 2.2522
4.4926 4.4926 4.7934 4.7934 4.8475 4.8475 5.5089 5.5089
5.6241 5.6241 5.9054 5.9054 6.2930 6.2930 6.3186 6.3186
7.1406 7.1406 7.3753 7.3753 7.6177 7.6177 7.9178 7.9178
8.2103 8.2103 8.3144 8.3144 8.4723 8.4723 8.5386 8.5386
11.0599 11.0599 11.1124 11.1124 11.3210 11.3210 11.4379 11.4379
12.1422 12.1422 12.3836 12.3836
k = 0.4375 0.4375-0.0000 ( 6134 PWs) bands (ev):
-4.0834 -4.0834 -3.6351 -3.6351 -3.6338 -3.6338 -3.2192 -3.2192
-0.7588 -0.7588 -0.5166 -0.5166 -0.4197 -0.4197 -0.1992 -0.1992
1.8302 1.8302 2.0414 2.0414 2.1288 2.1288 2.2931 2.2931
4.3810 4.3810 4.6972 4.6972 4.7912 4.7912 5.5474 5.5474
5.6378 5.6378 5.9400 5.9400 6.3630 6.3630 6.3995 6.3995
7.0417 7.0417 7.3412 7.3412 7.6113 7.6113 7.9808 7.9808
8.1753 8.1753 8.2958 8.2958 8.4871 8.4871 8.5645 8.5645
11.0625 11.0625 11.1142 11.1142 11.3768 11.3768 11.5189 11.5189
12.0988 12.0988 12.3938 12.3938
k = 0.4250 0.4250-0.0000 ( 6130 PWs) bands (ev):
-4.1635 -4.1635 -3.6236 -3.6236 -3.6221 -3.6221 -3.1318 -3.1318
-0.8063 -0.8063 -0.5199 -0.5199 -0.4027 -0.4027 -0.1476 -0.1476
1.7916 1.7916 2.0418 2.0418 2.1497 2.1497 2.3285 2.3285
4.2766 4.2766 4.5927 4.5927 4.7321 4.7321 5.4746 5.4746
5.7624 5.7624 5.9852 5.9852 6.4075 6.4075 6.4675 6.4675
6.9531 6.9531 7.3260 7.3260 7.5991 7.5991 8.0016 8.0016
8.1746 8.1746 8.2765 8.2765 8.5007 8.5007 8.5885 8.5885
11.0746 11.0746 11.1217 11.1217 11.4405 11.4405 11.5977 11.5977
12.0670 12.0670 12.4086 12.4086
k = 0.4125 0.4125-0.0000 ( 6138 PWs) bands (ev):
-4.2418 -4.2418 -3.6100 -3.6100 -3.6082 -3.6082 -3.0460 -3.0460
-0.8498 -0.8498 -0.5224 -0.5224 -0.3844 -0.3844 -0.0992 -0.0992
1.7566 1.7566 2.0433 2.0433 2.1735 2.1735 2.3567 2.3567
4.1810 4.1810 4.4840 4.4840 4.6716 4.6716 5.4061 5.4061
5.8764 5.8764 6.0417 6.0417 6.4184 6.4184 6.5096 6.5096
6.8878 6.8878 7.3350 7.3350 7.5838 7.5838 7.9745 7.9745
8.2128 8.2128 8.2558 8.2558 8.5149 8.5149 8.6129 8.6129
11.0945 11.0945 11.1343 11.1343 11.5126 11.5126 11.6676 11.6676
12.0497 12.0497 12.4275 12.4275
k = 0.4000 0.4000-0.0000 ( 6142 PWs) bands (ev):
-4.3184 -4.3184 -3.5943 -3.5943 -3.5924 -3.5924 -2.9623 -2.9623
-0.8885 -0.8885 -0.5241 -0.5241 -0.3646 -0.3646 -0.0548 -0.0548
1.7254 1.7254 2.0454 2.0454 2.2002 2.2002 2.3762 2.3762
4.0956 4.0956 4.3742 4.3742 4.6110 4.6110 5.3425 5.3425
5.9654 5.9654 6.1175 6.1175 6.3946 6.3946 6.5090 6.5090
6.8631 6.8631 7.3657 7.3657 7.5684 7.5684 7.9285 7.9285
8.2292 8.2292 8.2644 8.2644 8.5325 8.5325 8.6401 8.6401
11.1199 11.1199 11.1515 11.1515 11.5938 11.5938 11.7211 11.7211
12.0474 12.0474 12.4496 12.4496
k = 0.3875 0.3875-0.0000 ( 6134 PWs) bands (ev):
-4.3930 -4.3930 -3.5766 -3.5766 -3.5744 -3.5744 -2.8816 -2.8816
-0.9217 -0.9217 -0.5252 -0.5252 -0.3436 -0.3436 -0.0150 -0.0150
1.6981 1.6981 2.0481 2.0481 2.2302 2.2302 2.3852 2.3852
4.0220 4.0220 4.2656 4.2656 4.5509 4.5509 5.2841 5.2841
6.0168 6.0168 6.2159 6.2159 6.3415 6.3415 6.4719 6.4719
6.8765 6.8765 7.4065 7.4065 7.5564 7.5564 7.8805 7.8805
8.2028 8.2028 8.3083 8.3083 8.5566 8.5566 8.6723 8.6723
11.1488 11.1488 11.1726 11.1726 11.6842 11.6842 11.7547 11.7547
12.0547 12.0547 12.4739 12.4739
k = 0.3750 0.3750-0.0000 ( 6120 PWs) bands (ev):
-4.4657 -4.4657 -3.5569 -3.5569 -3.5545 -3.5545 -2.8047 -2.8047
-0.9485 -0.9485 -0.5257 -0.5257 -0.3212 -0.3212 0.0198 0.0198
1.6747 1.6747 2.0506 2.0506 2.2637 2.2637 2.3829 2.3829
3.9609 3.9609 4.1597 4.1597 4.4920 4.4920 5.2316 5.2316
6.0313 6.0313 6.2667 6.2667 6.3125 6.3125 6.4406 6.4406
6.9043 6.9043 7.4401 7.4401 7.5512 7.5512 7.8398 7.8398
8.1737 8.1737 8.3461 8.3461 8.5888 8.5888 8.7112 8.7112
11.1794 11.1794 11.1971 11.1971 11.7700 11.7700 11.7844 11.7844
12.0609 12.0609 12.4989 12.4989
k = 0.3625 0.3625-0.0000 ( 6122 PWs) bands (ev):
-4.5363 -4.5363 -3.5352 -3.5352 -3.5327 -3.5327 -2.7326 -2.7326
-0.9678 -0.9678 -0.5259 -0.5259 -0.2976 -0.2976 0.0490 0.0490
1.6551 1.6551 2.0525 2.0525 2.3007 2.3007 2.3689 2.3689
3.9126 3.9126 4.0582 4.0582 4.4348 4.4348 5.1857 5.1857
6.0061 6.0061 6.1778 6.1778 6.3424 6.3424 6.4957 6.4957
6.9284 6.9284 7.4493 7.4493 7.5545 7.5545 7.8131 7.8131
8.1451 8.1451 8.3816 8.3816 8.6278 8.6278 8.7578 8.7578
11.2103 11.2103 11.2241 11.2241 11.7728 11.7728 11.8919 11.8919
12.0618 12.0618 12.5229 12.5229
k = 0.3500 0.3500-0.0000 ( 6122 PWs) bands (ev):
-4.6049 -4.6049 -3.5115 -3.5115 -3.5089 -3.5089 -2.6665 -2.6665
-0.9788 -0.9788 -0.5258 -0.5258 -0.2728 -0.2728 0.0724 0.0724
1.6389 1.6389 2.0524 2.0524 2.3384 2.3384 2.3475 2.3475
3.8766 3.8766 3.9622 3.9622 4.3797 4.3797 5.1470 5.1470
5.9430 5.9430 6.0795 6.0795 6.3401 6.3401 6.6062 6.6062
6.9410 6.9410 7.4263 7.4263 7.5657 7.5657 7.7983 7.7983
8.1214 8.1214 8.4216 8.4216 8.6704 8.6704 8.8122 8.8122
11.2409 11.2409 11.2532 11.2532 11.7629 11.7629 12.0074 12.0074
12.0645 12.0645 12.5442 12.5442
k = 0.3375 0.3375-0.0000 ( 6128 PWs) bands (ev):
-4.6714 -4.6714 -3.4860 -3.4860 -3.4832 -3.4832 -2.6072 -2.6072
-0.9805 -0.9805 -0.5255 -0.5255 -0.2469 -0.2469 0.0897 0.0897
1.6257 1.6257 2.0487 2.0487 2.3108 2.3108 2.3871 2.3871
3.8508 3.8508 3.8729 3.8729 4.3271 4.3271 5.1163 5.1163
5.8546 5.8546 5.9751 5.9751 6.3431 6.3431 6.7222 6.7222
6.9416 6.9416 7.3769 7.3769 7.5807 7.5807 7.7830 7.7830
8.1086 8.1086 8.4711 8.4711 8.7140 8.7140 8.8737 8.8737
11.2706 11.2706 11.2835 11.2835 11.7429 11.7429 12.0788 12.0788
12.1291 12.1291 12.5608 12.5608
k = 0.3250 0.3250-0.0000 ( 6128 PWs) bands (ev):
-4.7357 -4.7357 -3.4586 -3.4586 -3.4556 -3.4556 -2.5558 -2.5558
-0.9722 -0.9722 -0.5253 -0.5253 -0.2200 -0.2200 0.1011 0.1011
1.6148 1.6148 2.0383 2.0383 2.2747 2.2747 2.4360 2.4360
3.7903 3.7903 3.8341 3.8341 4.2771 4.2771 5.0945 5.0945
5.7524 5.7524 5.8673 5.8673 6.3479 6.3479 6.8290 6.8290
6.9375 6.9375 7.3108 7.3108 7.5939 7.5939 7.7558 7.7558
8.1130 8.1130 8.5301 8.5301 8.7568 8.7568 8.9413 8.9413
11.2994 11.2994 11.3142 11.3142 11.7191 11.7191 12.1090 12.1090
12.2552 12.2552 12.5711 12.5711
k = 0.3125 0.3125-0.0000 ( 6126 PWs) bands (ev):
-4.7978 -4.7978 -3.4294 -3.4294 -3.4263 -3.4263 -2.5128 -2.5128
-0.9536 -0.9536 -0.5252 -0.5252 -0.1921 -0.1921 0.1065 0.1065
1.6056 1.6056 2.0169 2.0169 2.2411 2.2411 2.4888 2.4888
3.7168 3.7168 3.8224 3.8224 4.2301 4.2301 5.0821 5.0821
5.6433 5.6433 5.7577 5.7577 6.3497 6.3497 6.8788 6.8788
6.9743 6.9743 7.2350 7.2350 7.6031 7.6031 7.7125 7.7125
8.1390 8.1390 8.5939 8.5939 8.7983 8.7983 9.0134 9.0134
11.3271 11.3271 11.3446 11.3446 11.7005 11.7005 12.1545 12.1545
12.3833 12.3833 12.5748 12.5748
k = 0.3000 0.3000-0.0000 ( 6132 PWs) bands (ev):
-4.8576 -4.8576 -3.3985 -3.3985 -3.3953 -3.3953 -2.4786 -2.4786
-0.9246 -0.9246 -0.5254 -0.5254 -0.1632 -0.1632 0.1062 0.1062
1.5975 1.5975 1.9810 1.9810 2.2157 2.2157 2.5455 2.5455
3.6525 3.6525 3.8138 3.8138 4.1861 4.1861 5.0794 5.0794
5.5307 5.5307 5.6477 5.6477 6.3457 6.3457 6.8637 6.8637
7.0548 7.0548 7.1536 7.1536 7.6136 7.6136 7.6535 7.6535
8.1864 8.1864 8.6564 8.6564 8.8386 8.8386 9.0884 9.0884
11.3535 11.3535 11.3745 11.3745 11.6951 11.6951 12.2128 12.2128
12.5022 12.5022 12.5814 12.5814
k = 0.2875 0.2875-0.0000 ( 6128 PWs) bands (ev):
-4.9152 -4.9152 -3.3659 -3.3659 -3.3626 -3.3626 -2.4530 -2.4530
-0.8859 -0.8859 -0.5259 -0.5259 -0.1335 -0.1335 0.1004 0.1004
1.5899 1.5899 1.9312 1.9312 2.1999 2.1999 2.6056 2.6056
3.5980 3.5980 3.8064 3.8064 4.1452 4.1452 5.0865 5.0865
5.4168 5.4168 5.5386 5.5386 6.3347 6.3347 6.8370 6.8370
7.0670 7.0670 7.1193 7.1193 7.5792 7.5792 7.6405 7.6405
8.2514 8.2514 8.7117 8.7117 8.8779 8.8779 9.1640 9.1640
11.3783 11.3783 11.4053 11.4053 11.7073 11.7073 12.2816 12.2816
12.5359 12.5359 12.6662 12.6662
k = 0.2750 0.2750-0.0000 ( 6130 PWs) bands (ev):
-4.9705 -4.9705 -3.3317 -3.3317 -3.3284 -3.3284 -2.4356 -2.4356
-0.8385 -0.8385 -0.5269 -0.5269 -0.1028 -0.1028 0.0894 0.0894
1.5825 1.5825 1.8718 1.8718 2.1911 2.1911 2.6686 2.6686
3.5542 3.5542 3.7985 3.7985 4.1074 4.1074 5.1022 5.1022
5.3027 5.3027 5.4322 5.4322 6.3160 6.3160 6.8078 6.8078
6.9802 6.9802 7.1479 7.1479 7.4937 7.4937 7.6946 7.6946
8.3293 8.3293 8.7566 8.7566 8.9158 8.9158 9.2382 9.2382
11.4010 11.4010 11.4406 11.4406 11.7374 11.7374 12.3592 12.3592
12.5211 12.5211 12.7936 12.7936
k = 0.2625 0.2625-0.0000 ( 6128 PWs) bands (ev):
-5.0235 -5.0235 -3.2960 -3.2960 -3.2927 -3.2927 -2.4254 -2.4254
-0.7842 -0.7842 -0.5284 -0.5284 -0.0710 -0.0710 0.0737 0.0737
1.5749 1.5749 1.8078 1.8078 2.1861 2.1861 2.7337 2.7337
3.5215 3.5215 3.7894 3.7894 4.0725 4.0725 5.1227 5.1227
5.1892 5.1892 5.3321 5.3321 6.2893 6.2893 6.7784 6.7784
6.8919 6.8919 7.1436 7.1436 7.3975 7.3975 7.7788 7.7788
8.4161 8.4161 8.7904 8.7904 8.9502 8.9502 9.3087 9.3087
11.4205 11.4205 11.4846 11.4846 11.7832 11.7832 12.4442 12.4442
12.5011 12.5011 12.9230 12.9230
k = 0.2500 0.2500-0.0000 ( 6126 PWs) bands (ev):
-5.0741 -5.0741 -3.2589 -3.2589 -3.2556 -3.2556 -2.4216 -2.4216
-0.7249 -0.7249 -0.5304 -0.5304 -0.0377 -0.0377 0.0533 0.0533
1.5673 1.5673 1.7430 1.7430 2.1824 2.1824 2.7999 2.7999
3.5005 3.5005 3.7789 3.7789 4.0406 4.0406 5.0770 5.0770
5.1303 5.1303 5.2559 5.2559 6.2548 6.2548 6.7500 6.7500
6.8035 6.8035 7.1162 7.1162 7.2924 7.2924 7.8847 7.8847
8.5088 8.5088 8.8149 8.8149 8.9784 8.9784 9.3736 9.3736
11.4355 11.4355 11.5401 11.5401 11.8417 11.8417 12.4837 12.4837
12.5356 12.5356 13.0497 13.0497
k = 0.2375 0.2375-0.0000 ( 6138 PWs) bands (ev):
-5.1224 -5.1224 -3.2206 -3.2206 -3.2173 -3.2173 -2.4230 -2.4230
-0.6633 -0.6633 -0.5331 -0.5331 -0.0025 -0.0025 0.0287 0.0287
1.5598 1.5598 1.6801 1.6801 2.1786 2.1786 2.8660 2.8660
3.4916 3.4916 3.7672 3.7672 4.0116 4.0116 4.9669 4.9669
5.0774 5.0774 5.2500 5.2500 6.2133 6.2133 6.7148 6.7148
6.7243 6.7243 7.0759 7.0759 7.1796 7.1796 8.0040 8.0040
8.6048 8.6048 8.8322 8.8322 8.9987 8.9987 9.4310 9.4310
11.4447 11.4447 11.6070 11.6070 11.9110 11.9110 12.4753 12.4753
12.6318 12.6318 13.1064 13.1064
k = 0.2250 0.2250-0.0000 ( 6146 PWs) bands (ev):
-5.1683 -5.1683 -3.1811 -3.1811 -3.1779 -3.1779 -2.4287 -2.4287
-0.6022 -0.6022 -0.5364 -0.5364 0.0001 0.0001 0.0359 0.0359
1.5528 1.5528 1.6215 1.6215 2.1734 2.1734 2.9305 2.9305
3.4951 3.4951 3.7546 3.7546 3.9854 3.9854 4.8593 4.8593
4.9897 4.9897 5.2875 5.2875 6.1653 6.1653 6.6296 6.6296
6.6984 6.6984 7.0291 7.0291 7.0606 7.0606 8.1313 8.1313
8.7022 8.7022 8.8439 8.8439 9.0106 9.0106 9.4797 9.4797
11.4470 11.4470 11.6825 11.6825 11.9907 11.9907 12.4808 12.4808
12.7320 12.7320 13.0946 13.0946
k = 0.2125 0.2125-0.0000 ( 6144 PWs) bands (ev):
-5.2118 -5.2118 -3.1407 -3.1407 -3.1375 -3.1375 -2.4375 -2.4375
-0.5448 -0.5448 -0.5403 -0.5403 -0.0322 -0.0322 0.0785 0.0785
1.5466 1.5466 1.5690 1.5690 2.1661 2.1661 2.9919 2.9919
3.5112 3.5112 3.7415 3.7415 3.9624 3.9624 4.7549 4.7549
4.8977 4.8977 5.3366 5.3366 6.1119 6.1119 6.5464 6.5464
6.6748 6.6748 6.9365 6.9365 6.9797 6.9797 8.2634 8.2634
8.7985 8.7985 8.8518 8.8518 9.0148 9.0148 9.5189 9.5189
11.4426 11.4426 11.7606 11.7606 12.0821 12.0821 12.5037 12.5037
12.8343 12.8343 13.0827 13.0827
k = 0.2000 0.2000-0.0000 ( 6144 PWs) bands (ev):
-5.2529 -5.2529 -3.0994 -3.0994 -3.0964 -3.0964 -2.4488 -2.4488
-0.5448 -0.5448 -0.4944 -0.4944 -0.0679 -0.0679 0.1269 0.1269
1.5232 1.5232 1.5425 1.5425 2.1561 2.1561 3.0493 3.0493
3.5392 3.5392 3.7281 3.7281 3.9429 3.9429 4.6544 4.6544
4.8074 4.8074 5.3893 5.3893 6.0541 6.0541 6.4675 6.4675
6.6527 6.6527 6.8086 6.8086 6.9299 6.9299 8.3986 8.3986
8.8548 8.8548 8.8933 8.8933 9.0124 9.0124 9.5491 9.5491
11.4328 11.4328 11.8331 11.8331 12.1875 12.1875 12.5453 12.5453
12.9327 12.9327 13.0771 13.0771
k = 0.1875 0.1875-0.0000 ( 6130 PWs) bands (ev):
-5.2916 -5.2916 -3.0576 -3.0576 -3.0547 -3.0547 -2.4616 -2.4616
-0.5497 -0.5497 -0.4540 -0.4540 -0.1066 -0.1066 0.1824 0.1824
1.4866 1.4866 1.5394 1.5394 2.1429 2.1429 3.1020 3.1020
3.5778 3.5778 3.7145 3.7145 3.9274 3.9274 4.5587 4.5587
4.7205 4.7205 5.4415 5.4415 5.9928 5.9928 6.3944 6.3944
6.6318 6.6318 6.6784 6.6784 6.8809 6.8809 8.5354 8.5354
8.8573 8.8573 8.9785 8.9785 9.0061 9.0061 9.5720 9.5720
11.4203 11.4203 11.8920 11.8920 12.3090 12.3090 12.6052 12.6052
12.9970 12.9970 13.1077 13.1077
k = 0.1750 0.1750-0.0000 ( 6120 PWs) bands (ev):
-5.3278 -5.3278 -3.0154 -3.0154 -3.0126 -3.0126 -2.4756 -2.4756
-0.5549 -0.5549 -0.4252 -0.4252 -0.1478 -0.1478 0.2456 0.2456
1.4592 1.4592 1.5386 1.5386 2.1261 2.1261 3.1502 3.1502
3.6242 3.6242 3.7007 3.7007 3.9162 3.9162 4.4693 4.4693
4.6377 4.6377 5.4896 5.4896 5.9289 5.9289 6.3294 6.3294
6.5462 6.5462 6.6129 6.6129 6.8337 6.8337 8.6729 8.6729
8.8576 8.8576 8.9920 8.9920 9.0575 9.0575 9.5915 9.5915
11.4080 11.4080 11.9315 11.9315 12.4463 12.4463 12.6810 12.6810
13.0023 13.0023 13.1984 13.1984
k = 0.1625 0.1625-0.0000 ( 6124 PWs) bands (ev):
-5.3616 -5.3616 -2.9731 -2.9731 -2.9705 -2.9705 -2.4901 -2.4901
-0.5605 -0.5605 -0.4088 -0.4088 -0.1910 -0.1910 0.3162 0.3162
1.4415 1.4415 1.5402 1.5402 2.1056 2.1056 3.1947 3.1947
3.6730 3.6730 3.6879 3.6879 3.9099 3.9099 4.3883 4.3883
4.5596 4.5596 5.5294 5.5294 5.8636 5.8636 6.2752 6.2752
6.4157 6.4157 6.5944 6.5944 6.7888 6.7888 8.8099 8.8099
8.8567 8.8567 8.9783 8.9783 9.1173 9.1173 9.6131 9.6131
11.3991 11.3991 11.9490 11.9490 12.5972 12.5972 12.7695 12.7695
12.9895 12.9895 13.3065 13.3065
k = 0.1500 0.1500-0.0000 ( 6124 PWs) bands (ev):
-5.3929 -5.3929 -2.9310 -2.9310 -2.9286 -2.9286 -2.5047 -2.5047
-0.5663 -0.5663 -0.4041 -0.4041 -0.2357 -0.2357 0.3930 0.3930
1.4334 1.4334 1.5441 1.5441 2.0811 2.0811 3.2363 3.2363
3.6707 3.6707 3.7241 3.7241 3.9086 3.9086 4.3191 4.3191
4.4865 4.4865 5.5564 5.5564 5.7976 5.7976 6.2292 6.2292
6.2932 6.2932 6.5772 6.5772 6.7463 6.7463 8.8545 8.8545
8.9434 8.9434 8.9644 8.9644 9.1565 9.1565 9.6431 9.6431
11.3961 11.3961 11.9447 11.9447 12.7589 12.7589 12.8667 12.8667
12.9726 12.9726 13.4097 13.4097
k = 0.1375 0.1375-0.0000 ( 6142 PWs) bands (ev):
-5.4217 -5.4217 -2.8894 -2.8894 -2.8873 -2.8873 -2.5190 -2.5190
-0.5721 -0.5721 -0.4095 -0.4095 -0.2813 -0.2813 0.4744 0.4744
1.4345 1.4345 1.5503 1.5503 2.0527 2.0527 3.2758 3.2758
3.6558 3.6558 3.7634 3.7634 3.9121 3.9121 4.2673 4.2673
4.4187 4.4187 5.5668 5.5668 5.7320 5.7320 6.1408 6.1408
6.2340 6.2340 6.5610 6.5610 6.7064 6.7064 8.8521 8.8521
8.9458 8.9458 9.0705 9.0705 9.1792 9.1792 9.6848 9.6848
11.4008 11.4008 11.9210 11.9210 12.9253 12.9253 12.9520 12.9520
12.9736 12.9736 13.4852 13.4852
k = 0.1250 0.1250-0.0000 ( 6136 PWs) bands (ev):
-5.4480 -5.4480 -2.8488 -2.8488 -2.8469 -2.8469 -2.5328 -2.5328
-0.5778 -0.5778 -0.4230 -0.4230 -0.3268 -0.3268 0.5584 0.5584
1.4439 1.4439 1.5586 1.5586 2.0204 2.0204 3.3137 3.3137
3.6407 3.6407 3.7848 3.7848 3.9202 3.9202 4.2400 4.2400
4.3565 4.3565 5.5596 5.5596 5.6674 5.6674 6.0199 6.0199
6.2299 6.2299 6.5460 6.5460 6.6692 6.6692 8.8495 8.8495
8.9295 8.9295 9.1281 9.1281 9.2445 9.2445 9.7366 9.7366
11.4146 11.4146 11.8822 11.8822 12.9324 12.9324 13.0664 13.0664
13.1067 13.1067 13.5589 13.5589
k = 0.1125 0.1125-0.0000 ( 6144 PWs) bands (ev):
-5.4719 -5.4719 -2.8096 -2.8096 -2.8079 -2.8079 -2.5459 -2.5459
-0.5834 -0.5834 -0.4427 -0.4427 -0.3717 -0.3717 0.6436 0.6436
1.4604 1.4604 1.5687 1.5687 1.9844 1.9844 3.3502 3.3502
3.6257 3.6257 3.7825 3.7825 3.9322 3.9322 4.2414 4.2414
4.3000 4.3000 5.5372 5.5372 5.6050 5.6050 5.9003 5.9003
6.2456 6.2456 6.5322 6.5322 6.6349 6.6349 8.8470 8.8470
8.9137 8.9137 9.1114 9.1114 9.3645 9.3645 9.7936 9.7936
11.4378 11.4378 11.8329 11.8329 12.9151 12.9151 13.1474 13.1474
13.2865 13.2865 13.6309 13.6309
k = 0.1000 0.1000-0.0000 ( 6134 PWs) bands (ev):
-5.4933 -5.4933 -2.7723 -2.7723 -2.7708 -2.7708 -2.5580 -2.5580
-0.5887 -0.5887 -0.4665 -0.4665 -0.4151 -0.4151 0.7283 0.7283
1.4826 1.4826 1.5801 1.5801 1.9450 1.9450 3.3851 3.3851
3.6113 3.6113 3.7595 3.7595 3.9473 3.9473 4.2488 4.2488
4.2677 4.2677 5.5043 5.5043 5.5455 5.5455 5.7863 5.7863
6.2732 6.2732 6.5196 6.5196 6.6034 6.6034 8.8446 8.8446
8.8987 8.8987 9.0762 9.0762 9.4884 9.4884 9.8510 9.8510
11.4708 11.4708 11.7776 11.7776 12.8989 12.8989 13.1951 13.1951
13.4685 13.4685 13.4978 13.4978
k = 0.0875 0.0875-0.0000 ( 6136 PWs) bands (ev):
-5.5121 -5.5121 -2.7374 -2.7374 -2.7361 -2.7361 -2.5690 -2.5690
-0.5937 -0.5937 -0.4924 -0.4924 -0.4561 -0.4561 0.8112 0.8112
1.5087 1.5087 1.5922 1.5922 1.9027 1.9027 3.4182 3.4182
3.5976 3.5976 3.7246 3.7246 3.9647 3.9647 4.2044 4.2044
4.3079 4.3079 5.4656 5.4656 5.4899 5.4899 5.6797 5.6797
6.3072 6.3072 6.5082 6.5082 6.5749 6.5749 8.8425 8.8425
8.8850 8.8850 9.0342 9.0342 9.6081 9.6081 9.9053 9.9053
11.5128 11.5128 11.7203 11.7203 12.8842 12.8842 13.1969 13.1969
13.3673 13.3673 13.6513 13.6513
k = 0.0750 0.0750-0.0000 ( 6124 PWs) bands (ev):
-5.5285 -5.5285 -2.7054 -2.7054 -2.7043 -2.7043 -2.5788 -2.5788
-0.5982 -0.5982 -0.5187 -0.5187 -0.4939 -0.4939 0.8912 0.8912
1.5370 1.5370 1.6045 1.6045 1.8582 1.8582 3.4488 3.4488
3.5851 3.5851 3.6855 3.6855 3.9835 3.9835 4.1657 4.1657
4.3541 4.3541 5.4253 5.4253 5.4391 5.4391 5.5824 5.5824
6.3430 6.3430 6.4982 6.4982 6.5497 6.5497 8.8407 8.8407
8.8727 8.8727 8.9906 8.9906 9.7206 9.7206 9.9541 9.9541
11.5626 11.5626 11.6646 11.6646 12.8713 12.8713 13.1579 13.1579
13.2447 13.2447 13.8311 13.8311
k = 0.0625 0.0625-0.0000 ( 6118 PWs) bands (ev):
-5.5424 -5.5424 -2.6770 -2.6770 -2.6761 -2.6761 -2.5872 -2.5872
-0.6021 -0.6021 -0.5439 -0.5439 -0.5278 -0.5278 0.9671 0.9671
1.5655 1.5655 1.6164 1.6164 1.8123 1.8123 3.4764 3.4764
3.5740 3.5740 3.6474 3.6474 4.0023 4.0023 4.1329 4.1329
4.4002 4.4002 5.3863 5.3863 5.3941 5.3941 5.4960 5.4960
6.3774 6.3774 6.4894 6.4894 6.5278 6.5278 8.8393 8.8393
8.8621 8.8621 8.9487 8.9487 9.8232 9.8232 9.9960 9.9960
11.6126 11.6126 11.6185 11.6185 12.8602 12.8602 13.0935 13.0935
13.1336 13.1336 14.0041 14.0041
k = 0.0500 0.0500-0.0000 ( 6110 PWs) bands (ev):
-5.5537 -5.5537 -2.6528 -2.6528 -2.6520 -2.6520 -2.5942 -2.5942
-0.6054 -0.6054 -0.5665 -0.5665 -0.5567 -0.5567 1.0372 1.0372
1.5922 1.5922 1.6273 1.6273 1.7666 1.7666 3.5003 3.5003
3.5645 3.5645 3.6133 3.6133 4.0203 4.0203 4.1062 4.1062
4.4421 4.4421 5.3509 5.3509 5.3561 5.3561 5.4222 5.4222
6.4078 6.4078 6.4822 6.4822 6.5099 6.5099 8.8383 8.8383
8.8533 8.8533 8.9111 8.9111 9.9134 9.9134 10.0305 10.0305
11.5678 11.5678 11.6761 11.6761 12.8508 12.8508 13.0170 13.0170
13.0390 13.0390 14.1640 14.1640
k = 0.0375 0.0375-0.0000 ( 6108 PWs) bands (ev):
-5.5625 -5.5625 -2.6332 -2.6332 -2.6325 -2.6325 -2.5997 -2.5997
-0.6080 -0.6080 -0.5854 -0.5854 -0.5801 -0.5801 1.0995 1.0995
1.6151 1.6151 1.6366 1.6366 1.7232 1.7232 3.5197 3.5197
3.5568 3.5568 3.5853 3.5853 4.0359 4.0359 4.0854 4.0854
4.4772 4.4772 5.3211 5.3211 5.3257 5.3257 5.3627 5.3627
6.4319 6.4319 6.4770 6.4770 6.4962 6.4962 8.8374 8.8374
8.8465 8.8465 8.8800 8.8800 9.9880 9.9880 10.0571 10.0571
11.5309 11.5309 11.7321 11.7321 12.8427 12.8427 12.9420 12.9420
12.9619 12.9619 14.3078 14.3080
k = 0.0250 0.0250-0.0000 ( 6107 PWs) bands (ev):
-5.5688 -5.5688 -2.6189 -2.6189 -2.6182 -2.6182 -2.6037 -2.6037
-0.6099 -0.6099 -0.5997 -0.5997 -0.5973 -0.5973 1.1504 1.1504
1.6322 1.6322 1.6441 1.6441 1.6858 1.6858 3.5336 3.5336
3.5513 3.5513 3.5649 3.5649 4.0482 4.0482 4.0706 4.0706
4.5037 4.5037 5.2985 5.2985 5.3034 5.3034 5.3191 5.3191
6.4469 6.4469 6.4754 6.4754 6.4870 6.4870 8.8366 8.8366
8.8417 8.8417 8.8567 8.8567 10.0441 10.0441 10.0760 10.0760
11.5035 11.5035 11.7801 11.7801 12.8347 12.8347 12.8840 12.8840
12.9010 12.9010 14.4418 14.4437
k = 0.0125 0.0125-0.0000 ( 6099 PWs) bands (ev):
-5.5726 -5.5726 -2.6102 -2.6102 -2.6095 -2.6095 -2.6060 -2.6060
-0.6111 -0.6111 -0.6085 -0.6085 -0.6078 -0.6078 1.1850 1.1850
1.6412 1.6412 1.6498 1.6498 1.6601 1.6601 3.5401 3.5401
3.5492 3.5492 3.5532 3.5532 4.0560 4.0560 4.0617 4.0617
4.5200 4.5200 5.2838 5.2838 5.2897 5.2897 5.2931 5.2931
6.4518 6.4518 6.4783 6.4783 6.4819 6.4819 8.8352 8.8352
8.8393 8.8393 8.8428 8.8428 10.0791 10.0791 10.0872 10.0872
11.4867 11.4867 11.8132 11.8132 12.8225 12.8225 12.8537 12.8537
12.8611 12.8611 14.5683 14.5685
k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev):
-5.5739 -5.5739 -2.6073 -2.6073 -2.6071 -2.6071 -2.6062 -2.6062
-0.6119 -0.6119 -0.6113 -0.6113 -0.6112 -0.6112 1.1975 1.1975
1.6419 1.6419 1.6523 1.6523 1.6524 1.6524 3.5402 3.5402
3.5499 3.5499 3.5499 3.5499 4.0587 4.0587 4.0587 4.0587
4.5256 4.5256 5.2781 5.2781 5.2850 5.2850 5.2851 5.2851
6.4523 6.4523 6.4803 6.4803 6.4804 6.4804 8.8339 8.8339
8.8387 8.8387 8.8388 8.8388 10.0910 10.0910 10.0910 10.0910
11.4810 11.4810 11.8251 11.8251 12.8141 12.8141 12.8473 12.8473
12.8473 12.8473 14.6469 14.6472
k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev):
-5.5739 -5.5739 -2.6073 -2.6073 -2.6071 -2.6071 -2.6062 -2.6062
-0.6119 -0.6119 -0.6113 -0.6113 -0.6112 -0.6112 1.1975 1.1975
1.6419 1.6419 1.6523 1.6523 1.6524 1.6524 3.5402 3.5402
3.5499 3.5499 3.5499 3.5499 4.0587 4.0587 4.0587 4.0587
4.5256 4.5256 5.2781 5.2781 5.2850 5.2850 5.2851 5.2851
6.4523 6.4523 6.4803 6.4803 6.4804 6.4804 8.8339 8.8339
8.8387 8.8387 8.8388 8.8388 10.0910 10.0910 10.0910 10.0910
11.4810 11.4810 11.8251 11.8251 12.8141 12.8141 12.8473 12.8473
12.8473 12.8473 14.6471 14.6472
k = 0.0104 0.0104 0.0104 ( 6097 PWs) bands (ev):
-5.5726 -5.5726 -2.6090 -2.6090 -2.6089 -2.6089 -2.6079 -2.6079
-0.6099 -0.6099 -0.6094 -0.6094 -0.6078 -0.6078 1.1845 1.1845
1.6411 1.6411 1.6493 1.6493 1.6608 1.6608 3.5408 3.5408
3.5499 3.5499 3.5518 3.5518 4.0588 4.0588 4.0589 4.0589
4.5198 4.5198 5.2845 5.2845 5.2911 5.2911 5.2917 5.2917
6.4520 6.4520 6.4798 6.4798 6.4802 6.4802 8.8359 8.8359
8.8407 8.8407 8.8410 8.8410 10.0828 10.0828 10.0829 10.0829
11.4869 11.4869 11.8127 11.8127 12.8241 12.8241 12.8567 12.8567
12.8578 12.8578 14.5664 14.5665
k = 0.0208 0.0208 0.0208 ( 6109 PWs) bands (ev):
-5.5686 -5.5686 -2.6144 -2.6144 -2.6141 -2.6141 -2.6132 -2.6132
-0.6044 -0.6044 -0.6039 -0.6039 -0.5975 -0.5975 1.1487 1.1487
1.6333 1.6333 1.6405 1.6405 1.6887 1.6887 3.5396 3.5396
3.5529 3.5529 3.5577 3.5577 4.0591 4.0591 4.0595 4.0595
4.5027 4.5027 5.3030 5.3030 5.3095 5.3095 5.3117 5.3117
6.4512 6.4512 6.4782 6.4782 6.4798 6.4798 8.8421 8.8421
8.8465 8.8465 8.8475 8.8475 10.0587 10.0587 10.0589 10.0589
11.5044 11.5044 11.7772 11.7772 12.8529 12.8529 12.8844 12.8844
12.8881 12.8881 14.4364 14.4364
k = 0.0312 0.0312 0.0312 ( 6106 PWs) bands (ev):
-5.5621 -5.5621 -2.6235 -2.6235 -2.6225 -2.6225 -2.6217 -2.6217
-0.5955 -0.5955 -0.5951 -0.5951 -0.5803 -0.5803 1.0963 1.0963
1.6195 1.6195 1.6263 1.6263 1.7294 1.7294 3.5339 3.5339
3.5614 3.5614 3.5673 3.5673 4.0600 4.0600 4.0607 4.0607
4.4750 4.4750 5.3314 5.3314 5.3413 5.3413 5.3443 5.3443
6.4498 6.4498 6.4757 6.4757 6.4795 6.4795 8.8518 8.8518
8.8561 8.8561 8.8582 8.8582 10.0196 10.0196 10.0200 10.0200
11.5327 11.5327 11.7237 11.7237 12.8981 12.8981 12.9293 12.9293
12.9337 12.9337 14.3031 14.3031
k = 0.0417 0.0417 0.0417 ( 6118 PWs) bands (ev):
-5.5529 -5.5529 -2.6359 -2.6359 -2.6339 -2.6339 -2.6332 -2.6332
-0.5838 -0.5838 -0.5833 -0.5833 -0.5568 -0.5568 1.0327 1.0327
1.6010 1.6010 1.6076 1.6076 1.7771 1.7771 3.5247 3.5247
3.5741 3.5741 3.5805 3.5805 4.0616 4.0616 4.0629 4.0629
4.4380 4.4380 5.3688 5.3688 5.3858 5.3858 5.3887 5.3887
6.4480 6.4480 6.4726 6.4726 6.4796 6.4796 8.8640 8.8640
8.8698 8.8698 8.8729 8.8729 9.9671 9.9671 9.9677 9.9677
11.5700 11.5700 11.6583 11.6583 12.9564 12.9564 12.9894 12.9894
12.9899 12.9899 14.1680 14.1680
k = 0.0521 0.0521 0.0521 ( 6124 PWs) bands (ev):
-5.5411 -5.5411 -2.6514 -2.6514 -2.6482 -2.6482 -2.6475 -2.6475
-0.5698 -0.5698 -0.5693 -0.5693 -0.5272 -0.5272 0.9615 0.9615
1.5791 1.5791 1.5854 1.5854 1.8284 1.8284 3.5121 3.5121
3.5904 3.5904 3.5970 3.5970 4.0643 4.0643 4.0663 4.0663
4.3932 4.3932 5.4145 5.4145 5.4413 5.4413 5.4437 5.4437
6.4459 6.4459 6.4694 6.4694 6.4806 6.4806 8.8779 8.8779
8.8874 8.8874 8.8913 8.8913 9.9029 9.9029 9.9038 9.9038
11.5768 11.5768 11.6238 11.6238 13.0196 13.0196 13.0536 13.0536
13.0641 13.0641 14.0283 14.0283
k = 0.0625 0.0625 0.0625 ( 6133 PWs) bands (ev):
-5.5266 -5.5266 -2.6695 -2.6695 -2.6649 -2.6649 -2.6643 -2.6643
-0.5543 -0.5543 -0.5538 -0.5538 -0.4920 -0.4920 0.8849 0.8849
1.5550 1.5550 1.5610 1.5610 1.8815 1.8815 3.4956 3.4956
3.6099 3.6099 3.6168 3.6168 4.0686 4.0686 4.0713 4.0713
4.3427 4.3427 5.4674 5.4674 5.5061 5.5061 5.5079 5.5079
6.4443 6.4443 6.4667 6.4667 6.4831 6.4831 8.8925 8.8925
8.9084 8.9084 8.9128 8.9128 9.8289 9.8289 9.8299 9.8299
11.5018 11.5018 11.6732 11.6732 13.0711 13.0711 13.1325 13.1325
13.1495 13.1495 13.8828 13.8828
k = 0.0729 0.0729 0.0729 ( 6151 PWs) bands (ev):
-5.5096 -5.5096 -2.6900 -2.6900 -2.6839 -2.6839 -2.6833 -2.6833
-0.5382 -0.5382 -0.5378 -0.5378 -0.4519 -0.4519 0.8042 0.8042
1.5300 1.5300 1.5357 1.5357 1.9354 1.9354 3.4743 3.4743
3.6324 3.6324 3.6394 3.6394 4.0748 4.0748 4.0782 4.0782
4.2892 4.2892 5.5258 5.5258 5.5785 5.5785 5.5796 5.5796
6.4437 6.4437 6.4654 6.4654 6.4878 6.4878 8.9069 8.9069
8.9321 8.9321 8.9371 8.9371 9.7469 9.7469 9.7481 9.7481
11.4229 11.4229 11.7285 11.7285 13.1011 13.1011 13.2235 13.2235
13.2432 13.2432 13.7368 13.7368
k = 0.0833 0.0833 0.0833 ( 6151 PWs) bands (ev):
-5.4899 -5.4899 -2.7124 -2.7124 -2.7047 -2.7047 -2.7041 -2.7041
-0.5226 -0.5226 -0.5222 -0.5222 -0.4073 -0.4073 0.7204 0.7204
1.5057 1.5057 1.5112 1.5112 1.9895 1.9895 3.4469 3.4469
3.6576 3.6576 3.6648 3.6648 4.0832 4.0832 4.0873 4.0873
4.2356 4.2356 5.5878 5.5878 5.6562 5.6562 5.6566 5.6566
6.4457 6.4457 6.4668 6.4668 6.4957 6.4957 8.9199 8.9199
8.9576 8.9576 8.9633 8.9633 9.6586 9.6586 9.6598 9.6598
11.3451 11.3451 11.7833 11.7833 13.1019 13.1019 13.3196 13.3196
13.3409 13.3409 13.6004 13.6004
k = 0.0938 0.0937 0.0937 ( 6151 PWs) bands (ev):
-5.4677 -5.4677 -2.7363 -2.7363 -2.7271 -2.7271 -2.7265 -2.7265
-0.5087 -0.5087 -0.5083 -0.5083 -0.3590 -0.3590 0.6342 0.6342
1.4838 1.4838 1.4889 1.4889 2.0435 2.0435 3.4119 3.4119
3.6855 3.6855 3.6928 3.6928 4.0940 4.0940 4.0989 4.0989
4.1851 4.1851 5.6511 5.6511 5.7364 5.7364 5.7367 5.7367
6.4521 6.4521 6.4726 6.4726 6.5083 6.5083 8.9300 8.9300
8.9842 8.9842 8.9907 8.9907 9.5659 9.5659 9.5669 9.5669
11.2708 11.2708 11.8324 11.8324 13.0642 13.0642 13.4093 13.4093
13.4327 13.4327 13.4879 13.4879
k = 0.1042 0.1042 0.1042 ( 6133 PWs) bands (ev):
-5.4428 -5.4428 -2.7613 -2.7613 -2.7507 -2.7507 -2.7501 -2.7501
-0.4975 -0.4975 -0.4971 -0.4971 -0.3076 -0.3076 0.5462 0.5462
1.4658 1.4658 1.4706 1.4706 2.0974 2.0974 3.3680 3.3680
3.7157 3.7157 3.7231 3.7231 4.1072 4.1072 4.1130 4.1130
4.1408 4.1408 5.7131 5.7131 5.8156 5.8156 5.8165 5.8165
6.4655 6.4655 6.4855 6.4855 6.5271 6.5271 8.9360 8.9360
9.0103 9.0103 9.0180 9.0180 9.4706 9.4706 9.4711 9.4711
11.2015 11.2015 11.8701 11.8701 12.9835 12.9835 13.4121 13.4121
13.4598 13.4598 13.4832 13.4832
k = 0.1146 0.1146 0.1146 ( 6136 PWs) bands (ev):
-5.4154 -5.4154 -2.7871 -2.7871 -2.7751 -2.7751 -2.7745 -2.7745
-0.4903 -0.4903 -0.4899 -0.4899 -0.2541 -0.2541 0.4570 0.4570
1.4533 1.4533 1.4578 1.4578 2.1511 2.1511 3.3141 3.3141
3.7482 3.7482 3.7557 3.7557 4.1042 4.1042 4.1240 4.1240
4.1297 4.1297 5.7710 5.7710 5.8901 5.8901 5.8913 5.8913
6.4896 6.4896 6.5089 6.5089 6.5540 6.5540 8.9362 8.9362
9.0335 9.0335 9.0431 9.0431 9.3748 9.3748 9.3754 9.3754
11.1386 11.1386 11.8910 11.8910 12.8686 12.8686 13.3797 13.3797
13.4151 13.4151 13.4356 13.4356
k = 0.1250 0.1250 0.1250 ( 6136 PWs) bands (ev):
-5.3853 -5.3853 -2.8134 -2.8134 -2.8001 -2.8001 -2.7995 -2.7995
-0.4881 -0.4881 -0.4878 -0.4878 -0.1993 -0.1993 0.3671 0.3671
1.4476 1.4476 1.4519 1.4519 2.2045 2.2045 3.2504 3.2504
3.7828 3.7828 3.7904 3.7904 4.0787 4.0787 4.1426 4.1426
4.1493 4.1493 5.8223 5.8223 5.9554 5.9554 5.9562 5.9562
6.5285 6.5285 6.5467 6.5467 6.5907 6.5907 8.9293 8.9293
9.0480 9.0480 9.0604 9.0604 9.2835 9.2835 9.2863 9.2863
11.0830 11.0830 11.8912 11.8912 12.7353 12.7353 13.3114 13.3114
13.3298 13.3298 13.3854 13.3854
k = 0.1354 0.1354 0.1354 ( 6133 PWs) bands (ev):
-5.3527 -5.3527 -2.8399 -2.8399 -2.8254 -2.8254 -2.8249 -2.8249
-0.4918 -0.4918 -0.4915 -0.4915 -0.1446 -0.1446 0.2773 0.2773
1.4500 1.4500 1.4540 1.4540 2.2576 2.2576 3.1781 3.1781
3.8195 3.8195 3.8271 3.8271 4.0636 4.0636 4.1644 4.1644
4.1717 4.1717 5.8649 5.8649 6.0075 6.0075 6.0075 6.0075
6.5854 6.5854 6.6020 6.6020 6.6384 6.6384 8.9142 8.9142
9.0372 9.0372 9.0526 9.0526 9.2145 9.2145 9.2197 9.2197
11.0350 11.0350 11.8697 11.8697 12.5956 12.5956 13.1902 13.1902
13.2060 13.2060 13.3673 13.3673
k = 0.1458 0.1458 0.1458 ( 6139 PWs) bands (ev):
-5.3175 -5.3175 -2.8663 -2.8663 -2.8507 -2.8507 -2.8502 -2.8502
-0.5021 -0.5021 -0.5017 -0.5017 -0.0923 -0.0923 0.1895 0.1895
1.4613 1.4613 1.4651 1.4651 2.3102 2.3102 3.0993 3.0993
3.8582 3.8582 3.8658 3.8658 4.0585 4.0585 4.1890 4.1890
4.1970 4.1970 5.8980 5.8980 6.0438 6.0438 6.0451 6.0451
6.6607 6.6607 6.6757 6.6757 6.6971 6.6971 8.8900 8.8900
8.9806 8.9806 8.9943 8.9943 9.1930 9.1930 9.1961 9.1961
10.9944 10.9944 11.8288 11.8288 12.4565 12.4565 13.0610 13.0610
13.0747 13.0747 13.2684 13.2684
k = 0.1562 0.1562 0.1562 ( 6136 PWs) bands (ev):
-5.2798 -5.2798 -2.8924 -2.8924 -2.8759 -2.8759 -2.8754 -2.8754
-0.5193 -0.5193 -0.5189 -0.5189 -0.0499 -0.0499 0.1102 0.1102
1.4822 1.4822 1.4858 1.4858 2.3620 2.3620 3.0169 3.0169
3.8987 3.8987 3.9063 3.9063 4.0625 4.0625 4.2167 4.2167
4.2252 4.2252 5.9216 5.9216 6.0670 6.0670 6.0697 6.0697
6.7514 6.7514 6.7655 6.7655 6.7662 6.7662 8.8558 8.8558
8.8932 8.8932 8.9037 8.9037 9.2002 9.2002 9.2003 9.2003
10.9602 10.9602 11.7726 11.7726 12.3228 12.3228 12.9278 12.9278
12.9397 12.9397 13.1763 13.1763
k = 0.1667 0.1667 0.1667 ( 6148 PWs) bands (ev):
-5.2395 -5.2395 -2.9180 -2.9180 -2.9007 -2.9007 -2.9003 -2.9003
-0.5434 -0.5434 -0.5430 -0.5430 -0.0524 -0.0524 0.0735 0.0735
1.5129 1.5129 1.5163 1.5163 2.4119 2.4119 2.9348 2.9348
3.9410 3.9410 3.9486 3.9486 4.0747 4.0747 4.2473 4.2473
4.2564 4.2564 5.9370 5.9370 6.0802 6.0802 6.0842 6.0842
6.8386 6.8386 6.8584 6.8584 6.8679 6.8679 8.7907 8.7907
8.8030 8.8030 8.8160 8.8160 9.2115 9.2115 9.2137 9.2137
10.9304 10.9304 11.7056 11.7056 12.1983 12.1983 12.7927 12.7927
12.8031 12.8031 13.0917 13.0917
k = 0.1771 0.1771 0.1771 ( 6136 PWs) bands (ev):
-5.1968 -5.1968 -2.9429 -2.9429 -2.9250 -2.9250 -2.9245 -2.9245
-0.5743 -0.5743 -0.5739 -0.5739 -0.1196 -0.1196 0.0981 0.0981
1.5532 1.5532 1.5564 1.5564 2.4579 2.4579 2.8576 2.8576
3.9850 3.9850 3.9926 3.9926 4.0938 4.0938 4.2809 4.2809
4.2905 4.2905 5.9458 5.9458 6.0867 6.0867 6.0916 6.0916
6.9191 6.9191 6.9700 6.9700 6.9788 6.9788 8.6889 8.6889
8.6991 8.6991 8.7629 8.7629 9.2221 9.2221 9.2258 9.2258
10.9024 10.9024 11.6318 11.6318 12.0869 12.0869 12.6568 12.6568
12.6660 12.6660 13.0152 13.0152
k = 0.1875 0.1875 0.1875 ( 6145 PWs) bands (ev):
-5.1514 -5.1514 -2.9670 -2.9670 -2.9485 -2.9485 -2.9481 -2.9481
-0.6113 -0.6113 -0.6109 -0.6109 -0.2044 -0.2044 0.1356 0.1356
1.6028 1.6028 1.6059 1.6059 2.4949 2.4949 2.7935 2.7935
4.0307 4.0307 4.0382 4.0382 4.1192 4.1192 4.3175 4.3175
4.3275 4.3275 5.9494 5.9494 6.0889 6.0889 6.0945 6.0945
7.0003 7.0003 7.0872 7.0872 7.0951 7.0951 8.5849 8.5849
8.5944 8.5944 8.7027 8.7027 9.2289 9.2289 9.2336 9.2336
10.8729 10.8729 11.5538 11.5538 11.9928 11.9928 12.5212 12.5212
12.5294 12.5294 12.9469 12.9469
k = 0.1979 0.1979 0.1979 ( 6139 PWs) bands (ev):
-5.1037 -5.1037 -2.9901 -2.9901 -2.9712 -2.9712 -2.9708 -2.9708
-0.6539 -0.6539 -0.6535 -0.6535 -0.2926 -0.2926 0.1702 0.1702
1.6612 1.6612 1.6642 1.6642 2.5117 2.5117 2.7562 2.7562
4.0778 4.0778 4.0853 4.0853 4.1499 4.1499 4.3571 4.3571
4.3675 4.3675 5.9493 5.9493 6.0884 6.0884 6.0946 6.0946
7.0796 7.0796 7.2068 7.2068 7.2139 7.2139 8.4811 8.4811
8.4901 8.4901 8.6358 8.6358 9.2301 9.2301 9.2357 9.2357
10.8389 10.8389 11.4740 11.4740 11.9196 11.9196 12.3867 12.3867
12.3939 12.3939 12.8869 12.8870
k = 0.2083 0.2083 0.2083 ( 6136 PWs) bands (ev):
-5.0534 -5.0534 -3.0120 -3.0120 -2.9930 -2.9930 -2.9926 -2.9926
-0.7014 -0.7014 -0.7010 -0.7010 -0.3813 -0.3813 0.1971 0.1971
1.7277 1.7277 1.7306 1.7306 2.4992 2.4992 2.7577 2.7577
4.1263 4.1263 4.1338 4.1338 4.1855 4.1855 4.3997 4.3997
4.4106 4.4106 5.9466 5.9466 6.0865 6.0865 6.0932 6.0932
7.1538 7.1538 7.3261 7.3261 7.3326 7.3326 8.3784 8.3784
8.3872 8.3872 8.5635 8.5635 9.2246 9.2246 9.2311 9.2311
10.7977 10.7977 11.3948 11.3948 11.8689 11.8689 12.2537 12.2537
12.2602 12.2602 12.8350 12.8351
k = 0.2188 0.2187 0.2187 ( 6133 PWs) bands (ev):
-5.0007 -5.0007 -3.0329 -3.0329 -3.0136 -3.0136 -3.0132 -3.0132
-0.7529 -0.7529 -0.7525 -0.7525 -0.4696 -0.4696 0.2138 0.2138
1.8016 1.8016 1.8044 1.8044 2.4682 2.4682 2.7896 2.7896
4.1762 4.1762 4.1836 4.1836 4.2254 4.2254 4.4454 4.4454
4.4566 4.4566 5.9424 5.9424 6.0839 6.0839 6.0910 6.0910
7.2198 7.2198 7.4425 7.4425 7.4486 7.4486 8.2783 8.2783
8.2869 8.2869 8.4872 8.4872 9.2118 9.2118 9.2189 9.2189
10.7481 10.7481 11.3193 11.3193 11.8395 11.8395 12.1227 12.1227
12.1285 12.1285 12.7903 12.7904
k = 0.2292 0.2292 0.2292 ( 6118 PWs) bands (ev):
-4.9455 -4.9455 -3.0524 -3.0524 -3.0332 -3.0332 -3.0328 -3.0328
-0.8076 -0.8076 -0.8073 -0.8073 -0.5569 -0.5569 0.2180 0.2180
1.8821 1.8821 1.8848 1.8848 2.4363 2.4363 2.8369 2.8369
4.2271 4.2271 4.2346 4.2346 4.2691 4.2691 4.4941 4.4941
4.5056 4.5056 5.9374 5.9374 6.0814 6.0814 6.0887 6.0887
7.2742 7.2742 7.5523 7.5523 7.5581 7.5581 8.1829 8.1829
8.1912 8.1912 8.4086 8.4086 9.1911 9.1911 9.1989 9.1989
10.6902 10.6902 11.2518 11.2518 11.8275 11.8275 11.9941 11.9941
11.9992 11.9992 12.7512 12.7512
k = 0.2396 0.2396 0.2396 ( 6124 PWs) bands (ev):
-4.8880 -4.8880 -3.0706 -3.0706 -3.0515 -3.0515 -3.0511 -3.0511
-0.8650 -0.8650 -0.8647 -0.8647 -0.6430 -0.6430 0.2082 0.2082
1.9685 1.9685 1.9712 1.9712 2.4133 2.4133 2.8915 2.8915
4.2791 4.2791 4.2867 4.2867 4.3161 4.3161 4.5460 4.5460
4.5577 4.5577 5.9322 5.9322 6.0792 6.0792 6.0867 6.0867
7.3139 7.3139 7.6486 7.6486 7.6545 7.6545 8.0976 8.0976
8.1053 8.1053 8.3294 8.3294 9.1625 9.1625 9.1709 9.1709
10.6247 10.6247 11.1962 11.1962 11.8268 11.8268 11.8680 11.8680
11.8725 11.8725 12.7152 12.7152
k = 0.2500 0.2500 0.2500 ( 6130 PWs) bands (ev):
-4.8281 -4.8281 -3.0874 -3.0874 -3.0685 -3.0685 -3.0681 -3.0681
-0.9243 -0.9243 -0.9239 -0.9239 -0.7277 -0.7277 0.1835 0.1835
2.0602 2.0602 2.0629 2.0629 2.4035 2.4035 2.9504 2.9504
4.3320 4.3320 4.3397 4.3397 4.3661 4.3661 4.6009 4.6009
4.6128 4.6128 5.9275 5.9275 6.0778 6.0778 6.0854 6.0854
7.3358 7.3358 7.7151 7.7151 7.7218 7.7218 8.0369 8.0369
8.0436 8.0436 8.2512 8.2512 9.1261 9.1261 9.1350 9.1350
10.5529 10.5529 11.1562 11.1562 11.7441 11.7441 11.7482 11.7482
11.8303 11.8303 12.6792 12.6792
k = 0.2604 0.2604 0.2604 ( 6124 PWs) bands (ev):
-4.7658 -4.7658 -3.1028 -3.1028 -3.0842 -3.0842 -3.0839 -3.0839
-0.9849 -0.9849 -0.9845 -0.9845 -0.8108 -0.8108 0.1436 0.1436
2.1566 2.1566 2.1592 2.1592 2.4089 2.4089 3.0120 3.0120
4.3857 4.3857 4.3934 4.3934 4.4186 4.4186 4.6589 4.6589
4.6709 4.6709 5.9238 5.9238 6.0774 6.0774 6.0851 6.0851
7.3377 7.3377 7.7222 7.7222 7.7303 7.7303 8.0289 8.0289
8.0342 8.0342 8.1751 8.1751 9.0824 9.0824 9.0916 9.0916
10.4764 10.4764 11.1342 11.1342 11.6225 11.6225 11.6261 11.6261
11.8293 11.8293 12.6401 12.6402
k = 0.2708 0.2708 0.2708 ( 6124 PWs) bands (ev):
-4.7013 -4.7013 -3.1167 -3.1167 -3.0985 -3.0985 -3.0982 -3.0982
-1.0462 -1.0462 -1.0459 -1.0459 -0.8921 -0.8921 0.0892 0.0892
2.2570 2.2570 2.2596 2.2596 2.4295 2.4295 3.0757 3.0757
4.4399 4.4399 4.4477 4.4477 4.4732 4.4732 4.7200 4.7200
4.7321 4.7321 5.9215 5.9215 6.0781 6.0781 6.0859 6.0859
7.3186 7.3186 7.6703 7.6703 7.6790 7.6790 8.0703 8.0703
8.0761 8.0761 8.1028 8.1028 9.0318 9.0318 9.0414 9.0414
10.3969 10.3969 11.1312 11.1312 11.5024 11.5024 11.5056 11.5056
11.8155 11.8155 12.5965 12.5967
k = 0.2812 0.2812 0.2812 ( 6124 PWs) bands (ev):
-4.6345 -4.6345 -3.1292 -3.1292 -3.1115 -3.1115 -3.1112 -3.1112
-1.1078 -1.1078 -1.1075 -1.1075 -0.9715 -0.9715 0.0216 0.0216
2.3609 2.3609 2.3636 2.3636 2.4649 2.4649 3.1410 3.1410
4.4946 4.4946 4.5025 4.5025 4.5294 4.5294 4.7841 4.7841
4.7962 4.7962 5.9211 5.9211 6.0801 6.0801 6.0879 6.0879
7.2788 7.2788 7.5920 7.5920 7.6009 7.6009 8.0293 8.0293
8.1311 8.1311 8.1346 8.1346 8.9753 8.9753 8.9852 8.9852
10.3157 10.3157 11.1465 11.1465 11.3830 11.3830 11.3859 11.3859
11.7823 11.7823 12.5499 12.5499
k = 0.2917 0.2917 0.2917 ( 6124 PWs) bands (ev):
-4.5655 -4.5655 -3.1402 -3.1402 -3.1231 -3.1231 -3.1228 -3.1228
-1.1693 -1.1693 -1.1690 -1.1690 -1.0489 -1.0489 -0.0577 -0.0577
2.4678 2.4678 2.4705 2.4705 2.5136 2.5136 3.2078 3.2078
4.5495 4.5495 4.5576 4.5576 4.5867 4.5867 4.8511 4.8511
4.8631 4.8631 5.9230 5.9230 6.0835 6.0835 6.0914 6.0914
7.2203 7.2203 7.5047 7.5047 7.5138 7.5138 7.9588 7.9588
8.1865 8.1865 8.1902 8.1902 8.9139 8.9139 8.9240 8.9240
10.2344 10.2344 11.1765 11.1765 11.2634 11.2634 11.2659 11.2659
11.7283 11.7283 12.5048 12.5049
k = 0.3021 0.3021 0.3021 ( 6124 PWs) bands (ev):
-4.4945 -4.4945 -3.1498 -3.1498 -3.1334 -3.1334 -3.1331 -3.1331
-1.2302 -1.2302 -1.2299 -1.2299 -1.1240 -1.1240 -0.1468 -0.1468
2.5729 2.5729 2.5784 2.5784 2.5801 2.5801 3.2758 3.2758
4.6045 4.6045 4.6128 4.6128 4.6446 4.6446 4.9209 4.9209
4.9329 4.9329 5.9279 5.9279 6.0883 6.0883 6.0963 6.0963
7.1460 7.1460 7.4146 7.4146 7.4237 7.4237 7.8870 7.8870
8.2314 8.2314 8.2353 8.2353 8.8486 8.8486 8.8589 8.8589
10.1540 10.1540 11.1421 11.1421 11.1445 11.1445 11.2119 11.2119
11.6622 11.6622 12.4672 12.4673
k = 0.3125 0.3125 0.3125 ( 6121 PWs) bands (ev):
-4.4213 -4.4213 -3.1579 -3.1579 -3.1423 -3.1423 -3.1420 -3.1420
-1.2902 -1.2902 -1.2900 -1.2900 -1.1967 -1.1967 -0.2440 -0.2440
2.6445 2.6445 2.6891 2.6891 2.6917 2.6917 3.3448 3.3448
4.6593 4.6593 4.6678 4.6678 4.7023 4.7023 4.9935 4.9935
5.0054 5.0054 5.9361 5.9361 6.0947 6.0947 6.1027 6.1027
7.0591 7.0591 7.3240 7.3240 7.3331 7.3331 7.8128 7.8128
8.2620 8.2620 8.2662 8.2662 8.7808 8.7808 8.7911 8.7911
10.0754 10.0754 11.0189 11.0189 11.0210 11.0210 11.2286 11.2286
11.6109 11.6109 12.4428 12.4428
k = 0.3229 0.3229 0.3229 ( 6133 PWs) bands (ev):
-4.3462 -4.3462 -3.1647 -3.1647 -3.1498 -3.1498 -3.1496 -3.1496
-1.3490 -1.3490 -1.3488 -1.3488 -1.2670 -1.2670 -0.3476 -0.3476
2.7239 2.7239 2.8023 2.8023 2.8051 2.8051 3.4146 3.4146
4.7138 4.7138 4.7225 4.7225 4.7591 4.7591 5.0687 5.0687
5.0804 5.0804 5.9482 5.9482 6.1026 6.1026 6.1106 6.1106
6.9624 6.9624 7.2338 7.2338 7.2430 7.2430 7.7352 7.7352
8.2765 8.2765 8.2811 8.2811 8.7116 8.7116 8.7218 8.7218
9.9994 9.9994 10.8930 10.8930 10.8949 10.8949 11.1888 11.1888
11.6163 11.6163 12.4357 12.4357
k = 0.3333 0.3333 0.3333 ( 6115 PWs) bands (ev):
-4.2692 -4.2692 -3.1700 -3.1700 -3.1561 -3.1561 -3.1559 -3.1559
-1.4063 -1.4063 -1.4061 -1.4061 -1.3346 -1.3346 -0.4561 -0.4561
2.8106 2.8106 2.9168 2.9168 2.9196 2.9196 3.4851 3.4851
4.7676 4.7676 4.7765 4.7765 4.8144 4.8144 5.1463 5.1463
5.1578 5.1578 5.9646 5.9646 6.1121 6.1121 6.1201 6.1201
6.8583 6.8583 7.1449 7.1449 7.1542 7.1542 7.6540 7.6540
8.2739 8.2739 8.2791 8.2791 8.6423 8.6423 8.6521 8.6521
9.9263 9.9263 10.7645 10.7645 10.7663 10.7663 11.0895 11.0895
11.6852 11.6852 12.4483 12.4483
k = 0.3438 0.3437 0.3437 ( 6127 PWs) bands (ev):
-4.1905 -4.1905 -3.1741 -3.1741 -3.1612 -3.1612 -3.1609 -3.1609
-1.4618 -1.4618 -1.4617 -1.4617 -1.3995 -1.3995 -0.5682 -0.5682
2.9035 2.9035 3.0320 3.0320 3.0349 3.0349 3.5560 3.5560
4.8204 4.8204 4.8296 4.8296 4.8674 4.8674 5.2260 5.2260
5.2373 5.2373 5.9858 5.9858 6.1230 6.1230 6.1310 6.1310
6.7488 6.7488 7.0577 7.0577 7.0670 7.0670 7.5695 7.5695
8.2547 8.2547 8.2606 8.2606 8.5735 8.5735 8.5829 8.5829
9.8567 9.8567 10.6342 10.6342 10.6358 10.6358 10.9584 10.9584
11.7922 11.7922 12.4814 12.4815
k = 0.3542 0.3542 0.3542 ( 6115 PWs) bands (ev):
-4.1102 -4.1102 -3.1770 -3.1770 -3.1651 -3.1651 -3.1648 -3.1648
-1.5153 -1.5153 -1.5152 -1.5152 -1.4615 -1.4615 -0.6828 -0.6828
3.0014 3.0014 3.1474 3.1474 3.1505 3.1505 3.6272 3.6272
4.8720 4.8720 4.8813 4.8813 4.9172 4.9172 5.3076 5.3076
5.3186 5.3186 6.0119 6.0119 6.1353 6.1353 6.1434 6.1434
6.6354 6.6354 6.9725 6.9725 6.9819 6.9819 7.4825 7.4825
8.2204 8.2204 8.2272 8.2272 8.5053 8.5053 8.5142 8.5142
9.7908 9.7908 10.5030 10.5030 10.5045 10.5045 10.8133 10.8133
11.9214 11.9214 12.5347 12.5347
k = 0.3646 0.3646 0.3646 ( 6109 PWs) bands (ev):
-4.0284 -4.0284 -3.1787 -3.1787 -3.1679 -3.1679 -3.1676 -3.1676
-1.5665 -1.5665 -1.5664 -1.5664 -1.5203 -1.5203 -0.7988 -0.7988
3.1036 3.1036 3.2627 3.2627 3.2658 3.2658 3.6981 3.6981
4.9217 4.9217 4.9312 4.9312 4.9633 4.9633 5.3907 5.3907
5.4015 5.4015 6.0428 6.0428 6.1488 6.1488 6.1570 6.1570
6.5199 6.5199 6.8900 6.8900 6.8994 6.8994 7.3938 7.3938
8.1738 8.1738 8.1814 8.1814 8.4370 8.4370 8.4454 8.4454
9.7288 9.7288 10.3722 10.3722 10.3735 10.3735 10.6622 10.6622
12.0652 12.0652 12.6068 12.6069
k = 0.3750 0.3750 0.3750 ( 6109 PWs) bands (ev):
-3.9456 -3.9456 -3.1794 -3.1794 -3.1697 -3.1697 -3.1695 -3.1695
-1.6152 -1.6152 -1.6151 -1.6151 -1.5760 -1.5760 -0.9153 -0.9153
3.2092 3.2092 3.3772 3.3772 3.3805 3.3805 3.7686 3.7686
4.9691 4.9691 4.9788 4.9788 5.0050 5.0050 5.4748 5.4748
5.4854 5.4854 6.0772 6.0772 6.1633 6.1633 6.1716 6.1716
6.4044 6.4044 6.8108 6.8108 6.8203 6.8203 7.3044 7.3044
8.1183 8.1183 8.1266 8.1266 8.3674 8.3674 8.3753 8.3753
9.6710 9.6710 10.2433 10.2433 10.2444 10.2444 10.5097 10.5097
12.2200 12.2200 12.6959 12.6959
k = 0.3854 0.3854 0.3854 ( 6103 PWs) bands (ev):
-3.8618 -3.8618 -3.1792 -3.1792 -3.1706 -3.1706 -3.1704 -3.1704
-1.6612 -1.6612 -1.6611 -1.6611 -1.6282 -1.6282 -1.0315 -1.0315
3.3175 3.3175 3.4903 3.4903 3.4938 3.4938 3.8382 3.8382
5.0136 5.0136 5.0234 5.0234 5.0421 5.0421 5.5594 5.5594
5.5697 5.5697 6.1090 6.1090 6.1782 6.1782 6.1869 6.1869
6.2957 6.2957 6.7358 6.7358 6.7453 6.7453 7.2154 7.2154
8.0573 8.0573 8.0663 8.0663 8.2954 8.2954 8.3031 8.3031
9.6174 9.6174 10.1177 10.1177 10.1186 10.1186 10.3586 10.3586
12.3831 12.3831 12.7998 12.7998
k = 0.3958 0.3958 0.3958 ( 6100 PWs) bands (ev):
-3.7775 -3.7775 -3.1781 -3.1781 -3.1708 -3.1708 -3.1706 -3.1706
-1.7041 -1.7041 -1.7040 -1.7040 -1.6768 -1.6768 -1.1465 -1.1465
3.4279 3.4279 3.6015 3.6015 3.6051 3.6051 3.9063 3.9063
5.0545 5.0545 5.0645 5.0645 5.0745 5.0745 5.6435 5.6435
5.6537 5.6537 6.0991 6.0991 6.1923 6.1923 6.2023 6.2023
6.2336 6.2336 6.6663 6.6663 6.6758 6.6758 7.1279 7.1279
7.9938 7.9938 8.0033 8.0033 8.2205 8.2205 8.2281 8.2281
9.5683 9.5683 9.9969 9.9969 9.9975 9.9975 10.2109 10.2109
12.5528 12.5528 12.9164 12.9164
k = 0.4062 0.4062 0.4062 ( 6088 PWs) bands (ev):
-3.6933 -3.6933 -3.1765 -3.1765 -3.1703 -3.1703 -3.1701 -3.1701
-1.7438 -1.7438 -1.7438 -1.7438 -1.7217 -1.7217 -1.2595 -1.2595
3.5396 3.5396 3.7098 3.7098 3.7136 3.7136 3.9724 3.9724
5.0909 5.0909 5.1012 5.1012 5.1025 5.1025 5.7262 5.7262
5.7362 5.7362 6.0075 6.0075 6.2071 6.2071 6.2165 6.2165
6.2552 6.2552 6.6043 6.6043 6.6138 6.6138 7.0431 7.0431
7.9303 7.9303 7.9401 7.9401 8.1429 8.1429 8.1506 8.1506
9.5236 9.5236 9.8824 9.8824 9.8827 9.8827 10.0686 10.0686
12.7277 12.7277 13.0436 13.0436
k = 0.4167 0.4167 0.4167 ( 6100 PWs) bands (ev):
-3.6097 -3.6097 -3.1744 -3.1744 -3.1693 -3.1693 -3.1691 -3.1691
-1.7802 -1.7802 -1.7801 -1.7801 -1.7626 -1.7626 -1.3696 -1.3696
3.6518 3.6518 3.8145 3.8145 3.8185 3.8185 4.0358 4.0358
5.1208 5.1208 5.1273 5.1273 5.1328 5.1328 5.8057 5.8057
5.8159 5.8159 5.8938 5.8938 6.2186 6.2186 6.2278 6.2278
6.3025 6.3025 6.5529 6.5529 6.5622 6.5622 6.9622 6.9622
7.8685 7.8685 7.8786 7.8786 8.0632 8.0632 8.0711 8.0711
9.4834 9.4834 9.7755 9.7755 9.7755 9.7755 9.9334 9.9334
12.9064 12.9064 13.1791 13.1791
k = 0.4271 0.4271 0.4271 ( 6100 PWs) bands (ev):
-3.5276 -3.5276 -3.1719 -3.1719 -3.1680 -3.1680 -3.1678 -3.1678
-1.8128 -1.8128 -1.8128 -1.8128 -1.7993 -1.7993 -1.4754 -1.4754
3.7638 3.7638 3.9143 3.9143 3.9185 3.9185 4.0955 4.0955
5.1418 5.1418 5.1511 5.1511 5.1586 5.1586 5.7760 5.7760
5.8818 5.8818 5.8911 5.8911 6.2238 6.2238 6.2332 6.2332
6.3555 6.3555 6.5164 6.5164 6.5253 6.5253 6.8864 6.8864
7.8102 7.8102 7.8203 7.8203 7.9824 7.9824 7.9907 7.9907
9.4479 9.4479 9.6772 9.6772 9.6776 9.6776 9.8069 9.8069
13.0877 13.0877 13.3211 13.3211
k = 0.4375 0.4375 0.4375 ( 6088 PWs) bands (ev):
-3.4483 -3.4483 -3.1694 -3.1694 -3.1664 -3.1664 -3.1662 -3.1662
-1.8417 -1.8417 -1.8416 -1.8416 -1.8317 -1.8317 -1.5757 -1.5757
3.8744 3.8744 4.0080 4.0080 4.0124 4.0124 4.1508 4.1508
5.1572 5.1572 5.1705 5.1705 5.1781 5.1781 5.6604 5.6604
5.9501 5.9501 5.9596 5.9596 6.2199 6.2199 6.2297 6.2297
6.4091 6.4091 6.4991 6.4991 6.5073 6.5073 6.8169 6.8169
7.7565 7.7565 7.7667 7.7667 7.9020 7.9020 7.9109 7.9109
9.4170 9.4170 9.5891 9.5891 9.5898 9.5898 9.6911 9.6911
13.2705 13.2705 13.4674 13.4675
k = 0.4479 0.4479 0.4479 ( 6089 PWs) bands (ev):
-3.3734 -3.3734 -3.1668 -3.1668 -3.1648 -3.1648 -3.1646 -3.1646
-1.8664 -1.8664 -1.8664 -1.8664 -1.8595 -1.8595 -1.6687 -1.6687
3.9818 3.9818 4.0939 4.0939 4.0985 4.0985 4.2005 4.2005
5.1689 5.1689 5.1838 5.1838 5.1911 5.1911 5.5481 5.5481
6.0097 6.0097 6.0193 6.0193 6.2068 6.2068 6.2174 6.2174
6.4605 6.4605 6.5019 6.5019 6.5090 6.5090 6.7550 6.7550
7.7088 7.7088 7.7189 7.7189 7.8242 7.8242 7.8337 7.8337
9.3908 9.3908 9.5124 9.5124 9.5135 9.5135 9.5879 9.5879
13.4534 13.4534 13.6158 13.6159
k = 0.4583 0.4583 0.4583 ( 6092 PWs) bands (ev):
-3.3050 -3.3050 -3.1644 -3.1644 -3.1633 -3.1633 -3.1631 -3.1631
-1.8870 -1.8870 -1.8870 -1.8870 -1.8825 -1.8825 -1.7520 -1.7520
4.0837 4.0837 4.1698 4.1698 4.1747 4.1747 4.2434 4.2434
5.1773 5.1773 5.1914 5.1914 5.1980 5.1980 5.4421 5.4421
6.0587 6.0587 6.0684 6.0684 6.1887 6.1887 6.2002 6.2002
6.5066 6.5066 6.5205 6.5205 6.5262 6.5262 6.7021 6.7021
7.6681 7.6681 7.6778 7.6778 7.7515 7.7515 7.7620 7.7620
9.3693 9.3693 9.4481 9.4481 9.4495 9.4495 9.4994 9.4994
13.6348 13.6348 13.7635 13.7635
k = 0.4688 0.4687 0.4687 ( 6092 PWs) bands (ev):
-3.2460 -3.2460 -3.1624 -3.1624 -3.1619 -3.1619 -3.1617 -3.1617
-1.9032 -1.9032 -1.9032 -1.9032 -1.9006 -1.9006 -1.8228 -1.8228
4.1762 4.1762 4.2334 4.2334 4.2386 4.2386 4.2785 4.2785
5.1828 5.1828 5.1944 5.1944 5.1999 5.1999 5.3463 5.3463
6.0964 6.0964 6.1057 6.1057 6.1705 6.1705 6.1831 6.1831
6.5435 6.5435 6.5495 6.5495 6.5517 6.5517 6.6594 6.6594
7.6353 7.6353 7.6442 7.6442 7.6874 7.6874 7.6995 7.6995
9.3526 9.3526 9.3971 9.3971 9.3987 9.3987 9.4277 9.4277
13.8119 13.8119 13.9066 13.9075
k = 0.4792 0.4792 0.4792 ( 6092 PWs) bands (ev):
-3.1998 -3.1998 -3.1609 -3.1609 -3.1609 -3.1609 -3.1606 -3.1606
-1.9148 -1.9148 -1.9148 -1.9148 -1.9136 -1.9136 -1.8774 -1.8774
4.2530 4.2530 4.2818 4.2818 4.2872 4.2872 4.3048 4.3048
5.1852 5.1852 5.1952 5.1952 5.1988 5.1988 5.2670 5.2670
6.1226 6.1226 6.1304 6.1304 6.1557 6.1557 6.1705 6.1705
6.5714 6.5714 6.5777 6.5777 6.5783 6.5783 6.6280 6.6280
7.6112 7.6112 7.6182 7.6182 7.6364 7.6364 7.6511 7.6511
9.3405 9.3405 9.3601 9.3601 9.3619 9.3619 9.3748 9.3748
13.9794 13.9794 14.0380 14.0381
k = 0.4896 0.4896 0.4896 ( 6110 PWs) bands (ev):
-3.1701 -3.1701 -3.1602 -3.1602 -3.1601 -3.1601 -3.1598 -3.1598
-1.9218 -1.9218 -1.9218 -1.9218 -1.9215 -1.9215 -1.9121 -1.9121
4.3037 4.3037 4.3136 4.3136 4.3178 4.3178 4.3218 4.3218
5.1845 5.1845 5.1957 5.1957 5.1969 5.1969 5.2136 5.2136
6.1380 6.1380 6.1414 6.1414 6.1463 6.1463 6.1657 6.1657
6.5906 6.5906 6.5969 6.5969 6.5974 6.5974 6.6092 6.6092
7.5965 7.5965 7.5993 7.5993 7.6031 7.6031 7.6224 7.6224
9.3331 9.3331 9.3377 9.3377 9.3391 9.3391 9.3430 9.3430
14.1214 14.1214 14.1425 14.1426
k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev):
-3.1600 -3.1600 -3.1600 -3.1600 -3.1598 -3.1598 -3.1594 -3.1594
-1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9241 -1.9241
4.3175 4.3175 4.3282 4.3282 4.3283 4.3283 4.3284 4.3284
5.1821 5.1821 5.1959 5.1959 5.1959 5.1959 5.1961 5.1961
6.1430 6.1430 6.1431 6.1431 6.1431 6.1431 6.1660 6.1660
6.5963 6.5963 6.6040 6.6040 6.6040 6.6040 6.6041 6.6041
7.5914 7.5914 7.5915 7.5915 7.5916 7.5916 7.6138 7.6138
9.3301 9.3301 9.3301 9.3301 9.3302 9.3302 9.3342 9.3342
14.1783 14.1783 14.1933 14.1934
k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev):
-3.1600 -3.1600 -3.1600 -3.1600 -3.1598 -3.1598 -3.1594 -3.1594
-1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9241 -1.9241
4.3175 4.3175 4.3282 4.3282 4.3283 4.3283 4.3284 4.3284
5.1821 5.1821 5.1959 5.1959 5.1959 5.1959 5.1961 5.1961
6.1430 6.1430 6.1431 6.1431 6.1431 6.1431 6.1660 6.1660
6.5963 6.5963 6.6040 6.6040 6.6040 6.6040 6.6041 6.6041
7.5914 7.5914 7.5915 7.5915 7.5916 7.5916 7.6138 7.6138
9.3301 9.3301 9.3301 9.3301 9.3302 9.3302 9.3342 9.3342
14.1783 14.1783 14.1933 14.1934
k = 0.4875 0.5000 0.4875 ( 6104 PWs) bands (ev):
-3.1662 -3.1662 -3.1660 -3.1660 -3.1590 -3.1590 -3.1587 -3.1587
-1.9230 -1.9230 -1.9230 -1.9230 -1.9161 -1.9161 -1.9160 -1.9160
4.3053 4.3053 4.3132 4.3132 4.3187 4.3187 4.3214 4.3214
5.1842 5.1842 5.1939 5.1939 5.2039 5.2039 5.2079 5.2079
6.1388 6.1388 6.1417 6.1417 6.1456 6.1456 6.1656 6.1656
6.5905 6.5905 6.5958 6.5958 6.6029 6.6029 6.6054 6.6054
7.5967 7.5967 7.5991 7.5991 7.6023 7.6023 7.6219 7.6219
9.3344 9.3344 9.3357 9.3357 9.3395 9.3395 9.3422 9.3422
14.1284 14.1284 14.1349 14.1349
k = 0.4750 0.5000 0.4750 ( 6100 PWs) bands (ev):
-3.1846 -3.1846 -3.1843 -3.1843 -3.1561 -3.1561 -3.1558 -3.1558
-1.9194 -1.9194 -1.9194 -1.9194 -1.8923 -1.8923 -1.8923 -1.8923
4.2646 4.2646 4.2703 4.2703 4.2968 4.2968 4.3012 4.3012
5.1800 5.1800 5.1876 5.1876 5.2353 5.2353 5.2410 5.2410
6.1261 6.1261 6.1331 6.1331 6.1528 6.1528 6.1682 6.1682
6.5682 6.5682 6.5729 6.5729 6.6064 6.6064 6.6096 6.6096
7.6119 7.6119 7.6183 7.6183 7.6333 7.6333 7.6484 7.6484
9.3471 9.3471 9.3490 9.3490 9.3673 9.3673 9.3696 9.3696
14.0036 14.0036 14.0063 14.0063
k = 0.4625 0.5000 0.4625 ( 6100 PWs) bands (ev):
-3.2136 -3.2136 -3.2134 -3.2134 -3.1513 -3.1513 -3.1510 -3.1510
-1.9135 -1.9135 -1.9134 -1.9134 -1.8543 -1.8543 -1.8542 -1.8542
4.2008 4.2008 4.2057 4.2057 4.2635 4.2635 4.2683 4.2683
5.1700 5.1700 5.1768 5.1768 5.2834 5.2834 5.2891 5.2891
6.1053 6.1053 6.1141 6.1141 6.1632 6.1632 6.1759 6.1759
6.5355 6.5355 6.5403 6.5403 6.6141 6.6141 6.6171 6.6171
7.6362 7.6362 7.6447 7.6447 7.6813 7.6813 7.6937 7.6937
9.3683 9.3683 9.3702 9.3702 9.4130 9.4130 9.4152 9.4152
13.8522 13.8522 13.8532 13.8532
k = 0.4500 0.5000 0.4500 ( 6096 PWs) bands (ev):
-3.2517 -3.2517 -3.2514 -3.2514 -3.1445 -3.1445 -3.1443 -3.1443
-1.9052 -1.9052 -1.9051 -1.9051 -1.8037 -1.8037 -1.8037 -1.8037
4.1211 4.1211 4.1254 4.1254 4.2188 4.2188 4.2235 4.2235
5.1551 5.1551 5.1614 5.1614 5.3403 5.3403 5.3459 5.3459
6.0772 6.0772 6.0864 6.0864 6.1733 6.1733 6.1842 6.1842
6.5010 6.5010 6.5056 6.5056 6.6259 6.6259 6.6287 6.6287
7.6683 7.6683 7.6776 7.6776 7.7425 7.7425 7.7531 7.7531
9.3977 9.3977 9.3996 9.3996 9.4756 9.4756 9.4777 9.4777
13.6908 13.6908 13.6909 13.6909
k = 0.4375 0.5000 0.4375 ( 6104 PWs) bands (ev):
-3.2967 -3.2967 -3.2964 -3.2964 -3.1359 -3.1359 -3.1357 -3.1357
-1.8945 -1.8945 -1.8944 -1.8944 -1.7427 -1.7427 -1.7426 -1.7426
4.0305 4.0305 4.0344 4.0344 4.1634 4.1634 4.1681 4.1681
5.1354 5.1354 5.1413 5.1413 5.4003 5.4003 5.4057 5.4057
6.0424 6.0424 6.0515 6.0515 6.1770 6.1770 6.1858 6.1858
6.4754 6.4754 6.4791 6.4791 6.6425 6.6425 6.6449 6.6449
7.7069 7.7069 7.7165 7.7165 7.8130 7.8130 7.8225 7.8225
9.4352 9.4352 9.4371 9.4371 9.5539 9.5539 9.5560 9.5560
13.5255 13.5255 13.5262 13.5262
k = 0.4250 0.5000 0.4250 ( 6084 PWs) bands (ev):
-3.3469 -3.3469 -3.3467 -3.3467 -3.1254 -3.1254 -3.1252 -3.1252
-1.8814 -1.8814 -1.8814 -1.8814 -1.6730 -1.6730 -1.6730 -1.6730
3.9326 3.9326 3.9362 3.9362 4.0985 4.0985 4.1031 4.1031
5.1109 5.1109 5.1165 5.1165 5.4591 5.4591 5.4642 5.4642
6.0016 6.0016 6.0102 6.0102 6.1671 6.1671 6.1732 6.1732
6.4697 6.4697 6.4714 6.4714 6.6645 6.6645 6.6664 6.6664
7.7506 7.7506 7.7604 7.7604 7.8897 7.8897 7.8982 7.8982
9.4805 9.4805 9.4824 9.4824 9.6463 9.6463 9.6484 9.6484
13.3603 13.3603 13.3613 13.3613
k = 0.4125 0.5000 0.4125 ( 6086 PWs) bands (ev):
-3.4008 -3.4008 -3.4006 -3.4006 -3.1131 -3.1131 -3.1128 -3.1128
-1.8660 -1.8660 -1.8660 -1.8660 -1.5964 -1.5964 -1.5963 -1.5963
3.8298 3.8298 3.8331 3.8331 4.0253 4.0253 4.0297 4.0297
5.0820 5.0820 5.0873 5.0873 5.5131 5.5131 5.5180 5.5180
5.9556 5.9556 5.9632 5.9632 6.1419 6.1419 6.1456 6.1456
6.4870 6.4870 6.4874 6.4874 6.6925 6.6925 6.6942 6.6942
7.7986 7.7986 7.8084 7.8084 7.9698 7.9698 7.9774 7.9774
9.5333 9.5333 9.5352 9.5352 9.7514 9.7514 9.7535 9.7535
13.1975 13.1975 13.1988 13.1988
k = 0.4000 0.5000 0.4000 ( 6086 PWs) bands (ev):
-3.4572 -3.4572 -3.4570 -3.4570 -3.0989 -3.0989 -3.0986 -3.0986
-1.8483 -1.8483 -1.8482 -1.8482 -1.5140 -1.5140 -1.5139 -1.5139
3.7238 3.7238 3.7270 3.7270 3.9448 3.9448 3.9490 3.9490
5.0490 5.0490 5.0541 5.0541 5.5592 5.5592 5.5638 5.5638
5.9053 5.9053 5.9115 5.9115 6.1077 6.1077 6.1101 6.1101
6.5215 6.5215 6.5233 6.5233 6.7277 6.7277 6.7291 6.7291
7.8499 7.8499 7.8597 7.8597 8.0508 8.0508 8.0577 8.0577
9.5932 9.5932 9.5951 9.5951 9.8675 9.8675 9.8696 9.8696
13.0392 13.0392 13.0407 13.0407
k = 0.3875 0.5000 0.3875 ( 6088 PWs) bands (ev):
-3.5152 -3.5152 -3.5150 -3.5150 -3.0829 -3.0829 -3.0826 -3.0826
-1.8282 -1.8282 -1.8282 -1.8282 -1.4270 -1.4270 -1.4269 -1.4269
3.6160 3.6160 3.6190 3.6190 3.8579 3.8579 3.8620 3.8620
5.0126 5.0126 5.0174 5.0174 5.5934 5.5934 5.5973 5.5973
5.8527 5.8527 5.8569 5.8569 6.0730 6.0730 6.0751 6.0751
6.5673 6.5673 6.5699 6.5699 6.7714 6.7714 6.7727 6.7727
7.9039 7.9039 7.9137 7.9137 8.1307 8.1307 8.1369 8.1369
9.6599 9.6599 9.6617 9.6617 9.9932 9.9932 9.9952 9.9952
12.8873 12.8873 12.8888 12.8888
k = 0.3750 0.5000 0.3750 ( 6092 PWs) bands (ev):
-3.5738 -3.5738 -3.5736 -3.5736 -3.0651 -3.0651 -3.0649 -3.0649
-1.8058 -1.8058 -1.8058 -1.8058 -1.3363 -1.3363 -1.3362 -1.3362
3.5072 3.5072 3.5101 3.5101 3.7655 3.7655 3.7695 3.7695
4.9733 4.9733 4.9779 4.9779 5.6104 5.6104 5.6129 5.6129
5.8021 5.8021 5.8036 5.8036 6.0448 6.0448 6.0472 6.0472
6.6181 6.6181 6.6212 6.6212 6.8250 6.8250 6.8262 6.8262
7.9601 7.9601 7.9698 7.9698 8.2073 8.2073 8.2128 8.2128
9.7328 9.7328 9.7346 9.7346 10.1267 10.1267 10.1286 10.1286
12.7437 12.7437 12.7452 12.7452
k = 0.3625 0.5000 0.3625 ( 6100 PWs) bands (ev):
-3.6326 -3.6326 -3.6324 -3.6324 -3.0456 -3.0456 -3.0453 -3.0453
-1.7812 -1.7812 -1.7811 -1.7811 -1.2428 -1.2428 -1.2427 -1.2427
3.3983 3.3983 3.4011 3.4011 3.6686 3.6686 3.6725 3.6725
4.9317 4.9317 4.9362 4.9362 5.6025 5.6025 5.6029 5.6029
5.7577 5.7577 5.7594 5.7594 6.0280 6.0280 6.0305 6.0305
6.6697 6.6697 6.6730 6.6730 6.8893 6.8893 6.8906 6.8906
8.0180 8.0180 8.0276 8.0276 8.2785 8.2785 8.2833 8.2833
9.8114 9.8114 9.8131 9.8131 10.2666 10.2666 10.2685 10.2685
12.6105 12.6105 12.6119 12.6119
k = 0.3500 0.5000 0.3500 ( 6104 PWs) bands (ev):
-3.6911 -3.6911 -3.6909 -3.6909 -3.0244 -3.0244 -3.0242 -3.0242
-1.7542 -1.7542 -1.7542 -1.7542 -1.1471 -1.1471 -1.1470 -1.1470
3.2900 3.2900 3.2927 3.2927 3.5678 3.5678 3.5716 3.5716
4.8884 4.8884 4.8928 4.8928 5.5662 5.5662 5.5674 5.5674
5.7225 5.7225 5.7261 5.7261 6.0246 6.0246 6.0270 6.0270
6.7201 6.7201 6.7236 6.7236 6.9638 6.9638 6.9653 6.9653
8.0771 8.0771 8.0866 8.0866 8.3424 8.3424 8.3466 8.3466
9.8952 9.8952 9.8968 9.8968 10.4113 10.4113 10.4131 10.4131
12.4899 12.4899 12.4910 12.4910
k = 0.3375 0.5000 0.3375 ( 6120 PWs) bands (ev):
-3.7488 -3.7488 -3.7487 -3.7487 -3.0016 -3.0016 -3.0013 -3.0013
-1.7251 -1.7251 -1.7250 -1.7250 -1.0499 -1.0499 -1.0498 -1.0498
3.1828 3.1828 3.1855 3.1855 3.4637 3.4637 3.4675 3.4675
4.8440 4.8440 4.8484 4.8484 5.5123 5.5123 5.5137 5.5137
5.6920 5.6920 5.6958 5.6958 6.0336 6.0336 6.0355 6.0355
6.7689 6.7689 6.7726 6.7726 7.0468 7.0468 7.0486 7.0486
8.1367 8.1367 8.1460 8.1460 8.3974 8.3974 8.4008 8.4008
9.9836 9.9836 9.9851 9.9851 10.5593 10.5593 10.5610 10.5610
12.3839 12.3839 12.3847 12.3847
k = 0.3250 0.5000 0.3250 ( 6116 PWs) bands (ev):
-3.8056 -3.8056 -3.8054 -3.8054 -2.9772 -2.9772 -2.9769 -2.9769
-1.6937 -1.6937 -1.6936 -1.6936 -0.9518 -0.9518 -0.9516 -0.9516
3.0774 3.0774 3.0800 3.0800 3.3572 3.3572 3.3608 3.3608
4.7990 4.7990 4.8033 4.8033 5.4507 5.4507 5.4517 5.4517
5.6603 5.6603 5.6636 5.6636 6.0516 6.0516 6.0530 6.0530
6.8165 6.8165 6.8205 6.8205 7.1359 7.1359 7.1383 7.1383
8.1957 8.1957 8.2049 8.2049 8.4422 8.4422 8.4449 8.4449
10.0761 10.0761 10.0773 10.0773 10.7089 10.7089 10.7104 10.7104
12.2945 12.2945 12.2949 12.2949
k = 0.3125 0.5000 0.3125 ( 6126 PWs) bands (ev):
-3.8611 -3.8611 -3.8610 -3.8610 -2.9513 -2.9513 -2.9510 -2.9510
-1.6601 -1.6601 -1.6600 -1.6600 -0.8533 -0.8533 -0.8531 -0.8531
2.9744 2.9744 2.9769 2.9769 3.2486 3.2486 3.2523 3.2523
4.7538 4.7538 4.7581 4.7581 5.3866 5.3866 5.3870 5.3870
5.6263 5.6263 5.6289 5.6289 6.0753 6.0753 6.0763 6.0763
6.8636 6.8636 6.8679 6.8679 7.2292 7.2292 7.2321 7.2321
8.2519 8.2519 8.2609 8.2609 8.4770 8.4770 8.4789 8.4789
10.1719 10.1719 10.1730 10.1730 10.8583 10.8583 10.8596 10.8596
12.2232 12.2232 12.2235 12.2235
k = 0.3000 0.5000 0.3000 ( 6142 PWs) bands (ev):
-3.9153 -3.9153 -3.9151 -3.9151 -2.9239 -2.9239 -2.9236 -2.9236
-1.6244 -1.6244 -1.6243 -1.6243 -0.7552 -0.7552 -0.7549 -0.7549
2.8742 2.8742 2.8766 2.8766 3.1387 3.1387 3.1423 3.1423
4.7087 4.7087 4.7129 4.7129 5.3221 5.3221 5.3222 5.3222
5.5905 5.5905 5.5925 5.5925 6.1025 6.1025 6.1031 6.1031
6.9105 6.9105 6.9151 6.9151 7.3246 7.3246 7.3282 7.3282
8.3006 8.3006 8.3094 8.3094 8.5049 8.5049 8.5060 8.5060
10.2709 10.2709 10.2716 10.2716 11.0053 11.0053 11.0065 11.0065
12.1707 12.1707 12.1716 12.1716
k = 0.2875 0.5000 0.2875 ( 6138 PWs) bands (ev):
-3.9678 -3.9678 -3.9676 -3.9676 -2.8952 -2.8952 -2.8949 -2.8949
-1.5865 -1.5865 -1.5865 -1.5865 -0.6580 -0.6580 -0.6577 -0.6577
2.7774 2.7774 2.7798 2.7798 3.0280 3.0280 3.0317 3.0317
4.6641 4.6641 4.6683 4.6683 5.2583 5.2583 5.2589 5.2589
5.5537 5.5537 5.5552 5.5552 6.1317 6.1317 6.1319 6.1319
6.9575 6.9575 6.9624 6.9624 7.4206 7.4206 7.4250 7.4250
8.3328 8.3328 8.3409 8.3409 8.5340 8.5340 8.5348 8.5348
10.3725 10.3725 10.3729 10.3729 11.1477 11.1477 11.1486 11.1486
12.1371 12.1371 12.1388 12.1388
k = 0.2750 0.5000 0.2750 ( 6138 PWs) bands (ev):
-4.0186 -4.0186 -4.0185 -4.0185 -2.8652 -2.8652 -2.8650 -2.8650
-1.5466 -1.5466 -1.5466 -1.5466 -0.5626 -0.5626 -0.5622 -0.5622
2.6846 2.6846 2.6868 2.6868 2.9172 2.9172 2.9210 2.9210
4.6201 4.6201 4.6243 4.6243 5.1963 5.1963 5.1974 5.1974
5.5167 5.5167 5.5177 5.5177 6.1619 6.1619 6.1620 6.1620
7.0046 7.0046 7.0099 7.0099 7.5155 7.5155 7.5208 7.5208
8.3380 8.3380 8.3448 8.3448 8.5747 8.5747 8.5755 8.5755
10.4765 10.4765 10.4766 10.4766 11.2827 11.2827 11.2835 11.2835
12.1208 12.1208 12.1232 12.1232
k = 0.2625 0.5000 0.2625 ( 6130 PWs) bands (ev):
-4.0676 -4.0676 -4.0675 -4.0675 -2.8341 -2.8341 -2.8338 -2.8338
-1.5047 -1.5047 -1.5047 -1.5047 -0.4698 -0.4698 -0.4692 -0.4692
2.5962 2.5962 2.5982 2.5982 2.8070 2.8070 2.8109 2.8109
4.5771 4.5771 4.5813 4.5813 5.1366 5.1366 5.1381 5.1381
5.4798 5.4798 5.4804 5.4804 6.1926 6.1926 6.1929 6.1929
7.0520 7.0520 7.0576 7.0576 7.6078 7.6078 7.6139 7.6139
8.3143 8.3143 8.3199 8.3199 8.6296 8.6296 8.6305 8.6305
10.5824 10.5824 10.5828 10.5828 11.4076 11.4076 11.4082 11.4082
12.1184 12.1184 12.1215 12.1215
k = 0.2500 0.5000 0.2500 ( 6138 PWs) bands (ev):
-4.1147 -4.1147 -4.1146 -4.1146 -2.8019 -2.8019 -2.8016 -2.8016
-1.4609 -1.4609 -1.4608 -1.4608 -0.3803 -0.3803 -0.3797 -0.3797
2.5123 2.5123 2.5141 2.5141 2.6985 2.6985 2.7027 2.7027
4.5352 4.5352 4.5393 4.5393 5.0795 5.0795 5.0814 5.0814
5.4434 5.4434 5.4437 5.4437 6.2236 6.2236 6.2240 6.2240
7.0995 7.0995 7.1055 7.1055 7.6956 7.6956 7.7025 7.7025
8.2677 8.2677 8.2726 8.2726 8.6949 8.6949 8.6955 8.6955
10.6904 10.6904 10.6912 10.6912 11.5195 11.5195 11.5200 11.5200
12.1249 12.1249 12.1285 12.1285
k = 0.2375 0.5000 0.2375 ( 6134 PWs) bands (ev):
-4.1598 -4.1598 -4.1597 -4.1597 -2.7688 -2.7688 -2.7685 -2.7685
-1.4152 -1.4152 -1.4151 -1.4151 -0.2953 -0.2953 -0.2946 -0.2946
2.4324 2.4324 2.4338 2.4338 2.5934 2.5934 2.5981 2.5981
4.4946 4.4946 4.4987 4.4987 5.0252 5.0252 5.0274 5.0274
5.4077 5.4077 5.4078 5.4078 6.2545 6.2545 6.2551 6.2551
7.1470 7.1470 7.1535 7.1535 7.7762 7.7762 7.7836 7.7836
8.2050 8.2050 8.2098 8.2098 8.7670 8.7670 8.7671 8.7671
10.8003 10.8003 10.8016 10.8016 11.6157 11.6157 11.6163 11.6163
12.1348 12.1348 12.1386 12.1386
k = 0.2250 0.5000 0.2250 ( 6138 PWs) bands (ev):
-4.2029 -4.2029 -4.2027 -4.2027 -2.7349 -2.7349 -2.7347 -2.7347
-1.3677 -1.3677 -1.3676 -1.3676 -0.2158 -0.2158 -0.2149 -0.2149
2.3547 2.3547 2.3555 2.3555 2.4952 2.4952 2.5004 2.5004
4.4554 4.4554 4.4594 4.4594 4.9738 4.9738 4.9763 4.9763
5.3729 5.3729 5.3731 5.3731 6.2851 6.2851 6.2858 6.2858
7.1943 7.1943 7.2013 7.2013 7.8442 7.8442 7.8511 7.8511
8.1348 8.1348 8.1406 8.1406 8.8436 8.8436 8.8443 8.8443
10.9118 10.9118 10.9134 10.9134 11.6941 11.6941 11.6950 11.6950
12.1432 12.1432 12.1470 12.1470
k = 0.2125 0.5000 0.2125 ( 6138 PWs) bands (ev):
-4.2438 -4.2438 -4.2437 -4.2437 -2.7005 -2.7005 -2.7002 -2.7002
-1.3185 -1.3185 -1.3184 -1.3184 -0.1428 -0.1428 -0.1419 -0.1419
2.2746 2.2746 2.2749 2.2749 2.4095 2.4095 2.4154 2.4154
4.4176 4.4176 4.4216 4.4216 4.9253 4.9253 4.9282 4.9282
5.3391 5.3391 5.3394 5.3394 6.3151 6.3151 6.3160 6.3160
7.2411 7.2411 7.2486 7.2486 7.8820 7.8820 7.8860 7.8860
8.0773 8.0773 8.0867 8.0867 8.9243 8.9243 8.9259 8.9259
11.0241 11.0241 11.0262 11.0262 11.7536 11.7536 11.7550 11.7550
12.1469 12.1469 12.1504 12.1504
k = 0.2000 0.5000 0.2000 ( 6130 PWs) bands (ev):
-4.2826 -4.2826 -4.2825 -4.2825 -2.6656 -2.6656 -2.6653 -2.6653
-1.2678 -1.2678 -1.2677 -1.2677 -0.0777 -0.0777 -0.0766 -0.0766
2.1875 2.1875 2.1876 2.1876 2.3424 2.3424 2.3486 2.3486
4.3815 4.3815 4.3854 4.3854 4.8800 4.8800 4.8831 4.8831
5.3065 5.3065 5.3070 5.3070 6.3443 6.3443 6.3453 6.3453
7.2866 7.2866 7.2949 7.2949 7.8531 7.8531 7.8537 7.8537
8.0716 8.0716 8.0852 8.0852 9.0087 9.0087 9.0112 9.0112
11.1360 11.1360 11.1385 11.1385 11.7948 11.7948 11.7966 11.7966
12.1443 12.1443 12.1475 12.1475
k = 0.1875 0.5000 0.1875 ( 6146 PWs) bands (ev):
-4.3192 -4.3192 -4.3191 -4.3191 -2.6305 -2.6305 -2.6303 -2.6303
-1.2156 -1.2156 -1.2155 -1.2155 -0.0213 -0.0213 -0.0201 -0.0201
2.0936 2.0936 2.0938 2.0938 2.2950 2.2950 2.3011 2.3011
4.3470 4.3470 4.3509 4.3509 4.8378 4.8378 4.8412 4.8412
5.2752 5.2752 5.2758 5.2758 6.3722 6.3722 6.3733 6.3733
7.3293 7.3293 7.3384 7.3384 7.7735 7.7735 7.7738 7.7738
8.1050 8.1050 8.1200 8.1200 9.0966 9.0966 9.0999 9.0999
11.2450 11.2450 11.2480 11.2480 11.8209 11.8209 11.8233 11.8233
12.1357 12.1357 12.1384 12.1384
k = 0.1750 0.5000 0.1750 ( 6142 PWs) bands (ev):
-4.3536 -4.3536 -4.3534 -4.3534 -2.5954 -2.5954 -2.5952 -2.5952
-1.1622 -1.1622 -1.1620 -1.1620 0.0254 0.0254 0.0268 0.0268
1.9965 1.9965 1.9969 1.9969 2.2646 2.2646 2.2705 2.2705
4.3142 4.3142 4.3181 4.3181 4.7988 4.7988 4.8024 4.8024
5.2452 5.2452 5.2459 5.2459 6.3984 6.3984 6.3996 6.3996
7.3649 7.3649 7.3752 7.3752 7.6827 7.6827 7.6836 7.6836
8.1445 8.1445 8.1600 8.1600 9.1874 9.1874 9.1914 9.1914
11.3466 11.3466 11.3500 11.3500 11.8388 11.8388 11.8415 11.8415
12.1236 12.1236 12.1260 12.1260
k = 0.1625 0.5000 0.1625 ( 6140 PWs) bands (ev):
-4.3857 -4.3857 -4.3856 -4.3856 -2.5606 -2.5606 -2.5603 -2.5603
-1.1076 -1.1076 -1.1075 -1.1075 0.0619 0.0619 0.0634 0.0634
1.8991 1.8991 1.8997 1.8997 2.2490 2.2490 2.2547 2.2547
4.2833 4.2833 4.2870 4.2870 4.7629 4.7629 4.7668 4.7668
5.2166 5.2166 5.2174 5.2174 6.4221 6.4221 6.4234 6.4234
7.3802 7.3802 7.3915 7.3915 7.6068 7.6068 7.6081 7.6081
8.1797 8.1797 8.1955 8.1955 9.2805 9.2805 9.2849 9.2849
11.4320 11.4320 11.4358 11.4358 11.8592 11.8592 11.8622 11.8622
12.1124 12.1124 12.1146 12.1146
k = 0.1500 0.5000 0.1500 ( 6156 PWs) bands (ev):
-4.4155 -4.4155 -4.4154 -4.4154 -2.5263 -2.5263 -2.5260 -2.5260
-1.0523 -1.0523 -1.0520 -1.0520 0.0881 0.0881 0.0896 0.0896
1.8032 1.8032 1.8039 1.8039 2.2466 2.2466 2.2522 2.2522
4.2542 4.2542 4.2579 4.2579 4.7303 4.7303 4.7343 4.7343
5.1894 5.1894 5.1903 5.1903 6.4427 6.4427 6.4440 6.4440
7.3487 7.3487 7.3584 7.3584 7.5793 7.5793 7.5801 7.5801
8.2080 8.2080 8.2240 8.2240 9.3749 9.3749 9.3796 9.3796
11.4891 11.4891 11.4930 11.4930 11.8959 11.8959 11.8986 11.8986
12.1073 12.1073 12.1096 12.1096
k = 0.1375 0.5000 0.1375 ( 6152 PWs) bands (ev):
-4.4430 -4.4430 -4.4429 -4.4429 -2.4928 -2.4928 -2.4925 -2.4925
-0.9963 -0.9963 -0.9960 -0.9960 0.1041 0.1041 0.1057 0.1057
1.7100 1.7100 1.7108 1.7108 2.2560 2.2560 2.2614 2.2614
4.2270 4.2270 4.2306 4.2306 4.7010 4.7010 4.7051 4.7051
5.1636 5.1636 5.1646 5.1646 6.4589 6.4589 6.4603 6.4603
7.2745 7.2745 7.2818 7.2818 7.5963 7.5963 7.6000 7.6000
8.2286 8.2286 8.2447 8.2447 9.4696 9.4696 9.4745 9.4745
11.5110 11.5110 11.5145 11.5145 11.9524 11.9524 11.9543 11.9543
12.1167 12.1167 12.1194 12.1194
k = 0.1250 0.5000 0.1250 ( 6140 PWs) bands (ev):
-4.4682 -4.4682 -4.4681 -4.4681 -2.4604 -2.4604 -2.4602 -2.4602
-0.9401 -0.9401 -0.9398 -0.9398 0.1107 0.1107 0.1124 0.1124
1.6205 1.6205 1.6213 1.6213 2.2755 2.2755 2.2807 2.2807
4.2018 4.2018 4.2052 4.2052 4.6748 4.6748 4.6791 4.6791
5.1393 5.1393 5.1403 5.1403 6.4693 6.4693 6.4707 6.4707
7.1882 7.1882 7.1942 7.1942 7.6320 7.6320 7.6375 7.6375
8.2418 8.2418 8.2578 8.2578 9.5633 9.5633 9.5683 9.5683
11.5044 11.5044 11.5073 11.5073 12.0066 12.0066 12.0076 12.0076
12.1594 12.1594 12.1624 12.1624
k = 0.1125 0.5000 0.1125 ( 6148 PWs) bands (ev):
-4.4910 -4.4910 -4.4909 -4.4909 -2.4296 -2.4296 -2.4293 -2.4293
-0.8840 -0.8840 -0.8837 -0.8837 0.1091 0.1091 0.1107 0.1107
1.5353 1.5353 1.5361 1.5361 2.3032 2.3032 2.3082 2.3082
4.1785 4.1785 4.1819 4.1819 4.6519 4.6519 4.6562 4.6562
5.1165 5.1165 5.1175 5.1175 6.4721 6.4721 6.4735 6.4735
7.1056 7.1056 7.1107 7.1107 7.6738 7.6738 7.6805 7.6805
8.2477 8.2477 8.2636 8.2636 9.6549 9.6549 9.6598 9.6598
11.4809 11.4809 11.4834 11.4834 12.0363 12.0363 12.0371 12.0371
12.2475 12.2475 12.2503 12.2503
k = 0.1000 0.5000 0.1000 ( 6140 PWs) bands (ev):
-4.5115 -4.5115 -4.5113 -4.5113 -2.4005 -2.4005 -2.4003 -2.4003
-0.8286 -0.8286 -0.8283 -0.8283 0.1005 0.1005 0.1021 0.1021
1.4554 1.4554 1.4562 1.4562 2.3370 2.3370 2.3417 2.3417
4.1574 4.1574 4.1605 4.1605 4.6322 4.6322 4.6365 4.6365
5.0952 5.0952 5.0963 5.0963 6.4653 6.4653 6.4666 6.4666
7.0337 7.0337 7.0382 7.0382 7.7180 7.7180 7.7255 7.7255
8.2470 8.2470 8.2625 8.2625 9.7428 9.7428 9.7475 9.7475
11.4497 11.4497 11.4517 11.4517 12.0525 12.0525 12.0533 12.0533
12.3623 12.3623 12.3650 12.3650
k = 0.0875 0.5000 0.0875 ( 6140 PWs) bands (ev):
-4.5295 -4.5295 -4.5294 -4.5294 -2.3737 -2.3737 -2.3735 -2.3735
-0.7746 -0.7746 -0.7742 -0.7742 0.0864 0.0864 0.0879 0.0879
1.3816 1.3816 1.3824 1.3824 2.3745 2.3745 2.3789 2.3789
4.1384 4.1384 4.1413 4.1413 4.6157 4.6157 4.6198 4.6198
5.0756 5.0756 5.0767 5.0767 6.4480 6.4480 6.4489 6.4489
6.9767 6.9767 6.9805 6.9805 7.7628 7.7628 7.7710 7.7710
8.2401 8.2401 8.2553 8.2553 9.8257 9.8257 9.8300 9.8300
11.4158 11.4158 11.4176 11.4176 12.0654 12.0654 12.0663 12.0663
12.4887 12.4887 12.4914 12.4914
k = 0.0750 0.5000 0.0750 ( 6128 PWs) bands (ev):
-4.5452 -4.5452 -4.5451 -4.5451 -2.3495 -2.3495 -2.3493 -2.3493
-0.7227 -0.7227 -0.7223 -0.7223 0.0683 0.0683 0.0697 0.0697
1.3148 1.3148 1.3155 1.3155 2.4134 2.4134 2.4174 2.4174
4.1216 4.1216 4.1242 4.1242 4.6021 4.6021 4.6060 4.6060
5.0577 5.0577 5.0588 5.0588 6.4208 6.4208 6.4213 6.4213
6.9355 6.9355 6.9386 6.9386 7.8075 7.8075 7.8163 7.8163
8.2276 8.2276 8.2425 8.2425 9.9019 9.9019 9.9058 9.9058
11.3827 11.3827 11.3842 11.3842 12.0780 12.0780 12.0788 12.0788
12.6203 12.6203 12.6234 12.6234
k = 0.0625 0.5000 0.0625 ( 6140 PWs) bands (ev):
-4.5585 -4.5585 -4.5584 -4.5584 -2.3282 -2.3282 -2.3280 -2.3280
-0.6740 -0.6740 -0.6736 -0.6736 0.0479 0.0479 0.0492 0.0492
1.2559 1.2559 1.2565 1.2565 2.4512 2.4512 2.4548 2.4548
4.1071 4.1071 4.1094 4.1094 4.5914 4.5914 4.5949 4.5949
5.0418 5.0418 5.0428 5.0428 6.3870 6.3870 6.3872 6.3872
6.9086 6.9086 6.9110 6.9110 7.8515 7.8515 7.8608 7.8608
8.2104 8.2104 8.2247 8.2247 9.9700 9.9700 9.9734 9.9734
11.3522 11.3522 11.3535 11.3535 12.0906 12.0906 12.0913 12.0913
12.7537 12.7537 12.7576 12.7576
k = 0.0500 0.5000 0.0500 ( 6142 PWs) bands (ev):
-4.5694 -4.5694 -4.5693 -4.5693 -2.3102 -2.3102 -2.3100 -2.3100
-0.6298 -0.6298 -0.6295 -0.6295 0.0268 0.0268 0.0280 0.0280
1.2060 1.2060 1.2065 1.2065 2.4859 2.4859 2.4889 2.4889
4.0950 4.0950 4.0970 4.0970 4.5833 4.5833 4.5863 4.5863
5.0282 5.0282 5.0291 5.0291 6.3513 6.3513 6.3514 6.3514
6.8925 6.8925 6.8942 6.8942 7.8945 7.8945 7.9043 7.9043
8.1890 8.1890 8.2027 8.2027 10.0284 10.0284 10.0312 10.0312
11.3258 11.3258 11.3269 11.3269 12.1027 12.1027 12.1032 12.1032
12.8862 12.8862 12.8913 12.8913
k = 0.0375 0.5000 0.0375 ( 6128 PWs) bands (ev):
-4.5779 -4.5779 -4.5778 -4.5778 -2.2959 -2.2959 -2.2957 -2.2957
-0.5919 -0.5919 -0.5916 -0.5916 0.0071 0.0071 0.0080 0.0080
1.1659 1.1659 1.1663 1.1663 2.5153 2.5153 2.5176 2.5176
4.0856 4.0856 4.0871 4.0871 4.5775 4.5775 4.5800 4.5800
5.0171 5.0171 5.0178 5.0178 6.3184 6.3184 6.3186 6.3186
6.8835 6.8835 6.8847 6.8847 7.9359 7.9359 7.9459 7.9459
8.1642 8.1642 8.1773 8.1773 10.0757 10.0757 10.0778 10.0778
11.3044 11.3044 11.3053 11.3053 12.1136 12.1136 12.1139 12.1139
13.0136 13.0136 13.0209 13.0209
k = 0.0250 0.5000 0.0250 ( 6134 PWs) bands (ev):
-4.5839 -4.5839 -4.5838 -4.5838 -2.2855 -2.2855 -2.2852 -2.2852
-0.5624 -0.5624 -0.5621 -0.5621 -0.0094 -0.0094 -0.0087 -0.0087
1.1366 1.1366 1.1369 1.1369 2.5378 2.5378 2.5394 2.5394
4.0788 4.0788 4.0799 4.0799 4.5738 4.5738 4.5756 4.5756
5.0088 5.0088 5.0094 5.0094 6.2924 6.2924 6.2926 6.2926
6.8790 6.8790 6.8798 6.8798 7.9748 7.9748 7.9847 7.9847
8.1374 8.1374 8.1494 8.1494 10.1105 10.1105 10.1120 10.1120
11.2887 11.2887 11.2893 11.2893 12.1222 12.1222 12.1225 12.1225
13.1260 13.1260 13.1386 13.1386
k = 0.0125 0.5000 0.0125 ( 6130 PWs) bands (ev):
-4.5876 -4.5876 -4.5875 -4.5875 -2.2791 -2.2791 -2.2789 -2.2789
-0.5434 -0.5434 -0.5432 -0.5432 -0.0204 -0.0204 -0.0200 -0.0200
1.1187 1.1187 1.1189 1.1189 2.5520 2.5520 2.5528 2.5528
4.0748 4.0748 4.0753 4.0753 4.5720 4.5720 4.5729 4.5729
5.0038 5.0038 5.0041 5.0041 6.2758 6.2758 6.2759 6.2759
6.8770 6.8770 6.8774 6.8774 8.0090 8.0090 8.0172 8.0172
8.1124 8.1124 8.1215 8.1215 10.1320 10.1320 10.1328 10.1328
11.2792 11.2792 11.2795 11.2795 12.1278 12.1278 12.1279 12.1279
13.1904 13.1904 13.2008 13.2008
k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev):
-4.5888 -4.5888 -4.5887 -4.5887 -2.2770 -2.2770 -2.2768 -2.2768
-0.5368 -0.5368 -0.5367 -0.5367 -0.0242 -0.0242 -0.0241 -0.0241
1.1127 1.1127 1.1128 1.1128 2.5570 2.5570 2.5571 2.5571
4.0736 4.0736 4.0736 4.0736 4.5717 4.5717 4.5717 4.5717
5.0022 5.0022 5.0022 5.0022 6.2701 6.2701 6.2702 6.2702
6.8766 6.8766 6.8767 6.8767 8.0292 8.0292 8.0293 8.0293
8.1031 8.1031 8.1031 8.1031 10.1395 10.1395 10.1396 10.1396
11.2761 11.2761 11.2761 11.2761 12.1298 12.1298 12.1298 12.1298
13.2030 13.2030 13.2031 13.2031
k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev):
-3.6612 -3.6612 -3.6611 -3.6611 -3.6610 -3.6610 -3.6608 -3.6608
-0.4844 -0.4844 -0.4844 -0.4844 -0.4837 -0.4837 -0.4836 -0.4836
2.0587 2.0587 2.0588 2.0588 2.0630 2.0630 2.0631 2.0631
4.9841 4.9841 4.9842 4.9842 4.9877 4.9877 4.9877 4.9877
5.9620 5.9620 5.9620 5.9620 5.9621 5.9621 5.9621 5.9621
7.5461 7.5461 7.5462 7.5462 7.5599 7.5599 7.5600 7.5600
8.3905 8.3905 8.3905 8.3905 8.4011 8.4011 8.4011 8.4011
11.1656 11.1656 11.1657 11.1657 11.1666 11.1666 11.1666 11.1666
12.3884 12.3884 12.3884 12.3884
k = 0.5000 0.5000 0.0179 ( 6152 PWs) bands (ev):
-3.6601 -3.6601 -3.6600 -3.6600 -3.6600 -3.6600 -3.6597 -3.6597
-0.4904 -0.4904 -0.4903 -0.4903 -0.4896 -0.4896 -0.4896 -0.4896
2.0663 2.0663 2.0665 2.0665 2.0706 2.0706 2.0707 2.0707
4.9854 4.9854 4.9854 4.9854 4.9888 4.9888 4.9890 4.9890
5.9624 5.9624 5.9626 5.9626 5.9627 5.9627 5.9628 5.9628
7.5386 7.5386 7.5401 7.5401 7.5522 7.5522 7.5537 7.5537
8.3908 8.3908 8.3940 8.3940 8.4021 8.4021 8.4034 8.4034
11.1623 11.1623 11.1632 11.1632 11.1633 11.1633 11.1642 11.1642
12.3939 12.3939 12.3942 12.3942
k = 0.5000 0.5000 0.0357 ( 6152 PWs) bands (ev):
-3.6569 -3.6569 -3.6569 -3.6569 -3.6568 -3.6568 -3.6566 -3.6566
-0.5080 -0.5080 -0.5079 -0.5079 -0.5073 -0.5073 -0.5072 -0.5072
2.0888 2.0888 2.0892 2.0892 2.0932 2.0932 2.0934 2.0934
4.9892 4.9892 4.9892 4.9892 4.9925 4.9925 4.9929 4.9929
5.9641 5.9641 5.9644 5.9644 5.9646 5.9646 5.9649 5.9649
7.5179 7.5179 7.5208 7.5208 7.5311 7.5311 7.5339 7.5339
8.3945 8.3945 8.4007 8.4007 8.4063 8.4063 8.4086 8.4086
11.1532 11.1532 11.1541 11.1541 11.1552 11.1552 11.1561 11.1561
12.4104 12.4104 12.4110 12.4110
k = 0.5000 0.5000 0.0536 ( 6140 PWs) bands (ev):
-3.6517 -3.6517 -3.6516 -3.6516 -3.6515 -3.6515 -3.6513 -3.6513
-0.5367 -0.5367 -0.5366 -0.5366 -0.5360 -0.5360 -0.5359 -0.5359
2.1257 2.1257 2.1263 2.1263 2.1301 2.1301 2.1304 2.1304
4.9955 4.9955 4.9955 4.9955 4.9987 4.9987 4.9993 4.9993
5.9670 5.9670 5.9674 5.9674 5.9677 5.9677 5.9681 5.9681
7.4854 7.4854 7.4896 7.4896 7.4980 7.4980 7.5019 7.5019
8.4004 8.4004 8.4093 8.4093 8.4123 8.4123 8.4155 8.4155
11.1386 11.1386 11.1394 11.1394 11.1415 11.1415 11.1423 11.1423
12.4364 12.4364 12.4373 12.4373
k = 0.5000 0.5000 0.0714 ( 6132 PWs) bands (ev):
-3.6443 -3.6443 -3.6443 -3.6443 -3.6442 -3.6442 -3.6440 -3.6440
-0.5753 -0.5753 -0.5752 -0.5752 -0.5747 -0.5747 -0.5746 -0.5746
2.1759 2.1759 2.1767 2.1767 2.1803 2.1803 2.1807 2.1807
5.0042 5.0042 5.0043 5.0043 5.0073 5.0073 5.0082 5.0082
5.9711 5.9711 5.9715 5.9715 5.9720 5.9720 5.9726 5.9726
7.4428 7.4428 7.4480 7.4480 7.4547 7.4547 7.4594 7.4594
8.4069 8.4069 8.4181 8.4181 8.4186 8.4186 8.4226 8.4226
11.1185 11.1185 11.1192 11.1192 11.1220 11.1220 11.1227 11.1227
12.4698 12.4698 12.4710 12.4710
k = 0.5000 0.5000 0.0893 ( 6140 PWs) bands (ev):
-3.6349 -3.6349 -3.6349 -3.6349 -3.6348 -3.6348 -3.6346 -3.6346
-0.6227 -0.6227 -0.6226 -0.6226 -0.6222 -0.6222 -0.6221 -0.6221
2.2381 2.2381 2.2390 2.2390 2.2425 2.2425 2.2430 2.2430
5.0153 5.0153 5.0154 5.0154 5.0184 5.0184 5.0195 5.0195
5.9763 5.9763 5.9768 5.9768 5.9774 5.9774 5.9782 5.9782
7.3917 7.3917 7.3979 7.3979 7.4030 7.4030 7.4082 7.4082
8.4121 8.4121 8.4236 8.4236 8.4253 8.4253 8.4281 8.4281
11.0924 11.0924 11.0931 11.0931 11.0964 11.0964 11.0971 11.0971
12.5077 12.5077 12.5090 12.5090
k = 0.5000 0.5000 0.1071 ( 6140 PWs) bands (ev):
-3.6235 -3.6235 -3.6235 -3.6235 -3.6234 -3.6234 -3.6232 -3.6232
-0.6776 -0.6776 -0.6775 -0.6775 -0.6771 -0.6771 -0.6770 -0.6770
2.3109 2.3109 2.3120 2.3120 2.3153 2.3153 2.3159 2.3159
5.0288 5.0288 5.0290 5.0290 5.0319 5.0319 5.0332 5.0332
5.9827 5.9827 5.9831 5.9831 5.9839 5.9839 5.9850 5.9850
7.3341 7.3341 7.3410 7.3410 7.3447 7.3447 7.3503 7.3503
8.4145 8.4145 8.4258 8.4258 8.4295 8.4295 8.4306 8.4306
11.0596 11.0596 11.0604 11.0604 11.0640 11.0640 11.0647 11.0647
12.5462 12.5462 12.5478 12.5478
k = 0.5000 0.5000 0.1250 ( 6132 PWs) bands (ev):
-3.6101 -3.6101 -3.6101 -3.6101 -3.6100 -3.6100 -3.6097 -3.6097
-0.7386 -0.7386 -0.7385 -0.7385 -0.7382 -0.7382 -0.7380 -0.7380
2.3929 2.3929 2.3942 2.3942 2.3974 2.3974 2.3980 2.3980
5.0446 5.0446 5.0448 5.0448 5.0476 5.0476 5.0492 5.0492
5.9901 5.9901 5.9904 5.9904 5.9914 5.9914 5.9927 5.9927
7.2715 7.2715 7.2791 7.2791 7.2816 7.2816 7.2874 7.2874
8.4129 8.4129 8.4239 8.4239 8.4289 8.4289 8.4294 8.4294
11.0189 11.0189 11.0198 11.0198 11.0234 11.0234 11.0241 11.0241
12.5816 12.5818 12.5826 12.5831
k = 0.5000 0.5000 0.1429 ( 6116 PWs) bands (ev):
-3.5948 -3.5948 -3.5947 -3.5947 -3.5946 -3.5946 -3.5944 -3.5944
-0.8045 -0.8045 -0.8044 -0.8044 -0.8041 -0.8041 -0.8040 -0.8040
2.4827 2.4827 2.4842 2.4842 2.4873 2.4873 2.4880 2.4880
5.0625 5.0625 5.0628 5.0628 5.0655 5.0655 5.0673 5.0673
5.9984 5.9984 5.9987 5.9987 5.9999 5.9999 6.0014 6.0014
7.2053 7.2053 7.2134 7.2134 7.2149 7.2149 7.2208 7.2208
8.4064 8.4064 8.4171 8.4171 8.4221 8.4221 8.4241 8.4241
10.9686 10.9686 10.9698 10.9698 10.9731 10.9731 10.9739 10.9739
12.6102 12.6103 12.6108 12.6120
k = 0.5000 0.5000 0.1607 ( 6104 PWs) bands (ev):
-3.5775 -3.5775 -3.5775 -3.5775 -3.5774 -3.5774 -3.5771 -3.5771
-0.8742 -0.8742 -0.8740 -0.8740 -0.8738 -0.8738 -0.8737 -0.8737
2.5792 2.5792 2.5809 2.5809 2.5838 2.5838 2.5845 2.5845
5.0823 5.0823 5.0828 5.0828 5.0853 5.0853 5.0875 5.0875
6.0076 6.0076 6.0077 6.0077 6.0091 6.0091 6.0110 6.0110
7.1367 7.1367 7.1453 7.1453 7.1460 7.1460 7.1519 7.1519
8.3944 8.3944 8.4048 8.4048 8.4098 8.4098 8.4131 8.4131
10.9074 10.9074 10.9090 10.9090 10.9118 10.9118 10.9126 10.9126
12.6312 12.6312 12.6332 12.6332
k = 0.5000 0.5000 0.1786 ( 6104 PWs) bands (ev):
-3.5585 -3.5585 -3.5584 -3.5584 -3.5583 -3.5583 -3.5581 -3.5581
-0.9466 -0.9466 -0.9464 -0.9464 -0.9463 -0.9463 -0.9462 -0.9462
2.6811 2.6811 2.6831 2.6831 2.6858 2.6858 2.6866 2.6866
5.1040 5.1040 5.1046 5.1046 5.1070 5.1070 5.1095 5.1095
6.0174 6.0174 6.0176 6.0176 6.0191 6.0191 6.0213 6.0213
7.0668 7.0668 7.0759 7.0759 7.0760 7.0760 7.0817 7.0817
8.3767 8.3767 8.3868 8.3868 8.3916 8.3916 8.3962 8.3962
10.8343 10.8343 10.8363 10.8363 10.8383 10.8383 10.8393 10.8393
12.6489 12.6489 12.6520 12.6520
k = 0.5000 0.5000 0.1964 ( 6112 PWs) bands (ev):
-3.5377 -3.5377 -3.5376 -3.5376 -3.5375 -3.5375 -3.5373 -3.5373
-1.0208 -1.0208 -1.0207 -1.0207 -1.0206 -1.0206 -1.0204 -1.0204
2.7874 2.7874 2.7896 2.7896 2.7922 2.7922 2.7931 2.7931
5.1271 5.1271 5.1279 5.1279 5.1302 5.1302 5.1329 5.1329
6.0276 6.0276 6.0282 6.0282 6.0297 6.0297 6.0321 6.0321
6.9968 6.9968 7.0058 7.0058 7.0064 7.0064 7.0115 7.0115
8.3532 8.3532 8.3631 8.3631 8.3676 8.3676 8.3734 8.3734
10.7491 10.7491 10.7516 10.7516 10.7527 10.7527 10.7539 10.7539
12.6691 12.6691 12.6720 12.6720
k = 0.5000 0.5000 0.2143 ( 6124 PWs) bands (ev):
-3.5153 -3.5153 -3.5152 -3.5152 -3.5151 -3.5151 -3.5149 -3.5149
-1.0961 -1.0961 -1.0959 -1.0959 -1.0958 -1.0958 -1.0957 -1.0957
2.8971 2.8971 2.8996 2.8996 2.9020 2.9020 2.9029 2.9029
5.1513 5.1513 5.1525 5.1525 5.1545 5.1545 5.1576 5.1576
6.0381 6.0381 6.0393 6.0393 6.0406 6.0406 6.0434 6.0434
6.9276 6.9276 6.9365 6.9365 6.9376 6.9376 6.9421 6.9421
8.3241 8.3241 8.3337 8.3337 8.3380 8.3380 8.3449 8.3449
10.6527 10.6527 10.6556 10.6556 10.6559 10.6559 10.6573 10.6573
12.6972 12.6972 12.6995 12.6995
k = 0.5000 0.5000 0.2321 ( 6128 PWs) bands (ev):
-3.4914 -3.4914 -3.4913 -3.4913 -3.4912 -3.4912 -3.4910 -3.4910
-1.1716 -1.1716 -1.1715 -1.1715 -1.1714 -1.1714 -1.1713 -1.1713
3.0094 3.0094 3.0121 3.0121 3.0144 3.0144 3.0154 3.0154
5.1762 5.1762 5.1777 5.1777 5.1796 5.1796 5.1830 5.1830
6.0487 6.0487 6.0507 6.0507 6.0516 6.0516 6.0548 6.0548
6.8603 6.8603 6.8691 6.8691 6.8706 6.8706 6.8747 6.8747
8.2897 8.2897 8.2991 8.2991 8.3030 8.3030 8.3109 8.3109
10.5470 10.5470 10.5496 10.5496 10.5503 10.5503 10.5512 10.5512
12.7366 12.7366 12.7382 12.7382
k = 0.5000 0.5000 0.2500 ( 6112 PWs) bands (ev):
-3.4661 -3.4661 -3.4661 -3.4661 -3.4659 -3.4659 -3.4657 -3.4657
-1.2468 -1.2468 -1.2467 -1.2467 -1.2466 -1.2466 -1.2465 -1.2465
3.1232 3.1232 3.1263 3.1263 3.1284 3.1284 3.1294 3.1294
5.2011 5.2011 5.2031 5.2031 5.2047 5.2047 5.2085 5.2085
6.0592 6.0592 6.0621 6.0621 6.0626 6.0626 6.0661 6.0661
6.7959 6.7959 6.8048 6.8048 6.8065 6.8065 6.8103 6.8103
8.2503 8.2503 8.2594 8.2594 8.2630 8.2630 8.2719 8.2719
10.4342 10.4342 10.4364 10.4364 10.4378 10.4378 10.4381 10.4381
12.7887 12.7887 12.7897 12.7897
k = 0.5000 0.5000 0.2679 ( 6112 PWs) bands (ev):
-3.4396 -3.4396 -3.4396 -3.4396 -3.4395 -3.4395 -3.4392 -3.4392
-1.3211 -1.3211 -1.3210 -1.3210 -1.3209 -1.3209 -1.3208 -1.3208
3.2379 3.2379 3.2413 3.2413 3.2432 3.2432 3.2443 3.2443
5.2253 5.2253 5.2279 5.2279 5.2293 5.2293 5.2334 5.2334
6.0692 6.0692 6.0732 6.0732 6.0735 6.0735 6.0770 6.0770
6.7358 6.7358 6.7448 6.7448 6.7464 6.7464 6.7503 6.7503
8.2063 8.2063 8.2151 8.2151 8.2183 8.2183 8.2282 8.2282
10.3169 10.3169 10.3188 10.3188 10.3206 10.3206 10.3208 10.3208
12.8535 12.8535 12.8540 12.8540
k = 0.5000 0.5000 0.2857 ( 6108 PWs) bands (ev):
-3.4122 -3.4122 -3.4122 -3.4122 -3.4121 -3.4121 -3.4118 -3.4118
-1.3938 -1.3938 -1.3937 -1.3937 -1.3937 -1.3937 -1.3936 -1.3936
3.3526 3.3526 3.3564 3.3564 3.3582 3.3582 3.3593 3.3593
5.2478 5.2478 5.2511 5.2511 5.2522 5.2522 5.2567 5.2567
6.0785 6.0785 6.0831 6.0831 6.0845 6.0845 6.0872 6.0872
6.6812 6.6812 6.6903 6.6903 6.6916 6.6916 6.6958 6.6958
8.1583 8.1583 8.1666 8.1666 8.1695 8.1695 8.1804 8.1804
10.1979 10.1979 10.1994 10.1994 10.2013 10.2013 10.2020 10.2020
12.9302 12.9302 12.9303 12.9303
k = 0.5000 0.5000 0.3036 ( 6076 PWs) bands (ev):
-3.3841 -3.3841 -3.3840 -3.3840 -3.3839 -3.3839 -3.3836 -3.3836
-1.4645 -1.4645 -1.4644 -1.4644 -1.4644 -1.4644 -1.4643 -1.4643
3.4665 3.4665 3.4707 3.4707 3.4723 3.4723 3.4735 3.4735
5.2674 5.2674 5.2717 5.2717 5.2724 5.2724 5.2772 5.2772
6.0869 6.0869 6.0920 6.0920 6.0949 6.0949 6.0964 6.0964
6.6336 6.6336 6.6428 6.6428 6.6436 6.6436 6.6482 6.6482
8.1066 8.1066 8.1144 8.1144 8.1170 8.1170 8.1288 8.1288
10.0797 10.0797 10.0809 10.0809 10.0828 10.0828 10.0839 10.0839
13.0174 13.0174 13.0176 13.0176
k = 0.5000 0.5000 0.3214 ( 6084 PWs) bands (ev):
-3.3555 -3.3555 -3.3555 -3.3555 -3.3554 -3.3554 -3.3551 -3.3551
-1.5326 -1.5326 -1.5325 -1.5325 -1.5325 -1.5325 -1.5324 -1.5324
3.5788 3.5788 3.5834 3.5834 3.5848 3.5848 3.5860 3.5860
5.2830 5.2830 5.2883 5.2883 5.2887 5.2887 5.2937 5.2937
6.0942 6.0942 6.0998 6.0998 6.1042 6.1042 6.1047 6.1047
6.5945 6.5945 6.6034 6.6034 6.6036 6.6036 6.6089 6.6089
8.0517 8.0517 8.0590 8.0590 8.0612 8.0612 8.0740 8.0740
9.9645 9.9645 9.9654 9.9654 9.9673 9.9673 9.9687 9.9687
13.1141 13.1141 13.1143 13.1143
k = 0.5000 0.5000 0.3393 ( 6092 PWs) bands (ev):
-3.3269 -3.3269 -3.3269 -3.3269 -3.3268 -3.3268 -3.3265 -3.3265
-1.5975 -1.5975 -1.5974 -1.5974 -1.5974 -1.5974 -1.5973 -1.5973
3.6885 3.6885 3.6936 3.6936 3.6948 3.6948 3.6960 3.6960
5.2931 5.2931 5.2996 5.2996 5.2997 5.2997 5.3047 5.3047
6.1005 6.1005 6.1064 6.1064 6.1106 6.1106 6.1137 6.1137
6.5652 6.5652 6.5725 6.5725 6.5738 6.5738 6.5790 6.5790
7.9942 7.9942 8.0009 8.0009 8.0028 8.0028 8.0166 8.0166
9.8545 9.8545 9.8552 9.8552 9.8570 9.8570 9.8588 9.8588
13.2189 13.2189 13.2191 13.2191
k = 0.5000 0.5000 0.3571 ( 6092 PWs) bands (ev):
-3.2987 -3.2987 -3.2987 -3.2987 -3.2985 -3.2985 -3.2982 -3.2982
-1.6586 -1.6586 -1.6585 -1.6585 -1.6585 -1.6585 -1.6584 -1.6584
3.7946 3.7946 3.8004 3.8004 3.8013 3.8013 3.8025 3.8025
5.2967 5.2967 5.3043 5.3043 5.3046 5.3046 5.3092 5.3092
6.1061 6.1061 6.1119 6.1119 6.1157 6.1157 6.1220 6.1220
6.5462 6.5462 6.5513 6.5513 6.5542 6.5542 6.5589 6.5589
7.9350 7.9350 7.9409 7.9409 7.9425 7.9425 7.9573 7.9573
9.7516 9.7516 9.7521 9.7521 9.7537 9.7537 9.7559 9.7559
13.3306 13.3306 13.3307 13.3307
k = 0.5000 0.5000 0.3750 ( 6108 PWs) bands (ev):
-3.2714 -3.2714 -3.2713 -3.2713 -3.2712 -3.2712 -3.2709 -3.2709
-1.7152 -1.7152 -1.7152 -1.7152 -1.7151 -1.7151 -1.7151 -1.7151
3.8961 3.8961 3.9025 3.9025 3.9032 3.9032 3.9044 3.9044
5.2931 5.2931 5.3017 5.3017 5.3022 5.3022 5.3063 5.3063
6.1115 6.1115 6.1169 6.1169 6.1201 6.1201 6.1299 6.1299
6.5375 6.5375 6.5402 6.5402 6.5446 6.5446 6.5487 6.5487
7.8749 7.8749 7.8800 7.8800 7.8813 7.8813 7.8972 7.8972
9.6574 9.6574 9.6578 9.6578 9.6591 9.6591 9.6617 9.6617
13.4475 13.4475 13.4480 13.4480
k = 0.5000 0.5000 0.3929 ( 6100 PWs) bands (ev):
-3.2455 -3.2455 -3.2455 -3.2455 -3.2453 -3.2453 -3.2450 -3.2450
-1.7667 -1.7667 -1.7667 -1.7667 -1.7666 -1.7666 -1.7666 -1.7666
3.9916 3.9916 3.9987 3.9987 3.9992 3.9992 4.0003 4.0003
5.2824 5.2824 5.2919 5.2919 5.2927 5.2927 5.2960 5.2960
6.1171 6.1171 6.1217 6.1217 6.1242 6.1242 6.1375 6.1375
6.5381 6.5381 6.5383 6.5383 6.5441 6.5441 6.5475 6.5475
7.8153 7.8153 7.8195 7.8195 7.8205 7.8205 7.8376 7.8376
9.5734 9.5734 9.5736 9.5736 9.5747 9.5747 9.5776 9.5776
13.5685 13.5685 13.5696 13.5696
k = 0.5000 0.5000 0.4107 ( 6096 PWs) bands (ev):
-3.2218 -3.2218 -3.2218 -3.2218 -3.2216 -3.2216 -3.2213 -3.2213
-1.8122 -1.8122 -1.8122 -1.8122 -1.8122 -1.8122 -1.8121 -1.8121
4.0795 4.0795 4.0873 4.0873 4.0876 4.0876 4.0886 4.0886
5.2655 5.2655 5.2760 5.2760 5.2768 5.2768 5.2794 5.2794
6.1230 6.1230 6.1266 6.1266 6.1284 6.1284 6.1448 6.1448
6.5441 6.5441 6.5464 6.5464 6.5511 6.5511 6.5536 6.5536
7.7578 7.7578 7.7611 7.7611 7.7619 7.7619 7.7801 7.7801
9.5006 9.5006 9.5007 9.5007 9.5016 9.5016 9.5048 9.5048
13.6920 13.6920 13.6940 13.6940
k = 0.5000 0.5000 0.4286 ( 6088 PWs) bands (ev):
-3.2009 -3.2009 -3.2009 -3.2009 -3.2007 -3.2007 -3.2004 -3.2004
-1.8511 -1.8511 -1.8511 -1.8511 -1.8510 -1.8510 -1.8510 -1.8510
4.1576 4.1576 4.1662 4.1662 4.1665 4.1665 4.1672 4.1672
5.2443 5.2443 5.2558 5.2558 5.2565 5.2565 5.2583 5.2583
6.1290 6.1290 6.1315 6.1315 6.1327 6.1327 6.1516 6.1516
6.5555 6.5555 6.5598 6.5598 6.5631 6.5631 6.5648 6.5648
7.7047 7.7047 7.7070 7.7070 7.7076 7.7076 7.7269 7.7269
9.4400 9.4400 9.4401 9.4401 9.4406 9.4406 9.4441 9.4441
13.8161 13.8161 13.8193 13.8194
k = 0.5000 0.5000 0.4464 ( 6088 PWs) bands (ev):
-3.1837 -3.1837 -3.1837 -3.1837 -3.1835 -3.1835 -3.1831 -3.1831
-1.8824 -1.8824 -1.8824 -1.8824 -1.8823 -1.8823 -1.8823 -1.8823
4.2236 4.2236 4.2330 4.2330 4.2331 4.2331 4.2336 4.2336
5.2218 5.2218 5.2342 5.2342 5.2347 5.2347 5.2358 5.2358
6.1346 6.1346 6.1361 6.1361 6.1367 6.1367 6.1576 6.1576
6.5696 6.5696 6.5754 6.5754 6.5775 6.5775 6.5784 6.5784
7.6587 7.6587 7.6601 7.6601 7.6604 7.6604 7.6809 7.6809
9.3922 9.3922 9.3923 9.3923 9.3926 9.3926 9.3963 9.3963
13.9376 13.9376 13.9427 13.9428
k = 0.5000 0.5000 0.4643 ( 6088 PWs) bands (ev):
-3.1707 -3.1707 -3.1707 -3.1707 -3.1705 -3.1705 -3.1702 -3.1702
-1.9054 -1.9054 -1.9054 -1.9054 -1.9053 -1.9053 -1.9053 -1.9053
4.2742 4.2742 4.2843 4.2843 4.2844 4.2844 4.2847 4.2847
5.2015 5.2015 5.2146 5.2146 5.2149 5.2149 5.2155 5.2155
6.1391 6.1391 6.1398 6.1398 6.1401 6.1401 6.1621 6.1621
6.5830 6.5830 6.5900 6.5900 6.5910 6.5910 6.5914 6.5914
7.6226 7.6226 7.6233 7.6233 7.6235 7.6235 7.6448 7.6448
9.3578 9.3578 9.3579 9.3579 9.3580 9.3580 9.3619 9.3619
14.0504 14.0504 14.0584 14.0587
k = 0.5000 0.5000 0.4821 ( 6104 PWs) bands (ev):
-3.1627 -3.1627 -3.1627 -3.1627 -3.1625 -3.1625 -3.1621 -3.1621
-1.9194 -1.9194 -1.9194 -1.9194 -1.9194 -1.9194 -1.9193 -1.9193
4.3064 4.3064 4.3170 4.3170 4.3170 4.3170 4.3171 4.3171
5.1873 5.1873 5.2009 5.2009 5.2010 5.2010 5.2012 5.2012
6.1421 6.1421 6.1422 6.1422 6.1423 6.1423 6.1651 6.1651
6.5927 6.5927 6.6003 6.6003 6.6006 6.6006 6.6007 6.6007
7.5995 7.5995 7.5997 7.5997 7.5998 7.5998 7.6217 7.6217
9.3370 9.3370 9.3371 9.3371 9.3371 9.3371 9.3411 9.3411
14.1405 14.1405 14.1528 14.1533
k = 0.5000 0.5000 0.5000 ( 6152 PWs) bands (ev):
-3.1600 -3.1600 -3.1600 -3.1600 -3.1598 -3.1598 -3.1594 -3.1594
-1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9242 -1.9241 -1.9241
4.3175 4.3175 4.3282 4.3282 4.3283 4.3283 4.3284 4.3284
5.1821 5.1821 5.1959 5.1959 5.1959 5.1959 5.1961 5.1961
6.1430 6.1430 6.1431 6.1431 6.1431 6.1431 6.1660 6.1660
6.5963 6.5963 6.6040 6.6040 6.6040 6.6040 6.6041 6.6041
7.5914 7.5914 7.5915 7.5915 7.5916 7.5916 7.6138 7.6138
9.3301 9.3301 9.3301 9.3301 9.3302 9.3302 9.3342 9.3342
14.1783 14.1783 14.1933 14.1933
Writing output data file SiP2.save
init_run : 0.24s CPU 0.36s WALL ( 1 calls)
electrons : 342.98s CPU 346.77s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.01s CPU 0.04s WALL ( 1 calls)
Called by electrons:
c_bands : 342.98s CPU 346.76s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.00s WALL ( 1 calls)
newd : 0.12s CPU 0.14s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.12s CPU 0.14s WALL ( 218 calls)
cegterg : 319.13s CPU 322.28s WALL ( 617 calls)
Called by sum_band:
Called by *egterg:
h_psi : 168.28s CPU 170.19s WALL ( 11332 calls)
s_psi : 24.52s CPU 24.61s WALL ( 11332 calls)
g_psi : 0.43s CPU 0.40s WALL ( 10497 calls)
cdiaghg : 107.06s CPU 108.38s WALL ( 10715 calls)
cegterg:over : 12.70s CPU 12.71s WALL ( 10497 calls)
cegterg:upda : 13.22s CPU 13.21s WALL ( 10497 calls)
cegterg:last : 5.07s CPU 5.05s WALL ( 1237 calls)
cdiaghg:chol : 6.30s CPU 6.27s WALL ( 10715 calls)
cdiaghg:inve : 4.47s CPU 4.41s WALL ( 10715 calls)
cdiaghg:para : 7.28s CPU 7.25s WALL ( 21430 calls)
Called by h_psi:
h_psi:vloc : 117.45s CPU 119.22s WALL ( 11332 calls)
h_psi:vnl : 50.42s CPU 50.49s WALL ( 11332 calls)
add_vuspsi : 27.81s CPU 27.72s WALL ( 11332 calls)
General routines
calbec : 22.58s CPU 22.73s WALL ( 11332 calls)
fft : 0.00s CPU 0.00s WALL ( 15 calls)
fftw : 112.04s CPU 113.64s WALL ( 973660 calls)
davcio : 0.15s CPU 0.31s WALL ( 436 calls)
Parallel routines
fft_scatter : 41.52s CPU 42.42s WALL ( 973675 calls)
PWSCF : 5m59.94s CPU 6m16.41s WALL
This run was terminated on: 21: 9:23 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=