Program PWSCF v.5.1.1 starts on 5Dec2015 at 4:23:23
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 48 processors
R & G space division: proc/nbgrp/npool/nimage = 48
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./Si2N2O.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 47 27 7 1677 733 111
Max 48 28 8 1682 750 118
Sum 2289 1315 383 80605 35615 5595
bravais-lattice index = 14
lattice parameter (alat) = 9.9553 a.u.
unit-cell volume = 818.8909 (a.u.)^3
number of atoms/cell = 10
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.955315 celldm(2)= 1.000000 celldm(3)= 0.928205
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447740
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.447740 0.894164 0.000000 )
a(3) = ( 0.000000 0.000000 0.928205 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.500735 -0.000000 )
b(2) = ( 0.000000 1.118363 -0.000000 )
b(3) = ( 0.000000 0.000000 1.077348 )
PseudoPot. # 1 for O read from file:
/home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1095 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Si read from file:
/home/autes/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. # 3 for N read from file:
/home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
Si 4.00 28.08550 Si( 1.00)
N 5.00 14.00670 N( 1.00)
2 Sym. Ops. (no inversion) found ( 1 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.4641024 )
double point group C_2 (2)
there are 4 classes and 2 irreducible representations
the character table:
E -E C2 -C2
G_3 1.00 -1.00 0.00 0.00
G_4 1.00 -1.00 0.00 0.00
imaginary part
E -E C2 -C2
G_3 0.00 0.00 1.00 -1.00
G_4 0.00 0.00 -1.00 1.00
the symmetry operations in each class:
E 1
C2 2
-E -1
-C2 -2
Cartesian axes
number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 2) = ( 0.0086342 0.0139795 -0.0000000), wk = 0.0026738
k( 3) = ( 0.0172683 0.0279591 -0.0000000), wk = 0.0026738
k( 4) = ( 0.0259025 0.0419386 -0.0000000), wk = 0.0026738
k( 5) = ( 0.0345366 0.0559182 -0.0000000), wk = 0.0026738
k( 6) = ( 0.0431708 0.0698977 -0.0000000), wk = 0.0026738
k( 7) = ( 0.0518049 0.0838772 -0.0000000), wk = 0.0026738
k( 8) = ( 0.0604391 0.0978568 -0.0000000), wk = 0.0026738
k( 9) = ( 0.0690732 0.1118363 -0.0000000), wk = 0.0026738
k( 10) = ( 0.0777073 0.1258158 -0.0000000), wk = 0.0026738
k( 11) = ( 0.0863415 0.1397954 -0.0000000), wk = 0.0026738
k( 12) = ( 0.0949756 0.1537749 -0.0000000), wk = 0.0026738
k( 13) = ( 0.1036098 0.1677545 -0.0000000), wk = 0.0026738
k( 14) = ( 0.1122439 0.1817340 -0.0000000), wk = 0.0026738
k( 15) = ( 0.1208781 0.1957135 -0.0000000), wk = 0.0026738
k( 16) = ( 0.1295122 0.2096931 -0.0000000), wk = 0.0026738
k( 17) = ( 0.1381464 0.2236726 -0.0000000), wk = 0.0026738
k( 18) = ( 0.1467806 0.2376521 -0.0000000), wk = 0.0026738
k( 19) = ( 0.1554147 0.2516317 -0.0000000), wk = 0.0026738
k( 20) = ( 0.1640488 0.2656112 -0.0000000), wk = 0.0026738
k( 21) = ( 0.1726830 0.2795908 -0.0000000), wk = 0.0026738
k( 22) = ( 0.1813172 0.2935703 -0.0000000), wk = 0.0026738
k( 23) = ( 0.1899513 0.3075498 -0.0000000), wk = 0.0026738
k( 24) = ( 0.1985854 0.3215294 -0.0000000), wk = 0.0026738
k( 25) = ( 0.2072196 0.3355089 -0.0000000), wk = 0.0026738
k( 26) = ( 0.2158538 0.3494885 -0.0000000), wk = 0.0026738
k( 27) = ( 0.2244879 0.3634680 -0.0000000), wk = 0.0026738
k( 28) = ( 0.2331220 0.3774475 -0.0000000), wk = 0.0026738
k( 29) = ( 0.2417562 0.3914271 -0.0000000), wk = 0.0026738
k( 30) = ( 0.2503903 0.4054066 -0.0000000), wk = 0.0026738
k( 31) = ( 0.2590245 0.4193861 -0.0000000), wk = 0.0026738
k( 32) = ( 0.2676586 0.4333657 -0.0000000), wk = 0.0026738
k( 33) = ( 0.2762928 0.4473452 -0.0000000), wk = 0.0026738
k( 34) = ( 0.2849270 0.4613248 -0.0000000), wk = 0.0026738
k( 35) = ( 0.2935611 0.4753043 -0.0000000), wk = 0.0026738
k( 36) = ( 0.3021952 0.4892838 -0.0000000), wk = 0.0026738
k( 37) = ( 0.3108294 0.5032634 -0.0000000), wk = 0.0026738
k( 38) = ( 0.3194635 0.5172429 -0.0000000), wk = 0.0026738
k( 39) = ( 0.3280977 0.5312224 -0.0000000), wk = 0.0026738
k( 40) = ( 0.3367318 0.5452020 -0.0000000), wk = 0.0026738
k( 41) = ( 0.3453660 0.5591815 -0.0000000), wk = 0.0026738
k( 42) = ( 0.3453660 0.5591815 -0.0000000), wk = 0.0026738
k( 43) = ( 0.3289200 0.5591815 -0.0000000), wk = 0.0026738
k( 44) = ( 0.3124740 0.5591815 -0.0000000), wk = 0.0026738
k( 45) = ( 0.2960280 0.5591815 -0.0000000), wk = 0.0026738
k( 46) = ( 0.2795820 0.5591815 -0.0000000), wk = 0.0026738
k( 47) = ( 0.2631360 0.5591815 -0.0000000), wk = 0.0026738
k( 48) = ( 0.2466900 0.5591815 -0.0000000), wk = 0.0026738
k( 49) = ( 0.2302440 0.5591815 -0.0000000), wk = 0.0026738
k( 50) = ( 0.2137980 0.5591815 -0.0000000), wk = 0.0026738
k( 51) = ( 0.1973520 0.5591815 -0.0000000), wk = 0.0026738
k( 52) = ( 0.1809060 0.5591815 -0.0000000), wk = 0.0026738
k( 53) = ( 0.1644600 0.5591815 -0.0000000), wk = 0.0026738
k( 54) = ( 0.1480140 0.5591815 -0.0000000), wk = 0.0026738
k( 55) = ( 0.1315680 0.5591815 -0.0000000), wk = 0.0026738
k( 56) = ( 0.1151220 0.5591815 -0.0000000), wk = 0.0026738
k( 57) = ( 0.0986760 0.5591815 -0.0000000), wk = 0.0026738
k( 58) = ( 0.0822300 0.5591815 -0.0000000), wk = 0.0026738
k( 59) = ( 0.0657840 0.5591815 -0.0000000), wk = 0.0026738
k( 60) = ( 0.0493380 0.5591815 -0.0000000), wk = 0.0026738
k( 61) = ( 0.0328920 0.5591815 -0.0000000), wk = 0.0026738
k( 62) = ( 0.0164460 0.5591815 -0.0000000), wk = 0.0026738
k( 63) = ( 0.0000000 0.5591815 -0.0000000), wk = 0.0026738
k( 64) = ( 0.0000000 0.5591815 -0.0000000), wk = 0.0026738
k( 65) = ( 0.0000000 0.5591815 0.0163235), wk = 0.0026738
k( 66) = ( 0.0000000 0.5591815 0.0326469), wk = 0.0026738
k( 67) = ( 0.0000000 0.5591815 0.0489704), wk = 0.0026738
k( 68) = ( 0.0000000 0.5591815 0.0652938), wk = 0.0026738
k( 69) = ( 0.0000000 0.5591815 0.0816173), wk = 0.0026738
k( 70) = ( 0.0000000 0.5591815 0.0979408), wk = 0.0026738
k( 71) = ( 0.0000000 0.5591815 0.1142642), wk = 0.0026738
k( 72) = ( 0.0000000 0.5591815 0.1305877), wk = 0.0026738
k( 73) = ( 0.0000000 0.5591815 0.1469112), wk = 0.0026738
k( 74) = ( 0.0000000 0.5591815 0.1632346), wk = 0.0026738
k( 75) = ( 0.0000000 0.5591815 0.1795581), wk = 0.0026738
k( 76) = ( 0.0000000 0.5591815 0.1958815), wk = 0.0026738
k( 77) = ( 0.0000000 0.5591815 0.2122050), wk = 0.0026738
k( 78) = ( 0.0000000 0.5591815 0.2285285), wk = 0.0026738
k( 79) = ( 0.0000000 0.5591815 0.2448519), wk = 0.0026738
k( 80) = ( 0.0000000 0.5591815 0.2611754), wk = 0.0026738
k( 81) = ( 0.0000000 0.5591815 0.2774988), wk = 0.0026738
k( 82) = ( 0.0000000 0.5591815 0.2938223), wk = 0.0026738
k( 83) = ( 0.0000000 0.5591815 0.3101458), wk = 0.0026738
k( 84) = ( 0.0000000 0.5591815 0.3264692), wk = 0.0026738
k( 85) = ( 0.0000000 0.5591815 0.3427927), wk = 0.0026738
k( 86) = ( 0.0000000 0.5591815 0.3591161), wk = 0.0026738
k( 87) = ( 0.0000000 0.5591815 0.3754396), wk = 0.0026738
k( 88) = ( 0.0000000 0.5591815 0.3917631), wk = 0.0026738
k( 89) = ( 0.0000000 0.5591815 0.4080865), wk = 0.0026738
k( 90) = ( 0.0000000 0.5591815 0.4244100), wk = 0.0026738
k( 91) = ( 0.0000000 0.5591815 0.4407335), wk = 0.0026738
k( 92) = ( 0.0000000 0.5591815 0.4570569), wk = 0.0026738
k( 93) = ( 0.0000000 0.5591815 0.4733804), wk = 0.0026738
k( 94) = ( 0.0000000 0.5591815 0.4897038), wk = 0.0026738
k( 95) = ( 0.0000000 0.5591815 0.5060273), wk = 0.0026738
k( 96) = ( 0.0000000 0.5591815 0.5223508), wk = 0.0026738
k( 97) = ( 0.0000000 0.5591815 0.5386742), wk = 0.0026738
k( 98) = ( 0.0000000 0.5591815 0.5386742), wk = 0.0026738
k( 99) = ( 0.0164460 0.5591815 0.5386742), wk = 0.0026738
k( 100) = ( 0.0328920 0.5591815 0.5386742), wk = 0.0026738
k( 101) = ( 0.0493380 0.5591815 0.5386742), wk = 0.0026738
k( 102) = ( 0.0657840 0.5591815 0.5386742), wk = 0.0026738
k( 103) = ( 0.0822300 0.5591815 0.5386742), wk = 0.0026738
k( 104) = ( 0.0986760 0.5591815 0.5386742), wk = 0.0026738
k( 105) = ( 0.1151220 0.5591815 0.5386742), wk = 0.0026738
k( 106) = ( 0.1315680 0.5591815 0.5386742), wk = 0.0026738
k( 107) = ( 0.1480140 0.5591815 0.5386742), wk = 0.0026738
k( 108) = ( 0.1644600 0.5591815 0.5386742), wk = 0.0026738
k( 109) = ( 0.1809060 0.5591815 0.5386742), wk = 0.0026738
k( 110) = ( 0.1973520 0.5591815 0.5386742), wk = 0.0026738
k( 111) = ( 0.2137980 0.5591815 0.5386742), wk = 0.0026738
k( 112) = ( 0.2302440 0.5591815 0.5386742), wk = 0.0026738
k( 113) = ( 0.2466900 0.5591815 0.5386742), wk = 0.0026738
k( 114) = ( 0.2631360 0.5591815 0.5386742), wk = 0.0026738
k( 115) = ( 0.2795820 0.5591815 0.5386742), wk = 0.0026738
k( 116) = ( 0.2960280 0.5591815 0.5386742), wk = 0.0026738
k( 117) = ( 0.3124740 0.5591815 0.5386742), wk = 0.0026738
k( 118) = ( 0.3289200 0.5591815 0.5386742), wk = 0.0026738
k( 119) = ( 0.3453660 0.5591815 0.5386742), wk = 0.0026738
k( 120) = ( 0.3453660 0.5591815 0.5386742), wk = 0.0026738
k( 121) = ( 0.3367318 0.5452020 0.5386742), wk = 0.0026738
k( 122) = ( 0.3280977 0.5312224 0.5386742), wk = 0.0026738
k( 123) = ( 0.3194635 0.5172429 0.5386742), wk = 0.0026738
k( 124) = ( 0.3108294 0.5032634 0.5386742), wk = 0.0026738
k( 125) = ( 0.3021952 0.4892838 0.5386742), wk = 0.0026738
k( 126) = ( 0.2935611 0.4753043 0.5386742), wk = 0.0026738
k( 127) = ( 0.2849270 0.4613248 0.5386742), wk = 0.0026738
k( 128) = ( 0.2762928 0.4473452 0.5386742), wk = 0.0026738
k( 129) = ( 0.2676586 0.4333657 0.5386742), wk = 0.0026738
k( 130) = ( 0.2590245 0.4193861 0.5386742), wk = 0.0026738
k( 131) = ( 0.2503903 0.4054066 0.5386742), wk = 0.0026738
k( 132) = ( 0.2417562 0.3914271 0.5386742), wk = 0.0026738
k( 133) = ( 0.2331220 0.3774475 0.5386742), wk = 0.0026738
k( 134) = ( 0.2244879 0.3634680 0.5386742), wk = 0.0026738
k( 135) = ( 0.2158538 0.3494885 0.5386742), wk = 0.0026738
k( 136) = ( 0.2072196 0.3355089 0.5386742), wk = 0.0026738
k( 137) = ( 0.1985854 0.3215294 0.5386742), wk = 0.0026738
k( 138) = ( 0.1899513 0.3075498 0.5386742), wk = 0.0026738
k( 139) = ( 0.1813172 0.2935703 0.5386742), wk = 0.0026738
k( 140) = ( 0.1726830 0.2795908 0.5386742), wk = 0.0026738
k( 141) = ( 0.1640488 0.2656112 0.5386742), wk = 0.0026738
k( 142) = ( 0.1554147 0.2516317 0.5386742), wk = 0.0026738
k( 143) = ( 0.1467806 0.2376521 0.5386742), wk = 0.0026738
k( 144) = ( 0.1381464 0.2236726 0.5386742), wk = 0.0026738
k( 145) = ( 0.1295122 0.2096931 0.5386742), wk = 0.0026738
k( 146) = ( 0.1208781 0.1957135 0.5386742), wk = 0.0026738
k( 147) = ( 0.1122439 0.1817340 0.5386742), wk = 0.0026738
k( 148) = ( 0.1036098 0.1677545 0.5386742), wk = 0.0026738
k( 149) = ( 0.0949756 0.1537749 0.5386742), wk = 0.0026738
k( 150) = ( 0.0863415 0.1397954 0.5386742), wk = 0.0026738
k( 151) = ( 0.0777073 0.1258158 0.5386742), wk = 0.0026738
k( 152) = ( 0.0690732 0.1118363 0.5386742), wk = 0.0026738
k( 153) = ( 0.0604391 0.0978568 0.5386742), wk = 0.0026738
k( 154) = ( 0.0518049 0.0838772 0.5386742), wk = 0.0026738
k( 155) = ( 0.0431708 0.0698977 0.5386742), wk = 0.0026738
k( 156) = ( 0.0345366 0.0559182 0.5386742), wk = 0.0026738
k( 157) = ( 0.0259025 0.0419386 0.5386742), wk = 0.0026738
k( 158) = ( 0.0172683 0.0279591 0.5386742), wk = 0.0026738
k( 159) = ( 0.0086342 0.0139795 0.5386742), wk = 0.0026738
k( 160) = ( 0.0000000 0.0000000 0.5386742), wk = 0.0026738
k( 161) = ( 0.0000000 0.0000000 0.5386742), wk = 0.0026738
k( 162) = ( 0.0000000 0.0000000 0.5223508), wk = 0.0026738
k( 163) = ( 0.0000000 0.0000000 0.5060273), wk = 0.0026738
k( 164) = ( 0.0000000 0.0000000 0.4897038), wk = 0.0026738
k( 165) = ( 0.0000000 0.0000000 0.4733804), wk = 0.0026738
k( 166) = ( 0.0000000 0.0000000 0.4570569), wk = 0.0026738
k( 167) = ( 0.0000000 0.0000000 0.4407335), wk = 0.0026738
k( 168) = ( 0.0000000 0.0000000 0.4244100), wk = 0.0026738
k( 169) = ( 0.0000000 0.0000000 0.4080865), wk = 0.0026738
k( 170) = ( 0.0000000 0.0000000 0.3917631), wk = 0.0026738
k( 171) = ( 0.0000000 0.0000000 0.3754396), wk = 0.0026738
k( 172) = ( 0.0000000 0.0000000 0.3591161), wk = 0.0026738
k( 173) = ( 0.0000000 0.0000000 0.3427927), wk = 0.0026738
k( 174) = ( 0.0000000 0.0000000 0.3264692), wk = 0.0026738
k( 175) = ( 0.0000000 0.0000000 0.3101458), wk = 0.0026738
k( 176) = ( 0.0000000 0.0000000 0.2938223), wk = 0.0026738
k( 177) = ( 0.0000000 0.0000000 0.2774988), wk = 0.0026738
k( 178) = ( 0.0000000 0.0000000 0.2611754), wk = 0.0026738
k( 179) = ( 0.0000000 0.0000000 0.2448519), wk = 0.0026738
k( 180) = ( 0.0000000 0.0000000 0.2285285), wk = 0.0026738
k( 181) = ( 0.0000000 0.0000000 0.2122050), wk = 0.0026738
k( 182) = ( 0.0000000 0.0000000 0.1958815), wk = 0.0026738
k( 183) = ( 0.0000000 0.0000000 0.1795581), wk = 0.0026738
k( 184) = ( 0.0000000 0.0000000 0.1632346), wk = 0.0026738
k( 185) = ( 0.0000000 0.0000000 0.1469112), wk = 0.0026738
k( 186) = ( 0.0000000 0.0000000 0.1305877), wk = 0.0026738
k( 187) = ( 0.0000000 0.0000000 0.1142642), wk = 0.0026738
k( 188) = ( 0.0000000 0.0000000 0.0979408), wk = 0.0026738
k( 189) = ( 0.0000000 0.0000000 0.0816173), wk = 0.0026738
k( 190) = ( 0.0000000 0.0000000 0.0652938), wk = 0.0026738
k( 191) = ( 0.0000000 0.0000000 0.0489704), wk = 0.0026738
k( 192) = ( 0.0000000 0.0000000 0.0326469), wk = 0.0026738
k( 193) = ( 0.0000000 0.0000000 0.0163235), wk = 0.0026738
k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 196) = ( -0.0138889 0.0085782 0.0000000), wk = 0.0026738
k( 197) = ( -0.0277778 0.0171563 0.0000000), wk = 0.0026738
k( 198) = ( -0.0416667 0.0257345 0.0000000), wk = 0.0026738
k( 199) = ( -0.0555556 0.0343127 0.0000000), wk = 0.0026738
k( 200) = ( -0.0694444 0.0428908 0.0000000), wk = 0.0026738
k( 201) = ( -0.0833333 0.0514690 0.0000000), wk = 0.0026738
k( 202) = ( -0.0972222 0.0600471 0.0000000), wk = 0.0026738
k( 203) = ( -0.1111111 0.0686253 0.0000000), wk = 0.0026738
k( 204) = ( -0.1250000 0.0772035 0.0000000), wk = 0.0026738
k( 205) = ( -0.1388889 0.0857816 0.0000000), wk = 0.0026738
k( 206) = ( -0.1527778 0.0943598 0.0000000), wk = 0.0026738
k( 207) = ( -0.1666667 0.1029380 0.0000000), wk = 0.0026738
k( 208) = ( -0.1805556 0.1115161 0.0000000), wk = 0.0026738
k( 209) = ( -0.1944444 0.1200943 0.0000000), wk = 0.0026738
k( 210) = ( -0.2083333 0.1286724 0.0000000), wk = 0.0026738
k( 211) = ( -0.2222222 0.1372506 0.0000000), wk = 0.0026738
k( 212) = ( -0.2361111 0.1458288 0.0000000), wk = 0.0026738
k( 213) = ( -0.2500000 0.1544069 0.0000000), wk = 0.0026738
k( 214) = ( -0.2638889 0.1629851 0.0000000), wk = 0.0026738
k( 215) = ( -0.2777778 0.1715633 0.0000000), wk = 0.0026738
k( 216) = ( -0.2916667 0.1801414 0.0000000), wk = 0.0026738
k( 217) = ( -0.3055556 0.1887196 0.0000000), wk = 0.0026738
k( 218) = ( -0.3194444 0.1972977 0.0000000), wk = 0.0026738
k( 219) = ( -0.3333333 0.2058759 0.0000000), wk = 0.0026738
k( 220) = ( -0.3472222 0.2144541 0.0000000), wk = 0.0026738
k( 221) = ( -0.3611111 0.2230322 0.0000000), wk = 0.0026738
k( 222) = ( -0.3750000 0.2316104 0.0000000), wk = 0.0026738
k( 223) = ( -0.3888889 0.2401886 0.0000000), wk = 0.0026738
k( 224) = ( -0.4027778 0.2487667 0.0000000), wk = 0.0026738
k( 225) = ( -0.4166667 0.2573449 0.0000000), wk = 0.0026738
k( 226) = ( -0.4305556 0.2659230 0.0000000), wk = 0.0026738
k( 227) = ( -0.4444444 0.2745012 0.0000000), wk = 0.0026738
k( 228) = ( -0.4583333 0.2830794 0.0000000), wk = 0.0026738
k( 229) = ( -0.4722222 0.2916575 0.0000000), wk = 0.0026738
k( 230) = ( -0.4861111 0.3002357 0.0000000), wk = 0.0026738
k( 231) = ( -0.5000000 0.3088139 0.0000000), wk = 0.0026738
k( 232) = ( -0.5000000 0.3088139 0.0000000), wk = 0.0026738
k( 233) = ( -0.4914092 0.3227232 -0.0000000), wk = 0.0026738
k( 234) = ( -0.4828184 0.3366325 -0.0000000), wk = 0.0026738
k( 235) = ( -0.4742277 0.3505418 -0.0000000), wk = 0.0026738
k( 236) = ( -0.4656369 0.3644511 -0.0000000), wk = 0.0026738
k( 237) = ( -0.4570461 0.3783604 -0.0000000), wk = 0.0026738
k( 238) = ( -0.4484553 0.3922697 -0.0000000), wk = 0.0026738
k( 239) = ( -0.4398646 0.4061791 -0.0000000), wk = 0.0026738
k( 240) = ( -0.4312738 0.4200884 -0.0000000), wk = 0.0026738
k( 241) = ( -0.4226830 0.4339977 -0.0000000), wk = 0.0026738
k( 242) = ( -0.4140922 0.4479070 -0.0000000), wk = 0.0026738
k( 243) = ( -0.4055014 0.4618163 -0.0000000), wk = 0.0026738
k( 244) = ( -0.3969107 0.4757256 -0.0000000), wk = 0.0026738
k( 245) = ( -0.3883199 0.4896350 -0.0000000), wk = 0.0026738
k( 246) = ( -0.3797291 0.5035443 -0.0000000), wk = 0.0026738
k( 247) = ( -0.3711383 0.5174536 -0.0000000), wk = 0.0026738
k( 248) = ( -0.3625475 0.5313629 -0.0000000), wk = 0.0026738
k( 249) = ( -0.3539568 0.5452722 -0.0000000), wk = 0.0026738
k( 250) = ( -0.3453660 0.5591815 -0.0000000), wk = 0.0026738
k( 251) = ( -0.3453660 0.5591815 -0.0000000), wk = 0.0026738
k( 252) = ( -0.3453660 0.5591815 0.0163235), wk = 0.0026738
k( 253) = ( -0.3453660 0.5591815 0.0326469), wk = 0.0026738
k( 254) = ( -0.3453660 0.5591815 0.0489704), wk = 0.0026738
k( 255) = ( -0.3453660 0.5591815 0.0652938), wk = 0.0026738
k( 256) = ( -0.3453660 0.5591815 0.0816173), wk = 0.0026738
k( 257) = ( -0.3453660 0.5591815 0.0979408), wk = 0.0026738
k( 258) = ( -0.3453660 0.5591815 0.1142642), wk = 0.0026738
k( 259) = ( -0.3453660 0.5591815 0.1305877), wk = 0.0026738
k( 260) = ( -0.3453660 0.5591815 0.1469112), wk = 0.0026738
k( 261) = ( -0.3453660 0.5591815 0.1632346), wk = 0.0026738
k( 262) = ( -0.3453660 0.5591815 0.1795581), wk = 0.0026738
k( 263) = ( -0.3453660 0.5591815 0.1958815), wk = 0.0026738
k( 264) = ( -0.3453660 0.5591815 0.2122050), wk = 0.0026738
k( 265) = ( -0.3453660 0.5591815 0.2285285), wk = 0.0026738
k( 266) = ( -0.3453660 0.5591815 0.2448519), wk = 0.0026738
k( 267) = ( -0.3453660 0.5591815 0.2611754), wk = 0.0026738
k( 268) = ( -0.3453660 0.5591815 0.2774988), wk = 0.0026738
k( 269) = ( -0.3453660 0.5591815 0.2938223), wk = 0.0026738
k( 270) = ( -0.3453660 0.5591815 0.3101458), wk = 0.0026738
k( 271) = ( -0.3453660 0.5591815 0.3264692), wk = 0.0026738
k( 272) = ( -0.3453660 0.5591815 0.3427927), wk = 0.0026738
k( 273) = ( -0.3453660 0.5591815 0.3591161), wk = 0.0026738
k( 274) = ( -0.3453660 0.5591815 0.3754396), wk = 0.0026738
k( 275) = ( -0.3453660 0.5591815 0.3917631), wk = 0.0026738
k( 276) = ( -0.3453660 0.5591815 0.4080865), wk = 0.0026738
k( 277) = ( -0.3453660 0.5591815 0.4244100), wk = 0.0026738
k( 278) = ( -0.3453660 0.5591815 0.4407335), wk = 0.0026738
k( 279) = ( -0.3453660 0.5591815 0.4570569), wk = 0.0026738
k( 280) = ( -0.3453660 0.5591815 0.4733804), wk = 0.0026738
k( 281) = ( -0.3453660 0.5591815 0.4897038), wk = 0.0026738
k( 282) = ( -0.3453660 0.5591815 0.5060273), wk = 0.0026738
k( 283) = ( -0.3453660 0.5591815 0.5223508), wk = 0.0026738
k( 284) = ( -0.3453660 0.5591815 0.5386742), wk = 0.0026738
k( 285) = ( -0.3453660 0.5591815 0.5386742), wk = 0.0026738
k( 286) = ( -0.3539568 0.5452722 0.5386742), wk = 0.0026738
k( 287) = ( -0.3625475 0.5313629 0.5386742), wk = 0.0026738
k( 288) = ( -0.3711383 0.5174536 0.5386742), wk = 0.0026738
k( 289) = ( -0.3797291 0.5035443 0.5386742), wk = 0.0026738
k( 290) = ( -0.3883199 0.4896350 0.5386742), wk = 0.0026738
k( 291) = ( -0.3969107 0.4757256 0.5386742), wk = 0.0026738
k( 292) = ( -0.4055014 0.4618163 0.5386742), wk = 0.0026738
k( 293) = ( -0.4140922 0.4479070 0.5386742), wk = 0.0026738
k( 294) = ( -0.4226830 0.4339977 0.5386742), wk = 0.0026738
k( 295) = ( -0.4312738 0.4200884 0.5386742), wk = 0.0026738
k( 296) = ( -0.4398646 0.4061791 0.5386742), wk = 0.0026738
k( 297) = ( -0.4484553 0.3922697 0.5386742), wk = 0.0026738
k( 298) = ( -0.4570461 0.3783604 0.5386742), wk = 0.0026738
k( 299) = ( -0.4656369 0.3644511 0.5386742), wk = 0.0026738
k( 300) = ( -0.4742277 0.3505418 0.5386742), wk = 0.0026738
k( 301) = ( -0.4828184 0.3366325 0.5386742), wk = 0.0026738
k( 302) = ( -0.4914092 0.3227232 0.5386742), wk = 0.0026738
k( 303) = ( -0.5000000 0.3088139 0.5386742), wk = 0.0026738
k( 304) = ( -0.5000000 0.3088139 0.5386742), wk = 0.0026738
k( 305) = ( -0.5000000 0.3088139 0.5223508), wk = 0.0026738
k( 306) = ( -0.5000000 0.3088139 0.5060273), wk = 0.0026738
k( 307) = ( -0.5000000 0.3088139 0.4897038), wk = 0.0026738
k( 308) = ( -0.5000000 0.3088139 0.4733804), wk = 0.0026738
k( 309) = ( -0.5000000 0.3088139 0.4570569), wk = 0.0026738
k( 310) = ( -0.5000000 0.3088139 0.4407335), wk = 0.0026738
k( 311) = ( -0.5000000 0.3088139 0.4244100), wk = 0.0026738
k( 312) = ( -0.5000000 0.3088139 0.4080865), wk = 0.0026738
k( 313) = ( -0.5000000 0.3088139 0.3917631), wk = 0.0026738
k( 314) = ( -0.5000000 0.3088139 0.3754396), wk = 0.0026738
k( 315) = ( -0.5000000 0.3088139 0.3591161), wk = 0.0026738
k( 316) = ( -0.5000000 0.3088139 0.3427927), wk = 0.0026738
k( 317) = ( -0.5000000 0.3088139 0.3264692), wk = 0.0026738
k( 318) = ( -0.5000000 0.3088139 0.3101458), wk = 0.0026738
k( 319) = ( -0.5000000 0.3088139 0.2938223), wk = 0.0026738
k( 320) = ( -0.5000000 0.3088139 0.2774988), wk = 0.0026738
k( 321) = ( -0.5000000 0.3088139 0.2611754), wk = 0.0026738
k( 322) = ( -0.5000000 0.3088139 0.2448519), wk = 0.0026738
k( 323) = ( -0.5000000 0.3088139 0.2285285), wk = 0.0026738
k( 324) = ( -0.5000000 0.3088139 0.2122050), wk = 0.0026738
k( 325) = ( -0.5000000 0.3088139 0.1958815), wk = 0.0026738
k( 326) = ( -0.5000000 0.3088139 0.1795581), wk = 0.0026738
k( 327) = ( -0.5000000 0.3088139 0.1632346), wk = 0.0026738
k( 328) = ( -0.5000000 0.3088139 0.1469112), wk = 0.0026738
k( 329) = ( -0.5000000 0.3088139 0.1305877), wk = 0.0026738
k( 330) = ( -0.5000000 0.3088139 0.1142642), wk = 0.0026738
k( 331) = ( -0.5000000 0.3088139 0.0979408), wk = 0.0026738
k( 332) = ( -0.5000000 0.3088139 0.0816173), wk = 0.0026738
k( 333) = ( -0.5000000 0.3088139 0.0652938), wk = 0.0026738
k( 334) = ( -0.5000000 0.3088139 0.0489704), wk = 0.0026738
k( 335) = ( -0.5000000 0.3088139 0.0326469), wk = 0.0026738
k( 336) = ( -0.5000000 0.3088139 0.0163235), wk = 0.0026738
k( 337) = ( -0.5000000 0.3088139 0.0000000), wk = 0.0026738
k( 338) = ( 0.0000000 0.0000000 0.5386742), wk = 0.0026738
k( 339) = ( -0.0138889 0.0085782 0.5386742), wk = 0.0026738
k( 340) = ( -0.0277778 0.0171563 0.5386742), wk = 0.0026738
k( 341) = ( -0.0416667 0.0257345 0.5386742), wk = 0.0026738
k( 342) = ( -0.0555556 0.0343127 0.5386742), wk = 0.0026738
k( 343) = ( -0.0694444 0.0428908 0.5386742), wk = 0.0026738
k( 344) = ( -0.0833333 0.0514690 0.5386742), wk = 0.0026738
k( 345) = ( -0.0972222 0.0600471 0.5386742), wk = 0.0026738
k( 346) = ( -0.1111111 0.0686253 0.5386742), wk = 0.0026738
k( 347) = ( -0.1250000 0.0772035 0.5386742), wk = 0.0026738
k( 348) = ( -0.1388889 0.0857816 0.5386742), wk = 0.0026738
k( 349) = ( -0.1527778 0.0943598 0.5386742), wk = 0.0026738
k( 350) = ( -0.1666667 0.1029380 0.5386742), wk = 0.0026738
k( 351) = ( -0.1805556 0.1115161 0.5386742), wk = 0.0026738
k( 352) = ( -0.1944444 0.1200943 0.5386742), wk = 0.0026738
k( 353) = ( -0.2083333 0.1286724 0.5386742), wk = 0.0026738
k( 354) = ( -0.2222222 0.1372506 0.5386742), wk = 0.0026738
k( 355) = ( -0.2361111 0.1458288 0.5386742), wk = 0.0026738
k( 356) = ( -0.2500000 0.1544069 0.5386742), wk = 0.0026738
k( 357) = ( -0.2638889 0.1629851 0.5386742), wk = 0.0026738
k( 358) = ( -0.2777778 0.1715633 0.5386742), wk = 0.0026738
k( 359) = ( -0.2916667 0.1801414 0.5386742), wk = 0.0026738
k( 360) = ( -0.3055556 0.1887196 0.5386742), wk = 0.0026738
k( 361) = ( -0.3194444 0.1972977 0.5386742), wk = 0.0026738
k( 362) = ( -0.3333333 0.2058759 0.5386742), wk = 0.0026738
k( 363) = ( -0.3472222 0.2144541 0.5386742), wk = 0.0026738
k( 364) = ( -0.3611111 0.2230322 0.5386742), wk = 0.0026738
k( 365) = ( -0.3750000 0.2316104 0.5386742), wk = 0.0026738
k( 366) = ( -0.3888889 0.2401886 0.5386742), wk = 0.0026738
k( 367) = ( -0.4027778 0.2487667 0.5386742), wk = 0.0026738
k( 368) = ( -0.4166667 0.2573449 0.5386742), wk = 0.0026738
k( 369) = ( -0.4305556 0.2659230 0.5386742), wk = 0.0026738
k( 370) = ( -0.4444444 0.2745012 0.5386742), wk = 0.0026738
k( 371) = ( -0.4583333 0.2830794 0.5386742), wk = 0.0026738
k( 372) = ( -0.4722222 0.2916575 0.5386742), wk = 0.0026738
k( 373) = ( -0.4861111 0.3002357 0.5386742), wk = 0.0026738
k( 374) = ( -0.5000000 0.3088139 0.5386742), wk = 0.0026738
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 2) = ( 0.0086342 0.0086342 0.0000000), wk = 0.0026738
k( 3) = ( 0.0172683 0.0172683 0.0000000), wk = 0.0026738
k( 4) = ( 0.0259025 0.0259025 0.0000000), wk = 0.0026738
k( 5) = ( 0.0345366 0.0345366 0.0000000), wk = 0.0026738
k( 6) = ( 0.0431708 0.0431708 0.0000000), wk = 0.0026738
k( 7) = ( 0.0518049 0.0518049 0.0000000), wk = 0.0026738
k( 8) = ( 0.0604391 0.0604391 0.0000000), wk = 0.0026738
k( 9) = ( 0.0690732 0.0690732 0.0000000), wk = 0.0026738
k( 10) = ( 0.0777073 0.0777073 -0.0000000), wk = 0.0026738
k( 11) = ( 0.0863415 0.0863415 0.0000000), wk = 0.0026738
k( 12) = ( 0.0949756 0.0949756 0.0000000), wk = 0.0026738
k( 13) = ( 0.1036098 0.1036098 0.0000000), wk = 0.0026738
k( 14) = ( 0.1122439 0.1122440 -0.0000000), wk = 0.0026738
k( 15) = ( 0.1208781 0.1208781 0.0000000), wk = 0.0026738
k( 16) = ( 0.1295122 0.1295122 -0.0000000), wk = 0.0026738
k( 17) = ( 0.1381464 0.1381464 0.0000000), wk = 0.0026738
k( 18) = ( 0.1467806 0.1467806 0.0000000), wk = 0.0026738
k( 19) = ( 0.1554147 0.1554147 -0.0000000), wk = 0.0026738
k( 20) = ( 0.1640488 0.1640488 0.0000000), wk = 0.0026738
k( 21) = ( 0.1726830 0.1726830 0.0000000), wk = 0.0026738
k( 22) = ( 0.1813172 0.1813172 0.0000000), wk = 0.0026738
k( 23) = ( 0.1899513 0.1899513 0.0000000), wk = 0.0026738
k( 24) = ( 0.1985854 0.1985855 0.0000000), wk = 0.0026738
k( 25) = ( 0.2072196 0.2072196 0.0000000), wk = 0.0026738
k( 26) = ( 0.2158538 0.2158538 0.0000000), wk = 0.0026738
k( 27) = ( 0.2244879 0.2244879 -0.0000000), wk = 0.0026738
k( 28) = ( 0.2331220 0.2331221 -0.0000000), wk = 0.0026738
k( 29) = ( 0.2417562 0.2417562 0.0000000), wk = 0.0026738
k( 30) = ( 0.2503903 0.2503904 0.0000000), wk = 0.0026738
k( 31) = ( 0.2590245 0.2590245 -0.0000000), wk = 0.0026738
k( 32) = ( 0.2676586 0.2676586 0.0000000), wk = 0.0026738
k( 33) = ( 0.2762928 0.2762928 0.0000000), wk = 0.0026738
k( 34) = ( 0.2849270 0.2849270 0.0000000), wk = 0.0026738
k( 35) = ( 0.2935611 0.2935611 0.0000000), wk = 0.0026738
k( 36) = ( 0.3021952 0.3021952 0.0000000), wk = 0.0026738
k( 37) = ( 0.3108294 0.3108294 0.0000000), wk = 0.0026738
k( 38) = ( 0.3194635 0.3194635 0.0000000), wk = 0.0026738
k( 39) = ( 0.3280977 0.3280977 0.0000000), wk = 0.0026738
k( 40) = ( 0.3367318 0.3367318 -0.0000000), wk = 0.0026738
k( 41) = ( 0.3453660 0.3453660 0.0000000), wk = 0.0026738
k( 42) = ( 0.3453660 0.3453660 0.0000000), wk = 0.0026738
k( 43) = ( 0.3289200 0.3527295 -0.0000000), wk = 0.0026738
k( 44) = ( 0.3124740 0.3600930 0.0000000), wk = 0.0026738
k( 45) = ( 0.2960280 0.3674566 0.0000000), wk = 0.0026738
k( 46) = ( 0.2795820 0.3748201 -0.0000000), wk = 0.0026738
k( 47) = ( 0.2631360 0.3821836 0.0000000), wk = 0.0026738
k( 48) = ( 0.2466900 0.3895471 0.0000000), wk = 0.0026738
k( 49) = ( 0.2302440 0.3969107 0.0000000), wk = 0.0026738
k( 50) = ( 0.2137980 0.4042742 0.0000000), wk = 0.0026738
k( 51) = ( 0.1973520 0.4116377 0.0000000), wk = 0.0026738
k( 52) = ( 0.1809060 0.4190012 0.0000000), wk = 0.0026738
k( 53) = ( 0.1644600 0.4263648 -0.0000000), wk = 0.0026738
k( 54) = ( 0.1480140 0.4337283 -0.0000000), wk = 0.0026738
k( 55) = ( 0.1315680 0.4410918 0.0000000), wk = 0.0026738
k( 56) = ( 0.1151220 0.4484553 0.0000000), wk = 0.0026738
k( 57) = ( 0.0986760 0.4558189 0.0000000), wk = 0.0026738
k( 58) = ( 0.0822300 0.4631824 0.0000000), wk = 0.0026738
k( 59) = ( 0.0657840 0.4705459 0.0000000), wk = 0.0026738
k( 60) = ( 0.0493380 0.4779094 0.0000000), wk = 0.0026738
k( 61) = ( 0.0328920 0.4852729 0.0000000), wk = 0.0026738
k( 62) = ( 0.0164460 0.4926365 0.0000000), wk = 0.0026738
k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738
k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738
k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738
k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738
k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738
k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738
k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738
k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738
k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738
k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738
k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738
k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738
k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738
k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738
k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738
k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738
k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738
k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738
k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738
k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738
k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738
k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738
k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738
k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738
k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738
k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738
k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738
k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738
k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738
k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738
k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738
k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738
k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738
k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738
k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738
k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738
k( 99) = ( 0.0164460 0.4926365 0.5000000), wk = 0.0026738
k( 100) = ( 0.0328920 0.4852729 0.5000000), wk = 0.0026738
k( 101) = ( 0.0493380 0.4779094 0.5000000), wk = 0.0026738
k( 102) = ( 0.0657840 0.4705459 0.5000000), wk = 0.0026738
k( 103) = ( 0.0822300 0.4631824 0.5000000), wk = 0.0026738
k( 104) = ( 0.0986760 0.4558189 0.5000000), wk = 0.0026738
k( 105) = ( 0.1151220 0.4484553 0.5000000), wk = 0.0026738
k( 106) = ( 0.1315680 0.4410918 0.5000000), wk = 0.0026738
k( 107) = ( 0.1480140 0.4337283 0.5000000), wk = 0.0026738
k( 108) = ( 0.1644600 0.4263648 0.5000000), wk = 0.0026738
k( 109) = ( 0.1809060 0.4190012 0.5000000), wk = 0.0026738
k( 110) = ( 0.1973520 0.4116377 0.5000000), wk = 0.0026738
k( 111) = ( 0.2137980 0.4042742 0.5000000), wk = 0.0026738
k( 112) = ( 0.2302440 0.3969107 0.5000000), wk = 0.0026738
k( 113) = ( 0.2466900 0.3895471 0.5000000), wk = 0.0026738
k( 114) = ( 0.2631360 0.3821836 0.5000000), wk = 0.0026738
k( 115) = ( 0.2795820 0.3748201 0.5000000), wk = 0.0026738
k( 116) = ( 0.2960280 0.3674566 0.5000000), wk = 0.0026738
k( 117) = ( 0.3124740 0.3600930 0.5000000), wk = 0.0026738
k( 118) = ( 0.3289200 0.3527295 0.5000000), wk = 0.0026738
k( 119) = ( 0.3453660 0.3453660 0.5000000), wk = 0.0026738
k( 120) = ( 0.3453660 0.3453660 0.5000000), wk = 0.0026738
k( 121) = ( 0.3367318 0.3367318 0.5000000), wk = 0.0026738
k( 122) = ( 0.3280977 0.3280977 0.5000000), wk = 0.0026738
k( 123) = ( 0.3194635 0.3194635 0.5000000), wk = 0.0026738
k( 124) = ( 0.3108294 0.3108294 0.5000000), wk = 0.0026738
k( 125) = ( 0.3021952 0.3021952 0.5000000), wk = 0.0026738
k( 126) = ( 0.2935611 0.2935611 0.5000000), wk = 0.0026738
k( 127) = ( 0.2849270 0.2849270 0.5000000), wk = 0.0026738
k( 128) = ( 0.2762928 0.2762928 0.5000000), wk = 0.0026738
k( 129) = ( 0.2676586 0.2676586 0.5000000), wk = 0.0026738
k( 130) = ( 0.2590245 0.2590245 0.5000000), wk = 0.0026738
k( 131) = ( 0.2503903 0.2503904 0.5000000), wk = 0.0026738
k( 132) = ( 0.2417562 0.2417562 0.5000000), wk = 0.0026738
k( 133) = ( 0.2331220 0.2331221 0.5000000), wk = 0.0026738
k( 134) = ( 0.2244879 0.2244879 0.5000000), wk = 0.0026738
k( 135) = ( 0.2158538 0.2158538 0.5000000), wk = 0.0026738
k( 136) = ( 0.2072196 0.2072196 0.5000000), wk = 0.0026738
k( 137) = ( 0.1985854 0.1985855 0.5000000), wk = 0.0026738
k( 138) = ( 0.1899513 0.1899513 0.5000000), wk = 0.0026738
k( 139) = ( 0.1813172 0.1813172 0.5000000), wk = 0.0026738
k( 140) = ( 0.1726830 0.1726830 0.5000000), wk = 0.0026738
k( 141) = ( 0.1640488 0.1640488 0.5000000), wk = 0.0026738
k( 142) = ( 0.1554147 0.1554147 0.5000000), wk = 0.0026738
k( 143) = ( 0.1467806 0.1467806 0.5000000), wk = 0.0026738
k( 144) = ( 0.1381464 0.1381464 0.5000000), wk = 0.0026738
k( 145) = ( 0.1295122 0.1295122 0.5000000), wk = 0.0026738
k( 146) = ( 0.1208781 0.1208781 0.5000000), wk = 0.0026738
k( 147) = ( 0.1122439 0.1122440 0.5000000), wk = 0.0026738
k( 148) = ( 0.1036098 0.1036098 0.5000000), wk = 0.0026738
k( 149) = ( 0.0949756 0.0949756 0.5000000), wk = 0.0026738
k( 150) = ( 0.0863415 0.0863415 0.5000000), wk = 0.0026738
k( 151) = ( 0.0777073 0.0777073 0.5000000), wk = 0.0026738
k( 152) = ( 0.0690732 0.0690732 0.5000000), wk = 0.0026738
k( 153) = ( 0.0604391 0.0604391 0.5000000), wk = 0.0026738
k( 154) = ( 0.0518049 0.0518049 0.5000000), wk = 0.0026738
k( 155) = ( 0.0431708 0.0431708 0.5000000), wk = 0.0026738
k( 156) = ( 0.0345366 0.0345366 0.5000000), wk = 0.0026738
k( 157) = ( 0.0259025 0.0259025 0.5000000), wk = 0.0026738
k( 158) = ( 0.0172683 0.0172683 0.5000000), wk = 0.0026738
k( 159) = ( 0.0086342 0.0086342 0.5000000), wk = 0.0026738
k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738
k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738
k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738
k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738
k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738
k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738
k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738
k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738
k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738
k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738
k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738
k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738
k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738
k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738
k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738
k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738
k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738
k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738
k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738
k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738
k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738
k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738
k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738
k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738
k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738
k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738
k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738
k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738
k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738
k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738
k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738
k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738
k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738
k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738
k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738
k( 196) = ( -0.0138889 0.0138889 -0.0000000), wk = 0.0026738
k( 197) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0026738
k( 198) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0026738
k( 199) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0026738
k( 200) = ( -0.0694444 0.0694444 -0.0000000), wk = 0.0026738
k( 201) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0026738
k( 202) = ( -0.0972222 0.0972222 -0.0000000), wk = 0.0026738
k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738
k( 204) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026738
k( 205) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0026738
k( 206) = ( -0.1527778 0.1527778 -0.0000000), wk = 0.0026738
k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738
k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738
k( 209) = ( -0.1944444 0.1944444 -0.0000000), wk = 0.0026738
k( 210) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0026738
k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738
k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738
k( 213) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026738
k( 214) = ( -0.2638889 0.2638889 -0.0000000), wk = 0.0026738
k( 215) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738
k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738
k( 217) = ( -0.3055556 0.3055556 -0.0000000), wk = 0.0026738
k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738
k( 219) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026738
k( 220) = ( -0.3472222 0.3472222 -0.0000000), wk = 0.0026738
k( 221) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0026738
k( 222) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0026738
k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738
k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738
k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738
k( 226) = ( -0.4305556 0.4305556 -0.0000000), wk = 0.0026738
k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738
k( 228) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0026738
k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738
k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738
k( 231) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738
k( 232) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738
k( 233) = ( -0.4914092 0.5085908 0.0000000), wk = 0.0026738
k( 234) = ( -0.4828184 0.5171816 -0.0000000), wk = 0.0026738
k( 235) = ( -0.4742277 0.5257723 -0.0000000), wk = 0.0026738
k( 236) = ( -0.4656369 0.5343631 -0.0000000), wk = 0.0026738
k( 237) = ( -0.4570461 0.5429539 0.0000000), wk = 0.0026738
k( 238) = ( -0.4484553 0.5515447 -0.0000000), wk = 0.0026738
k( 239) = ( -0.4398646 0.5601354 -0.0000000), wk = 0.0026738
k( 240) = ( -0.4312738 0.5687262 0.0000000), wk = 0.0026738
k( 241) = ( -0.4226830 0.5773170 -0.0000000), wk = 0.0026738
k( 242) = ( -0.4140922 0.5859078 -0.0000000), wk = 0.0026738
k( 243) = ( -0.4055014 0.5944986 -0.0000000), wk = 0.0026738
k( 244) = ( -0.3969107 0.6030893 -0.0000000), wk = 0.0026738
k( 245) = ( -0.3883199 0.6116801 0.0000000), wk = 0.0026738
k( 246) = ( -0.3797291 0.6202709 -0.0000000), wk = 0.0026738
k( 247) = ( -0.3711383 0.6288617 -0.0000000), wk = 0.0026738
k( 248) = ( -0.3625475 0.6374524 -0.0000000), wk = 0.0026738
k( 249) = ( -0.3539568 0.6460432 0.0000000), wk = 0.0026738
k( 250) = ( -0.3453660 0.6546340 0.0000000), wk = 0.0026738
k( 251) = ( -0.3453660 0.6546340 0.0000000), wk = 0.0026738
k( 252) = ( -0.3453660 0.6546340 0.0151515), wk = 0.0026738
k( 253) = ( -0.3453660 0.6546340 0.0303030), wk = 0.0026738
k( 254) = ( -0.3453660 0.6546340 0.0454546), wk = 0.0026738
k( 255) = ( -0.3453660 0.6546340 0.0606061), wk = 0.0026738
k( 256) = ( -0.3453660 0.6546340 0.0757576), wk = 0.0026738
k( 257) = ( -0.3453660 0.6546340 0.0909091), wk = 0.0026738
k( 258) = ( -0.3453660 0.6546340 0.1060606), wk = 0.0026738
k( 259) = ( -0.3453660 0.6546340 0.1212121), wk = 0.0026738
k( 260) = ( -0.3453660 0.6546340 0.1363636), wk = 0.0026738
k( 261) = ( -0.3453660 0.6546340 0.1515151), wk = 0.0026738
k( 262) = ( -0.3453660 0.6546340 0.1666667), wk = 0.0026738
k( 263) = ( -0.3453660 0.6546340 0.1818182), wk = 0.0026738
k( 264) = ( -0.3453660 0.6546340 0.1969697), wk = 0.0026738
k( 265) = ( -0.3453660 0.6546340 0.2121212), wk = 0.0026738
k( 266) = ( -0.3453660 0.6546340 0.2272727), wk = 0.0026738
k( 267) = ( -0.3453660 0.6546340 0.2424242), wk = 0.0026738
k( 268) = ( -0.3453660 0.6546340 0.2575758), wk = 0.0026738
k( 269) = ( -0.3453660 0.6546340 0.2727273), wk = 0.0026738
k( 270) = ( -0.3453660 0.6546340 0.2878788), wk = 0.0026738
k( 271) = ( -0.3453660 0.6546340 0.3030303), wk = 0.0026738
k( 272) = ( -0.3453660 0.6546340 0.3181818), wk = 0.0026738
k( 273) = ( -0.3453660 0.6546340 0.3333333), wk = 0.0026738
k( 274) = ( -0.3453660 0.6546340 0.3484849), wk = 0.0026738
k( 275) = ( -0.3453660 0.6546340 0.3636364), wk = 0.0026738
k( 276) = ( -0.3453660 0.6546340 0.3787879), wk = 0.0026738
k( 277) = ( -0.3453660 0.6546340 0.3939394), wk = 0.0026738
k( 278) = ( -0.3453660 0.6546340 0.4090909), wk = 0.0026738
k( 279) = ( -0.3453660 0.6546340 0.4242424), wk = 0.0026738
k( 280) = ( -0.3453660 0.6546340 0.4393939), wk = 0.0026738
k( 281) = ( -0.3453660 0.6546340 0.4545455), wk = 0.0026738
k( 282) = ( -0.3453660 0.6546340 0.4696970), wk = 0.0026738
k( 283) = ( -0.3453660 0.6546340 0.4848485), wk = 0.0026738
k( 284) = ( -0.3453660 0.6546340 0.5000000), wk = 0.0026738
k( 285) = ( -0.3453660 0.6546340 0.5000000), wk = 0.0026738
k( 286) = ( -0.3539568 0.6460432 0.5000000), wk = 0.0026738
k( 287) = ( -0.3625475 0.6374524 0.5000000), wk = 0.0026738
k( 288) = ( -0.3711383 0.6288617 0.5000000), wk = 0.0026738
k( 289) = ( -0.3797291 0.6202709 0.5000000), wk = 0.0026738
k( 290) = ( -0.3883199 0.6116801 0.5000000), wk = 0.0026738
k( 291) = ( -0.3969107 0.6030893 0.5000000), wk = 0.0026738
k( 292) = ( -0.4055014 0.5944986 0.5000000), wk = 0.0026738
k( 293) = ( -0.4140922 0.5859078 0.5000000), wk = 0.0026738
k( 294) = ( -0.4226830 0.5773170 0.5000000), wk = 0.0026738
k( 295) = ( -0.4312738 0.5687262 0.5000000), wk = 0.0026738
k( 296) = ( -0.4398646 0.5601354 0.5000000), wk = 0.0026738
k( 297) = ( -0.4484553 0.5515447 0.5000000), wk = 0.0026738
k( 298) = ( -0.4570461 0.5429539 0.5000000), wk = 0.0026738
k( 299) = ( -0.4656369 0.5343631 0.5000000), wk = 0.0026738
k( 300) = ( -0.4742277 0.5257723 0.5000000), wk = 0.0026738
k( 301) = ( -0.4828184 0.5171816 0.5000000), wk = 0.0026738
k( 302) = ( -0.4914092 0.5085908 0.5000000), wk = 0.0026738
k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738
k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738
k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738
k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738
k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738
k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738
k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738
k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738
k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738
k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738
k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738
k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738
k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738
k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738
k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738
k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738
k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738
k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738
k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738
k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738
k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738
k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738
k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738
k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738
k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738
k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738
k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738
k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738
k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738
k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738
k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738
k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738
k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738
k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738
k( 337) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026738
k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738
k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738
k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738
k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738
k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738
k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738
k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738
k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738
k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738
k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738
k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738
k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738
k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738
k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738
k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738
k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738
k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738
k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738
k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738
k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738
k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738
k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738
k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738
k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738
k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738
k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738
k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738
k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738
k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738
k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738
k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738
k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738
k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738
k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738
k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738
k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738
k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738
Dense grid: 80605 G-vectors FFT dimensions: ( 60, 60, 54)
Smooth grid: 35615 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58)
NL pseudopotentials 0.32 Mb ( 96, 220)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1682)
G-vector shells 0.01 Mb ( 830)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.68 Mb ( 192, 232)
Each subspace H/S matrix 0.82 Mb ( 232, 232)
Each <psi_i|beta_j> matrix 0.39 Mb ( 220, 2, 58)
Check: negative/imaginary core charge= -0.000004 0.000000
The potential is recalculated from file :
./Si2N2O.save/charge-density.dat
Starting wfc are 80 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 45.0 secs
Computing kpt #: 2
total cpu time spent up to now is 48.6 secs
Computing kpt #: 3
total cpu time spent up to now is 53.6 secs
Computing kpt #: 4
total cpu time spent up to now is 56.2 secs
Computing kpt #: 5
total cpu time spent up to now is 61.7 secs
Computing kpt #: 6
total cpu time spent up to now is 64.9 secs
Computing kpt #: 7
total cpu time spent up to now is 67.5 secs
Computing kpt #: 8
total cpu time spent up to now is 70.4 secs
Computing kpt #: 9
total cpu time spent up to now is 73.9 secs
Computing kpt #: 10
total cpu time spent up to now is 76.6 secs
Computing kpt #: 11
total cpu time spent up to now is 78.9 secs
Computing kpt #: 12
total cpu time spent up to now is 81.2 secs
Computing kpt #: 13
total cpu time spent up to now is 83.9 secs
Computing kpt #: 14
total cpu time spent up to now is 88.0 secs
Computing kpt #: 15
total cpu time spent up to now is 90.4 secs
Computing kpt #: 16
total cpu time spent up to now is 94.7 secs
Computing kpt #: 17
total cpu time spent up to now is 98.1 secs
Computing kpt #: 18
total cpu time spent up to now is 101.0 secs
Computing kpt #: 19
total cpu time spent up to now is 104.2 secs
Computing kpt #: 20
total cpu time spent up to now is 108.2 secs
Computing kpt #: 21
total cpu time spent up to now is 111.7 secs
Computing kpt #: 22
total cpu time spent up to now is 116.7 secs
Computing kpt #: 23
total cpu time spent up to now is 121.8 secs
Computing kpt #: 24
total cpu time spent up to now is 127.2 secs
Computing kpt #: 25
total cpu time spent up to now is 131.3 secs
Computing kpt #: 26
total cpu time spent up to now is 134.6 secs
Computing kpt #: 27
total cpu time spent up to now is 140.7 secs
Computing kpt #: 28
total cpu time spent up to now is 144.0 secs
Computing kpt #: 29
total cpu time spent up to now is 147.5 secs
Computing kpt #: 30
total cpu time spent up to now is 150.8 secs
Computing kpt #: 31
total cpu time spent up to now is 153.5 secs
Computing kpt #: 32
total cpu time spent up to now is 156.2 secs
Computing kpt #: 33
total cpu time spent up to now is 159.1 secs
Computing kpt #: 34
total cpu time spent up to now is 162.1 secs
Computing kpt #: 35
total cpu time spent up to now is 166.3 secs
Computing kpt #: 36
total cpu time spent up to now is 169.9 secs
Computing kpt #: 37
total cpu time spent up to now is 174.2 secs
Computing kpt #: 38
total cpu time spent up to now is 177.5 secs
Computing kpt #: 39
total cpu time spent up to now is 181.0 secs
Computing kpt #: 40
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 186.4 secs
Computing kpt #: 41
total cpu time spent up to now is 190.1 secs
Computing kpt #: 42
total cpu time spent up to now is 193.9 secs
Computing kpt #: 43
total cpu time spent up to now is 198.8 secs
Computing kpt #: 44
total cpu time spent up to now is 202.8 secs
Computing kpt #: 45
total cpu time spent up to now is 208.1 secs
Computing kpt #: 46
total cpu time spent up to now is 213.3 secs
Computing kpt #: 47
total cpu time spent up to now is 217.5 secs
Computing kpt #: 48
total cpu time spent up to now is 223.1 secs
Computing kpt #: 49
total cpu time spent up to now is 227.3 secs
Computing kpt #: 50
total cpu time spent up to now is 232.2 secs
Computing kpt #: 51
total cpu time spent up to now is 236.9 secs
Computing kpt #: 52
total cpu time spent up to now is 240.9 secs
Computing kpt #: 53
total cpu time spent up to now is 245.7 secs
Computing kpt #: 54
total cpu time spent up to now is 249.5 secs
Computing kpt #: 55
total cpu time spent up to now is 253.3 secs
Computing kpt #: 56
total cpu time spent up to now is 256.4 secs
Computing kpt #: 57
total cpu time spent up to now is 259.5 secs
Computing kpt #: 58
total cpu time spent up to now is 262.5 secs
Computing kpt #: 59
total cpu time spent up to now is 265.5 secs
Computing kpt #: 60
total cpu time spent up to now is 269.6 secs
Computing kpt #: 61
total cpu time spent up to now is 272.4 secs
Computing kpt #: 62
total cpu time spent up to now is 276.6 secs
Computing kpt #: 63
total cpu time spent up to now is 280.3 secs
Computing kpt #: 64
total cpu time spent up to now is 283.3 secs
Computing kpt #: 65
total cpu time spent up to now is 287.1 secs
Computing kpt #: 66
total cpu time spent up to now is 291.6 secs
Computing kpt #: 67
total cpu time spent up to now is 295.3 secs
Computing kpt #: 68
total cpu time spent up to now is 300.1 secs
Computing kpt #: 69
total cpu time spent up to now is 304.2 secs
Computing kpt #: 70
total cpu time spent up to now is 309.5 secs
Computing kpt #: 71
total cpu time spent up to now is 315.6 secs
Computing kpt #: 72
total cpu time spent up to now is 320.7 secs
Computing kpt #: 73
total cpu time spent up to now is 326.1 secs
Computing kpt #: 74
total cpu time spent up to now is 331.2 secs
Computing kpt #: 75
total cpu time spent up to now is 335.7 secs
Computing kpt #: 76
total cpu time spent up to now is 342.3 secs
Computing kpt #: 77
total cpu time spent up to now is 346.6 secs
Computing kpt #: 78
total cpu time spent up to now is 351.9 secs
Computing kpt #: 79
total cpu time spent up to now is 357.1 secs
Computing kpt #: 80
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 363.1 secs
Computing kpt #: 81
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 368.6 secs
Computing kpt #: 82
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 374.5 secs
Computing kpt #: 83
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 380.0 secs
Computing kpt #: 84
total cpu time spent up to now is 385.2 secs
Computing kpt #: 85
total cpu time spent up to now is 390.2 secs
Computing kpt #: 86
total cpu time spent up to now is 395.3 secs
Computing kpt #: 87
total cpu time spent up to now is 402.0 secs
Computing kpt #: 88
total cpu time spent up to now is 407.0 secs
Computing kpt #: 89
total cpu time spent up to now is 412.3 secs
Computing kpt #: 90
total cpu time spent up to now is 416.2 secs
Computing kpt #: 91
total cpu time spent up to now is 420.5 secs
Computing kpt #: 92
total cpu time spent up to now is 423.5 secs
Computing kpt #: 93
total cpu time spent up to now is 428.3 secs
Computing kpt #: 94
total cpu time spent up to now is 432.7 secs
Computing kpt #: 95
total cpu time spent up to now is 435.6 secs
Computing kpt #: 96
total cpu time spent up to now is 439.1 secs
Computing kpt #: 97
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 447.0 secs
Computing kpt #: 98
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 454.3 secs
Computing kpt #: 99
total cpu time spent up to now is 458.3 secs
Computing kpt #: 100
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 464.3 secs
Computing kpt #: 101
total cpu time spent up to now is 469.5 secs
Computing kpt #: 102
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 476.6 secs
Computing kpt #: 103
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 481.7 secs
Computing kpt #: 104
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 487.1 secs
Computing kpt #: 105
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 493.7 secs
Computing kpt #: 106
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 499.1 secs
Computing kpt #: 107
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 504.6 secs
Computing kpt #: 108
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 510.4 secs
Computing kpt #: 109
total cpu time spent up to now is 515.1 secs
Computing kpt #: 110
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 521.7 secs
Computing kpt #: 111
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 528.7 secs
Computing kpt #: 112
total cpu time spent up to now is 532.3 secs
Computing kpt #: 113
total cpu time spent up to now is 536.4 secs
Computing kpt #: 114
total cpu time spent up to now is 540.6 secs
Computing kpt #: 115
total cpu time spent up to now is 544.3 secs
Computing kpt #: 116
total cpu time spent up to now is 548.2 secs
Computing kpt #: 117
total cpu time spent up to now is 552.4 secs
Computing kpt #: 118
total cpu time spent up to now is 557.3 secs
Computing kpt #: 119
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 563.3 secs
Computing kpt #: 120
total cpu time spent up to now is 567.8 secs
Computing kpt #: 121
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 573.5 secs
Computing kpt #: 122
total cpu time spent up to now is 576.8 secs
Computing kpt #: 123
total cpu time spent up to now is 580.9 secs
Computing kpt #: 124
total cpu time spent up to now is 585.4 secs
Computing kpt #: 125
total cpu time spent up to now is 589.6 secs
Computing kpt #: 126
total cpu time spent up to now is 593.2 secs
Computing kpt #: 127
total cpu time spent up to now is 595.8 secs
Computing kpt #: 128
total cpu time spent up to now is 599.9 secs
Computing kpt #: 129
total cpu time spent up to now is 603.8 secs
Computing kpt #: 130
total cpu time spent up to now is 607.9 secs
Computing kpt #: 131
total cpu time spent up to now is 611.5 secs
Computing kpt #: 132
total cpu time spent up to now is 617.0 secs
Computing kpt #: 133
total cpu time spent up to now is 621.6 secs
Computing kpt #: 134
total cpu time spent up to now is 625.7 secs
Computing kpt #: 135
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 631.6 secs
Computing kpt #: 136
total cpu time spent up to now is 636.9 secs
Computing kpt #: 137
total cpu time spent up to now is 642.9 secs
Computing kpt #: 138
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 648.0 secs
Computing kpt #: 139
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 653.6 secs
Computing kpt #: 140
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 659.5 secs
Computing kpt #: 141
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 664.8 secs
Computing kpt #: 142
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 670.0 secs
Computing kpt #: 143
total cpu time spent up to now is 674.7 secs
Computing kpt #: 144
total cpu time spent up to now is 678.2 secs
Computing kpt #: 145
total cpu time spent up to now is 683.6 secs
Computing kpt #: 146
total cpu time spent up to now is 689.5 secs
Computing kpt #: 147
total cpu time spent up to now is 693.0 secs
Computing kpt #: 148
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 698.1 secs
Computing kpt #: 149
total cpu time spent up to now is 702.7 secs
Computing kpt #: 150
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 708.1 secs
Computing kpt #: 151
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 715.2 secs
Computing kpt #: 152
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 720.3 secs
Computing kpt #: 153
total cpu time spent up to now is 724.5 secs
Computing kpt #: 154
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 730.9 secs
Computing kpt #: 155
total cpu time spent up to now is 735.1 secs
Computing kpt #: 156
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 743.4 secs
Computing kpt #: 157
total cpu time spent up to now is 747.2 secs
Computing kpt #: 158
total cpu time spent up to now is 750.5 secs
Computing kpt #: 159
total cpu time spent up to now is 753.4 secs
Computing kpt #: 160
total cpu time spent up to now is 756.6 secs
Computing kpt #: 161
total cpu time spent up to now is 759.6 secs
Computing kpt #: 162
total cpu time spent up to now is 763.8 secs
Computing kpt #: 163
total cpu time spent up to now is 767.1 secs
Computing kpt #: 164
total cpu time spent up to now is 772.0 secs
Computing kpt #: 165
total cpu time spent up to now is 775.2 secs
Computing kpt #: 166
total cpu time spent up to now is 778.0 secs
Computing kpt #: 167
total cpu time spent up to now is 781.3 secs
Computing kpt #: 168
total cpu time spent up to now is 785.3 secs
Computing kpt #: 169
total cpu time spent up to now is 791.0 secs
Computing kpt #: 170
total cpu time spent up to now is 793.6 secs
Computing kpt #: 171
total cpu time spent up to now is 797.0 secs
Computing kpt #: 172
total cpu time spent up to now is 800.1 secs
Computing kpt #: 173
total cpu time spent up to now is 803.8 secs
Computing kpt #: 174
total cpu time spent up to now is 807.8 secs
Computing kpt #: 175
total cpu time spent up to now is 813.8 secs
Computing kpt #: 176
total cpu time spent up to now is 819.3 secs
Computing kpt #: 177
total cpu time spent up to now is 823.4 secs
Computing kpt #: 178
total cpu time spent up to now is 826.9 secs
Computing kpt #: 179
total cpu time spent up to now is 831.1 secs
Computing kpt #: 180
total cpu time spent up to now is 834.1 secs
Computing kpt #: 181
total cpu time spent up to now is 837.3 secs
Computing kpt #: 182
total cpu time spent up to now is 839.9 secs
Computing kpt #: 183
total cpu time spent up to now is 842.8 secs
Computing kpt #: 184
total cpu time spent up to now is 846.2 secs
Computing kpt #: 185
total cpu time spent up to now is 851.4 secs
Computing kpt #: 186
total cpu time spent up to now is 857.0 secs
Computing kpt #: 187
total cpu time spent up to now is 861.1 secs
Computing kpt #: 188
total cpu time spent up to now is 865.5 secs
Computing kpt #: 189
total cpu time spent up to now is 869.2 secs
Computing kpt #: 190
total cpu time spent up to now is 872.7 secs
Computing kpt #: 191
total cpu time spent up to now is 875.8 secs
Computing kpt #: 192
total cpu time spent up to now is 880.4 secs
Computing kpt #: 193
total cpu time spent up to now is 885.3 secs
Computing kpt #: 194
total cpu time spent up to now is 887.8 secs
Computing kpt #: 195
total cpu time spent up to now is 890.4 secs
Computing kpt #: 196
total cpu time spent up to now is 894.1 secs
Computing kpt #: 197
total cpu time spent up to now is 897.3 secs
Computing kpt #: 198
total cpu time spent up to now is 900.9 secs
Computing kpt #: 199
total cpu time spent up to now is 905.1 secs
Computing kpt #: 200
total cpu time spent up to now is 908.4 secs
Computing kpt #: 201
total cpu time spent up to now is 911.8 secs
Computing kpt #: 202
total cpu time spent up to now is 915.8 secs
Computing kpt #: 203
total cpu time spent up to now is 920.5 secs
Computing kpt #: 204
total cpu time spent up to now is 926.8 secs
Computing kpt #: 205
total cpu time spent up to now is 930.7 secs
Computing kpt #: 206
total cpu time spent up to now is 934.4 secs
Computing kpt #: 207
total cpu time spent up to now is 938.8 secs
Computing kpt #: 208
total cpu time spent up to now is 943.2 secs
Computing kpt #: 209
total cpu time spent up to now is 947.0 secs
Computing kpt #: 210
total cpu time spent up to now is 950.4 secs
Computing kpt #: 211
total cpu time spent up to now is 953.3 secs
Computing kpt #: 212
total cpu time spent up to now is 958.0 secs
Computing kpt #: 213
total cpu time spent up to now is 961.0 secs
Computing kpt #: 214
total cpu time spent up to now is 963.7 secs
Computing kpt #: 215
total cpu time spent up to now is 967.4 secs
Computing kpt #: 216
total cpu time spent up to now is 970.4 secs
Computing kpt #: 217
total cpu time spent up to now is 973.3 secs
Computing kpt #: 218
total cpu time spent up to now is 976.6 secs
Computing kpt #: 219
total cpu time spent up to now is 979.9 secs
Computing kpt #: 220
total cpu time spent up to now is 983.5 secs
Computing kpt #: 221
total cpu time spent up to now is 986.6 secs
Computing kpt #: 222
total cpu time spent up to now is 989.3 secs
Computing kpt #: 223
total cpu time spent up to now is 992.8 secs
Computing kpt #: 224
total cpu time spent up to now is 996.1 secs
Computing kpt #: 225
total cpu time spent up to now is 999.2 secs
Computing kpt #: 226
total cpu time spent up to now is 1002.9 secs
Computing kpt #: 227
total cpu time spent up to now is 1005.6 secs
Computing kpt #: 228
total cpu time spent up to now is 1008.4 secs
Computing kpt #: 229
total cpu time spent up to now is 1011.2 secs
Computing kpt #: 230
total cpu time spent up to now is 1014.5 secs
Computing kpt #: 231
total cpu time spent up to now is 1018.0 secs
Computing kpt #: 232
total cpu time spent up to now is 1020.7 secs
Computing kpt #: 233
total cpu time spent up to now is 1023.6 secs
Computing kpt #: 234
total cpu time spent up to now is 1026.6 secs
Computing kpt #: 235
total cpu time spent up to now is 1031.5 secs
Computing kpt #: 236
total cpu time spent up to now is 1034.6 secs
Computing kpt #: 237
total cpu time spent up to now is 1037.7 secs
Computing kpt #: 238
total cpu time spent up to now is 1040.9 secs
Computing kpt #: 239
total cpu time spent up to now is 1044.4 secs
Computing kpt #: 240
total cpu time spent up to now is 1048.8 secs
Computing kpt #: 241
total cpu time spent up to now is 1054.1 secs
Computing kpt #: 242
total cpu time spent up to now is 1057.8 secs
Computing kpt #: 243
total cpu time spent up to now is 1061.8 secs
Computing kpt #: 244
total cpu time spent up to now is 1065.0 secs
Computing kpt #: 245
total cpu time spent up to now is 1068.1 secs
Computing kpt #: 246
total cpu time spent up to now is 1071.6 secs
Computing kpt #: 247
total cpu time spent up to now is 1075.4 secs
Computing kpt #: 248
total cpu time spent up to now is 1079.1 secs
Computing kpt #: 249
total cpu time spent up to now is 1083.2 secs
Computing kpt #: 250
total cpu time spent up to now is 1086.5 secs
Computing kpt #: 251
total cpu time spent up to now is 1089.8 secs
Computing kpt #: 252
total cpu time spent up to now is 1093.4 secs
Computing kpt #: 253
total cpu time spent up to now is 1097.5 secs
Computing kpt #: 254
total cpu time spent up to now is 1103.6 secs
Computing kpt #: 255
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1109.2 secs
Computing kpt #: 256
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1114.7 secs
Computing kpt #: 257
total cpu time spent up to now is 1119.2 secs
Computing kpt #: 258
total cpu time spent up to now is 1123.3 secs
Computing kpt #: 259
total cpu time spent up to now is 1126.9 secs
Computing kpt #: 260
total cpu time spent up to now is 1129.6 secs
Computing kpt #: 261
total cpu time spent up to now is 1132.5 secs
Computing kpt #: 262
total cpu time spent up to now is 1136.0 secs
Computing kpt #: 263
total cpu time spent up to now is 1140.8 secs
Computing kpt #: 264
total cpu time spent up to now is 1143.6 secs
Computing kpt #: 265
total cpu time spent up to now is 1146.1 secs
Computing kpt #: 266
total cpu time spent up to now is 1148.6 secs
Computing kpt #: 267
total cpu time spent up to now is 1151.3 secs
Computing kpt #: 268
total cpu time spent up to now is 1153.9 secs
Computing kpt #: 269
total cpu time spent up to now is 1156.8 secs
Computing kpt #: 270
total cpu time spent up to now is 1160.4 secs
Computing kpt #: 271
total cpu time spent up to now is 1163.0 secs
Computing kpt #: 272
total cpu time spent up to now is 1165.7 secs
Computing kpt #: 273
total cpu time spent up to now is 1168.6 secs
Computing kpt #: 274
total cpu time spent up to now is 1171.7 secs
Computing kpt #: 275
total cpu time spent up to now is 1174.6 secs
Computing kpt #: 276
total cpu time spent up to now is 1177.4 secs
Computing kpt #: 277
total cpu time spent up to now is 1180.4 secs
Computing kpt #: 278
total cpu time spent up to now is 1183.1 secs
Computing kpt #: 279
total cpu time spent up to now is 1185.7 secs
Computing kpt #: 280
total cpu time spent up to now is 1189.5 secs
Computing kpt #: 281
total cpu time spent up to now is 1192.7 secs
Computing kpt #: 282
total cpu time spent up to now is 1196.1 secs
Computing kpt #: 283
total cpu time spent up to now is 1200.6 secs
Computing kpt #: 284
total cpu time spent up to now is 1205.3 secs
Computing kpt #: 285
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1210.7 secs
Computing kpt #: 286
total cpu time spent up to now is 1214.7 secs
Computing kpt #: 287
total cpu time spent up to now is 1219.1 secs
Computing kpt #: 288
total cpu time spent up to now is 1221.4 secs
Computing kpt #: 289
total cpu time spent up to now is 1226.2 secs
Computing kpt #: 290
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1231.5 secs
Computing kpt #: 291
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1237.3 secs
Computing kpt #: 292
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1244.5 secs
Computing kpt #: 293
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1250.7 secs
Computing kpt #: 294
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1256.8 secs
Computing kpt #: 295
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1262.4 secs
Computing kpt #: 296
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1267.4 secs
Computing kpt #: 297
total cpu time spent up to now is 1271.1 secs
Computing kpt #: 298
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1276.5 secs
Computing kpt #: 299
total cpu time spent up to now is 1280.4 secs
Computing kpt #: 300
total cpu time spent up to now is 1284.2 secs
Computing kpt #: 301
total cpu time spent up to now is 1286.7 secs
Computing kpt #: 302
total cpu time spent up to now is 1289.2 secs
Computing kpt #: 303
total cpu time spent up to now is 1292.9 secs
Computing kpt #: 304
total cpu time spent up to now is 1296.6 secs
Computing kpt #: 305
total cpu time spent up to now is 1299.5 secs
Computing kpt #: 306
total cpu time spent up to now is 1302.2 secs
Computing kpt #: 307
total cpu time spent up to now is 1305.1 secs
Computing kpt #: 308
total cpu time spent up to now is 1308.7 secs
Computing kpt #: 309
total cpu time spent up to now is 1311.3 secs
Computing kpt #: 310
total cpu time spent up to now is 1315.0 secs
Computing kpt #: 311
total cpu time spent up to now is 1318.9 secs
Computing kpt #: 312
total cpu time spent up to now is 1321.5 secs
Computing kpt #: 313
total cpu time spent up to now is 1324.1 secs
Computing kpt #: 314
total cpu time spent up to now is 1327.2 secs
Computing kpt #: 315
total cpu time spent up to now is 1331.3 secs
Computing kpt #: 316
total cpu time spent up to now is 1333.8 secs
Computing kpt #: 317
total cpu time spent up to now is 1336.3 secs
Computing kpt #: 318
total cpu time spent up to now is 1338.6 secs
Computing kpt #: 319
total cpu time spent up to now is 1340.9 secs
Computing kpt #: 320
total cpu time spent up to now is 1343.4 secs
Computing kpt #: 321
total cpu time spent up to now is 1347.0 secs
Computing kpt #: 322
total cpu time spent up to now is 1350.6 secs
Computing kpt #: 323
total cpu time spent up to now is 1355.8 secs
Computing kpt #: 324
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1361.1 secs
Computing kpt #: 325
total cpu time spent up to now is 1364.8 secs
Computing kpt #: 326
total cpu time spent up to now is 1368.0 secs
Computing kpt #: 327
total cpu time spent up to now is 1372.2 secs
Computing kpt #: 328
total cpu time spent up to now is 1375.7 secs
Computing kpt #: 329
total cpu time spent up to now is 1378.5 secs
Computing kpt #: 330
total cpu time spent up to now is 1382.6 secs
Computing kpt #: 331
total cpu time spent up to now is 1385.6 secs
Computing kpt #: 332
total cpu time spent up to now is 1388.3 secs
Computing kpt #: 333
total cpu time spent up to now is 1390.8 secs
Computing kpt #: 334
total cpu time spent up to now is 1395.0 secs
Computing kpt #: 335
total cpu time spent up to now is 1398.6 secs
Computing kpt #: 336
total cpu time spent up to now is 1401.2 secs
Computing kpt #: 337
total cpu time spent up to now is 1405.2 secs
Computing kpt #: 338
total cpu time spent up to now is 1407.7 secs
Computing kpt #: 339
total cpu time spent up to now is 1412.3 secs
Computing kpt #: 340
total cpu time spent up to now is 1416.1 secs
Computing kpt #: 341
total cpu time spent up to now is 1419.4 secs
Computing kpt #: 342
total cpu time spent up to now is 1423.1 secs
Computing kpt #: 343
total cpu time spent up to now is 1429.1 secs
Computing kpt #: 344
total cpu time spent up to now is 1433.0 secs
Computing kpt #: 345
total cpu time spent up to now is 1436.3 secs
Computing kpt #: 346
total cpu time spent up to now is 1441.6 secs
Computing kpt #: 347
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1446.7 secs
Computing kpt #: 348
total cpu time spent up to now is 1450.2 secs
Computing kpt #: 349
total cpu time spent up to now is 1454.3 secs
Computing kpt #: 350
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1460.6 secs
Computing kpt #: 351
total cpu time spent up to now is 1464.2 secs
Computing kpt #: 352
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1470.1 secs
Computing kpt #: 353
total cpu time spent up to now is 1473.6 secs
Computing kpt #: 354
total cpu time spent up to now is 1478.5 secs
Computing kpt #: 355
total cpu time spent up to now is 1482.9 secs
Computing kpt #: 356
total cpu time spent up to now is 1486.5 secs
Computing kpt #: 357
total cpu time spent up to now is 1490.7 secs
Computing kpt #: 358
total cpu time spent up to now is 1494.3 secs
Computing kpt #: 359
total cpu time spent up to now is 1499.4 secs
Computing kpt #: 360
total cpu time spent up to now is 1503.2 secs
Computing kpt #: 361
total cpu time spent up to now is 1507.3 secs
Computing kpt #: 362
total cpu time spent up to now is 1511.3 secs
Computing kpt #: 363
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1516.9 secs
Computing kpt #: 364
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1522.9 secs
Computing kpt #: 365
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1528.6 secs
Computing kpt #: 366
total cpu time spent up to now is 1534.3 secs
Computing kpt #: 367
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1540.7 secs
Computing kpt #: 368
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1546.1 secs
Computing kpt #: 369
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1552.5 secs
Computing kpt #: 370
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1557.8 secs
Computing kpt #: 371
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1563.9 secs
Computing kpt #: 372
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1569.9 secs
Computing kpt #: 373
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1576.4 secs
Computing kpt #: 374
total cpu time spent up to now is 1578.7 secs
ethr = 2.08E-11, avg # of iterations = 58.0
total cpu time spent up to now is 1579.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 4413 PWs) bands (ev):
-14.0986 -14.0986 -13.6278 -13.6278 -10.9615 -10.9615 -9.2452 -9.2452
-9.0690 -9.0690 -9.0132 -9.0132 -3.8811 -3.8811 -3.5601 -3.5601
-3.0197 -3.0197 -0.8660 -0.8660 -0.3013 -0.3013 -0.2841 -0.2841
0.0456 0.0456 0.8176 0.8176 1.2026 1.2026 1.8770 1.8770
2.2066 2.2066 3.0232 3.0232 3.2037 3.2037 3.5019 3.5019
3.5264 3.5264 4.1588 4.1588 4.4360 4.4360 5.2538 5.2538
10.1901 10.1901 11.5863 11.5863 11.7840 11.7840 12.5786 12.5786
13.0578 13.0578
k = 0.0086 0.0140-0.0000 ( 4427 PWs) bands (ev):
-14.0984 -14.0984 -13.6279 -13.6279 -10.9609 -10.9609 -9.2616 -9.2594
-9.0569 -9.0542 -9.0129 -9.0126 -3.8846 -3.8845 -3.5546 -3.5541
-3.0189 -3.0187 -0.8662 -0.8656 -0.3006 -0.3005 -0.2853 -0.2849
0.0413 0.0425 0.8225 0.8243 1.2013 1.2020 1.8751 1.8761
2.2064 2.2068 3.0207 3.0213 3.2040 3.2040 3.4970 3.5039
3.5214 3.5282 4.1591 4.1592 4.4351 4.4354 5.2527 5.2530
10.1931 10.1931 11.5885 11.5889 11.7841 11.7845 12.5772 12.5785
13.0571 13.0592
k = 0.0173 0.0280-0.0000 ( 4427 PWs) bands (ev):
-14.0976 -14.0976 -13.6279 -13.6279 -10.9590 -10.9589 -9.2991 -9.2959
-9.0265 -9.0221 -9.0116 -9.0112 -3.8944 -3.8942 -3.5382 -3.5373
-3.0162 -3.0158 -0.8663 -0.8651 -0.2986 -0.2983 -0.2883 -0.2875
0.0303 0.0326 0.8388 0.8423 1.1980 1.1995 1.8705 1.8726
2.2064 2.2071 3.0140 3.0151 3.2051 3.2051 3.4887 3.5023
3.5139 3.5274 4.1599 4.1601 4.4329 4.4335 5.2499 5.2506
10.2022 10.2022 11.5953 11.5961 11.7849 11.7857 12.5745 12.5771
13.0570 13.0610
k = 0.0259 0.0419-0.0000 ( 4419 PWs) bands (ev):
-14.0964 -14.0964 -13.6281 -13.6281 -10.9557 -10.9557 -9.3467 -9.3431
-9.0100 -9.0090 -8.9885 -8.9837 -3.9085 -3.9083 -3.5129 -3.5116
-3.0116 -3.0110 -0.8664 -0.8646 -0.2955 -0.2950 -0.2930 -0.2919
0.0141 0.0172 0.8652 0.8702 1.1928 1.1950 1.8632 1.8664
2.2063 2.2074 3.0031 3.0049 3.2068 3.2069 3.4763 3.4928
3.5082 3.5245 4.1613 4.1616 4.4292 4.4301 5.2455 5.2465
10.2172 10.2172 11.6067 11.6078 11.7864 11.7876 12.5709 12.5747
13.0568 13.0625
k = 0.0345 0.0559-0.0000 ( 4423 PWs) bands (ev):
-14.0947 -14.0947 -13.6283 -13.6283 -10.9512 -10.9511 -9.3993 -9.3957
-9.0070 -9.0058 -8.9492 -8.9439 -3.9249 -3.9248 -3.4807 -3.4791
-3.0052 -3.0044 -0.8669 -0.8645 -0.3000 -0.2984 -0.2912 -0.2907
-0.0050 -0.0013 0.9002 0.9064 1.1856 1.1886 1.8533 1.8574
2.2063 2.2078 2.9886 2.9909 3.2093 3.2094 3.4592 3.4751
3.5046 3.5203 4.1634 4.1638 4.4240 4.4252 5.2395 5.2408
10.2381 10.2381 11.6225 11.6240 11.7885 11.7900 12.5669 12.5716
13.0554 13.0625
k = 0.0432 0.0699-0.0000 ( 4439 PWs) bands (ev):
-14.0925 -14.0925 -13.6286 -13.6286 -10.9454 -10.9453 -9.4550 -9.4515
-9.0034 -9.0019 -8.9105 -8.9048 -3.9420 -3.9420 -3.4433 -3.4415
-2.9969 -2.9959 -0.8682 -0.8651 -0.3087 -0.3067 -0.2867 -0.2860
-0.0246 -0.0206 0.9419 0.9492 1.1765 1.1801 1.8407 1.8457
2.2060 2.2080 2.9708 2.9736 3.2126 3.2127 3.4371 3.4517
3.5006 3.5150 4.1660 4.1665 4.4172 4.4187 5.2321 5.2338
10.2646 10.2647 11.6423 11.6442 11.7910 11.7930 12.5629 12.5685
13.0518 13.0600
k = 0.0518 0.0839-0.0000 ( 4445 PWs) bands (ev):
-14.0899 -14.0898 -13.6289 -13.6289 -10.9382 -10.9381 -9.5128 -9.5094
-8.9989 -8.9971 -8.8733 -8.8673 -3.9588 -3.9587 -3.4020 -3.3999
-2.9867 -2.9855 -0.8708 -0.8670 -0.3193 -0.3170 -0.2823 -0.2814
-0.0420 -0.0378 0.9890 0.9971 1.1654 1.1697 1.8254 1.8313
2.2055 2.2081 2.9502 2.9536 3.2166 3.2168 3.4099 3.4233
3.4956 3.5089 4.1692 4.1698 4.4087 4.4104 5.2235 5.2255
10.2966 10.2967 11.6660 11.6683 11.7940 11.7964 12.5597 12.5659
13.0450 13.0538
k = 0.0604 0.0979-0.0000 ( 4449 PWs) bands (ev):
-14.0867 -14.0867 -13.6292 -13.6292 -10.9298 -10.9296 -9.5720 -9.5688
-8.9936 -8.9916 -8.8382 -8.8320 -3.9744 -3.9741 -3.3577 -3.3555
-2.9747 -2.9733 -0.8752 -0.8707 -0.3320 -0.3293 -0.2787 -0.2777
-0.0546 -0.0505 1.0401 1.0488 1.1523 1.1573 1.8074 1.8142
2.2047 2.2079 2.9275 2.9315 3.2215 3.2217 3.3777 3.3900
3.4898 3.5021 4.1730 4.1737 4.3983 4.4001 5.2138 5.2162
10.3337 10.3339 11.6932 11.6959 11.7973 11.8000 12.5578 12.5644
13.0346 13.0437
k = 0.0691 0.1118-0.0000 ( 4449 PWs) bands (ev):
-14.0832 -14.0831 -13.6297 -13.6297 -10.9200 -10.9198 -9.6324 -9.6293
-8.9875 -8.9852 -8.8056 -8.7991 -3.9882 -3.9878 -3.3111 -3.3087
-2.9608 -2.9593 -0.8821 -0.8769 -0.3467 -0.3436 -0.2766 -0.2754
-0.0604 -0.0565 1.0940 1.1032 1.1372 1.1427 1.7868 1.7942
2.2035 2.2073 2.9032 2.9078 3.2271 3.2274 3.3407 3.3520
3.4829 3.4944 4.1775 4.1782 4.3859 4.3878 5.2034 5.2060
10.3758 10.3759 11.7235 11.7266 11.8008 11.8039 12.5578 12.5647
13.0205 13.0297
k = 0.0777 0.1258-0.0000 ( 4445 PWs) bands (ev):
-14.0792 -14.0791 -13.6301 -13.6301 -10.9090 -10.9088 -9.6936 -9.6907
-8.9807 -8.9781 -8.7756 -8.7689 -3.9999 -3.9993 -3.2627 -3.2602
-2.9452 -2.9434 -0.8920 -0.8860 -0.3635 -0.3600 -0.2757 -0.2744
-0.0582 -0.0544 1.1197 1.1259 1.1501 1.1600 1.7635 1.7716
2.2016 2.2062 2.8779 2.8831 3.2334 3.2341 3.2996 3.3098
3.4751 3.4860 4.1825 4.1834 4.3712 4.3733 5.1923 5.1952
10.4224 10.4226 11.7567 11.7601 11.8043 11.8078 12.5603 12.5673
13.0033 13.0123
k = 0.0863 0.1398-0.0000 ( 4449 PWs) bands (ev):
-14.0747 -14.0747 -13.6307 -13.6307 -10.8966 -10.8964 -9.7554 -9.7527
-8.9731 -8.9703 -8.7485 -8.7415 -4.0093 -4.0086 -3.2129 -3.2103
-2.9276 -2.9257 -0.9054 -0.8987 -0.3825 -0.3786 -0.2751 -0.2738
-0.0478 -0.0442 1.1003 1.1071 1.2073 1.2176 1.7375 1.7461
2.1992 2.2045 2.8522 2.8579 3.2377 3.2413 3.2573 3.2641
3.4664 3.4768 4.1882 4.1892 4.3542 4.3564 5.1807 5.1839
10.4732 10.4735 11.7922 11.7961 11.8077 11.8116 12.5656 12.5727
12.9836 12.9923
k = 0.0950 0.1538-0.0000 ( 4443 PWs) bands (ev):
-14.0699 -14.0699 -13.6312 -13.6312 -10.8829 -10.8827 -9.8177 -9.8151
-8.9648 -8.9617 -8.7242 -8.7171 -4.0163 -4.0154 -3.1621 -3.1594
-2.9083 -2.9062 -0.9224 -0.9152 -0.4037 -0.3994 -0.2735 -0.2722
-0.0299 -0.0263 1.0787 1.0860 1.2654 1.2760 1.7089 1.7180
2.1960 2.2022 2.8266 2.8329 3.2022 3.2131 3.2513 3.2524
3.4567 3.4668 4.1946 4.1956 4.3348 4.3370 5.1687 5.1722
10.5279 10.5283 11.8106 11.8151 11.8301 11.8341 12.5743 12.5813
12.9621 12.9705
k = 0.1036 0.1678-0.0000 ( 4451 PWs) bands (ev):
-14.0647 -14.0647 -13.6318 -13.6318 -10.8679 -10.8676 -9.8802 -9.8777
-8.9558 -8.9525 -8.7028 -8.6956 -4.0208 -4.0198 -3.1105 -3.1077
-2.8872 -2.8849 -0.9431 -0.9353 -0.4272 -0.4225 -0.2696 -0.2683
-0.0053 -0.0018 1.0547 1.0625 1.3238 1.3347 1.6777 1.6873
2.1920 2.1991 2.8014 2.8083 3.1506 3.1606 3.2609 3.2615
3.4462 3.4560 4.2016 4.2027 4.3127 4.3150 5.1564 5.1602
10.5861 10.5866 11.8133 11.8182 11.8696 11.8741 12.5864 12.5932
12.9397 12.9477
k = 0.1122 0.1817-0.0000 ( 4445 PWs) bands (ev):
-14.0592 -14.0591 -13.6325 -13.6325 -10.8516 -10.8513 -9.9427 -9.9405
-8.9462 -8.9426 -8.6844 -8.6770 -4.0229 -4.0217 -3.0584 -3.0556
-2.8643 -2.8618 -0.9671 -0.9589 -0.4530 -0.4479 -0.2625 -0.2614
0.0249 0.0285 1.0284 1.0367 1.3821 1.3932 1.6440 1.6540
2.1873 2.1953 2.7770 2.7844 3.0960 3.1056 3.2719 3.2724
3.4348 3.4444 4.2093 4.2105 4.2882 4.2904 5.1438 5.1479
10.6473 10.6479 11.8154 11.8207 11.9109 11.9157 12.6022 12.6087
12.9170 12.9247
k = 0.1209 0.1957-0.0000 ( 4441 PWs) bands (ev):
-14.0533 -14.0532 -13.6332 -13.6332 -10.8340 -10.8336 -10.0053 -10.0032
-8.9360 -8.9322 -8.6690 -8.6615 -4.0226 -4.0213 -3.0061 -3.0032
-2.8397 -2.8370 -0.9939 -0.9853 -0.4812 -0.4757 -0.2520 -0.2509
0.0603 0.0640 0.9996 1.0083 1.4399 1.4513 1.6080 1.6184
2.1818 2.1906 2.7534 2.7613 3.0397 3.0489 3.2842 3.2847
3.4227 3.4321 4.2177 4.2189 4.2610 4.2633 5.1310 5.1353
10.7113 10.7120 11.8167 11.8225 11.9537 11.9588 12.6214 12.6274
12.8949 12.9021
k = 0.1295 0.2097-0.0000 ( 4445 PWs) bands (ev):
-14.0471 -14.0470 -13.6339 -13.6339 -10.8150 -10.8146 -10.0677 -10.0657
-8.9253 -8.9211 -8.6565 -8.6488 -4.0200 -4.0186 -2.9536 -2.9507
-2.8133 -2.8104 -1.0229 -1.0141 -0.5118 -0.5060 -0.2380 -0.2368
0.1003 0.1042 0.9682 0.9773 1.4970 1.5086 1.5700 1.5807
2.1755 2.1852 2.7305 2.7388 2.9826 2.9916 3.2978 3.2983
3.4098 3.4190 4.2267 4.2278 4.2316 4.2336 5.1178 5.1224
10.7776 10.7784 11.8173 11.8235 11.9979 12.0032 12.6435 12.6490
12.8743 12.8810
k = 0.1381 0.2237-0.0000 ( 4455 PWs) bands (ev):
-14.0406 -14.0405 -13.6347 -13.6347 -10.7947 -10.7943 -10.1298 -10.1280
-8.9140 -8.9096 -8.6468 -8.6391 -4.0153 -4.0139 -2.9013 -2.8984
-2.7851 -2.7821 -1.0535 -1.0445 -0.5449 -0.5388 -0.2205 -0.2193
0.1444 0.1486 0.9341 0.9436 1.5300 1.5410 1.5532 1.5649
2.1685 2.1790 2.7077 2.7163 2.9259 2.9348 3.3128 3.3134
3.3961 3.4053 4.1992 4.2015 4.2365 4.2379 5.1042 5.1091
10.8458 10.8467 11.8171 11.8237 12.0434 12.0490 12.6675 12.6722
12.8567 12.8627
k = 0.1468 0.2377-0.0000 ( 4459 PWs) bands (ev):
-14.0338 -14.0337 -13.6355 -13.6354 -10.7731 -10.7727 -10.1916 -10.1898
-8.9022 -8.8976 -8.6398 -8.6321 -4.0087 -4.0072 -2.8493 -2.8464
-2.7553 -2.7521 -1.0849 -1.0758 -0.5806 -0.5741 -0.1999 -0.1987
0.1925 0.1969 0.8972 0.9070 1.4886 1.4999 1.6081 1.6201
2.1609 2.1722 2.6838 2.6926 2.8715 2.8804 3.3290 3.3299
3.3820 3.3909 4.1649 4.1671 4.2470 4.2485 5.0902 5.0952
10.9155 10.9166 11.8159 11.8230 12.0901 12.0960 12.6913 12.6947
12.8445 12.8494
k = 0.1554 0.2516-0.0000 ( 4459 PWs) bands (ev):
-14.0268 -14.0267 -13.6363 -13.6362 -10.7502 -10.7497 -10.2528 -10.2512
-8.8901 -8.8852 -8.6355 -8.6277 -4.0004 -3.9989 -2.7977 -2.7949
-2.7238 -2.7204 -1.1165 -1.1074 -0.6187 -0.6118 -0.1765 -0.1752
0.2443 0.2489 0.8573 0.8674 1.4460 1.4575 1.6618 1.6738
2.1528 2.1647 2.6567 2.6655 2.8218 2.8310 3.3458 3.3476
3.3683 3.3762 4.1285 4.1306 4.2582 4.2598 5.0755 5.0808
10.9864 10.9877 11.8139 11.8214 12.1377 12.1439 12.7108 12.7124
12.8422 12.8454
k = 0.1640 0.2656-0.0000 ( 4455 PWs) bands (ev):
-14.0196 -14.0195 -13.6371 -13.6371 -10.7260 -10.7255 -10.3134 -10.3119
-8.8776 -8.8725 -8.6338 -8.6260 -3.9907 -3.9891 -2.7468 -2.7440
-2.6906 -2.6870 -1.1478 -1.1387 -0.6592 -0.6521 -0.1506 -0.1491
0.2995 0.3043 0.8144 0.8247 1.4025 1.4143 1.7139 1.7261
2.1442 2.1568 2.6238 2.6325 2.7800 2.7896 3.3479 3.3577
3.3702 3.3703 4.0900 4.0922 4.2702 4.2718 5.0603 5.0657
11.0582 11.0597 11.8111 11.8190 12.1860 12.1925 12.7211 12.7216
12.8543 12.8555
k = 0.1727 0.2796-0.0000 ( 4449 PWs) bands (ev):
-14.0122 -14.0121 -13.6379 -13.6379 -10.7004 -10.6999 -10.3734 -10.3720
-8.8648 -8.8594 -8.6344 -8.6266 -3.9797 -3.9781 -2.6966 -2.6939
-2.6559 -2.6521 -1.1784 -1.1693 -0.7022 -0.6948 -0.1224 -0.1208
0.3578 0.3629 0.7682 0.7787 1.3586 1.3706 1.7644 1.7767
2.1352 2.1483 2.5835 2.5918 2.7481 2.7582 3.3331 3.3430
3.3901 3.3902 4.0498 4.0519 4.2830 4.2846 5.0442 5.0498
11.1305 11.1322 11.8076 11.8159 12.2342 12.2410 12.7217 12.7236
12.8799 12.8800
k = 0.1813 0.2936-0.0000 ( 4453 PWs) bands (ev):
-14.0047 -14.0046 -13.6387 -13.6387 -10.6736 -10.6730 -10.4326 -10.4313
-8.8518 -8.8462 -8.6372 -8.6295 -3.9678 -3.9662 -2.6474 -2.6447
-2.6195 -2.6156 -1.2077 -1.1987 -0.7475 -0.7398 -0.0923 -0.0904
0.4190 0.4244 0.7187 0.7293 1.3146 1.3268 1.8132 1.8257
2.1259 2.1395 2.5366 2.5447 2.7254 2.7358 3.3166 3.3265
3.4130 3.4131 4.0080 4.0100 4.2965 4.2982 5.0273 5.0331
11.2031 11.2050 11.8034 11.8121 12.2809 12.2882 12.7200 12.7224
12.9142 12.9148
k = 0.1900 0.3075-0.0000 ( 4449 PWs) bands (ev):
-13.9970 -13.9969 -13.6396 -13.6395 -10.6455 -10.6448 -10.4909 -10.4897
-8.8386 -8.8328 -8.6422 -8.6344 -3.9551 -3.9535 -2.5992 -2.5967
-2.5816 -2.5775 -1.2355 -1.2265 -0.7951 -0.7870 -0.0603 -0.0583
0.4828 0.4886 0.6658 0.6765 1.2708 1.2831 1.8603 1.8728
2.1164 2.1304 2.4859 2.4939 2.7093 2.7200 3.2996 3.3094
3.4377 3.4380 3.9647 3.9667 4.3109 4.3126 5.0095 5.0154
11.2757 11.2778 11.7987 11.8078 12.3243 12.3320 12.7214 12.7237
12.9540 12.9546
k = 0.1986 0.3215-0.0000 ( 4441 PWs) bands (ev):
-13.9892 -13.9891 -13.6404 -13.6404 -10.6160 -10.6153 -10.5483 -10.5472
-8.8254 -8.8194 -8.6490 -8.6413 -3.9420 -3.9405 -2.5523 -2.5498
-2.5423 -2.5380 -1.2613 -1.2525 -0.8446 -0.8363 -0.0267 -0.0245
0.5491 0.5551 0.6095 0.6201 1.2275 1.2400 1.9056 1.9182
2.1068 2.1211 2.4340 2.4419 2.6976 2.7084 3.2821 3.2920
3.4643 3.4646 3.9202 3.9221 4.3260 4.3278 4.9908 4.9968
11.3480 11.3504 11.7937 11.8032 12.3616 12.3697 12.7303 12.7323
12.9968 12.9971
k = 0.2072 0.3355-0.0000 ( 4445 PWs) bands (ev):
-13.9814 -13.9813 -13.6412 -13.6412 -10.6048 -10.6037 -10.5853 -10.5845
-8.8122 -8.8060 -8.6576 -8.6500 -3.9288 -3.9272 -2.5067 -2.5042
-2.5014 -2.4970 -1.2849 -1.2762 -0.8959 -0.8875 0.0082 0.0106
0.5496 0.5602 0.6175 0.6238 1.1850 1.1976 1.9491 1.9619
2.0969 2.1114 2.3823 2.3903 2.6888 2.6997 3.2642 3.2743
3.4926 3.4930 3.8746 3.8765 4.3420 4.3437 4.9711 4.9772
11.4200 11.4226 11.7885 11.7984 12.3898 12.3982 12.7502 12.7519
13.0410 13.0411
k = 0.2159 0.3495-0.0000 ( 4449 PWs) bands (ev):
-13.9736 -13.9735 -13.6420 -13.6420 -10.6601 -10.6592 -10.5533 -10.5525
-8.7991 -8.7927 -8.6678 -8.6603 -3.9155 -3.9140 -2.4625 -2.4601
-2.4592 -2.4547 -1.3061 -1.2976 -0.9489 -0.9402 0.0444 0.0470
0.4864 0.4969 0.6878 0.6944 1.1434 1.1560 1.9910 2.0038
2.0867 2.1015 2.3322 2.3403 2.6818 2.6928 3.2463 3.2564
3.5226 3.5232 3.8281 3.8299 4.3587 4.3605 4.9505 4.9567
11.4915 11.4943 11.7832 11.7935 12.4075 12.4159 12.7828 12.7843
13.0854 13.0857
k = 0.2245 0.3635-0.0000 ( 4447 PWs) bands (ev):
-13.9657 -13.9656 -13.6427 -13.6427 -10.7144 -10.7135 -10.5201 -10.5192
-8.7862 -8.7796 -8.6794 -8.6720 -3.9026 -3.9011 -2.4197 -2.4174
-2.4158 -2.4112 -1.3248 -1.3164 -1.0031 -0.9943 0.0815 0.0843
0.4198 0.4302 0.7597 0.7666 1.1028 1.1155 2.0311 2.0441
2.0761 2.0910 2.2845 2.2927 2.6762 2.6871 3.2282 3.2384
3.5544 3.5550 3.7808 3.7825 4.3763 4.3781 4.9289 4.9352
11.5622 11.5653 11.7781 11.7888 12.4152 12.4234 12.8274 12.8289
13.1289 13.1294
k = 0.2331 0.3774-0.0000 ( 4447 PWs) bands (ev):
-13.9579 -13.9578 -13.6435 -13.6435 -10.7674 -10.7666 -10.4857 -10.4847
-8.7735 -8.7668 -8.6922 -8.6849 -3.8902 -3.8888 -2.3784 -2.3763
-2.3713 -2.3666 -1.3407 -1.3325 -1.0583 -1.0493 0.1194 0.1225
0.3501 0.3603 0.8329 0.8401 1.0633 1.0760 2.0638 2.0707
2.0795 2.0828 2.2400 2.2483 2.6713 2.6821 3.2101 3.2205
3.5878 3.5886 3.7329 3.7345 4.3946 4.3966 4.9064 4.9128
11.6319 11.6353 11.7732 11.7842 12.4151 12.4231 12.8811 12.8827
13.1136 13.1253
k = 0.2418 0.3914-0.0000 ( 4449 PWs) bands (ev):
-13.9501 -13.9500 -13.6442 -13.6442 -10.8192 -10.8185 -10.4500 -10.4490
-8.7613 -8.7544 -8.7061 -8.6990 -3.8785 -3.8771 -2.3388 -2.3368
-2.3258 -2.3209 -1.3538 -1.3457 -1.1140 -1.1049 0.1580 0.1612
0.2775 0.2874 0.9071 0.9147 1.0248 1.0376 2.0520 2.0667
2.1071 2.1200 2.1998 2.2079 2.6668 2.6775 3.1922 3.2027
3.6228 3.6237 3.6846 3.6861 4.4138 4.4158 4.8830 4.8895
11.7005 11.7042 11.7686 11.7801 12.4099 12.4175 12.9409 12.9424
13.0727 13.0837
k = 0.2504 0.4054-0.0000 ( 4449 PWs) bands (ev):
-13.9424 -13.9423 -13.6448 -13.6448 -10.8697 -10.8690 -10.4132 -10.4121
-8.7496 -8.7425 -8.7209 -8.7140 -3.8676 -3.8662 -2.3009 -2.2991
-2.2793 -2.2743 -1.3639 -1.3561 -1.1699 -1.1606 0.1969 0.2004
0.2021 0.2117 0.9819 0.9873 0.9900 1.0004 2.0375 2.0514
2.1428 2.1553 2.1655 2.1725 2.6623 2.6728 3.1746 3.1852
3.6360 3.6372 3.6595 3.6606 4.4338 4.4358 4.8589 4.8654
11.7640 11.7674 11.7720 11.7765 12.4016 12.4089 13.0036 13.0050
13.0255 13.0359
k = 0.2590 0.4194-0.0000 ( 4449 PWs) bands (ev):
-13.9349 -13.9348 -13.6454 -13.6454 -10.9189 -10.9183 -10.3752 -10.3740
-8.7385 -8.7365 -8.7313 -8.7297 -3.8577 -3.8564 -2.2648 -2.2631
-2.2322 -2.2271 -1.3713 -1.3636 -1.2253 -1.2159 0.1243 0.1336
0.2360 0.2397 0.9507 0.9634 1.0578 1.0658 2.0204 2.0326
2.1362 2.1424 2.1779 2.1910 2.6576 2.6679 3.1574 3.1681
3.5874 3.5885 3.6975 3.6987 4.4545 4.4566 4.8341 4.8406
11.7607 11.7730 11.8327 11.8370 12.3921 12.3992 12.9731 12.9829
13.0666 13.0678
k = 0.2677 0.4334-0.0000 ( 4447 PWs) bands (ev):
-13.9274 -13.9273 -13.6459 -13.6459 -10.9667 -10.9661 -10.3361 -10.3348
-8.7527 -8.7461 -8.7281 -8.7208 -3.8489 -3.8476 -2.2304 -2.2288
-2.1847 -2.1796 -1.3757 -1.3683 -1.2797 -1.2703 0.0443 0.0533
0.2750 0.2789 0.9148 0.9275 1.1334 1.1417 2.0003 2.0102
2.1147 2.1189 2.2114 2.2246 2.6524 2.6623 3.1407 3.1516
3.5388 3.5397 3.7370 3.7383 4.4760 4.4781 4.8086 4.8151
11.7577 11.7703 11.8948 11.8993 12.3831 12.3899 12.9169 12.9261
13.1266 13.1275
k = 0.2763 0.4473-0.0000 ( 4455 PWs) bands (ev):
-13.9202 -13.9201 -13.6464 -13.6464 -11.0131 -11.0125 -10.2959 -10.2946
-8.7694 -8.7630 -8.7186 -8.7111 -3.8412 -3.8400 -2.1977 -2.1963
-2.1373 -2.1321 -1.3776 -1.3702 -1.3323 -1.3229 -0.0374 -0.0288
0.3138 0.3178 0.8795 0.8921 1.2090 1.2175 1.9777 1.9852
2.0988 2.1011 2.2442 2.2575 2.6465 2.6559 3.1248 3.1357
3.4905 3.4911 3.7778 3.7793 4.4982 4.5004 4.7827 4.7891
11.7551 11.7681 11.9527 11.9574 12.3765 12.3830 12.8580 12.8667
13.1805 13.1810
k = 0.2849 0.4613-0.0000 ( 4455 PWs) bands (ev):
-13.9131 -13.9130 -13.6467 -13.6467 -11.0580 -11.0575 -10.2547 -10.2532
-8.7864 -8.7802 -8.7100 -8.7024 -3.8348 -3.8336 -2.1668 -2.1655
-2.0906 -2.0854 -1.3846 -1.3744 -1.3729 -1.3694 -0.1207 -0.1124
0.3520 0.3562 0.8445 0.8572 1.2841 1.2929 1.9538 1.9594
2.0871 2.0878 2.2762 2.2895 2.6395 2.6485 3.1097 3.1207
3.4426 3.4430 3.8199 3.8215 4.5210 4.5233 4.7563 4.7627
11.7531 11.7664 12.0042 12.0091 12.3747 12.3808 12.7976 12.8058
13.2254 13.2254
k = 0.2936 0.4753-0.0000 ( 4456 PWs) bands (ev):
-13.9063 -13.9062 -13.6470 -13.6470 -11.1014 -11.1009 -10.2124 -10.2109
-8.8037 -8.7976 -8.7025 -8.6948 -3.8296 -3.8284 -2.1375 -2.1363
-2.0456 -2.0405 -1.4292 -1.4189 -1.3724 -1.3662 -0.2051 -0.1972
0.3894 0.3938 0.8097 0.8223 1.3586 1.3676 1.9300 1.9341
2.0777 2.0780 2.3077 2.3210 2.6314 2.6397 3.0955 3.1066
3.3954 3.3954 3.8631 3.8649 4.5444 4.5468 4.7296 4.7360
11.7516 11.7651 12.0466 12.0511 12.3811 12.3865 12.7368 12.7445
13.2594 13.2595
k = 0.3022 0.4893-0.0000 ( 4454 PWs) bands (ev):
-13.8997 -13.8996 -13.6472 -13.6472 -11.1432 -11.1428 -10.1693 -10.1677
-8.8210 -8.8152 -8.6961 -8.6884 -3.8256 -3.8244 -2.1098 -2.1087
-2.0037 -1.9987 -1.4696 -1.4592 -1.3667 -1.3606 -0.2904 -0.2828
0.4259 0.4304 0.7749 0.7875 1.4320 1.4413 1.9071 1.9102
2.0700 2.0708 2.3386 2.3519 2.6218 2.6294 3.0825 3.0936
3.3486 3.3491 3.9074 3.9093 4.5684 4.5709 4.7028 4.7090
11.7503 11.7642 12.0766 12.0805 12.3989 12.4032 12.6764 12.6837
13.2834 13.2836
k = 0.3108 0.5033-0.0000 ( 4442 PWs) bands (ev):
-13.8933 -13.8932 -13.6473 -13.6473 -11.1835 -11.1832 -10.1252 -10.1235
-8.8384 -8.8327 -8.6911 -8.6833 -3.8228 -3.8216 -2.0837 -2.0827
-1.9672 -1.9623 -1.5018 -1.4913 -1.3588 -1.3530 -0.3762 -0.3690
0.4612 0.4658 0.7398 0.7525 1.5042 1.5136 1.8858 1.8881
2.0639 2.0649 2.3691 2.3824 2.6106 2.6174 3.0705 3.0817
3.3029 3.3040 3.9527 3.9548 4.5929 4.5955 4.6758 4.6820
11.7493 11.7633 12.0930 12.0960 12.4295 12.4325 12.6175 12.6243
13.2992 13.2994
k = 0.3195 0.5172-0.0000 ( 4442 PWs) bands (ev):
-13.8872 -13.8871 -13.6474 -13.6474 -11.2222 -11.2219 -10.0803 -10.0785
-8.8555 -8.8501 -8.6876 -8.6797 -3.8210 -3.8200 -2.0590 -2.0581
-1.9391 -1.9345 -1.5226 -1.5118 -1.3490 -1.3435 -0.4623 -0.4554
0.4951 0.4997 0.7044 0.7170 1.5747 1.5843 1.8663 1.8682
2.0591 2.0599 2.3994 2.4126 2.5978 2.6036 3.0596 3.0710
3.2584 3.2602 3.9989 4.0012 4.6177 4.6204 4.6490 4.6551
11.7481 11.7622 12.0971 12.0992 12.4713 12.4730 12.5608 12.5670
13.3086 13.3088
k = 0.3281 0.5312-0.0000 ( 4446 PWs) bands (ev):
-13.8814 -13.8814 -13.6473 -13.6473 -11.2592 -11.2589 -10.0347 -10.0328
-8.8725 -8.8673 -8.6855 -8.6777 -3.8204 -3.8193 -2.0357 -2.0349
-1.9227 -1.9182 -1.5284 -1.5175 -1.3376 -1.3324 -0.5483 -0.5418
0.5275 0.5321 0.6684 0.6810 1.6434 1.6531 1.8490 1.8505
2.0552 2.0557 2.4293 2.4425 2.5831 2.5879 3.0498 3.0615
3.2155 3.2182 4.0459 4.0483 4.6223 4.6282 4.6429 4.6457
11.7467 11.7607 12.0922 12.0935 12.5064 12.5123 12.5216 12.5224
13.3133 13.3135
k = 0.3367 0.5452-0.0000 ( 4458 PWs) bands (ev):
-13.8760 -13.8759 -13.6472 -13.6472 -11.2946 -11.2944 -9.9884 -9.9863
-8.8892 -8.8842 -8.6851 -8.6773 -3.8207 -3.8197 -2.0137 -2.0130
-1.9194 -1.9149 -1.5175 -1.5066 -1.3249 -1.3200 -0.6340 -0.6278
0.5581 0.5627 0.6316 0.6442 1.7099 1.7198 1.8339 1.8352
2.0522 2.0522 2.4591 2.4721 2.5666 2.5703 3.0408 3.0530
3.1743 3.1782 4.0935 4.0961 4.5960 4.6017 4.6682 4.6711
11.7445 11.7583 12.0813 12.0820 12.4571 12.4622 12.5756 12.5758
13.3117 13.3143
k = 0.3454 0.5592-0.0000 ( 4464 PWs) bands (ev):
-13.8708 -13.8707 -13.6469 -13.6469 -11.3283 -11.3281 -9.9414 -9.9392
-8.9054 -8.9007 -8.6865 -8.6787 -3.8218 -3.8208 -1.9930 -1.9923
-1.9275 -1.9230 -1.4914 -1.4806 -1.3111 -1.3065 -0.7190 -0.7132
0.5868 0.5903 0.5952 0.6067 1.7740 1.7838 1.8211 1.8223
2.0492 2.0498 2.4885 2.5014 2.5484 2.5509 3.0321 3.0452
3.1353 3.1409 4.1416 4.1444 4.5700 4.5757 4.6935 4.6965
11.7411 11.7546 12.0665 12.0669 12.4120 12.4162 12.6324 12.6333
13.2206 13.2291
k = 0.3454 0.5592-0.0000 ( 4464 PWs) bands (ev):
-13.8708 -13.8707 -13.6469 -13.6469 -11.3283 -11.3281 -9.9414 -9.9392
-8.9054 -8.9007 -8.6865 -8.6787 -3.8218 -3.8208 -1.9930 -1.9923
-1.9275 -1.9230 -1.4914 -1.4806 -1.3111 -1.3065 -0.7190 -0.7132
0.5868 0.5903 0.5952 0.6067 1.7740 1.7838 1.8211 1.8223
2.0492 2.0498 2.4885 2.5014 2.5484 2.5509 3.0321 3.0452
3.1353 3.1409 4.1416 4.1444 4.5700 4.5757 4.6935 4.6965
11.7411 11.7546 12.0665 12.0669 12.4120 12.4162 12.6324 12.6333
13.2206 13.2291
k = 0.3289 0.5592-0.0000 ( 4455 PWs) bands (ev):
-13.8736 -13.8736 -13.6471 -13.6471 -11.3101 -11.3098 -9.9666 -9.9645
-8.8969 -8.8920 -8.6855 -8.6776 -3.8206 -3.8196 -2.0315 -2.0306
-1.8973 -1.8937 -1.5064 -1.4955 -1.3172 -1.3124 -0.6731 -0.6671
0.5704 0.5750 0.6156 0.6282 1.7382 1.7480 1.8292 1.8306
2.0504 2.0506 2.4700 2.4829 2.5614 2.5647 3.0366 3.0492
3.1563 3.1610 4.1163 4.1189 4.5830 4.5887 4.6813 4.6842
11.7434 11.7571 12.0735 12.0744 12.4324 12.4371 12.6034 12.6039
13.2492 13.2560
k = 0.3125 0.5592-0.0000 ( 4456 PWs) bands (ev):
-13.8769 -13.8768 -13.6475 -13.6475 -11.2900 -11.2897 -9.9923 -9.9903
-8.8882 -8.8832 -8.6848 -8.6769 -3.8185 -3.8174 -2.0899 -2.0888
-1.8570 -1.8540 -1.5166 -1.5057 -1.3201 -1.3152 -0.6247 -0.6186
0.5509 0.5555 0.6397 0.6523 1.6986 1.7084 1.8399 1.8412
2.0504 2.0506 2.4488 2.4617 2.5774 2.5812 3.0408 3.0529
3.1791 3.1832 4.0912 4.0938 4.5939 4.5993 4.6724 4.6749
11.7464 11.7602 12.0777 12.0792 12.4470 12.4523 12.5782 12.5785
13.2493 13.2544
k = 0.2960 0.5592-0.0000 ( 4456 PWs) bands (ev):
-13.8804 -13.8803 -13.6480 -13.6479 -11.2681 -11.2678 -10.0188 -10.0168
-8.8793 -8.8742 -8.6844 -8.6766 -3.8153 -3.8142 -2.1537 -2.1526
-1.8215 -1.8187 -1.5220 -1.5112 -1.3189 -1.3139 -0.5746 -0.5683
0.5289 0.5335 0.6663 0.6789 1.6562 1.6660 1.8521 1.8532
2.0484 2.0488 2.4275 2.4406 2.5946 2.5986 3.0446 3.0564
3.2030 3.2067 4.0669 4.0693 4.6005 4.6049 4.6693 4.6708
11.7508 11.7645 12.0790 12.0814 12.4527 12.4583 12.5591 12.5600
13.2455 13.2501
k = 0.2796 0.5592-0.0000 ( 4450 PWs) bands (ev):
-13.8841 -13.8840 -13.6485 -13.6485 -11.2444 -11.2442 -10.0458 -10.0439
-8.8703 -8.8651 -8.6844 -8.6766 -3.8110 -3.8098 -2.2202 -2.2191
-1.7937 -1.7909 -1.5227 -1.5122 -1.3124 -1.3073 -0.5233 -0.5169
0.5048 0.5093 0.6951 0.7078 1.6114 1.6212 1.8655 1.8663
2.0437 2.0445 2.4076 2.4206 2.6122 2.6164 3.0478 3.0595
3.2272 3.2308 4.0437 4.0459 4.6010 4.6038 4.6732 4.6740
11.7569 11.7706 12.0780 12.0811 12.4469 12.4523 12.5477 12.5498
13.2454 13.2499
k = 0.2631 0.5592-0.0000 ( 4450 PWs) bands (ev):
-13.8880 -13.8879 -13.6493 -13.6492 -11.2193 -11.2189 -10.0736 -10.0717
-8.8612 -8.8558 -8.6847 -8.6769 -3.8054 -3.8042 -2.2881 -2.2872
-1.7746 -1.7717 -1.5198 -1.5099 -1.2991 -1.2940 -0.4713 -0.4650
0.4793 0.4836 0.7261 0.7388 1.5644 1.5742 1.8796 1.8802
2.0357 2.0368 2.3900 2.4028 2.6300 2.6344 3.0504 3.0620
3.2511 3.2548 4.0219 4.0239 4.5962 4.5978 4.6818 4.6837
11.7649 11.7786 12.0751 12.0788 12.4315 12.4367 12.5416 12.5448
13.2509 13.2553
k = 0.2467 0.5592-0.0000 ( 4446 PWs) bands (ev):
-13.8920 -13.8919 -13.6501 -13.6501 -11.1926 -11.1923 -10.1020 -10.1002
-8.8521 -8.8466 -8.6853 -8.6775 -3.7984 -3.7971 -2.3568 -2.3559
-1.7636 -1.7606 -1.5152 -1.5064 -1.2779 -1.2729 -0.4193 -0.4130
0.4527 0.4569 0.7592 0.7719 1.5155 1.5254 1.8931 1.8947
2.0241 2.0259 2.3755 2.3878 2.6480 2.6524 3.0522 3.0637
3.2741 3.2779 4.0019 4.0037 4.5888 4.5898 4.6934 4.6962
11.7752 11.7887 12.0707 12.0751 12.4111 12.4162 12.5360 12.5400
13.2623 13.2666
k = 0.2302 0.5592-0.0000 ( 4454 PWs) bands (ev):
-13.8960 -13.8960 -13.6510 -13.6510 -11.1646 -11.1643 -10.1310 -10.1292
-8.8429 -8.8373 -8.6862 -8.6784 -3.7899 -3.7886 -2.4255 -2.4247
-1.7590 -1.7559 -1.5110 -1.5033 -1.2490 -1.2441 -0.3679 -0.3617
0.4259 0.4299 0.7942 0.8068 1.4650 1.4748 1.9049 1.9085
2.0095 2.0126 2.3642 2.3759 2.6660 2.6704 3.0530 3.0644
3.2956 3.2996 3.9840 3.9856 4.5806 4.5815 4.7062 4.7095
11.7876 11.8010 12.0656 12.0706 12.3887 12.3939 12.5278 12.5323
13.2790 13.2832
k = 0.2138 0.5592-0.0000 ( 4454 PWs) bands (ev):
-13.9000 -13.8999 -13.6521 -13.6520 -11.1355 -11.1351 -10.1606 -10.1589
-8.8338 -8.8281 -8.6874 -8.6796 -3.7798 -3.7785 -2.4937 -2.4929
-1.7589 -1.7558 -1.5082 -1.5017 -1.2133 -1.2086 -0.3179 -0.3118
0.3998 0.4034 0.8309 0.8435 1.4129 1.4227 1.9112 1.9183
1.9948 2.0006 2.3561 2.3671 2.6838 2.6883 3.0528 3.0641
3.3152 3.3194 3.9685 3.9698 4.5725 4.5735 4.7193 4.7228
11.8024 11.8156 12.0601 12.0656 12.3657 12.3710 12.5162 12.5210
13.2997 13.3037
k = 0.1974 0.5592-0.0000 ( 4450 PWs) bands (ev):
-13.9039 -13.9039 -13.6531 -13.6531 -11.1053 -11.1048 -10.1907 -10.1891
-8.8248 -8.8190 -8.6889 -8.6812 -3.7682 -3.7668 -2.5610 -2.5602
-1.7617 -1.7587 -1.5070 -1.5015 -1.1725 -1.1679 -0.2701 -0.2644
0.3754 0.3785 0.8692 0.8818 1.3595 1.3692 1.9060 1.9165
1.9879 1.9962 2.3507 2.3610 2.7016 2.7061 3.0513 3.0625
3.3326 3.3370 3.9555 3.9567 4.5652 4.5662 4.7320 4.7356
11.8193 11.8323 12.0550 12.0609 12.3427 12.3483 12.5012 12.5061
13.3223 13.3260
k = 0.1809 0.5592-0.0000 ( 4450 PWs) bands (ev):
-13.9077 -13.9076 -13.6542 -13.6542 -11.0742 -11.0737 -10.2213 -10.2198
-8.8159 -8.8100 -8.6907 -8.6830 -3.7549 -3.7535 -2.6269 -2.6261
-1.7663 -1.7634 -1.5072 -1.5025 -1.1284 -1.1239 -0.2259 -0.2207
0.3543 0.3567 0.9091 0.9216 1.3050 1.3147 1.8866 1.8980
1.9941 2.0024 2.3476 2.3570 2.7192 2.7237 3.0485 3.0596
3.3475 3.3521 3.9452 3.9462 4.5589 4.5600 4.7439 4.7475
11.8383 11.8511 12.0506 12.0568 12.3199 12.3257 12.4832 12.4882
13.3437 13.3471
k = 0.1645 0.5592-0.0000 ( 4440 PWs) bands (ev):
-13.9113 -13.9112 -13.6553 -13.6553 -11.0424 -11.0419 -10.2523 -10.2509
-8.8071 -8.8011 -8.6928 -8.6852 -3.7400 -3.7386 -2.6910 -2.6902
-1.7719 -1.7691 -1.5082 -1.5043 -1.0823 -1.0778 -0.1871 -0.1826
0.3383 0.3399 0.9502 0.9627 1.2496 1.2592 1.8575 1.8687
2.0078 2.0151 2.3459 2.3547 2.7366 2.7411 3.0443 3.0551
3.3599 3.3647 3.9373 3.9383 4.5537 4.5548 4.7550 4.7585
11.8593 11.8719 12.0475 12.0540 12.2974 12.3035 12.4629 12.4679
13.3603 13.3635
k = 0.1480 0.5592-0.0000 ( 4433 PWs) bands (ev):
-13.9147 -13.9146 -13.6564 -13.6563 -11.0102 -11.0097 -10.2836 -10.2822
-8.7986 -8.7925 -8.6952 -8.6877 -3.7237 -3.7222 -2.7528 -2.7521
-1.7778 -1.7753 -1.5099 -1.5065 -1.0353 -1.0310 -0.1556 -0.1522
0.3299 0.3303 0.9924 1.0049 1.1935 1.2030 1.8228 1.8338
2.0243 2.0307 2.3453 2.3533 2.7538 2.7583 3.0386 3.0491
3.3700 3.3748 3.9318 3.9328 4.5496 4.5507 4.7649 4.7684
11.8819 11.8942 12.0460 12.0527 12.2752 12.2815 12.4409 12.4459
13.3687 13.3717
k = 0.1316 0.5592-0.0000 ( 4435 PWs) bands (ev):
-13.9178 -13.9177 -13.6574 -13.6574 -10.9777 -10.9772 -10.3149 -10.3136
-8.7902 -8.7840 -8.6979 -8.6905 -3.7059 -3.7045 -2.8120 -2.8113
-1.7837 -1.7814 -1.5118 -1.5089 -0.9886 -0.9845 -0.1336 -0.1313
0.3302 0.3314 1.0357 1.0480 1.1368 1.1462 1.7845 1.7955
2.0415 2.0471 2.3452 2.3525 2.7706 2.7752 3.0314 3.0415
3.3780 3.3826 3.9283 3.9293 4.5467 4.5478 4.7738 4.7771
11.9057 11.9178 12.0466 12.0534 12.2534 12.2598 12.4175 12.4226
13.3680 13.3707
k = 0.1151 0.5592-0.0000 ( 4441 PWs) bands (ev):
-13.9206 -13.9206 -13.6584 -13.6583 -10.9454 -10.9449 -10.3461 -10.3449
-8.7822 -8.7759 -8.7010 -8.6936 -3.6871 -3.6857 -2.8680 -2.8672
-1.7894 -1.7873 -1.5138 -1.5114 -0.9430 -0.9390 -0.1221 -0.1211
0.3412 0.3439 1.0795 1.0797 1.0885 1.0929 1.7439 1.7550
2.0585 2.0635 2.3453 2.3520 2.7872 2.7917 3.0229 3.0325
3.3841 3.3885 3.9265 3.9275 4.5448 4.5459 4.7815 4.7845
11.9303 11.9420 12.0497 12.0566 12.2320 12.2385 12.3932 12.3983
13.3602 13.3627
k = 0.0987 0.5592-0.0000 ( 4440 PWs) bands (ev):
-13.9232 -13.9231 -13.6593 -13.6592 -10.9136 -10.9130 -10.3767 -10.3756
-8.7744 -8.7680 -8.7043 -8.6970 -3.6676 -3.6663 -2.9202 -2.9194
-1.7946 -1.7928 -1.5156 -1.5136 -0.8994 -0.8957 -0.1209 -0.1207
0.3632 0.3672 1.0228 1.0318 1.1244 1.1366 1.7017 1.7128
2.0747 2.0791 2.3455 2.3514 2.8033 2.8078 3.0133 3.0223
3.3888 3.3928 3.9259 3.9269 4.5438 4.5448 4.7880 4.7907
11.9548 11.9661 12.0558 12.0628 12.2112 12.2177 12.3681 12.3733
13.3483 13.3507
k = 0.0822 0.5592-0.0000 ( 4435 PWs) bands (ev):
-13.9253 -13.9253 -13.6600 -13.6600 -10.8828 -10.8823 -10.4064 -10.4053
-8.7669 -8.7605 -8.7079 -8.7008 -3.6481 -3.6468 -2.9677 -2.9669
-1.7991 -1.7976 -1.5173 -1.5157 -0.8588 -0.8555 -0.1282 -0.1274
0.3944 0.3995 0.9662 0.9750 1.1694 1.1814 1.6585 1.6696
2.0895 2.0934 2.3456 2.3507 2.8189 2.8233 3.0028 3.0111
3.3923 3.3959 3.9261 3.9271 4.5435 4.5444 4.7934 4.7957
11.9782 11.9890 12.0657 12.0726 12.1912 12.1976 12.3425 12.3479
13.3350 13.3371
k = 0.0658 0.5592-0.0000 ( 4437 PWs) bands (ev):
-13.9271 -13.9271 -13.6607 -13.6607 -10.8540 -10.8535 -10.4342 -10.4333
-8.7598 -8.7534 -8.7118 -8.7048 -3.6292 -3.6281 -3.0095 -3.0088
-1.8030 -1.8017 -1.5188 -1.5175 -0.8225 -0.8195 -0.1401 -0.1389
0.4324 0.4381 0.9107 0.9191 1.2143 1.2261 1.6149 1.6259
2.1026 2.1059 2.3455 2.3499 2.8337 2.8380 2.9918 2.9993
3.3949 3.3979 3.9268 3.9276 4.5437 4.5445 4.7977 4.7996
11.9995 12.0095 12.0795 12.0863 12.1727 12.1786 12.3166 12.3221
13.3220 13.3239
k = 0.0493 0.5592-0.0000 ( 4437 PWs) bands (ev):
-13.9286 -13.9285 -13.6612 -13.6612 -10.8282 -10.8277 -10.4591 -10.4584
-8.7530 -8.7468 -8.7158 -8.7091 -3.6122 -3.6113 -3.0445 -3.0439
-1.8060 -1.8051 -1.5199 -1.5189 -0.7916 -0.7892 -0.1534 -0.1521
0.4741 0.4802 0.8573 0.8651 1.2586 1.2699 1.5718 1.5825
2.1135 2.1161 2.3455 2.3489 2.8474 2.8514 2.9812 2.9876
3.3968 3.3991 3.9277 3.9284 4.5442 4.5449 4.8010 4.8025
12.0178 12.0267 12.0964 12.1029 12.1568 12.1619 12.2910 12.2965
13.3107 13.3122
k = 0.0329 0.5592-0.0000 ( 4437 PWs) bands (ev):
-13.9296 -13.9296 -13.6616 -13.6616 -10.8071 -10.8068 -10.4794 -10.4789
-8.7468 -8.7410 -8.7197 -8.7136 -3.5983 -3.5977 -3.0712 -3.0708
-1.8081 -1.8075 -1.5207 -1.5200 -0.7677 -0.7660 -0.1652 -0.1642
0.5161 0.5217 0.8085 0.8154 1.3008 1.3110 1.5311 1.5409
2.1218 2.1236 2.3455 2.3479 2.8593 2.8626 2.9720 2.9769
3.3982 3.3998 3.9285 3.9290 4.5448 4.5452 4.8033 4.8044
12.0331 12.0403 12.1116 12.1177 12.1471 12.1511 12.2668 12.2720
13.3021 13.3030
k = 0.0164 0.5592-0.0000 ( 4438 PWs) bands (ev):
-13.9302 -13.9302 -13.6619 -13.6618 -10.7930 -10.7928 -10.4930 -10.4927
-8.7414 -8.7372 -8.7225 -8.7181 -3.5891 -3.5888 -3.0880 -3.0877
-1.8094 -1.8091 -1.5211 -1.5208 -0.7525 -0.7516 -0.1733 -0.1728
0.5519 0.5559 0.7705 0.7750 1.3372 1.3445 1.4978 1.5049
2.1271 2.1280 2.3458 2.3469 2.8681 2.8701 2.9658 2.9685
3.3992 3.4000 3.9291 3.9294 4.5453 4.5455 4.8048 4.8054
12.0448 12.0492 12.1156 12.1202 12.1507 12.1546 12.2474 12.2512
13.2967 13.2972
k = 0.0000 0.5592-0.0000 ( 4430 PWs) bands (ev):
-13.9304 -13.9304 -13.6619 -13.6619 -10.7879 -10.7879 -10.4978 -10.4978
-8.7374 -8.7374 -8.7218 -8.7218 -3.5858 -3.5858 -3.0936 -3.0936
-1.8097 -1.8097 -1.5211 -1.5211 -0.7469 -0.7469 -0.1760 -0.1760
0.5690 0.5690 0.7564 0.7564 1.3566 1.3566 1.4858 1.4858
2.1292 2.1292 2.3462 2.3462 2.8721 2.8721 2.9644 2.9644
3.3998 3.3998 3.9294 3.9294 4.5455 4.5455 4.8055 4.8055
12.0510 12.0510 12.1160 12.1160 12.1583 12.1583 12.2405 12.2405
13.2950 13.2950
k = 0.0000 0.5592-0.0000 ( 4430 PWs) bands (ev):
-13.9304 -13.9304 -13.6619 -13.6619 -10.7879 -10.7879 -10.4978 -10.4978
-8.7374 -8.7374 -8.7218 -8.7218 -3.5858 -3.5858 -3.0936 -3.0936
-1.8097 -1.8097 -1.5211 -1.5211 -0.7469 -0.7469 -0.1760 -0.1760
0.5690 0.5690 0.7564 0.7564 1.3566 1.3566 1.4858 1.4858
2.1292 2.1292 2.3462 2.3462 2.8721 2.8721 2.9644 2.9644
3.3998 3.3998 3.9294 3.9294 4.5455 4.5455 4.8055 4.8055
12.0510 12.0510 12.1160 12.1160 12.1583 12.1583 12.2405 12.2405
13.2950 13.2950
k = 0.0000 0.5592 0.0163 ( 4440 PWs) bands (ev):
-13.9302 -13.9302 -13.6620 -13.6620 -10.7871 -10.7871 -10.4971 -10.4971
-8.7390 -8.7389 -8.7235 -8.7235 -3.5852 -3.5851 -3.0932 -3.0931
-1.8091 -1.8090 -1.5191 -1.5188 -0.7452 -0.7450 -0.1760 -0.1759
0.5666 0.5666 0.7539 0.7541 1.3563 1.3563 1.4869 1.4869
2.1274 2.1274 2.3469 2.3469 2.8734 2.8735 2.9653 2.9655
3.3994 3.3995 3.9298 3.9300 4.5454 4.5454 4.8052 4.8052
12.0381 12.0394 12.1124 12.1128 12.1688 12.1699 12.2374 12.2381
13.2993 13.2994
k = 0.0000 0.5592 0.0326 ( 4436 PWs) bands (ev):
-13.9296 -13.9296 -13.6624 -13.6624 -10.7846 -10.7846 -10.4951 -10.4950
-8.7436 -8.7434 -8.7287 -8.7287 -3.5834 -3.5832 -3.0918 -3.0916
-1.8073 -1.8072 -1.5126 -1.5120 -0.7397 -0.7393 -0.1758 -0.1757
0.5596 0.5596 0.7469 0.7472 1.3554 1.3556 1.4901 1.4903
2.1220 2.1220 2.3488 2.3489 2.8773 2.8775 2.9680 2.9684
3.3982 3.3986 3.9313 3.9316 4.5449 4.5449 4.8044 4.8044
12.0100 12.0117 12.1017 12.1028 12.1933 12.1950 12.2292 12.2305
13.3117 13.3119
k = 0.0000 0.5592 0.0490 ( 4438 PWs) bands (ev):
-13.9287 -13.9287 -13.6629 -13.6629 -10.7805 -10.7805 -10.4918 -10.4917
-8.7512 -8.7508 -8.7373 -8.7372 -3.5804 -3.5800 -3.0895 -3.0892
-1.8043 -1.8042 -1.5018 -1.5009 -0.7306 -0.7300 -0.1755 -0.1754
0.5481 0.5482 0.7355 0.7360 1.3540 1.3542 1.4953 1.4955
2.1133 2.1134 2.3520 2.3521 2.8836 2.8838 2.9726 2.9733
3.3964 3.3969 3.9338 3.9343 4.5441 4.5442 4.8030 4.8030
11.9757 11.9774 12.0838 12.0856 12.2146 12.2173 12.2252 12.2261
13.3309 13.3312
k = 0.0000 0.5592 0.0653 ( 4444 PWs) bands (ev):
-13.9273 -13.9273 -13.6636 -13.6636 -10.7748 -10.7747 -10.4871 -10.4870
-8.7618 -8.7613 -8.7491 -8.7491 -3.5762 -3.5757 -3.0863 -3.0859
-1.8002 -1.8000 -1.4868 -1.4856 -0.7178 -0.7170 -0.1752 -0.1750
0.5326 0.5327 0.7201 0.7208 1.3518 1.3521 1.5021 1.5023
2.1017 2.1018 2.3564 2.3565 2.8918 2.8921 2.9789 2.9798
3.3940 3.3946 3.9372 3.9379 4.5429 4.5430 4.8010 4.8010
11.9387 11.9403 12.0589 12.0610 12.2018 12.2042 12.2544 12.2559
13.3549 13.3550
k = 0.0000 0.5592 0.0816 ( 4442 PWs) bands (ev):
-13.9256 -13.9256 -13.6646 -13.6646 -10.7674 -10.7673 -10.4812 -10.4810
-8.7754 -8.7747 -8.7643 -8.7641 -3.5708 -3.5702 -3.0823 -3.0818
-1.7949 -1.7946 -1.4677 -1.4662 -0.7013 -0.7004 -0.1749 -0.1747
0.5134 0.5136 0.7011 0.7019 1.3489 1.3492 1.5099 1.5102
2.0878 2.0879 2.3617 2.3619 2.9015 2.9019 2.9870 2.9881
3.3908 3.3916 3.9416 3.9424 4.5414 4.5416 4.7984 4.7985
11.9006 11.9020 12.0276 12.0298 12.1866 12.1888 12.2853 12.2868
13.3807 13.3808
k = 0.0000 0.5592 0.0979 ( 4444 PWs) bands (ev):
-13.9235 -13.9235 -13.6658 -13.6658 -10.7584 -10.7583 -10.4738 -10.4736
-8.7918 -8.7910 -8.7825 -8.7823 -3.5643 -3.5635 -3.0776 -3.0770
-1.7885 -1.7882 -1.4448 -1.4430 -0.6812 -0.6801 -0.1747 -0.1744
0.4912 0.4914 0.6790 0.6800 1.3451 1.3455 1.5183 1.5186
2.0721 2.0723 2.3679 2.3681 2.9123 2.9128 2.9967 2.9980
3.3869 3.3878 3.9469 3.9478 4.5395 4.5397 4.7953 4.7954
11.8623 11.8635 11.9911 11.9931 12.1708 12.1729 12.3161 12.3174
13.4053 13.4058
k = 0.0000 0.5592 0.1143 ( 4438 PWs) bands (ev):
-13.9211 -13.9210 -13.6672 -13.6671 -10.7477 -10.7476 -10.4652 -10.4649
-8.8112 -8.8102 -8.8035 -8.8032 -3.5565 -3.5556 -3.0723 -3.0716
-1.7811 -1.7807 -1.4182 -1.4162 -0.6575 -0.6563 -0.1748 -0.1744
0.4665 0.4668 0.6543 0.6555 1.3403 1.3408 1.5266 1.5270
2.0553 2.0556 2.3747 2.3748 2.9236 2.9242 3.0077 3.0092
3.3823 3.3834 3.9530 3.9540 4.5372 4.5374 4.7916 4.7917
11.8245 11.8255 11.9509 11.9526 12.1549 12.1566 12.3464 12.3475
13.4259 13.4269
k = 0.0000 0.5592 0.1306 ( 4440 PWs) bands (ev):
-13.9183 -13.9182 -13.6688 -13.6688 -10.7354 -10.7354 -10.4553 -10.4549
-8.8336 -8.8325 -8.8268 -8.8265 -3.5477 -3.5467 -3.0665 -3.0657
-1.7726 -1.7722 -1.3884 -1.3860 -0.6304 -0.6289 -0.1752 -0.1747
0.4401 0.4405 0.6275 0.6289 1.3345 1.3350 1.5344 1.5347
2.0381 2.0383 2.3819 2.3820 2.9350 2.9357 3.0199 3.0215
3.3771 3.3784 3.9597 3.9609 4.5344 4.5346 4.7873 4.7874
11.7878 11.7886 11.9084 11.9098 12.1389 12.1404 12.3761 12.3770
13.4404 13.4419
k = 0.0000 0.5592 0.1469 ( 4446 PWs) bands (ev):
-13.9151 -13.9151 -13.6706 -13.6706 -10.7216 -10.7215 -10.4440 -10.4436
-8.8594 -8.8584 -8.8518 -8.8517 -3.5378 -3.5367 -3.0603 -3.0595
-1.7632 -1.7627 -1.3556 -1.3529 -0.5998 -0.5981 -0.1763 -0.1757
0.4128 0.4133 0.5991 0.6007 1.3277 1.3282 1.5408 1.5411
2.0210 2.0214 2.3893 2.3894 2.9461 2.9468 3.0331 3.0348
3.3714 3.3728 3.9670 3.9684 4.5311 4.5314 4.7823 4.7825
11.7528 11.7534 11.8651 11.8661 12.1231 12.1242 12.4049 12.4055
13.4481 13.4499
k = 0.0000 0.5592 0.1632 ( 4450 PWs) bands (ev):
-13.9116 -13.9116 -13.6727 -13.6726 -10.7061 -10.7060 -10.4314 -10.4310
-8.8885 -8.8876 -8.8787 -8.8785 -3.5269 -3.5256 -3.0539 -3.0531
-1.7528 -1.7522 -1.3202 -1.3173 -0.5659 -0.5641 -0.1783 -0.1775
0.3854 0.3861 0.5694 0.5712 1.3198 1.3204 1.5455 1.5457
2.0049 2.0053 2.3966 2.3967 2.9565 2.9573 3.0467 3.0486
3.3654 3.3670 3.9748 3.9763 4.5274 4.5276 4.7768 4.7770
11.7202 11.7206 11.8223 11.8229 12.1076 12.1084 12.4328 12.4330
13.4494 13.4515
k = 0.0000 0.5592 0.1796 ( 4446 PWs) bands (ev):
-13.9078 -13.9078 -13.6749 -13.6749 -10.6890 -10.6889 -10.4175 -10.4171
-8.9203 -8.9197 -8.9073 -8.9069 -3.5149 -3.5136 -3.0475 -3.0467
-1.7414 -1.7408 -1.2828 -1.2797 -0.5288 -0.5269 -0.1814 -0.1805
0.3589 0.3597 0.5389 0.5409 1.3108 1.3114 1.5477 1.5478
1.9902 1.9907 2.4037 2.4038 2.9658 2.9667 3.0605 3.0623
3.3595 3.3612 3.9827 3.9844 4.5231 4.5234 4.7706 4.7708
11.6906 11.6907 11.7809 11.7812 12.0927 12.0932 12.4592 12.4592
13.4460 13.4482
k = 0.0000 0.5592 0.1959 ( 4450 PWs) bands (ev):
-13.9037 -13.9037 -13.6774 -13.6774 -10.6704 -10.6703 -10.4024 -10.4019
-8.9547 -8.9541 -8.9378 -8.9373 -3.5020 -3.5006 -3.0411 -3.0403
-1.7291 -1.7284 -1.2439 -1.2405 -0.4889 -0.4868 -0.1861 -0.1849
0.3343 0.3352 0.5080 0.5102 1.3009 1.3015 1.5471 1.5471
1.9776 1.9782 2.4104 2.4104 2.9739 2.9749 3.0736 3.0755
3.3540 3.3558 3.9907 3.9925 4.5184 4.5186 4.7638 4.7640
11.6643 11.6643 11.7419 11.7420 12.0785 12.0788 12.4836 12.4840
13.4395 13.4418
k = 0.0000 0.5592 0.2122 ( 4454 PWs) bands (ev):
-13.8993 -13.8993 -13.6801 -13.6801 -10.6502 -10.6501 -10.3859 -10.3854
-8.9912 -8.9907 -8.9700 -8.9693 -3.4882 -3.4867 -3.0350 -3.0342
-1.7159 -1.7151 -1.2040 -1.2004 -0.4463 -0.4441 -0.1926 -0.1913
0.3125 0.3136 0.4771 0.4795 1.2900 1.2906 1.5430 1.5431
1.9676 1.9683 2.4164 2.4165 2.9806 2.9816 3.0854 3.0872
3.3498 3.3517 3.9985 4.0004 4.5132 4.5135 4.7564 4.7566
11.6419 11.6421 11.7059 11.7063 12.0655 12.0655 12.5059 12.5066
13.4313 13.4337
k = 0.0000 0.5592 0.2285 ( 4452 PWs) bands (ev):
-13.8946 -13.8946 -13.6831 -13.6830 -10.6285 -10.6283 -10.3682 -10.3676
-9.0298 -9.0293 -9.0038 -9.0030 -3.4735 -3.4720 -3.0292 -3.0285
-1.7018 -1.7009 -1.1639 -1.1600 -0.4014 -0.3990 -0.2013 -0.1997
0.2946 0.2959 0.4465 0.4492 1.2781 1.2788 1.5355 1.5356
1.9603 1.9611 2.4216 2.4217 2.9857 2.9867 3.0947 3.0965
3.3476 3.3495 4.0058 4.0078 4.5077 4.5080 4.7483 4.7486
11.6239 11.6242 11.6739 11.6746 12.0535 12.0537 12.5256 12.5267
13.4226 13.4250
k = 0.0000 0.5592 0.2449 ( 4450 PWs) bands (ev):
-13.8897 -13.8896 -13.6862 -13.6861 -10.6052 -10.6051 -10.3493 -10.3487
-9.0701 -9.0696 -9.0391 -9.0382 -3.4581 -3.4564 -3.0240 -3.0234
-1.6867 -1.6857 -1.1244 -1.1203 -0.3546 -0.3521 -0.2121 -0.2102
0.2815 0.2829 0.4167 0.4197 1.2654 1.2661 1.5243 1.5246
1.9560 1.9569 2.4258 2.4260 2.9891 2.9902 3.1007 3.1023
3.3486 3.3504 4.0123 4.0143 4.5021 4.5024 4.7396 4.7400
11.6108 11.6110 11.6465 11.6475 12.0432 12.0435 12.5422 12.5436
13.4140 13.4163
k = 0.0000 0.5592 0.2612 ( 4452 PWs) bands (ev):
-13.8845 -13.8844 -13.6896 -13.6895 -10.5804 -10.5803 -10.3291 -10.3285
-9.1119 -9.1115 -9.0757 -9.0748 -3.4419 -3.4402 -3.0195 -3.0190
-1.6705 -1.6694 -1.0864 -1.0821 -0.3065 -0.3038 -0.2248 -0.2227
0.2737 0.2753 0.3882 0.3915 1.2519 1.2526 1.5097 1.5101
1.9546 1.9555 2.4289 2.4292 2.9909 2.9920 3.1023 3.1036
3.3535 3.3552 4.0177 4.0198 4.4963 4.4966 4.7304 4.7307
11.6027 11.6028 11.6242 11.6258 12.0346 12.0351 12.5551 12.5568
13.4058 13.4081
k = 0.0000 0.5592 0.2775 ( 4454 PWs) bands (ev):
-13.8791 -13.8790 -13.6932 -13.6931 -10.5542 -10.5541 -10.3077 -10.3071
-9.1551 -9.1547 -9.1134 -9.1125 -3.4250 -3.4232 -3.0157 -3.0153
-1.6534 -1.6522 -1.0508 -1.0465 -0.2581 -0.2553 -0.2386 -0.2364
0.2716 0.2734 0.3616 0.3652 1.2377 1.2384 1.4920 1.4924
1.9558 1.9568 2.4307 2.4311 2.9910 2.9921 3.0990 3.1000
3.3629 3.3643 4.0216 4.0238 4.4908 4.4911 4.7205 4.7209
11.5988 11.5997 11.6078 11.6107 12.0281 12.0286 12.5639 12.5660
13.3979 13.4002
k = 0.0000 0.5592 0.2938 ( 4450 PWs) bands (ev):
-13.8735 -13.8734 -13.6970 -13.6969 -10.5266 -10.5264 -10.2852 -10.2845
-9.1995 -9.1991 -9.1522 -9.1512 -3.4075 -3.4056 -3.0129 -3.0127
-1.6351 -1.6338 -1.0189 -1.0144 -0.2540 -0.2516 -0.2091 -0.2062
0.2755 0.2773 0.3378 0.3417 1.2227 1.2234 1.4713 1.4718
1.9594 1.9605 2.4312 2.4316 2.9895 2.9906 3.0911 3.0916
3.3766 3.3778 4.0238 4.0260 4.4856 4.4859 4.7101 4.7106
11.5943 11.5952 11.6045 11.6075 12.0236 12.0242 12.5681 12.5706
13.3902 13.3922
k = 0.0000 0.5592 0.3101 ( 4456 PWs) bands (ev):
-13.8677 -13.8676 -13.7010 -13.7009 -10.4975 -10.4973 -10.2616 -10.2608
-9.2448 -9.2444 -9.1918 -9.1907 -3.3894 -3.3875 -3.0112 -3.0111
-1.6157 -1.6142 -0.9917 -0.9872 -0.2681 -0.2654 -0.1626 -0.1596
0.2851 0.2870 0.3178 0.3221 1.2071 1.2077 1.4482 1.4487
1.9652 1.9663 2.4300 2.4306 2.9865 2.9875 3.0790 3.0792
3.3942 3.3951 4.0239 4.0261 4.4810 4.4813 4.6992 4.6998
11.5906 11.5907 11.6131 11.6153 12.0214 12.0220 12.5676 12.5704
13.3715 13.3750
k = 0.0000 0.5592 0.3265 ( 4454 PWs) bands (ev):
-13.8617 -13.8616 -13.7053 -13.7052 -10.4671 -10.4669 -10.2368 -10.2360
-9.2910 -9.2905 -9.2320 -9.2310 -3.3708 -3.3689 -3.0106 -3.0106
-1.5951 -1.5935 -0.9703 -0.9659 -0.2804 -0.2775 -0.1197 -0.1167
0.2996 0.3006 0.3049 0.3086 1.1908 1.1914 1.4228 1.4234
1.9728 1.9739 2.4272 2.4279 2.9821 2.9830 3.0635 3.0638
3.4149 3.4156 4.0217 4.0239 4.4773 4.4775 4.6880 4.6885
11.5919 11.5923 11.6279 11.6299 12.0215 12.0221 12.5621 12.5652
13.3175 13.3207
k = 0.0000 0.5592 0.3428 ( 4450 PWs) bands (ev):
-13.8555 -13.8554 -13.7097 -13.7096 -10.4353 -10.4351 -10.2111 -10.2103
-9.3376 -9.3372 -9.2728 -9.2717 -3.3519 -3.3499 -3.0115 -3.0113
-1.5732 -1.5716 -0.9559 -0.9515 -0.2898 -0.2867 -0.0829 -0.0799
0.2962 0.3005 0.3215 0.3230 1.1739 1.1745 1.3956 1.3961
1.9821 1.9832 2.4226 2.4233 2.9765 2.9772 3.0456 3.0462
3.4381 3.4386 4.0169 4.0190 4.4747 4.4748 4.6763 4.6769
11.5995 11.6000 11.6486 11.6506 12.0239 12.0245 12.5517 12.5551
13.2554 13.2586
k = 0.0000 0.5592 0.3591 ( 4452 PWs) bands (ev):
-13.8493 -13.8491 -13.7144 -13.7143 -10.4023 -10.4021 -10.1844 -10.1835
-9.3846 -9.3842 -9.3140 -9.3129 -3.3326 -3.3306 -3.0136 -3.0133
-1.5501 -1.5483 -0.9490 -0.9447 -0.2953 -0.2921 -0.0549 -0.0522
0.2997 0.3040 0.3464 0.3479 1.1564 1.1569 1.3666 1.3672
1.9930 1.9940 2.4158 2.4166 2.9697 2.9704 3.0263 3.0271
3.4631 3.4636 4.0093 4.0114 4.4734 4.4734 4.6644 4.6650
11.6133 11.6139 11.6751 11.6772 12.0287 12.0292 12.5366 12.5403
13.1875 13.1907
k = 0.0000 0.5592 0.3754 ( 4446 PWs) bands (ev):
-13.8429 -13.8427 -13.7192 -13.7191 -10.3681 -10.3678 -10.1569 -10.1560
-9.4318 -9.4314 -9.3554 -9.3542 -3.3130 -3.3111 -3.0171 -3.0166
-1.5257 -1.5238 -0.9498 -0.9457 -0.2966 -0.2931 -0.0377 -0.0356
0.3148 0.3187 0.3756 0.3770 1.1383 1.1388 1.3361 1.3367
2.0053 2.0063 2.4070 2.4078 2.9622 2.9627 3.0064 3.0075
3.4896 3.4900 3.9991 4.0010 4.4733 4.4733 4.6522 4.6529
11.6335 11.6340 11.7072 11.7093 12.0358 12.0362 12.5169 12.5210
13.1152 13.1185
k = 0.0000 0.5592 0.3918 ( 4444 PWs) bands (ev):
-13.8364 -13.8363 -13.7243 -13.7241 -10.3327 -10.3325 -10.1287 -10.1278
-9.4787 -9.4783 -9.3968 -9.3956 -3.2933 -3.2913 -3.0219 -3.0213
-1.4999 -1.4980 -0.9581 -0.9541 -0.2935 -0.2899 -0.0312 -0.0299
0.3411 0.3444 0.4083 0.4095 1.1197 1.1202 1.3043 1.3049
2.0190 2.0200 2.3958 2.3967 2.9539 2.9543 2.9868 2.9881
3.5172 3.5175 3.9861 3.9879 4.4745 4.4747 4.6400 4.6406
11.6597 11.6601 11.7445 11.7467 12.0451 12.0453 12.4931 12.4975
13.0406 13.0439
k = 0.0000 0.5592 0.4081 ( 4444 PWs) bands (ev):
-13.8298 -13.8297 -13.7295 -13.7294 -10.2963 -10.2960 -10.1001 -10.0992
-9.5252 -9.5248 -9.4381 -9.4369 -3.2735 -3.2716 -3.0282 -3.0274
-1.4729 -1.4708 -0.9730 -0.9693 -0.2865 -0.2829 -0.0335 -0.0330
0.3759 0.3787 0.4438 0.4447 1.1007 1.1012 1.2713 1.2719
2.0341 2.0351 2.3821 2.3831 2.9453 2.9455 2.9680 2.9695
3.5456 3.5459 3.9705 3.9722 4.4771 4.4773 4.6276 4.6283
11.6919 11.6921 11.7866 11.7888 12.0565 12.0565 12.4655 12.4702
12.9652 12.9686
k = 0.0000 0.5592 0.4244 ( 4448 PWs) bands (ev):
-13.8232 -13.8231 -13.7349 -13.7348 -10.2589 -10.2587 -10.0714 -10.0705
-9.5707 -9.5703 -9.4791 -9.4779 -3.2538 -3.2518 -3.0358 -3.0350
-1.4445 -1.4423 -0.9937 -0.9901 -0.2763 -0.2726 -0.0424 -0.0422
0.4161 0.4183 0.4810 0.4817 1.0815 1.0819 1.2373 1.2379
2.0506 2.0516 2.3661 2.3671 2.9366 2.9366 2.9506 2.9523
3.5745 3.5749 3.9525 3.9541 4.4810 4.4813 4.6153 4.6160
11.7296 11.7296 11.8328 11.8352 12.0694 12.0697 12.4341 12.4391
12.8910 12.8943
k = 0.0000 0.5592 0.4407 ( 4446 PWs) bands (ev):
-13.8166 -13.8165 -13.7405 -13.7404 -10.2208 -10.2206 -10.0433 -10.0423
-9.6145 -9.6141 -9.5195 -9.5183 -3.2341 -3.2322 -3.0449 -3.0438
-1.4149 -1.4126 -1.0189 -1.0154 -0.2636 -0.2599 -0.0558 -0.0550
0.4587 0.4605 0.5188 0.5194 1.0625 1.0629 1.2026 1.2031
2.0686 2.0696 2.3477 2.3488 2.9278 2.9279 2.9353 2.9371
3.6039 3.6042 3.9324 3.9339 4.4861 4.4864 4.6031 4.6038
11.7724 11.7726 11.8823 11.8848 12.0838 12.0844 12.3992 12.4044
12.8199 12.8232
k = 0.0000 0.5592 0.4571 ( 4448 PWs) bands (ev):
-13.8099 -13.8098 -13.7462 -13.7461 -10.1822 -10.1819 -10.0166 -10.0157
-9.6557 -9.6553 -9.5591 -9.5580 -3.2147 -3.2128 -3.0552 -3.0541
-1.3841 -1.3817 -1.0476 -1.0443 -0.2490 -0.2454 -0.0716 -0.0703
0.5014 0.5029 0.5559 0.5562 1.0444 1.0448 1.1675 1.1681
2.0881 2.0890 2.3272 2.3282 2.9194 2.9197 2.9224 2.9242
3.6335 3.6338 3.9104 3.9117 4.4922 4.4926 4.5910 4.5917
11.8197 11.8203 11.9338 11.9365 12.0989 12.1000 12.3606 12.3658
12.7545 12.7575
k = 0.0000 0.5592 0.4734 ( 4450 PWs) bands (ev):
-13.8033 -13.8031 -13.7521 -13.7520 -10.1432 -10.1429 -9.9932 -9.9923
-9.6923 -9.6918 -9.5977 -9.5965 -3.1956 -3.1937 -3.0668 -3.0656
-1.3522 -1.3497 -1.0789 -1.0757 -0.2331 -0.2295 -0.0889 -0.0871
0.5423 0.5437 0.5904 0.5904 1.0282 1.0286 1.1327 1.1333
2.1091 2.1100 2.3047 2.3058 2.9111 2.9118 2.9126 2.9142
3.6631 3.6635 3.8867 3.8879 4.4993 4.4998 4.5791 4.5799
11.8712 11.8722 11.9855 11.9884 12.1141 12.1156 12.3181 12.3230
12.6977 12.7003
k = 0.0000 0.5592 0.4897 ( 4452 PWs) bands (ev):
-13.7966 -13.7965 -13.7582 -13.7581 -10.1045 -10.1042 -9.9763 -9.9755
-9.7211 -9.7205 -9.6345 -9.6334 -3.1769 -3.1751 -3.0796 -3.0783
-1.3193 -1.3167 -1.1120 -1.1089 -0.2162 -0.2128 -0.1069 -0.1048
0.5796 0.5808 0.6196 0.6199 1.0156 1.0161 1.0991 1.0997
2.1314 2.1322 2.2808 2.2818 2.9035 2.9048 2.9057 2.9069
3.6927 3.6932 3.8616 3.8626 4.5072 4.5078 4.5675 4.5683
11.9260 11.9275 12.0346 12.0376 12.1279 12.1300 12.2715 12.2759
12.6533 12.6552
k = 0.0000 0.5592 0.5060 ( 4456 PWs) bands (ev):
-13.7900 -13.7899 -13.7644 -13.7642 -10.0668 -10.0665 -9.9704 -9.9697
-9.7375 -9.7368 -9.6689 -9.6678 -3.1588 -3.1570 -3.0936 -3.0921
-1.2855 -1.2829 -1.1463 -1.1433 -0.1987 -0.1954 -0.1253 -0.1229
0.6114 0.6125 0.6409 0.6414 1.0089 1.0095 1.0680 1.0686
2.1549 2.1558 2.2558 2.2568 2.8983 2.8997 2.9005 2.9016
3.7222 3.7227 3.8353 3.8362 4.5158 4.5165 4.5563 4.5570
11.9830 11.9852 12.0772 12.0801 12.1384 12.1412 12.2213 12.2247
12.6254 12.6264
k = 0.0000 0.5592 0.5224 ( 4458 PWs) bands (ev):
-13.7835 -13.7834 -13.7706 -13.7705 -10.0315 -10.0311 -9.9791 -9.9785
-9.7380 -9.7372 -9.6995 -9.6985 -3.1413 -3.1395 -3.1086 -3.1070
-1.2511 -1.2483 -1.1811 -1.1782 -0.1807 -0.1775 -0.1438 -0.1412
0.6356 0.6365 0.6515 0.6521 1.0104 1.0110 1.0413 1.0420
2.1794 2.1803 2.2303 2.2313 2.8955 2.8969 2.8969 2.8981
3.7513 3.7519 3.8080 3.8088 4.5251 4.5258 4.5454 4.5462
12.0406 12.0437 12.1071 12.1086 12.1430 12.1463 12.1712 12.1720
12.6181 12.6182
k = 0.0000 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7770 -13.7770 -13.7769 -13.7769 -10.0009 -10.0009 -10.0004 -10.0004
-9.7239 -9.7239 -9.7229 -9.7229 -3.1245 -3.1245 -3.1228 -3.1228
-1.2162 -1.2162 -1.2134 -1.2134 -0.1623 -0.1623 -0.1594 -0.1594
0.6495 0.6495 0.6504 0.6504 1.0214 1.0214 1.0221 1.0221
2.2047 2.2047 2.2056 2.2056 2.8951 2.8951 2.8965 2.8965
3.7799 3.7799 3.7807 3.7807 4.5350 4.5350 4.5357 4.5357
12.0938 12.0938 12.0976 12.0976 12.1425 12.1425 12.1469 12.1469
12.6330 12.6331
k = 0.0000 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7770 -13.7770 -13.7769 -13.7769 -10.0009 -10.0009 -10.0004 -10.0004
-9.7239 -9.7239 -9.7229 -9.7229 -3.1245 -3.1245 -3.1228 -3.1228
-1.2162 -1.2162 -1.2134 -1.2134 -0.1623 -0.1623 -0.1594 -0.1594
0.6495 0.6495 0.6504 0.6504 1.0214 1.0214 1.0221 1.0221
2.2047 2.2047 2.2056 2.2056 2.8951 2.8951 2.8965 2.8965
3.7799 3.7799 3.7807 3.7807 4.5350 4.5350 4.5357 4.5357
12.0938 12.0938 12.0976 12.0976 12.1425 12.1425 12.1469 12.1469
12.6330 12.6330
k = 0.0164 0.5592 0.5387 ( 4454 PWs) bands (ev):
-13.7769 -13.7769 -13.7768 -13.7768 -10.0033 -10.0033 -10.0028 -10.0028
-9.7217 -9.7217 -9.7207 -9.7207 -3.1229 -3.1229 -3.1212 -3.1212
-1.2201 -1.2201 -1.2173 -1.2173 -0.1598 -0.1598 -0.1569 -0.1569
0.6478 0.6478 0.6494 0.6494 1.0229 1.0229 1.0247 1.0247
2.2034 2.2034 2.2046 2.2046 2.8960 2.8960 2.8974 2.8974
3.7806 3.7806 3.7814 3.7814 4.5333 4.5333 4.5341 4.5341
12.0911 12.0911 12.0951 12.0951 12.1453 12.1453 12.1498 12.1498
12.6328 12.6328
k = 0.0329 0.5592 0.5387 ( 4458 PWs) bands (ev):
-13.7766 -13.7766 -13.7764 -13.7764 -10.0104 -10.0104 -10.0097 -10.0097
-9.7153 -9.7153 -9.7142 -9.7142 -3.1180 -3.1180 -3.1163 -3.1163
-1.2319 -1.2319 -1.2291 -1.2291 -0.1522 -0.1522 -0.1493 -0.1493
0.6433 0.6433 0.6460 0.6460 1.0282 1.0282 1.0315 1.0315
2.1998 2.1998 2.2015 2.2015 2.8986 2.8986 2.9003 2.9003
3.7826 3.7826 3.7834 3.7834 4.5282 4.5282 4.5291 4.5291
12.0844 12.0844 12.0887 12.0887 12.1525 12.1525 12.1569 12.1569
12.6325 12.6327
k = 0.0493 0.5592 0.5387 ( 4460 PWs) bands (ev):
-13.7760 -13.7760 -13.7759 -13.7759 -10.0215 -10.0215 -10.0206 -10.0206
-9.7054 -9.7054 -9.7042 -9.7042 -3.1098 -3.1098 -3.1082 -3.1082
-1.2510 -1.2510 -1.2483 -1.2483 -0.1401 -0.1401 -0.1371 -0.1371
0.6365 0.6365 0.6402 0.6402 1.0372 1.0372 1.0420 1.0420
2.1941 2.1941 2.1964 2.1964 2.9028 2.9028 2.9049 2.9049
3.7858 3.7858 3.7867 3.7867 4.5198 4.5198 4.5208 4.5208
12.0758 12.0758 12.0803 12.0803 12.1618 12.1618 12.1663 12.1663
12.6318 12.6318
k = 0.0658 0.5592 0.5387 ( 4464 PWs) bands (ev):
-13.7752 -13.7752 -13.7751 -13.7751 -10.0358 -10.0358 -10.0347 -10.0347
-9.6926 -9.6926 -9.6913 -9.6913 -3.0985 -3.0985 -3.0968 -3.0968
-1.2770 -1.2770 -1.2744 -1.2744 -0.1239 -0.1239 -0.1208 -0.1208
0.6278 0.6278 0.6324 0.6324 1.0496 1.0496 1.0556 1.0556
2.1864 2.1864 2.1893 2.1893 2.9086 2.9086 2.9110 2.9110
3.7904 3.7904 3.7914 3.7914 4.5082 4.5082 4.5094 4.5094
12.0664 12.0664 12.0710 12.0710 12.1722 12.1722 12.1768 12.1768
12.6311 12.6311
k = 0.0822 0.5592 0.5387 ( 4466 PWs) bands (ev):
-13.7742 -13.7742 -13.7741 -13.7741 -10.0525 -10.0525 -10.0513 -10.0513
-9.6777 -9.6777 -9.6763 -9.6763 -3.0841 -3.0841 -3.0823 -3.0823
-1.3091 -1.3091 -1.3066 -1.3066 -0.1042 -0.1042 -0.1011 -0.1011
0.6177 0.6177 0.6231 0.6231 1.0649 1.0649 1.0720 1.0720
2.1770 2.1770 2.1804 2.1804 2.9156 2.9156 2.9183 2.9183
3.7964 3.7964 3.7975 3.7975 4.4936 4.4936 4.4950 4.4950
12.0566 12.0566 12.0613 12.0613 12.1829 12.1829 12.1878 12.1878
12.6303 12.6303
k = 0.0987 0.5592 0.5387 ( 4466 PWs) bands (ev):
-13.7730 -13.7730 -13.7729 -13.7729 -10.0710 -10.0710 -10.0698 -10.0698
-9.6613 -9.6613 -9.6598 -9.6598 -3.0665 -3.0665 -3.0648 -3.0648
-1.3467 -1.3467 -1.3443 -1.3443 -0.0819 -0.0819 -0.0786 -0.0786
0.6067 0.6067 0.6126 0.6126 1.0826 1.0826 1.0906 1.0906
2.1661 2.1661 2.1700 2.1700 2.9236 2.9236 2.9266 2.9266
3.8037 3.8037 3.8049 3.8049 4.4762 4.4762 4.4777 4.4777
12.0467 12.0467 12.0514 12.0514 12.1936 12.1936 12.1989 12.1989
12.6294 12.6295
k = 0.1151 0.5592 0.5387 ( 4468 PWs) bands (ev):
-13.7716 -13.7716 -13.7715 -13.7715 -10.0909 -10.0909 -10.0895 -10.0895
-9.6438 -9.6438 -9.6422 -9.6422 -3.0461 -3.0461 -3.0443 -3.0443
-1.3890 -1.3890 -1.3867 -1.3867 -0.0575 -0.0575 -0.0541 -0.0541
0.5950 0.5950 0.6013 0.6013 1.1023 1.1023 1.1110 1.1110
2.1539 2.1539 2.1583 2.1583 2.9323 2.9323 2.9355 2.9355
3.8124 3.8124 3.8137 3.8137 4.4561 4.4561 4.4579 4.4579
12.0366 12.0366 12.0413 12.0413 12.2041 12.2041 12.2099 12.2099
12.6286 12.6286
k = 0.1316 0.5592 0.5387 ( 4474 PWs) bands (ev):
-13.7700 -13.7700 -13.7699 -13.7699 -10.1116 -10.1116 -10.1102 -10.1102
-9.6255 -9.6255 -9.6240 -9.6240 -3.0227 -3.0227 -3.0209 -3.0209
-1.4354 -1.4354 -1.4332 -1.4332 -0.0317 -0.0317 -0.0282 -0.0282
0.5831 0.5831 0.5896 0.5896 1.1235 1.1235 1.1329 1.1329
2.1408 2.1408 2.1456 2.1456 2.9413 2.9413 2.9447 2.9447
3.8224 3.8224 3.8238 3.8238 4.4339 4.4339 4.4358 4.4358
12.0263 12.0263 12.0308 12.0308 12.2142 12.2142 12.2208 12.2208
12.6277 12.6277
k = 0.1480 0.5592 0.5387 ( 4474 PWs) bands (ev):
-13.7683 -13.7683 -13.7682 -13.7682 -10.1329 -10.1329 -10.1315 -10.1315
-9.6069 -9.6069 -9.6053 -9.6053 -2.9966 -2.9966 -2.9948 -2.9948
-1.4853 -1.4853 -1.4832 -1.4832 -0.0050 -0.0050 -0.0014 -0.0014
0.5711 0.5711 0.5779 0.5779 1.1460 1.1460 1.1558 1.1558
2.1270 2.1270 2.1321 2.1321 2.9505 2.9505 2.9540 2.9540
3.8337 3.8337 3.8352 3.8352 4.4096 4.4096 4.4118 4.4118
12.0155 12.0155 12.0200 12.0200 12.2240 12.2240 12.2314 12.2314
12.6271 12.6271
k = 0.1645 0.5592 0.5387 ( 4480 PWs) bands (ev):
-13.7665 -13.7665 -13.7664 -13.7664 -10.1545 -10.1545 -10.1531 -10.1531
-9.5880 -9.5880 -9.5863 -9.5863 -2.9679 -2.9679 -2.9661 -2.9661
-1.5382 -1.5382 -1.5362 -1.5362 0.0221 0.0221 0.0259 0.0259
0.5594 0.5594 0.5662 0.5662 1.1693 1.1693 1.1795 1.1795
2.1127 2.1127 2.1181 2.1181 2.9595 2.9595 2.9630 2.9630
3.8462 3.8462 3.8478 3.8478 4.3838 4.3838 4.3861 4.3861
12.0040 12.0040 12.0085 12.0085 12.2333 12.2333 12.2416 12.2416
12.6266 12.6266
k = 0.1809 0.5592 0.5387 ( 4484 PWs) bands (ev):
-13.7646 -13.7646 -13.7645 -13.7645 -10.1762 -10.1762 -10.1748 -10.1748
-9.5689 -9.5689 -9.5673 -9.5673 -2.9369 -2.9369 -2.9349 -2.9349
-1.5935 -1.5935 -1.5916 -1.5916 0.0492 0.0492 0.0531 0.0531
0.5481 0.5481 0.5550 0.5550 1.1932 1.1932 1.2037 1.2037
2.0982 2.0982 2.1038 2.1038 2.9680 2.9680 2.9715 2.9715
3.8598 3.8598 3.8615 3.8615 4.3569 4.3569 4.3593 4.3593
11.9918 11.9918 11.9963 11.9963 12.2422 12.2422 12.2513 12.2513
12.6265 12.6265
k = 0.1974 0.5592 0.5387 ( 4478 PWs) bands (ev):
-13.7626 -13.7626 -13.7625 -13.7625 -10.1978 -10.1978 -10.1964 -10.1964
-9.5499 -9.5499 -9.5483 -9.5483 -2.9036 -2.9036 -2.9016 -2.9016
-1.6509 -1.6509 -1.6490 -1.6490 0.0760 0.0760 0.0801 0.0801
0.5373 0.5373 0.5442 0.5442 1.2173 1.2173 1.2280 1.2280
2.0838 2.0838 2.0895 2.0895 2.9759 2.9759 2.9793 2.9793
3.8743 3.8743 3.8761 3.8761 4.3294 4.3294 4.3319 4.3319
11.9786 11.9786 11.9830 11.9830 12.2506 12.2506 12.2605 12.2605
12.6269 12.6269
k = 0.2138 0.5592 0.5387 ( 4474 PWs) bands (ev):
-13.7606 -13.7606 -13.7605 -13.7605 -10.2192 -10.2192 -10.2178 -10.2178
-9.5310 -9.5310 -9.5294 -9.5294 -2.8683 -2.8683 -2.8663 -2.8663
-1.7099 -1.7099 -1.7081 -1.7081 0.1022 0.1022 0.1064 0.1064
0.5272 0.5272 0.5341 0.5341 1.2412 1.2412 1.2522 1.2522
2.0697 2.0697 2.0755 2.0755 2.9829 2.9829 2.9862 2.9862
3.8894 3.8894 3.8913 3.8913 4.3019 4.3019 4.3045 4.3045
11.9642 11.9642 11.9686 11.9686 12.2583 12.2583 12.2690 12.2690
12.6280 12.6280
k = 0.2302 0.5592 0.5387 ( 4468 PWs) bands (ev):
-13.7585 -13.7585 -13.7584 -13.7584 -10.2402 -10.2402 -10.2389 -10.2389
-9.5122 -9.5122 -9.5106 -9.5106 -2.8313 -2.8313 -2.8294 -2.8294
-1.7702 -1.7702 -1.7684 -1.7684 0.1276 0.1276 0.1318 0.1318
0.5180 0.5180 0.5247 0.5247 1.2648 1.2648 1.2759 1.2759
2.0562 2.0562 2.0621 2.0621 2.9889 2.9889 2.9921 2.9921
3.9045 3.9045 3.9066 3.9066 4.2752 4.2752 4.2778 4.2778
11.9485 11.9485 11.9530 11.9530 12.2653 12.2653 12.2767 12.2767
12.6301 12.6301
k = 0.2467 0.5592 0.5387 ( 4464 PWs) bands (ev):
-13.7565 -13.7565 -13.7564 -13.7564 -10.2608 -10.2608 -10.2594 -10.2594
-9.4937 -9.4937 -9.4921 -9.4921 -2.7929 -2.7929 -2.7910 -2.7910
-1.8312 -1.8312 -1.8294 -1.8294 0.1518 0.1518 0.1561 0.1561
0.5098 0.5098 0.5164 0.5164 1.2875 1.2875 1.2987 1.2987
2.0437 2.0437 2.0496 2.0496 2.9938 2.9938 2.9969 2.9969
3.9191 3.9191 3.9213 3.9213 4.2502 4.2502 4.2528 4.2528
11.9314 11.9314 11.9359 11.9359 12.2714 12.2714 12.2833 12.2833
12.6335 12.6335
k = 0.2631 0.5592 0.5387 ( 4458 PWs) bands (ev):
-13.7545 -13.7545 -13.7544 -13.7544 -10.2807 -10.2807 -10.2794 -10.2794
-9.4753 -9.4753 -9.4737 -9.4737 -2.7537 -2.7537 -2.7519 -2.7519
-1.8925 -1.8925 -1.8908 -1.8908 0.1747 0.1747 0.1791 0.1791
0.5027 0.5027 0.5091 0.5091 1.3090 1.3090 1.3203 1.3203
2.0324 2.0324 2.0384 2.0384 2.9976 2.9976 3.0005 3.0005
3.9320 3.9320 3.9343 3.9343 4.2283 4.2283 4.2308 4.2308
11.9128 11.9128 11.9173 11.9173 12.2763 12.2763 12.2885 12.2885
12.6385 12.6385
k = 0.2796 0.5592 0.5387 ( 4460 PWs) bands (ev):
-13.7526 -13.7526 -13.7525 -13.7525 -10.2999 -10.2999 -10.2986 -10.2986
-9.4572 -9.4572 -9.4556 -9.4556 -2.7142 -2.7142 -2.7124 -2.7124
-1.9534 -1.9534 -1.9518 -1.9518 0.1960 0.1960 0.2005 0.2005
0.4969 0.4969 0.5031 0.5031 1.3288 1.3288 1.3401 1.3401
2.0229 2.0229 2.0288 2.0288 3.0003 3.0003 3.0030 3.0030
3.9418 3.9418 3.9441 3.9441 4.2112 4.2112 4.2134 4.2134
11.8927 11.8927 11.8971 11.8971 12.2798 12.2798 12.2922 12.2922
12.6452 12.6452
k = 0.2960 0.5592 0.5387 ( 4464 PWs) bands (ev):
-13.7508 -13.7508 -13.7507 -13.7507 -10.3183 -10.3183 -10.3170 -10.3170
-9.4394 -9.4394 -9.4378 -9.4378 -2.6752 -2.6752 -2.6737 -2.6737
-2.0130 -2.0130 -2.0116 -2.0116 0.2155 0.2155 0.2200 0.2200
0.4926 0.4926 0.4987 0.4987 1.3463 1.3463 1.3576 1.3576
2.0155 2.0155 2.0214 2.0214 3.0017 3.0017 3.0043 3.0043
3.9467 3.9467 3.9491 3.9491 4.2006 4.2006 4.2025 4.2025
11.8711 11.8711 11.8755 11.8755 12.2817 12.2817 12.2942 12.2942
12.6540 12.6540
k = 0.3125 0.5592 0.5387 ( 4462 PWs) bands (ev):
-13.7491 -13.7491 -13.7490 -13.7490 -10.3359 -10.3359 -10.3346 -10.3346
-9.4218 -9.4218 -9.4203 -9.4203 -2.6384 -2.6384 -2.6371 -2.6371
-2.0698 -2.0698 -2.0687 -2.0687 0.2328 0.2328 0.2374 0.2374
0.4902 0.4902 0.4961 0.4961 1.3611 1.3611 1.3724 1.3724
2.0109 2.0109 2.0166 2.0166 3.0021 3.0021 3.0045 3.0045
3.9455 3.9455 3.9480 3.9480 4.1981 4.1981 4.1995 4.1995
11.8480 11.8480 11.8523 11.8523 12.2818 12.2818 12.2942 12.2942
12.6649 12.6649
k = 0.3289 0.5592 0.5387 ( 4454 PWs) bands (ev):
-13.7476 -13.7476 -13.7475 -13.7475 -10.3524 -10.3524 -10.3512 -10.3512
-9.4045 -9.4045 -9.4030 -9.4030 -2.6059 -2.6059 -2.6050 -2.6050
-2.1216 -2.1216 -2.1209 -2.1209 0.2478 0.2478 0.2523 0.2523
0.4899 0.4899 0.4956 0.4956 1.3725 1.3725 1.3837 1.3837
2.0094 2.0094 2.0150 2.0150 3.0014 3.0014 3.0037 3.0037
3.9379 3.9379 3.9404 3.9404 4.2039 4.2039 4.2049 4.2049
11.8234 11.8234 11.8276 11.8276 12.2801 12.2801 12.2923 12.2923
12.6779 12.6779
k = 0.3454 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7463 -13.7463 -13.7462 -13.7462 -10.3679 -10.3679 -10.3667 -10.3667
-9.3876 -9.3876 -9.3861 -9.3861 -2.5816 -2.5816 -2.5812 -2.5812
-2.1647 -2.1647 -2.1644 -2.1644 0.2599 0.2599 0.2645 0.2645
0.4920 0.4920 0.4975 0.4975 1.3800 1.3800 1.3912 1.3912
2.0115 2.0115 2.0170 2.0170 2.9998 2.9998 3.0020 3.0020
3.9248 3.9248 3.9273 3.9273 4.2170 4.2170 4.2179 4.2179
11.7974 11.7974 11.8016 11.8016 12.2765 12.2765 12.2885 12.2885
12.6927 12.6927
k = 0.3454 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7463 -13.7463 -13.7462 -13.7462 -10.3679 -10.3679 -10.3667 -10.3667
-9.3876 -9.3876 -9.3861 -9.3861 -2.5816 -2.5816 -2.5812 -2.5812
-2.1647 -2.1647 -2.1644 -2.1644 0.2599 0.2599 0.2645 0.2645
0.4920 0.4920 0.4975 0.4975 1.3800 1.3800 1.3912 1.3912
2.0115 2.0115 2.0170 2.0170 2.9998 2.9998 3.0020 3.0020
3.9248 3.9248 3.9273 3.9273 4.2170 4.2170 4.2179 4.2179
11.7974 11.7974 11.8016 11.8016 12.2765 12.2765 12.2885 12.2885
12.6927 12.6927
k = 0.3367 0.5452 0.5387 ( 4448 PWs) bands (ev):
-13.7486 -13.7486 -13.7485 -13.7485 -10.3388 -10.3388 -10.3375 -10.3375
-9.4198 -9.4198 -9.4183 -9.4183 -2.6171 -2.6171 -2.6167 -2.6167
-2.0931 -2.0931 -2.0929 -2.0929 0.2385 0.2385 0.2431 0.2431
0.4854 0.4854 0.4913 0.4913 1.3703 1.3703 1.3815 1.3815
2.0041 2.0041 2.0099 2.0099 3.0035 3.0035 3.0059 3.0059
3.9545 3.9545 3.9571 3.9571 4.1865 4.1865 4.1874 4.1874
11.8474 11.8474 11.8518 11.8518 12.2838 12.2838 12.2962 12.2962
12.6643 12.6643
k = 0.3281 0.5312 0.5387 ( 4456 PWs) bands (ev):
-13.7511 -13.7511 -13.7510 -13.7510 -10.3083 -10.3083 -10.3070 -10.3070
-9.4525 -9.4525 -9.4509 -9.4509 -2.6545 -2.6545 -2.6541 -2.6541
-2.0198 -2.0198 -2.0198 -2.0198 0.2149 0.2149 0.2193 0.2193
0.4789 0.4789 0.4850 0.4850 1.3619 1.3619 1.3732 1.3732
1.9976 1.9976 2.0036 2.0036 3.0067 3.0067 3.0094 3.0094
3.9856 3.9856 3.9880 3.9880 4.1567 4.1567 4.1576 4.1576
11.8953 11.8953 11.8996 11.8996 12.2883 12.2883 12.3011 12.3011
12.6387 12.6387
k = 0.3195 0.5172 0.5387 ( 4456 PWs) bands (ev):
-13.7536 -13.7536 -13.7536 -13.7536 -10.2764 -10.2764 -10.2751 -10.2751
-9.4855 -9.4855 -9.4839 -9.4839 -2.6936 -2.6936 -2.6933 -2.6933
-1.9454 -1.9454 -1.9453 -1.9453 0.1890 0.1890 0.1933 0.1933
0.4723 0.4723 0.4788 0.4788 1.3550 1.3550 1.3663 1.3663
1.9920 1.9920 1.9982 1.9982 3.0097 3.0097 3.0125 3.0125
4.0178 4.0178 4.0202 4.0202 4.1278 4.1278 4.1287 4.1287
11.9392 11.9392 11.9434 11.9434 12.2892 12.2892 12.3023 12.3023
12.6176 12.6176
k = 0.3108 0.5033 0.5387 ( 4464 PWs) bands (ev):
-13.7563 -13.7563 -13.7562 -13.7562 -10.2434 -10.2434 -10.2420 -10.2420
-9.5187 -9.5187 -9.5171 -9.5171 -2.7346 -2.7346 -2.7343 -2.7343
-1.8700 -1.8700 -1.8697 -1.8697 0.1609 0.1609 0.1650 0.1650
0.4659 0.4659 0.4727 0.4727 1.3498 1.3498 1.3610 1.3610
1.9874 1.9874 1.9939 1.9939 3.0122 3.0122 3.0153 3.0153
4.0511 4.0511 4.0534 4.0534 4.1000 4.1000 4.1008 4.1008
11.9770 11.9770 11.9810 11.9810 12.2859 12.2859 12.2993 12.2993
12.6031 12.6031
k = 0.3022 0.4893 0.5387 ( 4472 PWs) bands (ev):
-13.7591 -13.7591 -13.7590 -13.7590 -10.2091 -10.2091 -10.2076 -10.2076
-9.5519 -9.5519 -9.5503 -9.5503 -2.7774 -2.7774 -2.7771 -2.7771
-1.7938 -1.7938 -1.7934 -1.7934 0.1306 0.1306 0.1346 0.1346
0.4595 0.4595 0.4667 0.4667 1.3462 1.3462 1.3573 1.3573
1.9841 1.9841 1.9908 1.9908 3.0144 3.0144 3.0177 3.0177
4.0729 4.0729 4.0739 4.0739 4.0856 4.0856 4.0881 4.0881
12.0062 12.0062 12.0099 12.0099 12.2779 12.2779 12.2914 12.2914
12.5974 12.5974
k = 0.2936 0.4753 0.5387 ( 4474 PWs) bands (ev):
-13.7619 -13.7619 -13.7618 -13.7618 -10.1736 -10.1736 -10.1721 -10.1721
-9.5852 -9.5852 -9.5836 -9.5836 -2.8218 -2.8218 -2.8215 -2.8215
-1.7172 -1.7172 -1.7166 -1.7166 0.0984 0.0984 0.1021 0.1021
0.4534 0.4534 0.4608 0.4608 1.3445 1.3445 1.3553 1.3553
1.9820 1.9820 1.9889 1.9889 3.0163 3.0163 3.0199 3.0199
4.0477 4.0477 4.0486 4.0486 4.1207 4.1207 4.1229 4.1229
12.0249 12.0249 12.0282 12.0282 12.2647 12.2647 12.2782 12.2782
12.6024 12.6024
k = 0.2849 0.4613 0.5387 ( 4474 PWs) bands (ev):
-13.7648 -13.7648 -13.7647 -13.7647 -10.1371 -10.1371 -10.1356 -10.1356
-9.6183 -9.6183 -9.6167 -9.6167 -2.8679 -2.8679 -2.8677 -2.8677
-1.6406 -1.6406 -1.6398 -1.6398 0.0643 0.0643 0.0677 0.0677
0.4474 0.4474 0.4552 0.4552 1.3444 1.3444 1.3550 1.3550
1.9812 1.9812 1.9884 1.9884 3.0179 3.0179 3.0218 3.0218
4.0237 4.0237 4.0244 4.0244 4.1566 4.1566 4.1587 4.1587
12.0320 12.0320 12.0348 12.0348 12.2462 12.2462 12.2596 12.2596
12.6189 12.6189
k = 0.2763 0.4473 0.5387 ( 4466 PWs) bands (ev):
-13.7678 -13.7678 -13.7677 -13.7677 -10.0995 -10.0995 -10.0980 -10.0980
-9.6511 -9.6511 -9.6495 -9.6495 -2.9155 -2.9155 -2.9154 -2.9154
-1.5641 -1.5641 -1.5631 -1.5631 0.0286 0.0286 0.0317 0.0317
0.4416 0.4416 0.4498 0.4498 1.3461 1.3461 1.3564 1.3564
1.9820 1.9820 1.9894 1.9894 3.0193 3.0193 3.0235 3.0235
4.0009 4.0009 4.0016 4.0016 4.1932 4.1932 4.1952 4.1952
12.0281 12.0281 12.0304 12.0304 12.2222 12.2222 12.2355 12.2355
12.6461 12.6461
k = 0.2677 0.4334 0.5387 ( 4458 PWs) bands (ev):
-13.7708 -13.7708 -13.7707 -13.7707 -10.0610 -10.0610 -10.0594 -10.0594
-9.6837 -9.6837 -9.6821 -9.6821 -2.9647 -2.9647 -2.9646 -2.9646
-1.4882 -1.4882 -1.4869 -1.4869 -0.0086 -0.0086 -0.0057 -0.0057
0.4361 0.4361 0.4446 0.4446 1.3495 1.3495 1.3595 1.3595
1.9843 1.9843 1.9919 1.9919 3.0205 3.0205 3.0250 3.0250
3.9795 3.9795 3.9802 3.9802 4.2304 4.2304 4.2322 4.2322
12.0149 12.0149 12.0168 12.0168 12.1929 12.1929 12.2060 12.2060
12.6817 12.6817
k = 0.2590 0.4194 0.5387 ( 4462 PWs) bands (ev):
-13.7739 -13.7739 -13.7738 -13.7738 -10.0216 -10.0216 -10.0199 -10.0199
-9.7158 -9.7158 -9.7142 -9.7142 -3.0153 -3.0153 -3.0152 -3.0152
-1.4130 -1.4130 -1.4115 -1.4115 -0.0470 -0.0470 -0.0444 -0.0444
0.4310 0.4310 0.4398 0.4398 1.3544 1.3544 1.3640 1.3640
1.9881 1.9881 1.9960 1.9960 3.0216 3.0216 3.0264 3.0264
3.9595 3.9595 3.9601 3.9601 4.2680 4.2680 4.2697 4.2697
11.9948 11.9948 11.9963 11.9963 12.1586 12.1586 12.1714 12.1714
12.7230 12.7230
k = 0.2504 0.4054 0.5387 ( 4458 PWs) bands (ev):
-13.7770 -13.7770 -13.7769 -13.7769 -9.9813 -9.9813 -9.9796 -9.9796
-9.7474 -9.7474 -9.7458 -9.7458 -3.0672 -3.0672 -3.0672 -3.0672
-1.3391 -1.3391 -1.3372 -1.3372 -0.0863 -0.0863 -0.0840 -0.0840
0.4263 0.4263 0.4354 0.4354 1.3608 1.3608 1.3701 1.3701
1.9935 1.9935 2.0016 2.0016 3.0227 3.0227 3.0278 3.0278
3.9409 3.9409 3.9414 3.9414 4.3059 4.3059 4.3074 4.3074
11.9697 11.9697 11.9709 11.9709 12.1197 12.1197 12.1321 12.1321
12.7673 12.7673
k = 0.2418 0.3914 0.5387 ( 4458 PWs) bands (ev):
-13.7802 -13.7802 -13.7801 -13.7801 -9.9403 -9.9403 -9.9386 -9.9386
-9.7784 -9.7784 -9.7769 -9.7769 -3.1204 -3.1204 -3.1204 -3.1204
-1.2665 -1.2665 -1.2644 -1.2644 -0.1263 -0.1263 -0.1242 -0.1242
0.4220 0.4220 0.4314 0.4314 1.3686 1.3686 1.3775 1.3775
2.0006 2.0006 2.0089 2.0089 3.0239 3.0239 3.0293 3.0293
3.9236 3.9236 3.9241 3.9241 4.3439 4.3439 4.3453 4.3453
11.9414 11.9414 11.9425 11.9425 12.0768 12.0768 12.0888 12.0888
12.8118 12.8118
k = 0.2331 0.3774 0.5387 ( 4462 PWs) bands (ev):
-13.7833 -13.7833 -13.7833 -13.7833 -9.8987 -9.8987 -9.8970 -9.8970
-9.8088 -9.8088 -9.8073 -9.8073 -3.1747 -3.1747 -3.1746 -3.1746
-1.1957 -1.1957 -1.1933 -1.1933 -0.1667 -0.1667 -0.1649 -0.1649
0.4182 0.4182 0.4279 0.4279 1.3776 1.3776 1.3861 1.3861
2.0092 2.0092 2.0177 2.0177 3.0253 3.0253 3.0310 3.0310
3.9077 3.9077 3.9081 3.9081 4.3820 4.3820 4.3833 4.3833
11.9113 11.9113 11.9122 11.9122 12.0303 12.0303 12.0419 12.0419
12.8543 12.8543
k = 0.2245 0.3635 0.5387 ( 4450 PWs) bands (ev):
-13.7866 -13.7866 -13.7865 -13.7865 -9.8566 -9.8566 -9.8548 -9.8548
-9.8384 -9.8384 -9.8371 -9.8371 -3.2300 -3.2300 -3.2298 -3.2298
-1.1268 -1.1268 -1.1241 -1.1241 -0.2074 -0.2074 -0.2058 -0.2058
0.4149 0.4149 0.4250 0.4250 1.3877 1.3877 1.3958 1.3958
2.0193 2.0193 2.0280 2.0280 3.0269 3.0269 3.0330 3.0330
3.8931 3.8931 3.8934 3.8934 4.4200 4.4200 4.4212 4.4212
11.8803 11.8803 11.8812 11.8812 11.9809 11.9809 11.9921 11.9921
12.8925 12.8925
k = 0.2159 0.3495 0.5387 ( 4448 PWs) bands (ev):
-13.7898 -13.7898 -13.7897 -13.7897 -9.8675 -9.8675 -9.8661 -9.8661
-9.8138 -9.8138 -9.8121 -9.8121 -3.2860 -3.2860 -3.2858 -3.2858
-1.0603 -1.0603 -1.0573 -1.0573 -0.2479 -0.2479 -0.2466 -0.2466
0.4123 0.4123 0.4227 0.4227 1.3987 1.3987 1.4065 1.4065
2.0307 2.0307 2.0397 2.0397 3.0290 3.0290 3.0354 3.0354
3.8797 3.8797 3.8800 3.8800 4.4578 4.4578 4.4588 4.4588
11.8493 11.8493 11.8501 11.8501 11.9292 11.9292 11.9399 11.9399
12.9243 12.9243
k = 0.2072 0.3355 0.5387 ( 4452 PWs) bands (ev):
-13.7930 -13.7930 -13.7929 -13.7929 -9.8956 -9.8956 -9.8942 -9.8942
-9.7709 -9.7709 -9.7692 -9.7692 -3.3427 -3.3427 -3.3425 -3.3425
-0.9963 -0.9963 -0.9929 -0.9929 -0.2882 -0.2882 -0.2871 -0.2871
0.4104 0.4104 0.4210 0.4210 1.4106 1.4106 1.4180 1.4180
2.0435 2.0435 2.0526 2.0526 3.0317 3.0317 3.0384 3.0384
3.8675 3.8675 3.8678 3.8678 4.4953 4.4953 4.4961 4.4961
11.8187 11.8187 11.8195 11.8195 11.8758 11.8758 11.8858 11.8858
12.9480 12.9480
k = 0.1986 0.3215 0.5387 ( 4456 PWs) bands (ev):
-13.7962 -13.7962 -13.7961 -13.7961 -9.9229 -9.9229 -9.9215 -9.9215
-9.7277 -9.7277 -9.7260 -9.7260 -3.3999 -3.3999 -3.3996 -3.3996
-0.9351 -0.9351 -0.9314 -0.9314 -0.3281 -0.3281 -0.3270 -0.3270
0.4093 0.4093 0.4201 0.4201 1.4232 1.4232 1.4302 1.4302
2.0574 2.0574 2.0666 2.0666 3.0350 3.0350 3.0420 3.0420
3.8565 3.8565 3.8567 3.8567 4.5322 4.5322 4.5329 4.5329
11.7888 11.7888 11.7898 11.7898 11.8212 11.8212 11.8306 11.8306
12.9619 12.9619
k = 0.1900 0.3075 0.5387 ( 4452 PWs) bands (ev):
-13.7993 -13.7993 -13.7992 -13.7992 -9.9492 -9.9492 -9.9479 -9.9479
-9.6844 -9.6844 -9.6827 -9.6827 -3.4574 -3.4574 -3.4571 -3.4571
-0.8768 -0.8768 -0.8729 -0.8729 -0.3672 -0.3672 -0.3663 -0.3663
0.4090 0.4090 0.4200 0.4200 1.4364 1.4364 1.4430 1.4430
2.0722 2.0722 2.0815 2.0815 3.0392 3.0392 3.0464 3.0464
3.8466 3.8466 3.8468 3.8468 4.5686 4.5686 4.5692 4.5692
11.7582 11.7582 11.7614 11.7614 11.7679 11.7679 11.7747 11.7747
12.9654 12.9654
k = 0.1813 0.2936 0.5387 ( 4454 PWs) bands (ev):
-13.8025 -13.8025 -13.8024 -13.8024 -9.9746 -9.9746 -9.9733 -9.9733
-9.6412 -9.6412 -9.6395 -9.6395 -3.5150 -3.5150 -3.5146 -3.5146
-0.8218 -0.8218 -0.8175 -0.8175 -0.4054 -0.4054 -0.4047 -0.4047
0.4096 0.4096 0.4207 0.4207 1.4499 1.4499 1.4562 1.4562
2.0877 2.0877 2.0971 2.0971 3.0443 3.0443 3.0518 3.0518
3.8377 3.8377 3.8378 3.8378 4.6043 4.6043 4.6047 4.6047
11.7083 11.7083 11.7179 11.7179 11.7350 11.7350 11.7352 11.7352
12.9583 12.9583
k = 0.1727 0.2796 0.5387 ( 4446 PWs) bands (ev):
-13.8055 -13.8055 -13.8054 -13.8054 -9.9990 -9.9990 -9.9978 -9.9978
-9.5981 -9.5981 -9.5964 -9.5964 -3.5724 -3.5724 -3.5720 -3.5720
-0.7700 -0.7700 -0.7655 -0.7655 -0.4426 -0.4426 -0.4421 -0.4421
0.4110 0.4110 0.4222 0.4222 1.4638 1.4638 1.4697 1.4697
2.1036 2.1036 2.1131 2.1131 3.0506 3.0506 3.0583 3.0583
3.8298 3.8298 3.8299 3.8299 4.6391 4.6391 4.6394 4.6394
11.6529 11.6529 11.6617 11.6617 11.7098 11.7098 11.7098 11.7098
12.9416 12.9416
k = 0.1640 0.2656 0.5387 ( 4450 PWs) bands (ev):
-13.8086 -13.8086 -13.8085 -13.8085 -10.0224 -10.0224 -10.0212 -10.0212
-9.5554 -9.5554 -9.5537 -9.5537 -3.6295 -3.6295 -3.6290 -3.6290
-0.7217 -0.7217 -0.7169 -0.7169 -0.4787 -0.4787 -0.4783 -0.4783
0.4134 0.4134 0.4247 0.4247 1.4779 1.4779 1.4835 1.4835
2.1197 2.1197 2.1292 2.1292 3.0581 3.0581 3.0660 3.0660
3.8228 3.8228 3.8228 3.8228 4.6729 4.6729 4.6731 4.6731
11.5977 11.5977 11.6060 11.6060 11.6865 11.6865 11.6866 11.6866
12.9167 12.9167
k = 0.1554 0.2516 0.5387 ( 4446 PWs) bands (ev):
-13.8115 -13.8115 -13.8114 -13.8114 -10.0447 -10.0447 -10.0436 -10.0436
-9.5132 -9.5132 -9.5115 -9.5115 -3.6860 -3.6860 -3.6855 -3.6855
-0.6769 -0.6769 -0.6719 -0.6719 -0.5134 -0.5134 -0.5131 -0.5131
0.4168 0.4168 0.4280 0.4280 1.4920 1.4920 1.4973 1.4973
2.1357 2.1357 2.1452 2.1452 3.0669 3.0669 3.0749 3.0749
3.8166 3.8166 3.8167 3.8167 4.7057 4.7057 4.7057 4.7057
11.5433 11.5433 11.5511 11.5511 11.6652 11.6652 11.6653 11.6653
12.8853 12.8853
k = 0.1468 0.2377 0.5387 ( 4446 PWs) bands (ev):
-13.8144 -13.8144 -13.8143 -13.8143 -10.0659 -10.0659 -10.0648 -10.0648
-9.4716 -9.4716 -9.4700 -9.4700 -3.7417 -3.7417 -3.7411 -3.7411
-0.6356 -0.6356 -0.6305 -0.6305 -0.5467 -0.5467 -0.5465 -0.5465
0.4211 0.4211 0.4322 0.4322 1.5061 1.5061 1.5110 1.5110
2.1514 2.1514 2.1608 2.1608 3.0771 3.0771 3.0852 3.0852
3.8112 3.8112 3.8113 3.8113 4.7372 4.7372 4.7372 4.7372
11.4901 11.4901 11.4974 11.4974 11.6460 11.6460 11.6460 11.6460
12.8494 12.8494
k = 0.1381 0.2237 0.5387 ( 4446 PWs) bands (ev):
-13.8171 -13.8171 -13.8171 -13.8171 -10.0860 -10.0860 -10.0850 -10.0850
-9.4309 -9.4309 -9.4293 -9.4293 -3.7962 -3.7962 -3.7956 -3.7956
-0.5983 -0.5983 -0.5927 -0.5927 -0.5783 -0.5783 -0.5780 -0.5780
0.4263 0.4263 0.4372 0.4372 1.5200 1.5200 1.5246 1.5246
2.1665 2.1665 2.1757 2.1757 3.0888 3.0888 3.0968 3.0968
3.8065 3.8065 3.8066 3.8066 4.7673 4.7673 4.7675 4.7675
11.4383 11.4383 11.4452 11.4452 11.6287 11.6287 11.6287 11.6287
12.8108 12.8108
k = 0.1295 0.2097 0.5387 ( 4438 PWs) bands (ev):
-13.8198 -13.8198 -13.8197 -13.8197 -10.1050 -10.1050 -10.1041 -10.1041
-9.3911 -9.3911 -9.3896 -9.3896 -3.8494 -3.8494 -3.8488 -3.8488
-0.6091 -0.6091 -0.6087 -0.6087 -0.5631 -0.5631 -0.5582 -0.5582
0.4323 0.4323 0.4429 0.4429 1.5336 1.5336 1.5379 1.5379
2.1808 2.1808 2.1897 2.1897 3.1018 3.1018 3.1098 3.1098
3.8025 3.8025 3.8026 3.8026 4.7961 4.7961 4.7963 4.7963
11.3884 11.3884 11.3948 11.3948 11.6133 11.6133 11.6134 11.6134
12.7709 12.7709
k = 0.1209 0.1957 0.5387 ( 4446 PWs) bands (ev):
-13.8224 -13.8224 -13.8223 -13.8223 -10.1229 -10.1229 -10.1220 -10.1220
-9.3526 -9.3526 -9.3512 -9.3512 -3.9009 -3.9009 -3.9003 -3.9003
-0.6374 -0.6374 -0.6372 -0.6372 -0.5323 -0.5323 -0.5273 -0.5273
0.4390 0.4390 0.4493 0.4493 1.5469 1.5469 1.5509 1.5509
2.1940 2.1940 2.2027 2.2027 3.1160 3.1160 3.1239 3.1239
3.7991 3.7991 3.7992 3.7992 4.8234 4.8234 4.8237 4.8237
11.3404 11.3404 11.3464 11.3464 11.5998 11.5998 11.5998 11.5998
12.7311 12.7311
k = 0.1122 0.1817 0.5387 ( 4450 PWs) bands (ev):
-13.8248 -13.8248 -13.8247 -13.8247 -10.1395 -10.1395 -10.1387 -10.1387
-9.3156 -9.3156 -9.3142 -9.3142 -3.9505 -3.9505 -3.9499 -3.9499
-0.6641 -0.6641 -0.6640 -0.6640 -0.5046 -0.5046 -0.4997 -0.4997
0.4463 0.4463 0.4563 0.4563 1.5597 1.5597 1.5634 1.5634
2.2062 2.2062 2.2145 2.2145 3.1314 3.1314 3.1390 3.1390
3.7962 3.7962 3.7963 3.7963 4.8490 4.8490 4.8495 4.8495
11.2948 11.2948 11.3003 11.3003 11.5880 11.5880 11.5880 11.5880
12.6925 12.6925
k = 0.1036 0.1678 0.5387 ( 4456 PWs) bands (ev):
-13.8271 -13.8271 -13.8270 -13.8270 -10.1550 -10.1550 -10.1542 -10.1542
-9.2801 -9.2801 -9.2787 -9.2787 -3.9979 -3.9979 -3.9973 -3.9973
-0.6890 -0.6890 -0.6889 -0.6889 -0.4800 -0.4800 -0.4753 -0.4753
0.4541 0.4541 0.4636 0.4636 1.5720 1.5720 1.5754 1.5754
2.2171 2.2171 2.2250 2.2250 3.1477 3.1477 3.1550 3.1550
3.7937 3.7937 3.7939 3.7939 4.8731 4.8731 4.8736 4.8736
11.2517 11.2517 11.2568 11.2568 11.5777 11.5777 11.5778 11.5778
12.6559 12.6559
k = 0.0950 0.1538 0.5387 ( 4464 PWs) bands (ev):
-13.8292 -13.8292 -13.8292 -13.8292 -10.1693 -10.1693 -10.1686 -10.1686
-9.2464 -9.2464 -9.2452 -9.2452 -4.0429 -4.0429 -4.0423 -4.0423
-0.7121 -0.7121 -0.7120 -0.7120 -0.4583 -0.4583 -0.4538 -0.4538
0.4622 0.4622 0.4711 0.4711 1.5836 1.5836 1.5867 1.5867
2.2268 2.2268 2.2342 2.2342 3.1646 3.1646 3.1715 3.1715
3.7917 3.7917 3.7919 3.7919 4.8954 4.8954 4.8959 4.8959
11.2112 11.2112 11.2159 11.2159 11.5689 11.5689 11.5689 11.5689
12.6221 12.6221
k = 0.0863 0.1398 0.5387 ( 4454 PWs) bands (ev):
-13.8312 -13.8312 -13.8312 -13.8312 -10.1824 -10.1824 -10.1817 -10.1817
-9.2148 -9.2148 -9.2136 -9.2136 -4.0850 -4.0850 -4.0845 -4.0845
-0.7333 -0.7333 -0.7332 -0.7332 -0.4393 -0.4393 -0.4350 -0.4350
0.4704 0.4704 0.4787 0.4787 1.5945 1.5945 1.5973 1.5973
2.2352 2.2352 2.2421 2.2421 3.1818 3.1818 3.1883 3.1883
3.7901 3.7901 3.7903 3.7903 4.9160 4.9160 4.9165 4.9165
11.1737 11.1737 11.1780 11.1780 11.5612 11.5612 11.5613 11.5613
12.5916 12.5916
k = 0.0777 0.1258 0.5387 ( 4462 PWs) bands (ev):
-13.8331 -13.8331 -13.8330 -13.8330 -10.1942 -10.1942 -10.1936 -10.1936
-9.1854 -9.1854 -9.1843 -9.1843 -4.1241 -4.1241 -4.1236 -4.1236
-0.7525 -0.7525 -0.7525 -0.7525 -0.4228 -0.4228 -0.4189 -0.4189
0.4785 0.4785 0.4861 0.4861 1.6046 1.6046 1.6071 1.6071
2.2425 2.2425 2.2488 2.2488 3.1990 3.1990 3.2050 3.2050
3.7888 3.7888 3.7890 3.7890 4.9347 4.9347 4.9352 4.9352
11.1393 11.1393 11.1431 11.1431 11.5546 11.5546 11.5546 11.5546
12.5646 12.5646
k = 0.0691 0.1118 0.5387 ( 4472 PWs) bands (ev):
-13.8347 -13.8347 -13.8347 -13.8347 -10.2049 -10.2049 -10.2043 -10.2043
-9.1584 -9.1584 -9.1575 -9.1575 -4.1600 -4.1600 -4.1595 -4.1595
-0.7698 -0.7698 -0.7698 -0.7698 -0.4087 -0.4087 -0.4051 -0.4051
0.4864 0.4864 0.4933 0.4933 1.6138 1.6138 1.6160 1.6160
2.2486 2.2486 2.2543 2.2543 3.2157 3.2157 3.2211 3.2211
3.7877 3.7877 3.7879 3.7879 4.9515 4.9515 4.9520 4.9520
11.1081 11.1081 11.1115 11.1115 11.5489 11.5489 11.5489 11.5489
12.5414 12.5414
k = 0.0604 0.0979 0.5387 ( 4480 PWs) bands (ev):
-13.8362 -13.8362 -13.8362 -13.8362 -10.2143 -10.2143 -10.2138 -10.2138
-9.1341 -9.1341 -9.1332 -9.1332 -4.1922 -4.1922 -4.1918 -4.1918
-0.7851 -0.7851 -0.7851 -0.7851 -0.3966 -0.3966 -0.3935 -0.3935
0.4939 0.4939 0.5000 0.5000 1.6221 1.6221 1.6241 1.6241
2.2537 2.2537 2.2587 2.2587 3.2316 3.2316 3.2364 3.2364
3.7869 3.7869 3.7871 3.7871 4.9664 4.9664 4.9669 4.9669
11.0802 11.0802 11.0832 11.0832 11.5439 11.5439 11.5440 11.5440
12.5220 12.5220
k = 0.0518 0.0839 0.5387 ( 4480 PWs) bands (ev):
-13.8375 -13.8375 -13.8375 -13.8375 -10.2224 -10.2224 -10.2220 -10.2220
-9.1126 -9.1126 -9.1118 -9.1118 -4.2207 -4.2207 -4.2203 -4.2203
-0.7984 -0.7984 -0.7983 -0.7983 -0.3866 -0.3866 -0.3838 -0.3838
0.5008 0.5008 0.5061 0.5061 1.6295 1.6295 1.6311 1.6311
2.2578 2.2578 2.2622 2.2622 3.2463 3.2463 3.2505 3.2505
3.7863 3.7863 3.7865 3.7865 4.9794 4.9794 4.9799 4.9799
11.0559 11.0559 11.0584 11.0584 11.5396 11.5396 11.5397 11.5397
12.5063 12.5063
k = 0.0432 0.0699 0.5387 ( 4472 PWs) bands (ev):
-13.8386 -13.8386 -13.8386 -13.8386 -10.2293 -10.2293 -10.2290 -10.2290
-9.0941 -9.0941 -9.0934 -9.0934 -4.2452 -4.2452 -4.2449 -4.2449
-0.8096 -0.8096 -0.8096 -0.8096 -0.3783 -0.3783 -0.3760 -0.3760
0.5070 0.5070 0.5115 0.5115 1.6358 1.6358 1.6372 1.6372
2.2612 2.2612 2.2649 2.2649 3.2594 3.2594 3.2630 3.2630
3.7859 3.7859 3.7860 3.7860 4.9904 4.9904 4.9909 4.9909
11.0351 11.0351 11.0372 11.0372 11.5360 11.5360 11.5360 11.5360
12.4940 12.4940
k = 0.0345 0.0559 0.5387 ( 4476 PWs) bands (ev):
-13.8395 -13.8395 -13.8395 -13.8395 -10.2349 -10.2349 -10.2347 -10.2347
-9.0787 -9.0787 -9.0782 -9.0782 -4.2655 -4.2655 -4.2653 -4.2653
-0.8189 -0.8189 -0.8188 -0.8188 -0.3717 -0.3717 -0.3698 -0.3698
0.5124 0.5124 0.5159 0.5159 1.6410 1.6410 1.6421 1.6421
2.2639 2.2639 2.2668 2.2668 3.2707 3.2707 3.2736 3.2736
3.7855 3.7855 3.7856 3.7856 4.9995 4.9995 4.9998 4.9998
11.0180 11.0180 11.0197 11.0197 11.5329 11.5329 11.5330 11.5330
12.4847 12.4847
k = 0.0259 0.0419 0.5387 ( 4480 PWs) bands (ev):
-13.8402 -13.8402 -13.8402 -13.8402 -10.2393 -10.2393 -10.2391 -10.2391
-9.0666 -9.0666 -9.0662 -9.0662 -4.2815 -4.2815 -4.2813 -4.2813
-0.8260 -0.8260 -0.8260 -0.8260 -0.3666 -0.3666 -0.3652 -0.3652
0.5167 0.5167 0.5194 0.5194 1.6452 1.6452 1.6460 1.6460
2.2659 2.2659 2.2681 2.2681 3.2799 3.2799 3.2821 3.2821
3.7853 3.7853 3.7854 3.7854 5.0065 5.0065 5.0068 5.0068
11.0047 11.0047 11.0060 11.0060 11.5305 11.5305 11.5306 11.5306
12.4781 12.4781
k = 0.0173 0.0280 0.5387 ( 4488 PWs) bands (ev):
-13.8407 -13.8407 -13.8407 -13.8407 -10.2424 -10.2424 -10.2423 -10.2423
-9.0578 -9.0578 -9.0575 -9.0575 -4.2930 -4.2930 -4.2928 -4.2928
-0.8312 -0.8312 -0.8312 -0.8312 -0.3630 -0.3630 -0.3620 -0.3620
0.5200 0.5200 0.5218 0.5218 1.6482 1.6482 1.6487 1.6487
2.2674 2.2674 2.2689 2.2689 3.2867 3.2867 3.2882 3.2882
3.7851 3.7851 3.7852 3.7852 5.0116 5.0116 5.0118 5.0118
10.9952 10.9952 10.9961 10.9961 11.5288 11.5288 11.5288 11.5288
12.4737 12.4737
k = 0.0086 0.0140 0.5387 ( 4480 PWs) bands (ev):
-13.8410 -13.8410 -13.8410 -13.8410 -10.2443 -10.2443 -10.2442 -10.2442
-9.0525 -9.0525 -9.0523 -9.0523 -4.2999 -4.2999 -4.2998 -4.2998
-0.8343 -0.8343 -0.8343 -0.8343 -0.3607 -0.3607 -0.3603 -0.3603
0.5222 0.5222 0.5231 0.5231 1.6501 1.6501 1.6503 1.6503
2.2684 2.2684 2.2692 2.2692 3.2910 3.2910 3.2918 3.2918
3.7851 3.7851 3.7851 3.7851 5.0146 5.0146 5.0147 5.0147
10.9896 10.9896 10.9901 10.9901 11.5277 11.5277 11.5278 11.5278
12.4713 12.4713
k = 0.0000 0.0000 0.5387 ( 4488 PWs) bands (ev):
-13.8411 -13.8411 -13.8411 -13.8411 -10.2449 -10.2449 -10.2449 -10.2449
-9.0507 -9.0507 -9.0507 -9.0507 -4.3022 -4.3022 -4.3022 -4.3022
-0.8353 -0.8353 -0.8353 -0.8353 -0.3598 -0.3598 -0.3598 -0.3598
0.5233 0.5233 0.5233 0.5233 1.6508 1.6508 1.6508 1.6508
2.2690 2.2690 2.2690 2.2690 3.2927 3.2927 3.2927 3.2927
3.7851 3.7851 3.7851 3.7851 5.0157 5.0157 5.0157 5.0157
10.9879 10.9879 10.9879 10.9879 11.5274 11.5274 11.5274 11.5274
12.4705 12.4705
k = 0.0000 0.0000 0.5387 ( 4488 PWs) bands (ev):
-13.8411 -13.8411 -13.8411 -13.8411 -10.2449 -10.2449 -10.2449 -10.2449
-9.0507 -9.0507 -9.0507 -9.0507 -4.3022 -4.3022 -4.3022 -4.3022
-0.8353 -0.8353 -0.8353 -0.8353 -0.3598 -0.3598 -0.3598 -0.3598
0.5233 0.5233 0.5233 0.5233 1.6508 1.6508 1.6508 1.6508
2.2690 2.2690 2.2690 2.2690 3.2927 3.2927 3.2927 3.2927
3.7851 3.7851 3.7851 3.7851 5.0157 5.0157 5.0157 5.0157
10.9879 10.9879 10.9879 10.9879 11.5274 11.5274 11.5274 11.5274
12.4705 12.4705
k = 0.0000 0.0000 0.5224 ( 4484 PWs) bands (ev):
-13.8524 -13.8524 -13.8300 -13.8300 -10.2869 -10.2869 -10.2019 -10.2019
-9.0554 -9.0554 -9.0464 -9.0464 -4.3042 -4.3042 -4.2978 -4.2978
-0.8521 -0.8521 -0.8179 -0.8179 -0.4509 -0.4509 -0.2796 -0.2796
0.5165 0.5165 0.5407 0.5407 1.6261 1.6261 1.6711 1.6711
2.2659 2.2659 2.2737 2.2737 3.2823 3.2823 3.3030 3.3030
3.7599 3.7599 3.8088 3.8088 4.9967 4.9967 5.0337 5.0337
10.9848 10.9848 11.0007 11.0007 11.5260 11.5260 11.5273 11.5273
12.4345 12.4345
k = 0.0000 0.0000 0.5060 ( 4490 PWs) bands (ev):
-13.8638 -13.8638 -13.8189 -13.8189 -10.3279 -10.3279 -10.1578 -10.1578
-9.0607 -9.0607 -9.0427 -9.0427 -4.3039 -4.3039 -4.2911 -4.2911
-0.8682 -0.8682 -0.8001 -0.8001 -0.5503 -0.5503 -0.2126 -0.2126
0.5183 0.5183 0.5709 0.5709 1.5972 1.5972 1.6869 1.6869
2.2642 2.2642 2.2802 2.2802 3.2718 3.2718 3.3131 3.3131
3.7335 3.7335 3.8311 3.8311 4.9768 4.9768 5.0508 5.0508
10.9914 10.9914 11.0232 11.0232 11.5238 11.5238 11.5249 11.5249
12.3984 12.3984
k = 0.0000 0.0000 0.4897 ( 4492 PWs) bands (ev):
-13.8752 -13.8752 -13.8080 -13.8080 -10.3677 -10.3677 -10.1129 -10.1129
-9.0664 -9.0664 -9.0394 -9.0394 -4.3013 -4.3013 -4.2820 -4.2820
-0.8836 -0.8836 -0.7818 -0.7818 -0.6556 -0.6556 -0.1604 -0.1604
0.5266 0.5266 0.6150 0.6150 1.5641 1.5641 1.6982 1.6982
2.2636 2.2636 2.2888 2.2888 3.2611 3.2611 3.3231 3.3231
3.7059 3.7059 3.8521 3.8521 4.9560 4.9560 5.0668 5.0668
11.0078 11.0078 11.0552 11.0552 11.5187 11.5187 11.5216 11.5216
12.3642 12.3642
k = 0.0000 0.0000 0.4734 ( 4490 PWs) bands (ev):
-13.8866 -13.8866 -13.7973 -13.7973 -10.4064 -10.4064 -10.0672 -10.0672
-9.0726 -9.0726 -9.0368 -9.0368 -4.2966 -4.2966 -4.2705 -4.2705
-0.8982 -0.8982 -0.7673 -0.7673 -0.7611 -0.7611 -0.1229 -0.1229
0.5399 0.5399 0.6725 0.6725 1.5270 1.5270 1.7048 1.7048
2.2640 2.2640 2.2997 2.2997 3.2504 3.2504 3.3329 3.3329
3.6773 3.6773 3.8717 3.8717 4.9344 4.9344 5.0817 5.0817
11.0337 11.0337 11.0964 11.0964 11.5078 11.5078 11.5197 11.5197
12.3340 12.3340
k = 0.0000 0.0000 0.4571 ( 4482 PWs) bands (ev):
-13.8980 -13.8980 -13.7867 -13.7867 -10.4439 -10.4439 -10.0207 -10.0207
-9.0791 -9.0791 -9.0346 -9.0346 -4.2897 -4.2897 -4.2566 -4.2566
-0.9119 -0.9119 -0.8776 -0.8776 -0.7442 -0.7442 -0.0987 -0.0987
0.5570 0.5570 0.7414 0.7414 1.4861 1.4861 1.7068 1.7068
2.2651 2.2651 2.3134 2.3134 3.2396 3.2396 3.3425 3.3425
3.6480 3.6480 3.8899 3.8899 4.9121 4.9121 5.0956 5.0956
11.0690 11.0690 11.1466 11.1466 11.4907 11.4907 11.5184 11.5184
12.3097 12.3097
k = 0.0000 0.0000 0.4407 ( 4474 PWs) bands (ev):
-13.9094 -13.9094 -13.7764 -13.7764 -10.4801 -10.4801 -9.9735 -9.9735
-9.0861 -9.0861 -9.0330 -9.0330 -4.2809 -4.2809 -4.2404 -4.2404
-0.9916 -0.9916 -0.9246 -0.9246 -0.7252 -0.7252 -0.0851 -0.0851
0.5772 0.5772 0.8187 0.8187 1.4416 1.4416 1.7041 1.7041
2.2669 2.2669 2.3300 2.3300 3.2288 3.2288 3.3519 3.3519
3.6181 3.6181 3.9071 3.9071 4.8892 4.8892 5.1084 5.1084
11.1134 11.1134 11.2055 11.2055 11.4666 11.4666 11.5179 11.5179
12.2929 12.2929
k = 0.0000 0.0000 0.4244 ( 4474 PWs) bands (ev):
-13.9207 -13.9207 -13.7664 -13.7664 -10.5151 -10.5151 -9.9258 -9.9258
-9.0933 -9.0933 -9.0318 -9.0318 -4.2702 -4.2702 -4.2219 -4.2219
-1.1065 -1.1065 -0.9362 -0.9362 -0.7060 -0.7060 -0.0798 -0.0798
0.5997 0.5997 0.9013 0.9013 1.3936 1.3936 1.6967 1.6967
2.2690 2.2690 2.3501 2.3501 3.2180 3.2180 3.3612 3.3612
3.5880 3.5880 3.9231 3.9231 4.8659 4.8659 5.1203 5.1203
11.1666 11.1666 11.2725 11.2725 11.4349 11.4349 11.5184 11.5184
12.2845 12.2845
k = 0.0000 0.0000 0.4081 ( 4474 PWs) bands (ev):
-13.9319 -13.9319 -13.7565 -13.7565 -10.5489 -10.5489 -9.8776 -9.8776
-9.1009 -9.1009 -9.0311 -9.0311 -4.2577 -4.2577 -4.2013 -4.2013
-1.2215 -1.2215 -0.9467 -0.9467 -0.6867 -0.6867 -0.0803 -0.0803
0.6241 0.6241 0.9863 0.9863 1.3423 1.3423 1.6846 1.6846
2.2715 2.2715 2.3739 2.3739 3.2072 3.2072 3.3702 3.3702
3.5579 3.5579 3.9383 3.9383 4.8420 4.8420 5.1311 5.1311
11.2283 11.2283 11.3473 11.3473 11.3957 11.3957 11.5198 11.5198
12.2850 12.2850
k = 0.0000 0.0000 0.3918 ( 4478 PWs) bands (ev):
-13.9430 -13.9430 -13.7470 -13.7470 -10.5813 -10.5813 -9.8290 -9.8290
-9.1087 -9.1087 -9.0309 -9.0309 -4.2436 -4.2436 -4.1786 -4.1786
-1.3360 -1.3360 -0.9560 -0.9560 -0.6674 -0.6674 -0.0851 -0.0851
0.6500 0.6500 1.0713 1.0713 1.2882 1.2882 1.6679 1.6679
2.2739 2.2739 2.4019 2.4019 3.1964 3.1964 3.3791 3.3791
3.5282 3.5282 3.9526 3.9526 4.8180 4.8180 5.1410 5.1410
11.2980 11.2980 11.3496 11.3496 11.4292 11.4292 11.5221 11.5221
12.2940 12.2940
k = 0.0000 0.0000 0.3754 ( 4466 PWs) bands (ev):
-13.9539 -13.9539 -13.7377 -13.7377 -10.6125 -10.6125 -9.7802 -9.7802
-9.1166 -9.1166 -9.0312 -9.0312 -4.2281 -4.2281 -4.1539 -4.1539
-1.4495 -1.4495 -0.9640 -0.9640 -0.6482 -0.6482 -0.0929 -0.0929
0.6771 0.6771 1.1545 1.1545 1.2313 1.2313 1.6467 1.6467
2.2764 2.2764 2.4344 2.4344 3.1857 3.1857 3.3877 3.3877
3.4992 3.4992 3.9663 3.9663 4.7937 4.7937 5.1501 5.1501
11.2973 11.2973 11.3755 11.3755 11.5174 11.5174 11.5256 11.5256
12.3108 12.3108
k = 0.0000 0.0000 0.3591 ( 4466 PWs) bands (ev):
-13.9647 -13.9647 -13.7288 -13.7288 -10.6423 -10.6423 -9.7313 -9.7313
-9.1248 -9.1248 -9.0318 -9.0318 -4.2112 -4.2112 -4.1273 -4.1273
-1.5617 -1.5617 -0.9706 -0.9706 -0.6291 -0.6291 -0.1026 -0.1026
0.7052 0.7052 1.1719 1.1719 1.2344 1.2344 1.6210 1.6210
2.2786 2.2786 2.4718 2.4718 3.1752 3.1752 3.3962 3.3962
3.4712 3.4712 3.9793 3.9793 4.7694 4.7694 5.1583 5.1583
11.2403 11.2403 11.4599 11.4599 11.5293 11.5293 11.6119 11.6119
12.3346 12.3346
k = 0.0000 0.0000 0.3428 ( 4464 PWs) bands (ev):
-13.9752 -13.9752 -13.7202 -13.7202 -10.6708 -10.6708 -9.6825 -9.6825
-9.1330 -9.1330 -9.0328 -9.0328 -4.1933 -4.1933 -4.0990 -4.0990
-1.6721 -1.6721 -0.9759 -0.9759 -0.6102 -0.6102 -0.1137 -0.1137
0.7341 0.7341 1.1105 1.1105 1.3097 1.3097 1.5912 1.5912
2.2805 2.2805 2.5141 2.5141 3.1648 3.1648 3.4042 3.4042
3.4445 3.4445 3.9920 3.9920 4.7451 4.7451 5.1658 5.1658
11.1795 11.1795 11.5339 11.5339 11.5511 11.5511 11.7108 11.7108
12.3643 12.3643
k = 0.0000 0.0000 0.3265 ( 4456 PWs) bands (ev):
-13.9854 -13.9854 -13.7119 -13.7119 -10.6980 -10.6980 -9.6338 -9.6338
-9.1413 -9.1413 -9.0341 -9.0341 -4.1743 -4.1743 -4.0692 -4.0692
-1.7803 -1.7803 -0.9797 -0.9797 -0.5914 -0.5914 -0.1256 -0.1256
0.7636 0.7636 1.0474 1.0474 1.3797 1.3797 1.5575 1.5575
2.2818 2.2818 2.5613 2.5613 3.1546 3.1546 3.4093 3.4093
3.4220 3.4220 4.0042 4.0042 4.7210 4.7210 5.1726 5.1726
11.1158 11.1158 11.5391 11.5391 11.6482 11.6482 11.8132 11.8132
12.3990 12.3990
k = 0.0000 0.0000 0.3101 ( 4466 PWs) bands (ev):
-13.9954 -13.9954 -13.7039 -13.7039 -10.7239 -10.7239 -9.5855 -9.5855
-9.1495 -9.1495 -9.0357 -9.0357 -4.1546 -4.1546 -4.0381 -4.0381
-1.8860 -1.8860 -0.9821 -0.9821 -0.5729 -0.5729 -0.1379 -0.1379
0.7935 0.7935 0.9828 0.9828 1.4438 1.4438 1.5202 1.5202
2.2826 2.2826 2.6133 2.6133 3.1447 3.1447 3.3924 3.3924
3.4227 3.4227 4.0161 4.0161 4.6973 4.6973 5.1789 5.1789
11.0502 11.0502 11.5445 11.5445 11.7510 11.7510 11.9172 11.9172
12.4378 12.4378
k = 0.0000 0.0000 0.2938 ( 4458 PWs) bands (ev):
-14.0051 -14.0051 -13.6963 -13.6963 -10.7484 -10.7484 -9.5378 -9.5378
-9.1577 -9.1577 -9.0375 -9.0375 -4.1344 -4.1344 -4.0058 -4.0058
-1.9889 -1.9889 -0.9829 -0.9829 -0.5546 -0.5546 -0.1505 -0.1505
0.8237 0.8237 0.9172 0.9172 1.4795 1.4795 1.5020 1.5020
2.2827 2.2827 2.6696 2.6696 3.1351 3.1351 3.3703 3.3703
3.4301 3.4301 4.0278 4.0278 4.6739 4.6739 5.1846 5.1846
10.9836 10.9836 11.5502 11.5502 11.8587 11.8587 12.0195 12.0195
12.4798 12.4798
k = 0.0000 0.0000 0.2775 ( 4458 PWs) bands (ev):
-14.0144 -14.0144 -13.6891 -13.6891 -10.7715 -10.7715 -9.4907 -9.4907
-9.1658 -9.1658 -9.0395 -9.0395 -4.1137 -4.1137 -3.9726 -3.9726
-2.0887 -2.0887 -0.9823 -0.9823 -0.5366 -0.5366 -0.1630 -0.1630
0.8497 0.8497 0.8552 0.8552 1.4362 1.4362 1.5541 1.5541
2.2820 2.2820 2.7294 2.7294 3.1260 3.1260 3.3495 3.3495
3.4378 3.4378 4.0392 4.0392 4.6512 4.6512 5.1900 5.1900
10.9165 10.9165 11.5558 11.5558 11.9707 11.9707 12.1144 12.1144
12.5071 12.5071
k = 0.0000 0.0000 0.2612 ( 4458 PWs) bands (ev):
-14.0234 -14.0234 -13.6822 -13.6822 -10.7933 -10.7933 -9.4446 -9.4446
-9.1737 -9.1737 -9.0418 -9.0418 -4.0929 -4.0929 -3.9387 -3.9387
-2.1850 -2.1850 -0.9801 -0.9801 -0.5189 -0.5189 -0.1754 -0.1754
0.7842 0.7842 0.8844 0.8844 1.3904 1.3904 1.6005 1.6005
2.2805 2.2805 2.7917 2.7917 3.1174 3.1174 3.3303 3.3303
3.4455 3.4455 4.0503 4.0503 4.6291 4.6291 5.1951 5.1951
10.8496 10.8496 11.5612 11.5612 12.0865 12.0865 12.1909 12.1909
12.4998 12.4998
k = 0.0000 0.0000 0.2449 ( 4458 PWs) bands (ev):
-14.0320 -14.0320 -13.6757 -13.6757 -10.8138 -10.8138 -9.3996 -9.3996
-9.1814 -9.1814 -9.0441 -9.0441 -4.0720 -4.0720 -3.9044 -3.9044
-2.2775 -2.2775 -0.9765 -0.9765 -0.5015 -0.5015 -0.1874 -0.1874
0.7177 0.7177 0.9145 0.9145 1.3428 1.3428 1.6416 1.6416
2.2782 2.2782 2.8554 2.8554 3.1098 3.1098 3.3126 3.3126
3.4530 3.4530 4.0613 4.0613 4.6077 4.6077 5.1999 5.1999
10.7835 10.7835 11.5663 11.5663 12.2050 12.2050 12.2339 12.2339
12.4940 12.4940
k = 0.0000 0.0000 0.2285 ( 4462 PWs) bands (ev):
-14.0401 -14.0401 -13.6696 -13.6696 -10.8330 -10.8330 -9.3560 -9.3560
-9.1888 -9.1888 -9.0465 -9.0465 -4.0514 -4.0514 -3.8699 -3.8699
-2.3660 -2.3660 -0.9714 -0.9714 -0.4843 -0.4843 -0.1989 -0.1989
0.6517 0.6517 0.9442 0.9442 1.2939 1.2939 1.6778 1.6778
2.2749 2.2749 2.9187 2.9187 3.1039 3.1039 3.2967 3.2967
3.4604 3.4604 4.0719 4.0719 4.5873 4.5873 5.2046 5.2046
10.7186 10.7186 11.5709 11.5709 12.2346 12.2346 12.3269 12.3269
12.4906 12.4906
k = 0.0000 0.0000 0.2122 ( 4450 PWs) bands (ev):
-14.0478 -14.0478 -13.6639 -13.6639 -10.8507 -10.8507 -9.3140 -9.3140
-9.1959 -9.1959 -9.0489 -9.0489 -4.0312 -4.0312 -3.8357 -3.8357
-2.4501 -2.4501 -0.9651 -0.9651 -0.4675 -0.4675 -0.2100 -0.2100
0.5867 0.5867 0.9734 0.9734 1.2442 1.2442 1.7097 1.7097
2.2709 2.2709 2.9785 2.9785 3.1018 3.1018 3.2822 3.2822
3.4677 3.4677 4.0822 4.0822 4.5678 4.5678 5.2092 5.2092
10.6555 10.6555 11.5749 11.5749 12.2056 12.2056 12.4497 12.4497
12.4896 12.4896
k = 0.0000 0.0000 0.1959 ( 4452 PWs) bands (ev):
-14.0550 -14.0550 -13.6587 -13.6587 -10.8672 -10.8672 -9.2737 -9.2737
-9.2027 -9.2027 -9.0514 -9.0514 -4.0116 -4.0116 -3.8019 -3.8019
-2.5295 -2.5295 -0.9576 -0.9576 -0.4510 -0.4510 -0.2204 -0.2204
0.5230 0.5230 1.0019 1.0019 1.1945 1.1945 1.7378 1.7378
2.2661 2.2661 3.0259 3.0259 3.1112 3.1112 3.2694 3.2694
3.4747 3.4747 4.0922 4.0922 4.5494 4.5494 5.2138 5.2138
10.5946 10.5946 11.5784 11.5784 12.1614 12.1614 12.4908 12.4908
12.5736 12.5736
k = 0.0000 0.0000 0.1796 ( 4452 PWs) bands (ev):
-14.0618 -14.0618 -13.6538 -13.6538 -10.8823 -10.8823 -9.2356 -9.2356
-9.2091 -9.2091 -9.0538 -9.0538 -3.9928 -3.9928 -3.7690 -3.7690
-2.6039 -2.6039 -0.9491 -0.9491 -0.4347 -0.4347 -0.2302 -0.2302
0.4611 0.4611 1.0294 1.0294 1.1452 1.1452 1.7624 1.7624
2.2606 2.2606 3.0469 3.0469 3.1455 3.1455 3.2580 3.2580
3.4815 3.4815 4.1017 4.1017 4.5321 4.5321 5.2184 5.2184
10.5364 10.5364 11.5811 11.5811 12.1114 12.1114 12.4944 12.4944
12.6975 12.6975
k = 0.0000 0.0000 0.1632 ( 4450 PWs) bands (ev):
-14.0680 -14.0680 -13.6493 -13.6493 -10.8961 -10.8961 -9.2152 -9.2152
-9.1995 -9.1995 -9.0561 -9.0561 -3.9750 -3.9750 -3.7373 -3.7373
-2.6730 -2.6730 -0.9397 -0.9397 -0.4187 -0.4187 -0.2393 -0.2393
0.4014 0.4014 1.0558 1.0558 1.0971 1.0971 1.7839 1.7839
2.2545 2.2545 3.0497 3.0497 3.1953 3.1953 3.2482 3.2482
3.4880 3.4880 4.1107 4.1107 4.5161 4.5161 5.2229 5.2229
10.4813 10.4813 11.5833 11.5833 12.0608 12.0608 12.5002 12.5002
12.8204 12.8204
k = 0.0000 0.0000 0.1469 ( 4444 PWs) bands (ev):
-14.0737 -14.0737 -13.6452 -13.6452 -10.9086 -10.9086 -9.2206 -9.2206
-9.1662 -9.1662 -9.0583 -9.0583 -3.9583 -3.9583 -3.7071 -3.7071
-2.7366 -2.7366 -0.9298 -0.9298 -0.4029 -0.4029 -0.2476 -0.2476
0.3443 0.3443 1.0507 1.0507 1.0809 1.0809 1.8027 1.8027
2.2480 2.2480 3.0472 3.0472 3.2354 3.2354 3.2516 3.2516
3.4941 3.4941 4.1192 4.1192 4.5013 4.5013 5.2275 5.2275
10.4298 10.4298 11.5849 11.5849 12.0120 12.0120 12.5078 12.5078
12.8926 12.8926
k = 0.0000 0.0000 0.1306 ( 4440 PWs) bands (ev):
-14.0788 -14.0788 -13.6416 -13.6416 -10.9197 -10.9197 -9.2256 -9.2256
-9.1356 -9.1356 -9.0604 -9.0604 -3.9430 -3.9430 -3.6788 -3.6788
-2.7944 -2.7944 -0.9195 -0.9195 -0.3873 -0.3873 -0.2551 -0.2551
0.2904 0.2904 1.0069 1.0069 1.1042 1.1042 1.8190 1.8190
2.2414 2.2414 3.0433 3.0433 3.2302 3.2302 3.2991 3.2991
3.4998 3.4998 4.1270 4.1270 4.4879 4.4879 5.2319 5.2319
10.3823 10.3823 11.5860 11.5860 11.9665 11.9665 12.5169 12.5169
12.9289 12.9289
k = 0.0000 0.0000 0.1143 ( 4444 PWs) bands (ev):
-14.0834 -14.0834 -13.6384 -13.6384 -10.9295 -10.9295 -9.2301 -9.2301
-9.1079 -9.1079 -9.0622 -9.0622 -3.9290 -3.9290 -3.6528 -3.6528
-2.8461 -2.8461 -0.9093 -0.9093 -0.3721 -0.3721 -0.2618 -0.2618
0.2400 0.2400 0.9661 0.9661 1.1257 1.1257 1.8331 1.8331
2.2347 2.2347 3.0391 3.0391 3.2239 3.2239 3.3449 3.3449
3.5051 3.5051 4.1341 4.1341 4.4760 4.4760 5.2362 5.2362
10.3392 10.3392 11.5866 11.5866 11.9252 11.9252 12.5270 12.5270
12.9608 12.9608
k = 0.0000 0.0000 0.0979 ( 4436 PWs) bands (ev):
-14.0874 -14.0874 -13.6356 -13.6356 -10.9380 -10.9380 -9.2341 -9.2341
-9.0835 -9.0835 -9.0639 -9.0639 -3.9167 -3.9167 -3.6294 -3.6294
-2.8914 -2.8914 -0.8994 -0.8994 -0.3573 -0.3573 -0.2677 -0.2677
0.1938 0.1938 0.9291 0.9291 1.1450 1.1450 1.8450 1.8450
2.2282 2.2282 3.0352 3.0352 3.2184 3.2184 3.3858 3.3858
3.5099 3.5099 4.1405 4.1405 4.4655 4.4655 5.2403 5.2403
10.3009 10.3009 11.5869 11.5869 11.8886 11.8886 12.5376 12.5376
12.9880 12.9880
k = 0.0000 0.0000 0.0816 ( 4427 PWs) bands (ev):
-14.0908 -14.0908 -13.6332 -13.6332 -10.9452 -10.9452 -9.2374 -9.2374
-9.0660 -9.0660 -9.0618 -9.0618 -3.9060 -3.9060 -3.6090 -3.6090
-2.9302 -2.9302 -0.8901 -0.8901 -0.3432 -0.3432 -0.2727 -0.2727
0.1524 0.1524 0.8965 0.8965 1.1620 1.1620 1.8549 1.8549
2.2223 2.2223 3.0317 3.0317 3.2138 3.2138 3.4212 3.4212
3.5142 3.5142 4.1459 4.1459 4.4566 4.4566 5.2441 5.2441
10.2678 10.2678 11.5869 11.5869 11.8571 11.8571 12.5482 12.5482
13.0105 13.0105
k = 0.0000 0.0000 0.0653 ( 4421 PWs) bands (ev):
-14.0936 -14.0936 -13.6313 -13.6313 -10.9511 -10.9511 -9.2402 -9.2402
-9.0668 -9.0668 -9.0448 -9.0448 -3.8971 -3.8971 -3.5918 -3.5918
-2.9622 -2.9622 -0.8820 -0.8820 -0.3301 -0.3301 -0.2768 -0.2768
0.1164 0.1164 0.8689 0.8689 1.1762 1.1762 1.8629 1.8629
2.2170 2.2170 3.0287 3.0287 3.2101 3.2101 3.4505 3.4505
3.5179 3.5179 4.1505 4.1505 4.4492 4.4492 5.2474 5.2474
10.2402 10.2402 11.5868 11.5868 11.8310 11.8310 12.5580 12.5580
13.0282 13.0282
k = 0.0000 0.0000 0.0490 ( 4419 PWs) bands (ev):
-14.0958 -14.0958 -13.6298 -13.6298 -10.9557 -10.9557 -9.2424 -9.2424
-9.0677 -9.0677 -9.0311 -9.0311 -3.8902 -3.8902 -3.5781 -3.5781
-2.9872 -2.9872 -0.8752 -0.8752 -0.3186 -0.3186 -0.2800 -0.2800
0.0867 0.0867 0.8468 0.8468 1.1876 1.1876 1.8691 1.8691
2.2126 2.2126 3.0263 3.0263 3.2073 3.2073 3.4733 3.4733
3.5211 3.5211 4.1541 4.1541 4.4434 4.4434 5.2501 5.2501
10.2185 10.2185 11.5867 11.5867 11.8105 11.8105 12.5664 12.5664
13.0415 13.0415
k = 0.0000 0.0000 0.0326 ( 4419 PWs) bands (ev):
-14.0974 -14.0974 -13.6287 -13.6287 -10.9589 -10.9589 -9.2440 -9.2440
-9.0684 -9.0684 -9.0212 -9.0212 -3.8851 -3.8851 -3.5682 -3.5682
-3.0053 -3.0053 -0.8702 -0.8702 -0.3094 -0.3094 -0.2823 -0.2823
0.0644 0.0644 0.8307 0.8307 1.1959 1.1959 1.8735 1.8735
2.2093 2.2093 3.0246 3.0246 3.2053 3.2053 3.4895 3.4895
3.5237 3.5237 4.1567 4.1567 4.4393 4.4393 5.2521 5.2521
10.2027 10.2027 11.5865 11.5865 11.7958 11.7958 12.5730 12.5730
13.0507 13.0507
k = 0.0000 0.0000 0.0163 ( 4417 PWs) bands (ev):
-14.0983 -14.0983 -13.6280 -13.6280 -10.9609 -10.9609 -9.2449 -9.2449
-9.0688 -9.0688 -9.0152 -9.0152 -3.8821 -3.8821 -3.5622 -3.5622
-3.0161 -3.0161 -0.8670 -0.8670 -0.3034 -0.3034 -0.2837 -0.2837
0.0504 0.0504 0.8208 0.8208 1.2009 1.2009 1.8761 1.8761
2.2072 2.2072 3.0235 3.0235 3.2041 3.2041 3.4989 3.4989
3.5256 3.5256 4.1583 4.1583 4.4368 4.4368 5.2533 5.2533
10.1932 10.1932 11.5864 11.5864 11.7869 11.7869 12.5771 12.5771
13.0560 13.0560
k = 0.0000 0.0000 0.0000 ( 4413 PWs) bands (ev):
-14.0986 -14.0986 -13.6278 -13.6278 -10.9615 -10.9615 -9.2452 -9.2452
-9.0690 -9.0690 -9.0132 -9.0132 -3.8811 -3.8811 -3.5601 -3.5601
-3.0197 -3.0197 -0.8660 -0.8660 -0.3013 -0.3013 -0.2841 -0.2841
0.0456 0.0456 0.8176 0.8176 1.2026 1.2026 1.8770 1.8770
2.2066 2.2066 3.0232 3.0232 3.2037 3.2037 3.5019 3.5019
3.5264 3.5264 4.1588 4.1588 4.4360 4.4360 5.2538 5.2538
10.1901 10.1901 11.5863 11.5863 11.7840 11.7840 12.5786 12.5786
13.0578 13.0578
k = 0.0000 0.0000 0.0000 ( 4413 PWs) bands (ev):
-14.0986 -14.0986 -13.6278 -13.6278 -10.9615 -10.9615 -9.2452 -9.2452
-9.0690 -9.0690 -9.0132 -9.0132 -3.8811 -3.8811 -3.5601 -3.5601
-3.0197 -3.0197 -0.8660 -0.8660 -0.3013 -0.3013 -0.2841 -0.2841
0.0456 0.0456 0.8176 0.8176 1.2026 1.2026 1.8770 1.8770
2.2066 2.2066 3.0232 3.0232 3.2037 3.2037 3.5019 3.5019
3.5264 3.5264 4.1588 4.1588 4.4360 4.4360 5.2538 5.2538
10.1901 10.1901 11.5863 11.5863 11.7840 11.7840 12.5786 12.5786
13.0578 13.0578
k =-0.0139 0.0086 0.0000 ( 4417 PWs) bands (ev):
-14.0982 -14.0982 -13.6279 -13.6278 -10.9629 -10.9629 -9.2451 -9.2450
-9.0697 -9.0692 -9.0129 -9.0122 -3.8789 -3.8787 -3.5622 -3.5620
-3.0168 -3.0166 -0.8670 -0.8667 -0.3030 -0.3028 -0.2826 -0.2825
0.0446 0.0446 0.8163 0.8164 1.2039 1.2039 1.8784 1.8784
2.2064 2.2066 3.0221 3.0223 3.2010 3.2011 3.5012 3.5013
3.5255 3.5255 4.1591 4.1593 4.4371 4.4372 5.2531 5.2531
10.1934 10.1934 11.5735 11.5742 11.7961 11.7964 12.5785 12.5785
13.0562 13.0565
k =-0.0278 0.0172 0.0000 ( 4423 PWs) bands (ev):
-14.0969 -14.0969 -13.6279 -13.6279 -10.9668 -10.9668 -9.2446 -9.2444
-9.0714 -9.0703 -9.0116 -9.0102 -3.8721 -3.8717 -3.5681 -3.5677
-3.0081 -3.0077 -0.8700 -0.8694 -0.3081 -0.3077 -0.2777 -0.2777
0.0415 0.0415 0.8127 0.8129 1.2077 1.2078 1.8827 1.8828
2.2063 2.2066 3.0189 3.0195 3.1930 3.1934 3.4992 3.4993
3.5227 3.5227 4.1600 4.1604 4.4406 4.4408 5.2511 5.2512
10.2034 10.2034 11.5425 11.5438 11.8261 11.8268 12.5782 12.5782
13.0516 13.0523
k =-0.0417 0.0257 0.0000 ( 4425 PWs) bands (ev):
-14.0948 -14.0947 -13.6281 -13.6280 -10.9734 -10.9733 -9.2437 -9.2435
-9.0738 -9.0723 -9.0093 -9.0073 -3.8607 -3.8600 -3.5774 -3.5767
-2.9939 -2.9934 -0.8747 -0.8738 -0.3164 -0.3158 -0.2698 -0.2697
0.0363 0.0363 0.8067 0.8070 1.2140 1.2141 1.8898 1.8900
2.2061 2.2065 3.0137 3.0146 3.1801 3.1806 3.4958 3.4960
3.5182 3.5183 4.1617 4.1622 4.4463 4.4466 5.2479 5.2479
10.2200 10.2201 11.5029 11.5048 11.8643 11.8656 12.5777 12.5778
13.0445 13.0454
k =-0.0556 0.0343 0.0000 ( 4433 PWs) bands (ev):
-14.0918 -14.0917 -13.6282 -13.6281 -10.9824 -10.9823 -9.2425 -9.2422
-9.0766 -9.0748 -9.0062 -9.0038 -3.8447 -3.8439 -3.5895 -3.5887
-2.9749 -2.9742 -0.8812 -0.8800 -0.3279 -0.3271 -0.2587 -0.2586
0.0291 0.0291 0.7983 0.7987 1.2228 1.2230 1.8997 1.9000
2.2058 2.2064 3.0062 3.0073 3.1626 3.1633 3.4911 3.4913
3.5121 3.5121 4.1640 4.1647 4.4541 4.4545 5.2434 5.2435
10.2431 10.2432 11.4601 11.4625 11.9056 11.9073 12.5771 12.5772
13.0350 13.0361
k =-0.0694 0.0429 0.0000 ( 4427 PWs) bands (ev):
-14.0879 -14.0879 -13.6284 -13.6283 -10.9939 -10.9938 -9.2410 -9.2406
-9.0797 -9.0777 -9.0026 -8.9999 -3.8243 -3.8233 -3.6039 -3.6028
-2.9517 -2.9508 -0.8892 -0.8878 -0.3424 -0.3415 -0.2447 -0.2445
0.0199 0.0199 0.7877 0.7882 1.2341 1.2343 1.9123 1.9126
2.2054 2.2062 2.9959 2.9974 3.1410 3.1419 3.4850 3.4853
3.5044 3.5044 4.1671 4.1679 4.4638 4.4642 5.2377 5.2378
10.2724 10.2725 11.4166 11.4194 11.9472 11.9493 12.5764 12.5765
13.0235 13.0249
k =-0.0833 0.0515 0.0000 ( 4427 PWs) bands (ev):
-14.0833 -14.0833 -13.6286 -13.6285 -11.0078 -11.0076 -9.2392 -9.2388
-9.0829 -9.0807 -8.9987 -8.9957 -3.7994 -3.7982 -3.6198 -3.6185
-2.9249 -2.9239 -0.8988 -0.8970 -0.3599 -0.3587 -0.2277 -0.2275
0.0088 0.0088 0.7748 0.7754 1.2478 1.2480 1.9273 1.9277
2.2050 2.2059 2.9823 2.9842 3.1161 3.1173 3.4774 3.4777
3.4953 3.4953 4.1709 4.1717 4.4752 4.4756 5.2309 5.2310
10.3078 10.3079 11.3738 11.3771 11.9879 11.9904 12.5756 12.5757
13.0105 13.0120
k =-0.0972 0.0600 0.0000 ( 4431 PWs) bands (ev):
-14.0779 -14.0778 -13.6289 -13.6287 -11.0238 -11.0237 -9.2372 -9.2367
-9.0860 -9.0838 -8.9946 -8.9914 -3.7702 -3.7688 -3.6367 -3.6353
-2.8952 -2.8939 -0.9097 -0.9077 -0.3801 -0.3787 -0.2081 -0.2079
-0.0042 -0.0041 0.7597 0.7604 1.2638 1.2640 1.9447 1.9452
2.2046 2.2056 2.9646 2.9668 3.0892 3.0906 3.4682 3.4686
3.4851 3.4851 4.1753 4.1762 4.4880 4.4884 5.2230 5.2231
10.3489 10.3490 11.3326 11.3363 12.0267 12.0296 12.5747 12.5748
12.9962 12.9978
k =-0.1111 0.0686 0.0000 ( 4425 PWs) bands (ev):
-14.0717 -14.0716 -13.6292 -13.6290 -11.0419 -11.0418 -9.2350 -9.2344
-9.0891 -9.0868 -8.9904 -8.9871 -3.7368 -3.7352 -3.6542 -3.6526
-2.8631 -2.8616 -0.9219 -0.9196 -0.4029 -0.4013 -0.1858 -0.1856
-0.0189 -0.0188 0.7425 0.7432 1.2820 1.2822 1.9643 1.9648
2.2041 2.2052 2.9417 2.9442 3.0617 3.0632 3.4573 3.4577
3.4740 3.4741 4.1805 4.1814 4.5019 4.5023 5.2142 5.2143
10.3955 10.3956 11.2937 11.2977 12.0631 12.0663 12.5740 12.5740
12.9811 12.9827
k =-0.1250 0.0772 0.0000 ( 4433 PWs) bands (ev):
-14.0647 -14.0647 -13.6296 -13.6293 -11.0619 -11.0618 -9.2326 -9.2320
-9.0919 -9.0896 -8.9863 -8.9828 -3.6992 -3.6974 -3.6719 -3.6702
-2.8289 -2.8272 -0.9352 -0.9326 -0.4280 -0.4261 -0.1611 -0.1608
-0.0353 -0.0352 0.7231 0.7239 1.3024 1.3026 1.9859 1.9865
2.2035 2.2048 2.9127 2.9153 3.0349 3.0364 3.4445 3.4449
3.4624 3.4626 4.1862 4.1871 4.5168 4.5171 5.2044 5.2045
10.4471 10.4473 11.2574 11.2618 12.0965 12.0999 12.5734 12.5734
12.9652 12.9669
k =-0.1389 0.0858 0.0000 ( 4439 PWs) bands (ev):
-14.0571 -14.0570 -13.6299 -13.6297 -11.0836 -11.0835 -9.2301 -9.2294
-9.0945 -9.0922 -8.9824 -8.9787 -3.6894 -3.6876 -3.6577 -3.6557
-2.7930 -2.7911 -0.9495 -0.9467 -0.4553 -0.4531 -0.1339 -0.1337
-0.0533 -0.0531 0.7016 0.7025 1.3249 1.3251 2.0093 2.0099
2.2029 2.2043 2.8774 2.8800 3.0096 3.0109 3.4298 3.4302
3.4502 3.4505 4.1924 4.1933 4.5322 4.5325 5.1939 5.1940
10.5035 10.5037 11.2243 11.2290 12.1264 12.1300 12.5733 12.5734
12.9489 12.9506
k =-0.1528 0.0944 0.0000 ( 4439 PWs) bands (ev):
-14.0488 -14.0487 -13.6303 -13.6301 -11.1069 -11.1068 -9.2275 -9.2268
-9.0968 -9.0945 -8.9786 -8.9749 -3.7066 -3.7047 -3.6123 -3.6101
-2.7559 -2.7537 -0.9648 -0.9618 -0.4845 -0.4820 -0.1046 -0.1043
-0.0727 -0.0724 0.6781 0.6790 1.3493 1.3495 2.0343 2.0350
2.2022 2.2038 2.8363 2.8387 2.9855 2.9865 3.4135 3.4139
3.4376 3.4380 4.1990 4.1999 4.5481 4.5482 5.1828 5.1829
10.5642 10.5645 11.1946 11.1996 12.1524 12.1562 12.5738 12.5739
12.9322 12.9339
k =-0.1667 0.1029 0.0000 ( 4449 PWs) bands (ev):
-14.0398 -14.0398 -13.6307 -13.6304 -11.1316 -11.1314 -9.2249 -9.2242
-9.0988 -9.0965 -8.9751 -8.9712 -3.7232 -3.7212 -3.5631 -3.5607
-2.7176 -2.7152 -0.9810 -0.9777 -0.5153 -0.5125 -0.0937 -0.0935
-0.0728 -0.0726 0.6525 0.6535 1.3756 1.3757 2.0607 2.0614
2.2015 2.2033 2.7905 2.7927 2.9619 2.9626 3.3956 3.3960
3.4245 3.4250 4.2060 4.2069 4.5641 4.5642 5.1710 5.1711
10.6289 10.6292 11.1686 11.1739 12.1743 12.1780 12.5751 12.5754
12.9152 12.9168
k =-0.1806 0.1115 0.0000 ( 4449 PWs) bands (ev):
-14.0303 -14.0303 -13.6312 -13.6309 -11.1574 -11.1573 -9.2222 -9.2215
-9.1005 -9.0981 -8.9718 -8.9679 -3.7390 -3.7370 -3.5104 -3.5078
-2.6786 -2.6759 -0.9980 -0.9945 -0.5475 -0.5444 -0.1157 -0.1154
-0.0394 -0.0392 0.6249 0.6260 1.4037 1.4037 2.0883 2.0890
2.2009 2.2028 2.7412 2.7432 2.9382 2.9386 3.3762 3.3767
3.4108 3.4114 4.2133 4.2141 4.5801 4.5801 5.1589 5.1590
10.6972 10.6975 11.1466 11.1521 12.1917 12.1954 12.5776 12.5780
12.8980 12.8996
k =-0.1944 0.1201 0.0000 ( 4457 PWs) bands (ev):
-14.0203 -14.0202 -13.6316 -13.6313 -11.1842 -11.1841 -9.2196 -9.2189
-9.1017 -9.0993 -8.9689 -8.9649 -3.7541 -3.7520 -3.4543 -3.4516
-2.6389 -2.6359 -1.0159 -1.0121 -0.5809 -0.5774 -0.1389 -0.1386
-0.0039 -0.0037 0.5954 0.5965 1.4333 1.4334 2.1168 2.1176
2.2003 2.2023 2.6894 2.6912 2.9139 2.9139 3.3556 3.3560
3.3966 3.3972 4.2207 4.2214 4.5958 4.5959 5.1465 5.1466
10.7685 10.7689 11.1286 11.1343 12.2046 12.2080 12.5812 12.5818
12.8806 12.8822
k =-0.2083 0.1287 0.0000 ( 4457 PWs) bands (ev):
-14.0098 -14.0097 -13.6321 -13.6318 -11.2118 -11.2117 -9.2171 -9.2163
-9.1026 -9.1002 -8.9663 -8.9623 -3.7682 -3.7660 -3.3950 -3.3920
-2.5987 -2.5956 -1.0345 -1.0305 -0.6151 -0.6113 -0.1632 -0.1627
0.0333 0.0335 0.5639 0.5650 1.4644 1.4646 2.1459 2.1468
2.1997 2.2020 2.6359 2.6376 2.8884 2.8886 3.3337 3.3342
3.3819 3.3826 4.2281 4.2288 4.6112 4.6114 5.1339 5.1340
10.8426 10.8430 11.1149 11.1207 12.2128 12.2160 12.5860 12.5868
12.8630 12.8645
k =-0.2222 0.1373 0.0000 ( 4461 PWs) bands (ev):
-13.9989 -13.9988 -13.6325 -13.6322 -11.2400 -11.2398 -9.2146 -9.2139
-9.1031 -9.1007 -8.9642 -8.9601 -3.7813 -3.7791 -3.3326 -3.3295
-2.5584 -2.5550 -1.0540 -1.0497 -0.6500 -0.6459 -0.1883 -0.1877
0.0721 0.0723 0.5305 0.5317 1.4969 1.4971 2.1754 2.1763
2.1995 2.2018 2.5814 2.5830 2.8619 2.8624 3.3106 3.3112
3.3667 3.3674 4.2355 4.2361 4.6260 4.6264 5.1212 5.1213
10.9190 10.9195 11.1055 11.1115 12.2165 12.2195 12.5918 12.5928
12.8452 12.8466
k =-0.2361 0.1458 0.0000 ( 4457 PWs) bands (ev):
-13.9877 -13.9876 -13.6330 -13.6327 -11.2685 -11.2684 -9.2123 -9.2115
-9.1032 -9.1007 -8.9624 -8.9583 -3.7934 -3.7912 -3.2674 -3.2641
-2.5179 -2.5143 -1.0742 -1.0697 -0.6852 -0.6807 -0.2141 -0.2134
0.1124 0.1125 0.4953 0.4966 1.5305 1.5309 2.1980 2.2005
2.2062 2.2072 2.5267 2.5283 2.8345 2.8352 3.2864 3.2870
3.3510 3.3518 4.2427 4.2432 4.6403 4.6408 5.1086 5.1087
10.9973 10.9978 11.1004 11.1065 12.2160 12.2188 12.5985 12.5995
12.8272 12.8285
k =-0.2500 0.1544 0.0000 ( 4456 PWs) bands (ev):
-13.9762 -13.9761 -13.6335 -13.6332 -11.2972 -11.2971 -9.2100 -9.2093
-9.1028 -9.1004 -8.9610 -8.9569 -3.8044 -3.8023 -3.1995 -3.1960
-2.4776 -2.4737 -1.0953 -1.0906 -0.7206 -0.7157 -0.2405 -0.2398
0.1538 0.1540 0.4586 0.4599 1.5651 1.5657 2.1987 2.2016
2.2344 2.2358 2.4724 2.4739 2.8064 2.8074 3.2610 3.2618
3.3350 3.3358 4.2497 4.2501 4.6540 4.6545 5.0961 5.0963
11.0771 11.0777 11.0997 11.1058 12.2117 12.2142 12.6056 12.6067
12.8090 12.8102
k =-0.2639 0.1630 0.0000 ( 4460 PWs) bands (ev):
-13.9645 -13.9644 -13.6340 -13.6337 -11.3259 -11.3257 -9.2079 -9.2071
-9.1021 -9.0997 -8.9601 -8.9559 -3.8145 -3.8123 -3.1292 -3.1255
-2.4375 -2.4334 -1.1174 -1.1124 -0.7558 -0.7506 -0.2674 -0.2665
0.1961 0.1963 0.4206 0.4219 1.6005 1.6013 2.1991 2.2022
2.2621 2.2637 2.4191 2.4208 2.7781 2.7792 3.2346 3.2354
3.3185 3.3194 4.2563 4.2567 4.6669 4.6674 5.0840 5.0841
11.1033 11.1094 11.1579 11.1585 12.2040 12.2062 12.6128 12.6139
12.7906 12.7918
k =-0.2778 0.1716 0.0000 ( 4464 PWs) bands (ev):
-13.9527 -13.9527 -13.6345 -13.6342 -11.3543 -11.3542 -9.2059 -9.2052
-9.1010 -9.0986 -8.9595 -8.9554 -3.8235 -3.8214 -3.0566 -3.0528
-2.3979 -2.3936 -1.1405 -1.1352 -0.7905 -0.7851 -0.2946 -0.2936
0.2383 0.2385 0.3823 0.3837 1.6365 1.6375 2.1999 2.2032
2.2865 2.2888 2.3684 2.3706 2.7501 2.7515 3.2072 3.2080
3.3016 3.3025 4.2626 4.2630 4.6790 4.6796 5.0721 5.0723
11.1110 11.1172 11.2394 11.2400 12.1932 12.1952 12.6198 12.6209
12.7721 12.7731
k =-0.2917 0.1801 0.0000 ( 4460 PWs) bands (ev):
-13.9410 -13.9409 -13.6349 -13.6346 -11.3822 -11.3821 -9.2040 -9.2033
-9.0996 -9.0971 -8.9594 -8.9553 -3.8315 -3.8295 -2.9821 -2.9781
-2.3589 -2.3544 -1.1647 -1.1592 -0.8247 -0.8189 -0.3218 -0.3208
0.2756 0.2759 0.3485 0.3497 1.6729 1.6740 2.2012 2.2048
2.2940 2.2968 2.3340 2.3365 2.7235 2.7251 3.1787 3.1797
3.2844 3.2853 4.2685 4.2688 4.6903 4.6910 5.0607 5.0609
11.1229 11.1290 11.3210 11.3217 12.1797 12.1814 12.6262 12.6273
12.7535 12.7545
k =-0.3056 0.1887 0.0000 ( 4458 PWs) bands (ev):
-13.9293 -13.9292 -13.6354 -13.6351 -11.4096 -11.4095 -9.2023 -9.2017
-9.0978 -9.0953 -8.9597 -8.9556 -3.8386 -3.8366 -2.9057 -2.9016
-2.3207 -2.3160 -1.1902 -1.1845 -0.8579 -0.8519 -0.3490 -0.3478
0.2778 0.2789 0.3494 0.3499 1.7092 1.7106 2.2033 2.2071
2.2580 2.2587 2.3438 2.3440 2.6996 2.7015 3.1494 3.1504
3.2668 3.2678 4.2739 4.2741 4.7008 4.7015 5.0499 5.0500
11.1385 11.1446 11.4024 11.4031 12.1637 12.1652 12.6320 12.6329
12.7349 12.7359
k =-0.3194 0.1973 0.0000 ( 4466 PWs) bands (ev):
-13.9178 -13.9177 -13.6358 -13.6356 -11.4360 -11.4360 -9.2007 -9.2001
-9.0957 -9.0932 -8.9604 -8.9564 -3.8447 -3.8428 -2.8279 -2.8236
-2.2835 -2.2787 -1.2173 -1.2113 -0.8900 -0.8838 -0.3759 -0.3747
0.2427 0.2441 0.3874 0.3876 1.7453 1.7469 2.2061 2.2100
2.2131 2.2131 2.3575 2.3579 2.6804 2.6824 3.1191 3.1203
3.2488 3.2498 4.2788 4.2790 4.7105 4.7112 5.0396 5.0397
11.1579 11.1638 11.4830 11.4838 12.1454 12.1466 12.6369 12.6376
12.7166 12.7175
k =-0.3333 0.2059 0.0000 ( 4462 PWs) bands (ev):
-13.9065 -13.9065 -13.6363 -13.6360 -11.4615 -11.4614 -9.1993 -9.1987
-9.0932 -9.0908 -8.9614 -8.9575 -3.8500 -3.8482 -2.7488 -2.7443
-2.2474 -2.2425 -1.2461 -1.2399 -0.9208 -0.9143 -0.4024 -0.4011
0.2014 0.2028 0.4314 0.4316 1.7806 1.7825 2.1682 2.1682
2.2105 2.2148 2.3652 2.3659 2.6680 2.6701 3.0882 3.0894
3.2305 3.2315 4.2832 4.2833 4.7193 4.7201 5.0299 5.0300
11.1806 11.1864 11.5625 11.5633 12.1250 12.1260 12.6409 12.6413
12.6987 12.6997
k =-0.3472 0.2145 0.0000 ( 4460 PWs) bands (ev):
-13.8957 -13.8956 -13.6367 -13.6364 -11.4857 -11.4857 -9.1980 -9.1975
-9.0906 -9.0882 -8.9628 -8.9589 -3.8545 -3.8528 -2.6687 -2.6640
-2.2129 -2.2079 -1.2768 -1.2704 -0.9499 -0.9434 -0.4281 -0.4268
0.1590 0.1605 0.4765 0.4766 1.8147 1.8168 2.1257 2.1257
2.2161 2.2206 2.3648 2.3655 2.6640 2.6661 3.0565 3.0579
3.2118 3.2128 4.2870 4.2872 4.7274 4.7281 5.0209 5.0210
11.2065 11.2121 11.6402 11.6411 12.1026 12.1034 12.6436 12.6437
12.6818 12.6829
k =-0.3611 0.2230 0.0000 ( 4462 PWs) bands (ev):
-13.8853 -13.8853 -13.6370 -13.6368 -11.5086 -11.5085 -9.1969 -9.1964
-9.0877 -9.0853 -8.9644 -8.9607 -3.8583 -3.8567 -2.5879 -2.5830
-2.1799 -2.1750 -1.3098 -1.3032 -0.9773 -0.9707 -0.4530 -0.4515
0.1170 0.1185 0.5214 0.5215 1.8471 1.8495 2.0856 2.0857
2.2234 2.2281 2.3560 2.3567 2.6686 2.6706 3.0245 3.0259
3.1928 3.1937 4.2904 4.2905 4.7347 4.7354 5.0125 5.0127
11.2351 11.2405 11.7157 11.7166 12.0784 12.0789 12.6436 12.6444
12.6668 12.6684
k =-0.3750 0.2316 0.0000 ( 4458 PWs) bands (ev):
-13.8756 -13.8755 -13.6374 -13.6372 -11.5299 -11.5298 -9.1958 -9.1954
-9.0847 -9.0824 -8.9663 -8.9627 -3.8615 -3.8600 -2.5067 -2.5016
-2.1489 -2.1440 -1.3452 -1.3385 -1.0026 -0.9961 -0.4766 -0.4752
0.0761 0.0776 0.5653 0.5655 1.8773 1.8798 2.0482 2.0483
2.2327 2.2376 2.3405 2.3410 2.6806 2.6824 2.9922 2.9937
3.1734 3.1744 4.2933 4.2934 4.7412 4.7419 5.0050 5.0051
11.2661 11.2713 11.7882 11.7891 12.0524 12.0527 12.6384 12.6397
12.6575 12.6594
k =-0.3889 0.2402 0.0000 ( 4460 PWs) bands (ev):
-13.8665 -13.8665 -13.6377 -13.6375 -11.5494 -11.5493 -9.1949 -9.1945
-9.0816 -9.0793 -8.9683 -8.9650 -3.8640 -3.8627 -2.4254 -2.4201
-2.1200 -2.1153 -1.3835 -1.3766 -1.0257 -1.0194 -0.4988 -0.4974
0.0372 0.0387 0.6078 0.6079 1.9046 1.9073 2.0136 2.0136
2.2442 2.2492 2.3206 2.3210 2.6978 2.6995 2.9599 2.9615
3.1539 3.1548 4.2958 4.2959 4.7470 4.7476 4.9982 4.9982
11.2989 11.3039 11.8572 11.8581 12.0249 12.0250 12.6276 12.6285
12.6553 12.6567
k =-0.4028 0.2488 0.0000 ( 4472 PWs) bands (ev):
-13.8582 -13.8582 -13.6380 -13.6378 -11.5670 -11.5670 -9.1942 -9.1938
-9.0785 -9.0763 -8.9705 -8.9673 -3.8660 -3.8648 -2.3443 -2.3388
-2.0936 -2.0892 -1.4249 -1.4179 -1.0465 -1.0405 -0.5193 -0.5179
0.0009 0.0023 0.6481 0.6482 1.9286 1.9314 1.9819 1.9820
2.2580 2.2630 2.2986 2.2989 2.7183 2.7198 2.9281 2.9297
3.1342 3.1351 4.2978 4.2979 4.7521 4.7526 4.9921 4.9922
11.3331 11.3378 11.9218 11.9227 11.9960 11.9962 12.6155 12.6162
12.6552 12.6562
k =-0.4167 0.2573 0.0000 ( 4474 PWs) bands (ev):
-13.8508 -13.8508 -13.6383 -13.6381 -11.5826 -11.5826 -9.1935 -9.1932
-9.0754 -9.0734 -8.9726 -8.9697 -3.8676 -3.8666 -2.2638 -2.2581
-2.0699 -2.0658 -1.4696 -1.4625 -1.0647 -1.0592 -0.5377 -0.5365
-0.0321 -0.0309 0.6855 0.6856 1.9482 1.9513 1.9538 1.9543
2.2728 2.2764 2.2777 2.2788 2.7404 2.7418 2.8972 2.8988
3.1146 3.1155 4.2995 4.2995 4.7564 4.7569 4.9869 4.9869
11.3680 11.3723 11.9662 11.9665 11.9814 11.9821 12.6043 12.6048
12.6555 12.6561
k =-0.4306 0.2659 0.0000 ( 4470 PWs) bands (ev):
-13.8444 -13.8444 -13.6385 -13.6383 -11.5961 -11.5960 -9.1929 -9.1927
-9.0724 -9.0707 -8.9746 -8.9721 -3.8688 -3.8680 -2.1842 -2.1783
-2.0491 -2.0455 -1.5178 -1.5107 -1.0803 -1.0754 -0.5539 -0.5528
-0.0613 -0.0601 0.7192 0.7193 1.9279 1.9281 1.9663 1.9685
2.2553 2.2555 2.2916 2.2957 2.7629 2.7641 2.8680 2.8696
3.0953 3.0962 4.3008 4.3009 4.7601 4.7605 4.9824 4.9825
11.4028 11.4066 11.9363 11.9369 12.0343 12.0350 12.5946 12.5950
12.6557 12.6561
k =-0.4444 0.2745 0.0000 ( 4474 PWs) bands (ev):
-13.8391 -13.8390 -13.6386 -13.6385 -11.6072 -11.6072 -9.1925 -9.1923
-9.0698 -9.0682 -8.9765 -8.9744 -3.8697 -3.8690 -2.1060 -2.0999
-2.0316 -2.0286 -1.5697 -1.5625 -1.0931 -1.0889 -0.5676 -0.5666
-0.0859 -0.0849 0.7485 0.7486 1.9064 1.9066 1.9795 1.9814
2.2369 2.2370 2.3092 2.3129 2.7847 2.7857 2.8413 2.8428
3.0770 3.0778 4.3019 4.3019 4.7631 4.7634 4.9788 4.9788
11.4362 11.4396 11.9071 11.9079 12.0799 12.0806 12.5867 12.5871
12.6558 12.6562
k =-0.4583 0.2831 0.0000 ( 4472 PWs) bands (ev):
-13.8348 -13.8348 -13.6388 -13.6387 -11.6160 -11.6160 -9.1921 -9.1920
-9.0675 -9.0662 -8.9780 -8.9763 -3.8703 -3.8698 -2.0294 -2.0231
-2.0176 -2.0152 -1.6253 -1.6182 -1.1029 -1.0997 -0.5784 -0.5777
-0.1056 -0.1048 0.7724 0.7725 1.8891 1.8892 1.9895 1.9910
2.2217 2.2218 2.3259 2.3289 2.8043 2.8053 2.8183 2.8197
3.0603 3.0610 4.3026 4.3027 4.7654 4.7656 4.9759 4.9759
11.4668 11.4696 11.8802 11.8810 12.1171 12.1177 12.5807 12.5810
12.6559 12.6561
k =-0.4722 0.2917 0.0000 ( 4476 PWs) bands (ev):
-13.8317 -13.8317 -13.6389 -13.6388 -11.6223 -11.6223 -9.1919 -9.1917
-9.0657 -9.0648 -8.9791 -8.9780 -3.8707 -3.8704 -2.0073 -2.0057
-1.9549 -1.9484 -1.6845 -1.6775 -1.1098 -1.1076 -0.5863 -0.5858
-0.1198 -0.1193 0.7902 0.7902 1.8762 1.8763 1.9964 1.9974
2.2104 2.2105 2.3399 2.3420 2.8003 2.8011 2.8209 2.8214
3.0464 3.0470 4.3032 4.3032 4.7670 4.7672 4.9739 4.9739
11.4923 11.4943 11.8577 11.8583 12.1446 12.1450 12.5766 12.5768
12.6560 12.6561
k =-0.4861 0.3002 0.0000 ( 4470 PWs) bands (ev):
-13.8299 -13.8299 -13.6389 -13.6389 -11.6261 -11.6261 -9.1917 -9.1916
-9.0644 -9.0640 -8.9797 -8.9791 -3.8709 -3.8707 -2.0009 -2.0000
-1.8828 -1.8762 -1.7473 -1.7404 -1.1138 -1.1126 -0.5910 -0.5908
-0.1285 -0.1282 0.8012 0.8012 1.8683 1.8684 2.0006 2.0011
2.2035 2.2035 2.3495 2.3506 2.7889 2.7894 2.8319 2.8322
3.0371 3.0374 4.3035 4.3035 4.7680 4.7681 4.9727 4.9727
11.5098 11.5109 11.8423 11.8427 12.1616 12.1618 12.5742 12.5744
12.6560 12.6561
k =-0.5000 0.3088 0.0000 ( 4474 PWs) bands (ev):
-13.8292 -13.8292 -13.6389 -13.6389 -11.6274 -11.6274 -9.1916 -9.1916
-9.0638 -9.0638 -8.9797 -8.9797 -3.8709 -3.8709 -1.9984 -1.9984
-1.8137 -1.8137 -1.8065 -1.8065 -1.1147 -1.1147 -0.5925 -0.5925
-0.1313 -0.1313 0.8049 0.8049 1.8657 1.8657 2.0021 2.0021
2.2011 2.2011 2.3532 2.3532 2.7851 2.7851 2.8359 2.8359
3.0338 3.0338 4.3036 4.3036 4.7684 4.7684 4.9723 4.9723
11.5164 11.5164 11.8369 11.8369 12.1674 12.1674 12.5735 12.5735
12.6560 12.6560
k =-0.5000 0.3088 0.0000 ( 4474 PWs) bands (ev):
-13.8292 -13.8292 -13.6389 -13.6389 -11.6274 -11.6274 -9.1916 -9.1916
-9.0638 -9.0638 -8.9797 -8.9797 -3.8709 -3.8709 -1.9984 -1.9984
-1.8137 -1.8137 -1.8065 -1.8065 -1.1147 -1.1147 -0.5925 -0.5925
-0.1313 -0.1313 0.8049 0.8049 1.8657 1.8657 2.0021 2.0021
2.2011 2.2011 2.3532 2.3532 2.7851 2.7851 2.8359 2.8359
3.0338 3.0338 4.3036 4.3036 4.7684 4.7684 4.9723 4.9723
11.5164 11.5164 11.8369 11.8369 12.1674 12.1674 12.5735 12.5735
12.6560 12.6560
k =-0.4914 0.3227-0.0000 ( 4466 PWs) bands (ev):
-13.8294 -13.8294 -13.6390 -13.6390 -11.6265 -11.6265 -9.2006 -9.1988
-9.0634 -9.0632 -8.9742 -8.9721 -3.8707 -3.8706 -2.0033 -2.0028
-1.8129 -1.8128 -1.7993 -1.7992 -1.1156 -1.1154 -0.6031 -0.6000
-0.1247 -0.1214 0.8042 0.8046 1.8632 1.8647 2.0014 2.0053
2.2016 2.2042 2.3510 2.3519 2.7861 2.7861 2.8340 2.8350
3.0338 3.0338 4.3043 4.3047 4.7650 4.7658 4.9711 4.9718
11.5179 11.5180 11.8378 11.8378 12.1708 12.1708 12.5474 12.5629
12.6703 12.6854
k =-0.4828 0.3366-0.0000 ( 4476 PWs) bands (ev):
-13.8297 -13.8297 -13.6391 -13.6391 -11.6237 -11.6237 -9.2229 -9.2200
-9.0619 -9.0614 -8.9579 -8.9542 -3.8699 -3.8698 -2.0152 -2.0141
-1.8140 -1.8139 -1.7760 -1.7756 -1.1182 -1.1178 -0.6297 -0.6241
-0.1032 -0.0971 0.8025 0.8033 1.8577 1.8605 2.0030 2.0104
2.2056 2.2106 2.3454 2.3472 2.7890 2.7892 2.8294 2.8314
3.0336 3.0336 4.3070 4.3078 4.7558 4.7572 4.9682 4.9697
11.5225 11.5225 11.8405 11.8405 12.1810 12.1811 12.5120 12.5311
12.7129 12.7311
k =-0.4742 0.3505-0.0000 ( 4468 PWs) bands (ev):
-13.8303 -13.8302 -13.6393 -13.6393 -11.6190 -11.6190 -9.2541 -9.2506
-9.0594 -9.0585 -8.9352 -8.9305 -3.8686 -3.8684 -2.0297 -2.0282
-1.8167 -1.8166 -1.7413 -1.7406 -1.1224 -1.1217 -0.6683 -0.6609
-0.0704 -0.0623 0.7998 0.8009 1.8501 1.8536 2.0065 2.0164
2.2132 2.2203 2.3364 2.3390 2.7939 2.7942 2.8221 2.8251
3.0333 3.0334 4.3116 4.3128 4.7409 4.7429 4.9637 4.9658
11.5299 11.5301 11.8450 11.8451 12.1973 12.1976 12.4780 12.4982
12.7640 12.7828
k =-0.4656 0.3645-0.0000 ( 4466 PWs) bands (ev):
-13.8311 -13.8310 -13.6397 -13.6397 -11.6124 -11.6124 -9.2908 -9.2871
-9.0557 -9.0546 -8.9096 -8.9043 -3.8668 -3.8666 -2.0439 -2.0420
-1.8207 -1.8206 -1.6986 -1.6976 -1.1281 -1.1272 -0.7152 -0.7067
-0.0303 -0.0208 0.7961 0.7975 1.8413 1.8452 2.0110 2.0224
2.2246 2.2331 2.3239 2.3274 2.8007 2.8012 2.8122 2.8162
3.0330 3.0331 4.3181 4.3197 4.7208 4.7233 4.9573 4.9599
11.5401 11.5405 11.8512 11.8513 12.2187 12.2193 12.4487 12.4694
12.8195 12.8382
k =-0.4570 0.3784-0.0000 ( 4466 PWs) bands (ev):
-13.8321 -13.8321 -13.6401 -13.6400 -11.6040 -11.6040 -9.3311 -9.3273
-9.0510 -9.0496 -8.8834 -8.8776 -3.8646 -3.8643 -2.0560 -2.0537
-1.8258 -1.8257 -1.6500 -1.6487 -1.1354 -1.1342 -0.7675 -0.7583
0.0142 0.0246 0.7912 0.7930 1.8321 1.8359 2.0156 2.0278
2.2394 2.2488 2.3079 2.3122 2.7997 2.8045 2.8097 2.8105
3.0327 3.0327 4.3264 4.3284 4.6959 4.6988 4.9489 4.9519
11.5528 11.5534 11.8591 11.8593 12.2426 12.2436 12.4270 12.4480
12.8782 12.8967
k =-0.4485 0.3923-0.0000 ( 4460 PWs) bands (ev):
-13.8334 -13.8333 -13.6405 -13.6405 -11.5937 -11.5937 -9.3737 -9.3700
-9.0453 -9.0436 -8.8576 -8.8514 -3.8619 -3.8616 -2.0650 -2.0623
-1.8321 -1.8319 -1.5966 -1.5948 -1.1440 -1.1427 -0.8234 -0.8138
0.0611 0.0721 0.7851 0.7873 1.8230 1.8266 2.0201 2.0322
2.2573 2.2671 2.2883 2.2935 2.7849 2.7907 2.8205 2.8215
3.0323 3.0324 4.3365 4.3388 4.6668 4.6700 4.9385 4.9418
11.5677 11.5688 11.8687 11.8689 12.2646 12.2653 12.4183 12.4387
12.9397 12.9579
k =-0.4399 0.4062-0.0000 ( 4462 PWs) bands (ev):
-13.8349 -13.8349 -13.6410 -13.6410 -11.5816 -11.5815 -9.4181 -9.4144
-9.0385 -9.0366 -8.8329 -8.8264 -3.8589 -3.8584 -2.0705 -2.0675
-1.8395 -1.8393 -1.5389 -1.5367 -1.1540 -1.1524 -0.8817 -0.8719
0.1092 0.1206 0.7777 0.7802 1.8144 1.8178 2.0240 2.0357
2.2651 2.2699 2.2792 2.2877 2.7678 2.7746 2.8334 2.8347
3.0320 3.0322 4.3484 4.3511 4.6339 4.6372 4.9261 4.9296
11.5845 11.5861 11.8799 11.8801 12.2770 12.2780 12.4301 12.4482
13.0036 13.0214
k =-0.4313 0.4201-0.0000 ( 4462 PWs) bands (ev):
-13.8367 -13.8366 -13.6416 -13.6416 -11.5676 -11.5675 -9.4638 -9.4602
-9.0307 -9.0285 -8.8097 -8.8030 -3.8555 -3.8550 -2.0722 -2.0689
-1.8480 -1.8478 -1.4774 -1.4749 -1.1652 -1.1634 -0.9414 -0.9314
0.1576 0.1693 0.7690 0.7718 1.8068 1.8099 2.0275 2.0383
2.2383 2.2446 2.3013 2.3102 2.7487 2.7563 2.8483 2.8500
3.0318 3.0321 4.3619 4.3649 4.5976 4.6011 4.9117 4.9153
11.6027 11.6050 11.8926 11.8928 12.2771 12.2804 12.4638 12.4787
13.0696 13.0868
k =-0.4227 0.4340-0.0000 ( 4462 PWs) bands (ev):
-13.8387 -13.8387 -13.6422 -13.6422 -11.5518 -11.5517 -9.5104 -9.5070
-9.0219 -9.0195 -8.7882 -8.7813 -3.8519 -3.8513 -2.0700 -2.0664
-1.8576 -1.8574 -1.4127 -1.4098 -1.1776 -1.1754 -1.0019 -0.9919
0.2057 0.2177 0.7588 0.7619 1.8003 1.8031 2.0304 2.0402
2.2078 2.2149 2.3259 2.3340 2.7278 2.7362 2.8652 2.8675
3.0318 3.0323 4.3770 4.3804 4.5585 4.5620 4.8954 4.8991
11.6218 11.6250 11.9067 11.9069 12.2719 12.2766 12.5132 12.5257
13.1257 13.1283
k =-0.4141 0.4479-0.0000 ( 4466 PWs) bands (ev):
-13.8411 -13.8410 -13.6428 -13.6428 -11.5341 -11.5340 -9.5578 -9.5545
-9.0122 -9.0095 -8.7687 -8.7616 -3.8481 -3.8474 -2.0640 -2.0601
-1.8683 -1.8681 -1.3450 -1.3417 -1.1908 -1.1884 -1.0626 -1.0527
0.2532 0.2654 0.7470 0.7504 1.7952 1.7977 2.0328 2.0415
2.1737 2.1814 2.3517 2.3589 2.7052 2.7144 2.8841 2.8871
3.0321 3.0329 4.3937 4.3974 4.5169 4.5205 4.8774 4.8812
11.6411 11.6454 11.9221 11.9223 12.2667 12.2717 12.5729 12.5839
13.0846 13.0872
k =-0.4055 0.4618-0.0000 ( 4464 PWs) bands (ev):
-13.8437 -13.8437 -13.6435 -13.6435 -11.5146 -11.5145 -9.6056 -9.6024
-9.0016 -8.9986 -8.7511 -8.7439 -3.8441 -3.8435 -2.0542 -2.0501
-1.8801 -1.8798 -1.2749 -1.2710 -1.2050 -1.2023 -1.1227 -1.1130
0.2999 0.3122 0.7336 0.7372 1.7917 1.7939 2.0350 2.0424
2.1359 2.1441 2.3781 2.3843 2.6812 2.6911 2.9048 2.9089
3.0328 3.0342 4.4117 4.4158 4.4734 4.4769 4.8579 4.8616
11.6602 11.6657 11.9386 11.9389 12.2647 12.2691 12.6400 12.6500
13.0352 13.0378
k =-0.3969 0.4757-0.0000 ( 4456 PWs) bands (ev):
-13.8466 -13.8466 -13.6441 -13.6441 -11.4933 -11.4932 -9.6537 -9.6507
-8.9901 -8.9869 -8.7357 -8.7283 -3.8402 -3.8395 -2.0409 -2.0366
-1.8930 -1.8927 -1.2201 -1.2167 -1.2089 -1.2022 -1.1753 -1.1683
0.3455 0.3579 0.7184 0.7222 1.7899 1.7918 2.0368 2.0432
2.0945 2.1031 2.4049 2.4099 2.6559 2.6665 2.9272 2.9327
3.0342 3.0365 4.4282 4.4296 4.4333 4.4355 4.8369 4.8406
11.6781 11.6850 11.9561 11.9564 12.2674 12.2709 12.7127 12.7221
12.9814 12.9839
k =-0.3883 0.4896-0.0000 ( 4464 PWs) bands (ev):
-13.8499 -13.8498 -13.6447 -13.6447 -11.4702 -11.4701 -9.7020 -9.6992
-8.9778 -8.9743 -8.7223 -8.7148 -3.8363 -3.8355 -2.0245 -2.0200
-1.9069 -1.9066 -1.2463 -1.2349 -1.2342 -1.2316 -1.1225 -1.1188
0.3899 0.4024 0.7013 0.7054 1.7899 1.7917 2.0382 2.0438
2.0498 2.0584 2.4315 2.4353 2.6297 2.6407 2.9507 2.9583
3.0366 3.0404 4.3818 4.3851 4.4519 4.4564 4.8148 4.8184
11.6944 11.7027 11.9744 11.9746 12.2760 12.2781 12.7900 12.7990
12.9250 12.9274
k =-0.3797 0.5035-0.0000 ( 4464 PWs) bands (ev):
-13.8534 -13.8533 -13.6453 -13.6452 -11.4453 -11.4452 -9.7504 -9.7476
-8.9647 -8.9609 -8.7111 -8.7035 -3.8326 -3.8318 -2.0056 -2.0009
-1.9219 -1.9215 -1.3023 -1.2916 -1.2502 -1.2469 -1.0457 -1.0414
0.4331 0.4456 0.6824 0.6866 1.7919 1.7935 2.0006 2.0101
2.0406 2.0446 2.4576 2.4602 2.6025 2.6141 2.9741 2.9851
3.0408 3.0472 4.3344 4.3377 4.4737 4.4785 4.7918 4.7953
11.7086 11.7182 11.9932 11.9934 12.2909 12.2916 12.8670 12.8678
12.8728 12.8801
k =-0.3711 0.5175-0.0000 ( 4460 PWs) bands (ev):
-13.8573 -13.8572 -13.6458 -13.6458 -11.4187 -11.4185 -9.7986 -9.7960
-8.9508 -8.9468 -8.7019 -8.6942 -3.8292 -3.8283 -1.9849 -1.9801
-1.9380 -1.9376 -1.3569 -1.3463 -1.2659 -1.2622 -0.9664 -0.9617
0.4751 0.4876 0.6615 0.6659 1.7959 1.7974 1.9487 1.9584
2.0424 2.0454 2.4829 2.4842 2.5748 2.5867 2.9952 3.0103
3.0496 3.0594 4.2865 4.2896 4.4965 4.5016 4.7679 4.7713
11.7202 11.7312 12.0123 12.0124 12.3119 12.3126 12.8086 12.8105
12.9554 12.9640
k =-0.3625 0.5314-0.0000 ( 4464 PWs) bands (ev):
-13.8615 -13.8614 -13.6462 -13.6462 -11.3903 -11.3901 -9.8465 -9.8441
-8.9363 -8.9320 -8.6948 -8.6871 -3.8262 -3.8253 -1.9639 -1.9587
-1.9548 -1.9547 -1.4080 -1.3974 -1.2814 -1.2774 -0.8853 -0.8802
0.5158 0.5284 0.6386 0.6432 1.8020 1.8034 1.8935 1.9033
2.0444 2.0465 2.5069 2.5070 2.5465 2.5587 3.0114 3.0278
3.0692 3.0796 4.2382 4.2412 4.5203 4.5255 4.7435 4.7468
11.7294 11.7414 12.0313 12.0313 12.3389 12.3409 12.7496 12.7513
13.0421 13.0506
k =-0.3540 0.5453-0.0000 ( 4468 PWs) bands (ev):
-13.8660 -13.8659 -13.6466 -13.6466 -11.3602 -11.3600 -9.8942 -9.8919
-8.9211 -8.9166 -8.6897 -8.6819 -3.8237 -3.8228 -1.9736 -1.9729
-1.9434 -1.9388 -1.4538 -1.4431 -1.2965 -1.2922 -0.8027 -0.7973
0.5553 0.5680 0.6138 0.6184 1.8103 1.8117 1.8352 1.8452
2.0466 2.0479 2.5174 2.5281 2.5299 2.5306 3.0229 3.0376
3.0996 3.1075 4.1899 4.1927 4.5448 4.5503 4.7186 4.7218
11.7363 11.7491 12.0496 12.0497 12.3724 12.3757 12.6906 12.6920
13.1307 13.1391
k =-0.3454 0.5592-0.0000 ( 4464 PWs) bands (ev):
-13.8708 -13.8707 -13.6469 -13.6469 -11.3283 -11.3281 -9.9414 -9.9392
-8.9054 -8.9007 -8.6865 -8.6787 -3.8218 -3.8208 -1.9930 -1.9923
-1.9275 -1.9230 -1.4914 -1.4806 -1.3111 -1.3065 -0.7190 -0.7132
0.5868 0.5903 0.5952 0.6067 1.7740 1.7838 1.8211 1.8223
2.0492 2.0498 2.4885 2.5014 2.5484 2.5509 3.0321 3.0452
3.1353 3.1409 4.1416 4.1444 4.5700 4.5757 4.6935 4.6965
11.7411 11.7546 12.0665 12.0669 12.4120 12.4162 12.6324 12.6333
13.2206 13.2291
k =-0.3454 0.5592-0.0000 ( 4464 PWs) bands (ev):
-13.8708 -13.8707 -13.6469 -13.6469 -11.3283 -11.3281 -9.9414 -9.9392
-8.9054 -8.9007 -8.6865 -8.6787 -3.8218 -3.8208 -1.9930 -1.9923
-1.9275 -1.9230 -1.4914 -1.4806 -1.3111 -1.3065 -0.7190 -0.7132
0.5868 0.5903 0.5952 0.6067 1.7740 1.7838 1.8211 1.8223
2.0492 2.0498 2.4885 2.5014 2.5484 2.5509 3.0321 3.0452
3.1353 3.1409 4.1416 4.1444 4.5700 4.5757 4.6935 4.6965
11.7411 11.7546 12.0665 12.0669 12.4120 12.4162 12.6324 12.6333
13.2206 13.2291
k =-0.3454 0.5592 0.0163 ( 4456 PWs) bands (ev):
-13.8706 -13.8706 -13.6470 -13.6470 -11.3274 -11.3272 -9.9409 -9.9387
-8.9077 -8.9030 -8.6874 -8.6796 -3.8195 -3.8185 -1.9935 -1.9928
-1.9352 -1.9306 -1.4812 -1.4705 -1.3095 -1.3049 -0.7226 -0.7168
0.5874 0.5912 0.5966 0.6083 1.7720 1.7817 1.8195 1.8207
2.0503 2.0509 2.4878 2.5006 2.5502 2.5527 3.0310 3.0438
3.1375 3.1429 4.1414 4.1441 4.5696 4.5752 4.6929 4.6960
11.7386 11.7520 12.0657 12.0660 12.4130 12.4171 12.6277 12.6286
13.2261 13.2346
k =-0.3454 0.5592 0.0326 ( 4453 PWs) bands (ev):
-13.8702 -13.8701 -13.6473 -13.6473 -11.3246 -11.3243 -9.9392 -9.9370
-8.9146 -8.9099 -8.6901 -8.6823 -3.8126 -3.8117 -1.9949 -1.9941
-1.9562 -1.9515 -1.4527 -1.4421 -1.3048 -1.3002 -0.7331 -0.7275
0.5893 0.5935 0.6011 0.6129 1.7657 1.7752 1.8148 1.8160
2.0535 2.0540 2.4856 2.4981 2.5556 2.5582 3.0277 3.0400
3.1436 3.1484 4.1408 4.1435 4.5681 4.5737 4.6912 4.6942
11.7310 11.7443 12.0631 12.0634 12.4161 12.4197 12.6136 12.6144
13.2426 13.2507
k =-0.3454 0.5592 0.0490 ( 4459 PWs) bands (ev):
-13.8694 -13.8693 -13.6478 -13.6478 -11.3198 -11.3196 -9.9364 -9.9343
-8.9259 -8.9213 -8.6945 -8.6868 -3.8012 -3.8003 -1.9974 -1.9964
-1.9862 -1.9816 -1.4101 -1.3997 -1.2969 -1.2923 -0.7504 -0.7450
0.5925 0.5970 0.6086 0.6203 1.7554 1.7646 1.8075 1.8087
2.0585 2.0589 2.4819 2.4940 2.5646 2.5671 3.0230 3.0345
3.1529 3.1570 4.1398 4.1424 4.5657 4.5712 4.6883 4.6913
11.7191 11.7322 12.0588 12.0591 12.4211 12.4241 12.5903 12.5912
13.2690 13.2768
k =-0.3454 0.5592 0.0653 ( 4467 PWs) bands (ev):
-13.8683 -13.8683 -13.6485 -13.6485 -11.3132 -11.3130 -9.9325 -9.9304
-8.9417 -8.9371 -8.7007 -8.6930 -3.7854 -3.7846 -2.0220 -2.0169
-2.0002 -1.9997 -1.3575 -1.3471 -1.2858 -1.2813 -0.7740 -0.7689
0.5970 0.6016 0.6187 0.6301 1.7411 1.7498 1.7979 1.7991
2.0650 2.0653 2.4766 2.4881 2.5768 2.5794 3.0174 3.0281
3.1645 3.1680 4.1383 4.1409 4.5622 4.5677 4.6842 4.6872
11.7038 11.7166 12.0529 12.0532 12.4279 12.4301 12.5584 12.5593
13.2937 13.2938
k =-0.3454 0.5592 0.0816 ( 4455 PWs) bands (ev):
-13.8670 -13.8669 -13.6494 -13.6494 -11.3048 -11.3046 -9.9275 -9.9254
-8.9618 -8.9572 -8.7087 -8.7011 -3.7654 -3.7646 -2.0596 -2.0545
-2.0044 -2.0039 -1.2980 -1.2875 -1.2712 -1.2671 -0.8033 -0.7985
0.6027 0.6074 0.6308 0.6418 1.7230 1.7312 1.7867 1.7880
2.0727 2.0728 2.4695 2.4803 2.5920 2.5946 3.0114 3.0216
3.1779 3.1808 4.1365 4.1391 4.5577 4.5632 4.6789 4.6818
11.6860 11.6987 12.0455 12.0458 12.4365 12.4378 12.5188 12.5197
13.2865 13.2867
k =-0.3454 0.5592 0.0979 ( 4449 PWs) bands (ev):
-13.8653 -13.8652 -13.6504 -13.6504 -11.2944 -11.2942 -9.9214 -9.9193
-8.9859 -8.9814 -8.7183 -8.7108 -3.7414 -3.7407 -2.0977 -2.0926
-2.0097 -2.0091 -1.2546 -1.2497 -1.2323 -1.2228 -0.8376 -0.8332
0.6097 0.6145 0.6443 0.6547 1.7013 1.7088 1.7744 1.7757
2.0812 2.0813 2.4605 2.4705 2.6099 2.6126 3.0055 3.0152
3.1925 3.1951 4.1344 4.1369 4.5522 4.5576 4.6724 4.6753
11.6670 11.6795 12.0366 12.0368 12.4466 12.4470 12.4729 12.4737
13.2794 13.2798
k =-0.3454 0.5592 0.1143 ( 4451 PWs) bands (ev):
-13.8633 -13.8632 -13.6517 -13.6517 -11.2822 -11.2820 -9.9142 -9.9121
-9.0140 -9.0096 -8.7296 -8.7222 -3.7136 -3.7130 -2.1350 -2.1301
-2.0159 -2.0153 -1.2335 -1.2290 -1.1642 -1.1544 -0.8763 -0.8722
0.6179 0.6228 0.6586 0.6684 1.6761 1.6830 1.7614 1.7629
2.0902 2.0905 2.4494 2.4586 2.6301 2.6329 2.9998 3.0091
3.2082 3.2105 4.1320 4.1344 4.5456 4.5509 4.6647 4.6675
11.6479 11.6602 12.0259 12.0261 12.4217 12.4225 12.4582 12.4587
13.2726 13.2730
k =-0.3454 0.5592 0.1306 ( 4455 PWs) bands (ev):
-13.8611 -13.8610 -13.6532 -13.6532 -11.2681 -11.2680 -9.9058 -9.9039
-9.0457 -9.0414 -8.7426 -8.7353 -3.6823 -3.6819 -2.1708 -2.1660
-2.0231 -2.0225 -1.2094 -1.2050 -1.0936 -1.0839 -0.9181 -0.9144
0.6275 0.6325 0.6731 0.6822 1.6478 1.6539 1.7483 1.7499
2.0997 2.1002 2.4361 2.4443 2.6521 2.6551 2.9947 3.0037
3.2248 3.2270 4.1294 4.1317 4.5378 4.5431 4.6558 4.6585
11.6295 11.6417 12.0130 12.0132 12.3686 12.3693 12.4704 12.4718
13.2658 13.2663
k =-0.3454 0.5592 0.1469 ( 4465 PWs) bands (ev):
-13.8586 -13.8585 -13.6548 -13.6548 -11.2522 -11.2520 -9.8964 -9.8945
-9.0809 -9.0768 -8.7571 -8.7500 -3.6479 -3.6476 -2.2046 -2.2000
-2.0314 -2.0308 -1.1820 -1.1777 -1.0249 -1.0163 -0.9589 -0.9544
0.6383 0.6434 0.6873 0.6957 1.6165 1.6218 1.7355 1.7371
2.1095 2.1103 2.4205 2.4276 2.6756 2.6787 2.9903 2.9991
3.2422 3.2443 4.1266 4.1289 4.5289 4.5341 4.6457 4.6483
11.6128 11.6250 11.9971 11.9972 12.3155 12.3162 12.4841 12.4863
13.2586 13.2591
k =-0.3454 0.5592 0.1632 ( 4463 PWs) bands (ev):
-13.8558 -13.8557 -13.6567 -13.6567 -11.2344 -11.2343 -9.8859 -9.8841
-9.1193 -9.1153 -8.7731 -8.7662 -3.6107 -3.6104 -2.2361 -2.2316
-2.0408 -2.0402 -1.1513 -1.1472 -1.0219 -1.0191 -0.9351 -0.9252
0.6503 0.6556 0.7007 0.7084 1.5824 1.5869 1.7232 1.7250
2.1195 2.1205 2.4023 2.4084 2.7000 2.7032 2.9868 2.9954
3.2602 3.2623 4.1238 4.1259 4.5187 4.5239 4.6343 4.6369
11.5986 11.6107 11.9766 11.9767 12.2657 12.2663 12.4991 12.5021
13.2503 13.2508
k =-0.3454 0.5592 0.1796 ( 4464 PWs) bands (ev):
-13.8527 -13.8526 -13.6587 -13.6587 -11.2148 -11.2147 -9.8744 -9.8726
-9.1607 -9.1568 -8.7906 -8.7838 -3.5709 -3.5707 -2.2650 -2.2607
-2.0513 -2.0507 -1.1174 -1.1133 -1.0694 -1.0672 -0.8616 -0.8515
0.6637 0.6690 0.7130 0.7199 1.5458 1.5495 1.7119 1.7139
2.1296 2.1308 2.3815 2.3865 2.7247 2.7280 2.9844 2.9928
3.2789 3.2809 4.1209 4.1230 4.5074 4.5124 4.6217 4.6242
11.5874 11.5996 11.9499 11.9499 12.2224 12.2230 12.5153 12.5190
13.2405 13.2410
k =-0.3454 0.5592 0.1959 ( 4467 PWs) bands (ev):
-13.8494 -13.8494 -13.6609 -13.6609 -11.1934 -11.1934 -9.8618 -9.8601
-9.2048 -9.2011 -8.8094 -8.8029 -3.5289 -3.5289 -2.2911 -2.2870
-2.0629 -2.0623 -1.1218 -1.1197 -1.0797 -1.0760 -0.7846 -0.7744
0.6783 0.6838 0.7238 0.7300 1.5069 1.5098 1.7019 1.7041
2.1396 2.1410 2.3580 2.3618 2.7491 2.7526 2.9834 2.9916
3.2981 3.3002 4.1181 4.1201 4.4947 4.4996 4.6080 4.6104
11.5798 11.5919 11.9155 11.9157 12.1885 12.1891 12.5324 12.5369
13.2285 13.2290
k =-0.3454 0.5592 0.2122 ( 4464 PWs) bands (ev):
-13.8459 -13.8458 -13.6634 -13.6633 -11.1702 -11.1702 -9.8481 -9.8465
-9.2514 -9.2477 -8.8296 -8.8233 -3.4851 -3.4850 -2.3144 -2.3105
-2.0756 -2.0751 -1.1756 -1.1738 -1.0391 -1.0356 -0.7065 -0.6964
0.6941 0.6998 0.7329 0.7384 1.4659 1.4680 1.6934 1.6958
2.1494 2.1510 2.3316 2.3344 2.7726 2.7762 2.9841 2.9921
3.3179 3.3201 4.1155 4.1175 4.4806 4.4855 4.5932 4.5954
11.5760 11.5882 11.8740 11.8743 12.1648 12.1653 12.5503 12.5555
13.2137 13.2143
k =-0.3454 0.5592 0.2285 ( 4463 PWs) bands (ev):
-13.8421 -13.8421 -13.6660 -13.6660 -11.1452 -11.1452 -9.8334 -9.8318
-9.3001 -9.2966 -8.8511 -8.8450 -3.4398 -3.4396 -2.3347 -2.3311
-2.0895 -2.0890 -1.2306 -1.2291 -0.9952 -0.9918 -0.6282 -0.6182
0.7112 0.7170 0.7402 0.7449 1.4230 1.4243 1.6867 1.6893
2.1588 2.1606 2.3025 2.3040 2.7945 2.7981 2.9869 2.9945
3.3384 3.3407 4.1132 4.1151 4.4652 4.4699 4.5773 4.5794
11.5764 11.5887 11.8275 11.8280 12.1503 12.1509 12.5687 12.5746
13.1956 13.1962
k =-0.3454 0.5592 0.2449 ( 4471 PWs) bands (ev):
-13.8382 -13.8381 -13.6688 -13.6687 -11.1185 -11.1184 -9.8176 -9.8162
-9.3508 -9.3474 -8.8737 -8.8678 -3.3933 -3.3930 -2.3521 -2.3486
-2.1046 -2.1041 -1.2864 -1.2852 -0.9480 -0.9449 -0.5501 -0.5401
0.7294 0.7352 0.7456 0.7495 1.3784 1.3790 1.6821 1.6850
2.1676 2.1697 2.2704 2.2709 2.8141 2.8176 2.9919 2.9991
3.3596 3.3620 4.1112 4.1130 4.4484 4.4530 4.5604 4.5624
11.5812 11.5936 11.7788 11.7795 12.1433 12.1439 12.5872 12.5938
13.1734 13.1741
k =-0.3454 0.5592 0.2612 ( 4467 PWs) bands (ev):
-13.8340 -13.8339 -13.6717 -13.6717 -11.0900 -11.0899 -9.8009 -9.7995
-9.4032 -9.3999 -8.8975 -8.8918 -3.3458 -3.3454 -2.3664 -2.3632
-2.1209 -2.1204 -1.3425 -1.3415 -0.8977 -0.8949 -0.4726 -0.4626
0.7478 0.7481 0.7526 0.7556 1.3323 1.3324 1.6797 1.6829
2.1756 2.1779 2.2349 2.2356 2.8311 2.8343 2.9993 3.0058
3.3816 3.3841 4.1097 4.1115 4.4301 4.4346 4.5427 4.5445
11.5905 11.6029 11.7304 11.7314 12.1421 12.1427 12.6054 12.6127
13.1464 13.1473
k =-0.3454 0.5592 0.2775 ( 4468 PWs) bands (ev):
-13.8296 -13.8296 -13.6749 -13.6749 -11.0598 -11.0597 -9.7831 -9.7819
-9.4570 -9.4539 -8.9222 -8.9168 -3.2977 -3.2972 -2.3777 -2.3747
-2.1383 -2.1379 -1.3988 -1.3980 -0.8443 -0.8418 -0.3960 -0.3861
0.7492 0.7520 0.7694 0.7757 1.2844 1.2851 1.6799 1.6833
2.1824 2.1848 2.1966 2.1981 2.8453 2.8481 3.0087 3.0144
3.4046 3.4071 4.1087 4.1105 4.4104 4.4147 4.5242 4.5258
11.6042 11.6167 11.6842 11.6855 12.1455 12.1461 12.6227 12.6308
13.1134 13.1146
k =-0.3454 0.5592 0.2938 ( 4472 PWs) bands (ev):
-13.8251 -13.8250 -13.6782 -13.6782 -11.0279 -11.0278 -9.7644 -9.7633
-9.5121 -9.5091 -8.9479 -8.9427 -3.2491 -3.2486 -2.3859 -2.3831
-2.1570 -2.1566 -1.4549 -1.4543 -0.7880 -0.7858 -0.3207 -0.3108
0.7481 0.7503 0.7903 0.7968 1.2359 1.2371 1.6827 1.6864
2.1546 2.1575 2.1885 2.1914 2.8569 2.8592 3.0196 3.0242
3.4287 3.4313 4.1084 4.1101 4.3892 4.3934 4.5049 4.5064
11.6224 11.6345 11.6418 11.6438 12.1526 12.1533 12.6384 12.6472
13.0734 13.0749
k =-0.3454 0.5592 0.3101 ( 4476 PWs) bands (ev):
-13.8204 -13.8203 -13.6818 -13.6817 -10.9944 -10.9941 -9.7447 -9.7437
-9.5682 -9.5654 -8.9745 -8.9695 -3.2004 -3.1998 -2.3911 -2.3885
-2.1769 -2.1765 -1.5106 -1.5102 -0.7289 -0.7270 -0.2470 -0.2373
0.7449 0.7464 0.8116 0.8180 1.1872 1.1888 1.6883 1.6923
2.1108 2.1148 2.1928 2.1959 2.8664 2.8683 3.0309 3.0346
3.4540 3.4566 4.1088 4.1105 4.3666 4.3707 4.4852 4.4865
11.6041 11.6057 11.6451 11.6578 12.1626 12.1633 12.6516 12.6612
13.0249 13.0270
k =-0.3454 0.5592 0.3265 ( 4472 PWs) bands (ev):
-13.8156 -13.8155 -13.6854 -13.6854 -10.9591 -10.9589 -9.7241 -9.7232
-9.6251 -9.6224 -9.0018 -8.9971 -3.1517 -3.1511 -2.3932 -2.3909
-2.1979 -2.1976 -1.5658 -1.5655 -0.6671 -0.6657 -0.1754 -0.1658
0.7396 0.7405 0.8321 0.8383 1.1397 1.1413 1.6969 1.7011
2.0646 2.0696 2.1954 2.1988 2.8744 2.8760 3.0418 3.0446
3.4807 3.4833 4.1100 4.1116 4.3425 4.3464 4.4650 4.4661
11.5721 11.5740 11.6718 11.6845 12.1750 12.1758 12.6614 12.6717
12.9674 12.9701
k =-0.3454 0.5592 0.3428 ( 4468 PWs) bands (ev):
-13.8106 -13.8105 -13.6893 -13.6893 -10.9223 -10.9220 -9.7026 -9.7019
-9.6826 -9.6801 -9.0297 -9.0253 -3.1033 -3.1026 -2.3923 -2.3902
-2.2202 -2.2199 -1.6202 -1.6200 -0.6029 -0.6019 -0.1060 -0.0966
0.7322 0.7325 0.8497 0.8551 1.0957 1.0968 1.7084 1.7128
2.0164 2.0222 2.1960 2.1997 2.8817 2.8830 3.0514 3.0533
3.5088 3.5113 4.1120 4.1137 4.3170 4.3208 4.4445 4.4454
11.5463 11.5485 11.7026 11.7153 12.1889 12.1897 12.6666 12.6776
12.9013 12.9047
k =-0.3454 0.5592 0.3591 ( 4468 PWs) bands (ev):
-13.8055 -13.8054 -13.6933 -13.6933 -10.8839 -10.8835 -9.7407 -9.7383
-9.6801 -9.6796 -9.0583 -9.0541 -3.0552 -3.0545 -2.3885 -2.3866
-2.2437 -2.2434 -1.6738 -1.6736 -0.5365 -0.5359 -0.0392 -0.0300
0.7227 0.7229 0.8595 0.8632 1.0603 1.0608 1.7228 1.7275
1.9662 1.9730 2.1945 2.1984 2.8886 2.8898 3.0592 3.0603
3.5383 3.5409 4.1150 4.1166 4.2901 4.2938 4.4238 4.4246
11.5273 11.5297 11.7372 11.7499 12.2034 12.2043 12.6662 12.6777
12.8287 12.8328
k =-0.3454 0.5592 0.3754 ( 4472 PWs) bands (ev):
-13.8003 -13.8002 -13.6975 -13.6975 -10.8439 -10.8435 -9.7990 -9.7968
-9.6569 -9.6565 -9.0874 -9.0834 -3.0077 -3.0070 -2.3818 -2.3800
-2.2683 -2.2681 -1.7262 -1.7262 -0.4681 -0.4680 0.0247 0.0338
0.7109 0.7117 0.8532 0.8539 1.0401 1.0435 1.7401 1.7450
1.9145 1.9221 2.1907 2.1948 2.8957 2.8968 3.0646 3.0650
3.5693 3.5718 4.1190 4.1206 4.2618 4.2654 4.4031 4.4037
11.5154 11.5181 11.7754 11.7880 12.2168 12.2177 12.6592 12.6711
12.7535 12.7580
k =-0.3454 0.5592 0.3918 ( 4471 PWs) bands (ev):
-13.7951 -13.7950 -13.7018 -13.7018 -10.8024 -10.8019 -9.8575 -9.8553
-9.6328 -9.6326 -9.1168 -9.1132 -2.9609 -2.9601 -2.3721 -2.3706
-2.2942 -2.2941 -1.7775 -1.7774 -0.3983 -0.3979 0.0857 0.0945
0.6973 0.6986 0.8235 0.8255 1.0415 1.0476 1.7601 1.7652
1.8615 1.8698 2.1843 2.1887 2.9031 2.9042 3.0673 3.0675
3.6016 3.6040 4.1240 4.1255 4.2323 4.2358 4.3825 4.3829
11.5108 11.5138 11.8167 11.8294 12.2265 12.2272 12.6452 12.6573
12.6808 12.6855
k =-0.3454 0.5592 0.4081 ( 4466 PWs) bands (ev):
-13.7897 -13.7896 -13.7063 -13.7062 -10.7594 -10.7589 -9.9159 -9.9139
-9.6080 -9.6079 -9.1467 -9.1432 -2.9148 -2.9141 -2.3597 -2.3584
-2.3212 -2.3212 -1.8274 -1.8273 -0.3271 -0.3263 0.1435 0.1520
0.6819 0.6838 0.7778 0.7815 1.0595 1.0674 1.7827 1.7878
1.8076 1.8165 2.1753 2.1799 2.9112 2.9124 3.0672 3.0679
3.6350 3.6374 4.1300 4.1315 4.2017 4.2050 4.3621 4.3623
11.5138 11.5169 11.8610 11.8736 12.2277 12.2280 12.6169 12.6217
12.6243 12.6364
k =-0.3454 0.5592 0.4244 ( 4464 PWs) bands (ev):
-13.7843 -13.7842 -13.7109 -13.7108 -10.7150 -10.7144 -9.9742 -9.9723
-9.5825 -9.5824 -9.1767 -9.1736 -2.8696 -2.8689 -2.3504 -2.3503
-2.3436 -2.3425 -1.8758 -1.8758 -0.2548 -0.2535 0.1980 0.2062
0.6648 0.6671 0.7237 0.7282 1.0871 1.0959 1.7528 1.7624
1.8076 1.8129 2.1636 2.1684 2.9200 2.9213 3.0647 3.0658
3.6695 3.6718 4.1371 4.1385 4.1699 4.1731 4.3420 4.3420
11.5243 11.5277 11.9078 11.9204 12.2137 12.2141 12.5706 12.5748
12.5962 12.6083
k =-0.3454 0.5592 0.4407 ( 4458 PWs) bands (ev):
-13.7789 -13.7788 -13.7156 -13.7156 -10.6692 -10.6685 -10.0322 -10.0304
-9.5564 -9.5561 -9.2070 -9.2040 -2.8253 -2.8246 -2.3793 -2.3793
-2.3263 -2.3252 -1.9227 -1.9226 -0.1816 -0.1798 0.2493 0.2572
0.6458 0.6485 0.6647 0.6696 1.1203 1.1297 1.6979 1.7080
1.8344 1.8397 2.1492 2.1541 2.9296 2.9310 3.0599 3.0614
3.7047 3.7071 4.1368 4.1401 4.1454 4.1469 4.3222 4.3223
11.5423 11.5459 11.9569 11.9694 12.1793 12.1807 12.5472 12.5509
12.5627 12.5742
k =-0.3454 0.5592 0.4571 ( 4462 PWs) bands (ev):
-13.7734 -13.7734 -13.7205 -13.7204 -10.6220 -10.6212 -10.0898 -10.0881
-9.5296 -9.5291 -9.2373 -9.2346 -2.7820 -2.7813 -2.4100 -2.4099
-2.3056 -2.3048 -1.9678 -1.9677 -0.1078 -0.1055 0.2973 0.3048
0.6020 0.6073 0.6251 0.6285 1.1573 1.1672 1.6431 1.6536
1.8627 1.8681 2.1320 2.1372 2.9399 2.9415 3.0532 3.0549
3.7407 3.7431 4.1033 4.1063 4.1546 4.1560 4.3028 4.3031
11.5678 11.5716 12.0078 12.0203 12.1269 12.1293 12.5220 12.5346
12.5476 12.5492
k =-0.3454 0.5592 0.4734 ( 4458 PWs) bands (ev):
-13.7680 -13.7679 -13.7255 -13.7254 -10.5736 -10.5727 -10.1468 -10.1452
-9.5022 -9.5016 -9.2676 -9.2652 -2.7397 -2.7391 -2.4419 -2.4418
-2.2824 -2.2817 -2.0111 -2.0111 -0.0338 -0.0309 0.3421 0.3492
0.5372 0.5425 0.6026 0.6063 1.1973 1.2076 1.5886 1.5994
1.8921 1.8976 2.1123 2.1176 2.9510 2.9528 3.0447 3.0467
3.7772 3.7795 4.0688 4.0717 4.1650 4.1663 4.2841 4.2845
11.6006 11.6045 12.0568 12.0665 12.0669 12.0727 12.4787 12.4909
12.5622 12.5634
k =-0.3454 0.5592 0.4897 ( 4456 PWs) bands (ev):
-13.7625 -13.7624 -13.7305 -13.7305 -10.5239 -10.5229 -10.2033 -10.2018
-9.4743 -9.4734 -9.2979 -9.2957 -2.6985 -2.6980 -2.4751 -2.4749
-2.2566 -2.2560 -2.0525 -2.0525 0.0403 0.0437 0.3838 0.3905
0.4703 0.4755 0.5781 0.5823 1.2399 1.2505 1.5348 1.5458
1.9222 1.9277 2.0901 2.0955 2.9627 2.9646 3.0348 3.0369
3.8139 3.8163 4.0335 4.0363 4.1764 4.1776 4.2661 4.2667
11.6404 11.6444 11.9951 11.9990 12.1141 12.1261 12.4315 12.4436
12.5872 12.5880
k =-0.3454 0.5592 0.5060 ( 4454 PWs) bands (ev):
-13.7570 -13.7570 -13.7357 -13.7356 -10.4730 -10.4720 -10.2590 -10.2576
-9.4458 -9.4447 -9.3280 -9.3261 -2.6584 -2.6579 -2.5094 -2.5091
-2.2283 -2.2279 -2.0920 -2.0919 0.1142 0.1180 0.4014 0.4065
0.4228 0.4291 0.5516 0.5562 1.2846 1.2955 1.4819 1.4931
1.9524 1.9580 2.0657 2.0712 2.9749 2.9769 3.0239 3.0260
3.8509 3.8533 3.9977 4.0004 4.1889 4.1900 4.2489 4.2496
11.6867 11.6909 11.9266 11.9307 12.1682 12.1802 12.3817 12.3937
12.6185 12.6191
k =-0.3454 0.5592 0.5224 ( 4460 PWs) bands (ev):
-13.7516 -13.7516 -13.7409 -13.7409 -10.4210 -10.4199 -10.3139 -10.3126
-9.4169 -9.4156 -9.3579 -9.3562 -2.6194 -2.6190 -2.5449 -2.5446
-2.1976 -2.1973 -2.1294 -2.1293 0.1874 0.1917 0.3314 0.3362
0.4586 0.4646 0.5229 0.5280 1.3314 1.3424 1.4302 1.4414
1.9823 1.9879 2.0394 2.0449 2.9874 2.9895 3.0121 3.0143
3.8879 3.8904 3.9614 3.9640 4.2025 4.2035 4.2325 4.2333
11.7393 11.7435 11.8602 11.8644 12.2225 12.2345 12.3298 12.3417
12.6541 12.6545
k =-0.3454 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7463 -13.7463 -13.7462 -13.7462 -10.3679 -10.3679 -10.3667 -10.3667
-9.3876 -9.3876 -9.3861 -9.3861 -2.5816 -2.5816 -2.5812 -2.5812
-2.1647 -2.1647 -2.1644 -2.1644 0.2599 0.2599 0.2645 0.2645
0.4920 0.4920 0.4975 0.4975 1.3800 1.3800 1.3912 1.3912
2.0115 2.0115 2.0170 2.0170 2.9998 2.9998 3.0020 3.0020
3.9248 3.9248 3.9273 3.9273 4.2170 4.2170 4.2179 4.2179
11.7974 11.7974 11.8016 11.8016 12.2765 12.2765 12.2885 12.2885
12.6927 12.6927
k =-0.3454 0.5592 0.5387 ( 4452 PWs) bands (ev):
-13.7463 -13.7463 -13.7462 -13.7462 -10.3679 -10.3679 -10.3667 -10.3667
-9.3876 -9.3876 -9.3861 -9.3861 -2.5816 -2.5816 -2.5812 -2.5812
-2.1647 -2.1647 -2.1644 -2.1644 0.2599 0.2599 0.2645 0.2645
0.4920 0.4920 0.4975 0.4975 1.3800 1.3800 1.3912 1.3912
2.0115 2.0115 2.0170 2.0170 2.9998 2.9998 3.0020 3.0020
3.9248 3.9248 3.9273 3.9273 4.2170 4.2170 4.2179 4.2179
11.7974 11.7974 11.8016 11.8016 12.2765 12.2765 12.2885 12.2885
12.6927 12.6928
k =-0.3540 0.5453 0.5387 ( 4458 PWs) bands (ev):
-13.7440 -13.7440 -13.7440 -13.7440 -10.3956 -10.3956 -10.3944 -10.3944
-9.3561 -9.3561 -9.3546 -9.3546 -2.5482 -2.5482 -2.5477 -2.5477
-2.2340 -2.2340 -2.2337 -2.2337 0.2791 0.2791 0.2836 0.2836
0.4985 0.4985 0.5037 0.5037 1.3909 1.3909 1.4018 1.4018
2.0194 2.0194 2.0247 2.0247 2.9959 2.9959 2.9978 2.9978
3.8965 3.8965 3.8991 3.8991 4.2479 4.2479 4.2489 4.2489
11.7466 11.7466 11.7507 11.7507 12.2672 12.2672 12.2786 12.2786
12.7224 12.7225
k =-0.3625 0.5314 0.5387 ( 4464 PWs) bands (ev):
-13.7419 -13.7419 -13.7418 -13.7418 -10.4218 -10.4218 -10.4207 -10.4207
-9.3253 -9.3253 -9.3239 -9.3239 -2.5166 -2.5166 -2.5162 -2.5162
-2.3011 -2.3011 -2.3007 -2.3007 0.2961 0.2961 0.3006 0.3006
0.5049 0.5049 0.5098 0.5098 1.4027 1.4027 1.4134 1.4134
2.0279 2.0279 2.0330 2.0330 2.9916 2.9916 2.9934 2.9934
3.8696 3.8696 3.8722 3.8722 4.2793 4.2793 4.2802 4.2802
11.6960 11.6960 11.6999 11.6999 12.2564 12.2564 12.2673 12.2673
12.7528 12.7528
k =-0.3711 0.5175 0.5387 ( 4462 PWs) bands (ev):
-13.7399 -13.7399 -13.7398 -13.7398 -10.4466 -10.4466 -10.4456 -10.4456
-9.2954 -9.2954 -9.2940 -9.2940 -2.4869 -2.4869 -2.4865 -2.4865
-2.3658 -2.3658 -2.3654 -2.3654 0.3112 0.3112 0.3156 0.3156
0.5112 0.5112 0.5158 0.5158 1.4152 1.4152 1.4255 1.4255
2.0368 2.0368 2.0416 2.0416 2.9870 2.9870 2.9886 2.9886
3.8443 3.8443 3.8468 3.8468 4.3107 4.3107 4.3116 4.3116
11.6463 11.6463 11.6500 11.6500 12.2448 12.2448 12.2552 12.2552
12.7829 12.7829
k =-0.3797 0.5035 0.5387 ( 4474 PWs) bands (ev):
-13.7380 -13.7380 -13.7379 -13.7379 -10.4699 -10.4699 -10.4690 -10.4690
-9.2665 -9.2665 -9.2651 -9.2651 -2.4592 -2.4592 -2.4589 -2.4589
-2.4277 -2.4277 -2.4273 -2.4273 0.3244 0.3244 0.3287 0.3287
0.5174 0.5174 0.5216 0.5216 1.4282 1.4282 1.4381 1.4381
2.0459 2.0459 2.0505 2.0505 2.9822 2.9822 2.9837 2.9837
3.8204 3.8204 3.8229 3.8229 4.3420 4.3420 4.3429 4.3429
11.5980 11.5980 11.6015 11.6015 12.2331 12.2331 12.2429 12.2429
12.8124 12.8124
k =-0.3883 0.4896 0.5387 ( 4470 PWs) bands (ev):
-13.7362 -13.7362 -13.7361 -13.7361 -10.4918 -10.4918 -10.4909 -10.4909
-9.2387 -9.2387 -9.2374 -9.2374 -2.4870 -2.4870 -2.4865 -2.4865
-2.4331 -2.4331 -2.4327 -2.4327 0.3359 0.3359 0.3400 0.3400
0.5233 0.5233 0.5273 0.5273 1.4414 1.4414 1.4509 1.4509
2.0551 2.0551 2.0594 2.0594 2.9772 2.9772 2.9785 2.9785
3.7982 3.7982 3.8006 3.8006 4.3730 4.3730 4.3738 4.3738
11.5516 11.5516 11.5549 11.5549 12.2216 12.2216 12.2308 12.2308
12.8408 12.8408
k =-0.3969 0.4757 0.5387 ( 4466 PWs) bands (ev):
-13.7345 -13.7345 -13.7345 -13.7345 -10.5121 -10.5121 -10.5112 -10.5112
-9.2122 -9.2122 -9.2110 -9.2110 -2.5428 -2.5428 -2.5423 -2.5423
-2.4092 -2.4092 -2.4088 -2.4088 0.3459 0.3459 0.3498 0.3498
0.5291 0.5291 0.5327 0.5327 1.4547 1.4547 1.4636 1.4636
2.0643 2.0643 2.0684 2.0684 2.9721 2.9721 2.9733 2.9733
3.7775 3.7775 3.7799 3.7799 4.4033 4.4033 4.4041 4.4041
11.5075 11.5075 11.5106 11.5106 12.2109 12.2109 12.2195 12.2195
12.8677 12.8677
k =-0.4055 0.4618 0.5387 ( 4470 PWs) bands (ev):
-13.7330 -13.7330 -13.7330 -13.7330 -10.5308 -10.5308 -10.5301 -10.5301
-9.1871 -9.1871 -9.1860 -9.1860 -2.5951 -2.5951 -2.5946 -2.5946
-2.3872 -2.3872 -2.3868 -2.3868 0.3545 0.3545 0.3582 0.3582
0.5345 0.5345 0.5379 0.5379 1.4677 1.4677 1.4760 1.4760
2.0734 2.0734 2.0772 2.0772 2.9669 2.9669 2.9680 2.9680
3.7585 3.7585 3.7608 3.7608 4.4326 4.4326 4.4334 4.4334
11.4661 11.4661 11.4689 11.4689 12.2012 12.2012 12.2091 12.2091
12.8929 12.8930
k =-0.4141 0.4479 0.5387 ( 4474 PWs) bands (ev):
-13.7316 -13.7316 -13.7316 -13.7316 -10.5480 -10.5480 -10.5473 -10.5473
-9.1636 -9.1636 -9.1626 -9.1626 -2.6438 -2.6438 -2.6433 -2.6433
-2.3671 -2.3671 -2.3667 -2.3667 0.3619 0.3619 0.3652 0.3652
0.5397 0.5397 0.5427 0.5427 1.4803 1.4803 1.4880 1.4880
2.0822 2.0822 2.0856 2.0856 2.9618 2.9618 2.9628 2.9628
3.7412 3.7412 3.7433 3.7433 4.4607 4.4607 4.4614 4.4614
11.4275 11.4275 11.4301 11.4301 12.1928 12.1928 12.2001 12.2001
12.9163 12.9164
k =-0.4227 0.4340 0.5387 ( 4478 PWs) bands (ev):
-13.7303 -13.7303 -13.7303 -13.7303 -10.5636 -10.5636 -10.5630 -10.5630
-9.1419 -9.1419 -9.1409 -9.1409 -2.6885 -2.6885 -2.6880 -2.6880
-2.3489 -2.3489 -2.3485 -2.3485 0.3681 0.3681 0.3712 0.3712
0.5445 0.5445 0.5472 0.5472 1.4923 1.4923 1.4993 1.4993
2.0905 2.0905 2.0937 2.0937 2.9569 2.9569 2.9578 2.9578
3.7255 3.7255 3.7275 3.7275 4.4873 4.4873 4.4879 4.4879
11.3920 11.3920 11.3944 11.3944 12.1858 12.1858 12.1924 12.1924
12.9377 12.9377
k =-0.4313 0.4201 0.5387 ( 4478 PWs) bands (ev):
-13.7292 -13.7292 -13.7292 -13.7292 -10.5776 -10.5776 -10.5771 -10.5771
-9.1220 -9.1220 -9.1212 -9.1212 -2.7292 -2.7292 -2.7287 -2.7287
-2.3326 -2.3326 -2.3323 -2.3323 0.3734 0.3734 0.3761 0.3761
0.5490 0.5490 0.5514 0.5514 1.5034 1.5034 1.5098 1.5098
2.0984 2.0984 2.1013 2.1013 2.9521 2.9521 2.9529 2.9529
3.7116 3.7116 3.7133 3.7133 4.5119 4.5119 4.5125 4.5125
11.3599 11.3599 11.3620 11.3620 12.1803 12.1803 12.1863 12.1863
12.9570 12.9571
k =-0.4399 0.4062 0.5387 ( 4482 PWs) bands (ev):
-13.7282 -13.7282 -13.7281 -13.7281 -10.5900 -10.5900 -10.5895 -10.5895
-9.1041 -9.1041 -9.1034 -9.1034 -2.7655 -2.7655 -2.7651 -2.7651
-2.3182 -2.3182 -2.3179 -2.3179 0.3778 0.3778 0.3802 0.3802
0.5530 0.5530 0.5551 0.5551 1.5137 1.5137 1.5193 1.5193
2.1056 2.1056 2.1082 2.1082 2.9477 2.9477 2.9484 2.9484
3.6993 3.6993 3.7009 3.7009 4.5345 4.5345 4.5350 4.5350
11.3311 11.3311 11.3330 11.3330 12.1762 12.1762 12.1815 12.1815
12.9740 12.9741
k =-0.4485 0.3923 0.5387 ( 4478 PWs) bands (ev):
-13.7273 -13.7273 -13.7273 -13.7273 -10.6008 -10.6008 -10.6003 -10.6003
-9.0883 -9.0883 -9.0877 -9.0877 -2.7974 -2.7974 -2.7970 -2.7970
-2.3058 -2.3058 -2.3055 -2.3055 0.3814 0.3814 0.3835 0.3835
0.5566 0.5566 0.5584 0.5584 1.5229 1.5229 1.5277 1.5277
2.1122 2.1122 2.1144 2.1144 2.9436 2.9436 2.9442 2.9442
3.6886 3.6886 3.6900 3.6900 4.5547 4.5547 4.5551 4.5551
11.3060 11.3060 11.3076 11.3076 12.1735 12.1735 12.1781 12.1781
12.9889 12.9890
k =-0.4570 0.3784 0.5387 ( 4486 PWs) bands (ev):
-13.7266 -13.7266 -13.7265 -13.7265 -10.6099 -10.6099 -10.6095 -10.6095
-9.0748 -9.0748 -9.0742 -9.0742 -2.8246 -2.8246 -2.8243 -2.8243
-2.2952 -2.2952 -2.2950 -2.2950 0.3843 0.3843 0.3861 0.3861
0.5597 0.5597 0.5612 0.5612 1.5309 1.5309 1.5349 1.5349
2.1179 2.1179 2.1197 2.1197 2.9400 2.9400 2.9405 2.9405
3.6797 3.6797 3.6809 3.6809 4.5722 4.5722 4.5726 4.5726
11.2845 11.2845 11.2859 11.2859 12.1719 12.1719 12.1758 12.1758
13.0015 13.0016
k =-0.4656 0.3645 0.5387 ( 4482 PWs) bands (ev):
-13.7259 -13.7259 -13.7259 -13.7259 -10.6173 -10.6173 -10.6170 -10.6170
-9.0635 -9.0635 -9.0631 -9.0631 -2.8470 -2.8470 -2.8468 -2.8468
-2.2866 -2.2866 -2.2865 -2.2865 0.3867 0.3867 0.3881 0.3881
0.5623 0.5623 0.5635 0.5635 1.5376 1.5376 1.5409 1.5409
2.1227 2.1227 2.1242 2.1242 2.9370 2.9370 2.9374 2.9374
3.6724 3.6724 3.6734 3.6734 4.5869 4.5869 4.5872 4.5872
11.2669 11.2669 11.2679 11.2679 12.1712 12.1712 12.1744 12.1744
13.0118 13.0118
k =-0.4742 0.3505 0.5387 ( 4472 PWs) bands (ev):
-13.7255 -13.7255 -13.7254 -13.7254 -10.6231 -10.6231 -10.6229 -10.6229
-9.0547 -9.0547 -9.0543 -9.0543 -2.8646 -2.8646 -2.8644 -2.8644
-2.2799 -2.2799 -2.2798 -2.2798 0.3885 0.3885 0.3896 0.3896
0.5644 0.5644 0.5653 0.5653 1.5430 1.5430 1.5455 1.5455
2.1265 2.1265 2.1277 2.1277 2.9346 2.9346 2.9349 2.9349
3.6668 3.6668 3.6675 3.6675 4.5985 4.5985 4.5987 4.5987
11.2531 11.2531 11.2539 11.2539 12.1711 12.1711 12.1735 12.1735
13.0198 13.0198
k =-0.4828 0.3366 0.5387 ( 4472 PWs) bands (ev):
-13.7251 -13.7251 -13.7251 -13.7251 -10.6273 -10.6273 -10.6271 -10.6271
-9.0483 -9.0483 -9.0481 -9.0481 -2.8772 -2.8772 -2.8771 -2.8771
-2.2751 -2.2751 -2.2750 -2.2750 0.3898 0.3898 0.3905 0.3905
0.5659 0.5659 0.5665 0.5665 1.5470 1.5470 1.5487 1.5487
2.1294 2.1294 2.1302 2.1302 2.9329 2.9329 2.9331 2.9331
3.6628 3.6628 3.6633 3.6633 4.6069 4.6069 4.6071 4.6071
11.2433 11.2433 11.2438 11.2438 12.1715 12.1715 12.1731 12.1731
13.0255 13.0255
k =-0.4914 0.3227 0.5387 ( 4476 PWs) bands (ev):
-13.7249 -13.7249 -13.7249 -13.7249 -10.6297 -10.6297 -10.6297 -10.6297
-9.0444 -9.0444 -9.0443 -9.0443 -2.8848 -2.8848 -2.8847 -2.8847
-2.2722 -2.2722 -2.2722 -2.2722 0.3907 0.3907 0.3910 0.3910
0.5669 0.5669 0.5672 0.5672 1.5496 1.5496 1.5505 1.5505
2.1312 2.1312 2.1316 2.1316 2.9318 2.9318 2.9319 2.9319
3.6605 3.6605 3.6607 3.6607 4.6120 4.6120 4.6121 4.6121
11.2374 11.2374 11.2377 11.2377 12.1719 12.1719 12.1727 12.1727
13.0290 13.0290
k =-0.5000 0.3088 0.5387 ( 4476 PWs) bands (ev):
-13.7248 -13.7248 -13.7248 -13.7248 -10.6305 -10.6305 -10.6305 -10.6305
-9.0431 -9.0431 -9.0431 -9.0431 -2.8873 -2.8873 -2.8873 -2.8873
-2.2713 -2.2713 -2.2713 -2.2713 0.3911 0.3911 0.3911 0.3911
0.5673 0.5673 0.5673 0.5673 1.5508 1.5508 1.5508 1.5508
2.1319 2.1319 2.1319 2.1319 2.9315 2.9315 2.9315 2.9315
3.6598 3.6598 3.6598 3.6598 4.6137 4.6137 4.6137 4.6137
11.2355 11.2355 11.2355 11.2355 12.1724 12.1724 12.1724 12.1724
13.0301 13.0301
k =-0.5000 0.3088 0.5387 ( 4476 PWs) bands (ev):
-13.7248 -13.7248 -13.7248 -13.7248 -10.6305 -10.6305 -10.6305 -10.6305
-9.0431 -9.0431 -9.0431 -9.0431 -2.8873 -2.8873 -2.8873 -2.8873
-2.2713 -2.2713 -2.2713 -2.2713 0.3911 0.3911 0.3911 0.3911
0.5673 0.5673 0.5673 0.5673 1.5508 1.5508 1.5508 1.5508
2.1319 2.1319 2.1319 2.1319 2.9315 2.9315 2.9315 2.9315
3.6598 3.6598 3.6598 3.6598 4.6137 4.6137 4.6137 4.6137
11.2355 11.2355 11.2355 11.2355 12.1724 12.1724 12.1724 12.1724
13.0301 13.0301
k =-0.5000 0.3088 0.5224 ( 4480 PWs) bands (ev):
-13.7294 -13.7294 -13.7203 -13.7203 -10.6860 -10.6860 -10.5740 -10.5740
-9.0484 -9.0484 -9.0380 -9.0380 -2.8915 -2.8915 -2.8800 -2.8800
-2.3092 -2.3092 -2.2356 -2.2356 0.2979 0.2979 0.4842 0.4842
0.5608 0.5608 0.5720 0.5720 1.5250 1.5250 1.5788 1.5788
2.1280 2.1280 2.1344 2.1344 2.9277 2.9277 2.9323 2.9323
3.6233 3.6233 3.6964 3.6964 4.6136 4.6136 4.6147 4.6147
11.2372 11.2372 11.2424 11.2424 12.1684 12.1684 12.1732 12.1732
12.9865 12.9865
k =-0.5000 0.3088 0.5060 ( 4480 PWs) bands (ev):
-13.7340 -13.7340 -13.7158 -13.7158 -10.7404 -10.7404 -10.5164 -10.5164
-9.0538 -9.0538 -9.0331 -9.0331 -2.8927 -2.8927 -2.8697 -2.8697
-2.3495 -2.3495 -2.2021 -2.2021 0.2056 0.2056 0.5522 0.5522
0.5745 0.5745 0.5768 0.5768 1.5022 1.5022 1.6086 1.6086
2.1227 2.1227 2.1354 2.1354 2.9205 2.9205 2.9305 2.9305
3.5875 3.5875 3.7331 3.7331 4.6144 4.6144 4.6165 4.6165
11.2476 11.2476 11.2577 11.2577 12.1611 12.1611 12.1713 12.1713
12.9417 12.9417
k =-0.5000 0.3088 0.4897 ( 4472 PWs) bands (ev):
-13.7386 -13.7386 -13.7114 -13.7114 -10.7935 -10.7935 -10.4579 -10.4579
-9.0595 -9.0595 -9.0285 -9.0285 -2.8909 -2.8909 -2.8564 -2.8564
-2.3922 -2.3922 -2.1707 -2.1707 0.1149 0.1149 0.5417 0.5417
0.5758 0.5758 0.6662 0.6662 1.4835 1.4835 1.6396 1.6396
2.1162 2.1162 2.1349 2.1349 2.9097 2.9097 2.9264 2.9264
3.5526 3.5526 3.7695 3.7695 4.6161 4.6161 4.6190 4.6190
11.2667 11.2667 11.2812 11.2812 12.1503 12.1503 12.1670 12.1670
12.8961 12.8961
k =-0.5000 0.3088 0.4734 ( 4476 PWs) bands (ev):
-13.7433 -13.7433 -13.7071 -13.7071 -10.8453 -10.8453 -10.3986 -10.3986
-9.0653 -9.0653 -9.0240 -9.0240 -2.8859 -2.8859 -2.8401 -2.8401
-2.4375 -2.4375 -2.1412 -2.1412 0.0262 0.0262 0.5289 0.5289
0.5750 0.5750 0.7517 0.7517 1.4705 1.4705 1.6716 1.6716
2.1085 2.1085 2.1329 2.1329 2.8950 2.8950 2.9206 2.9206
3.5188 3.5188 3.8053 3.8053 4.6188 4.6188 4.6222 4.6222
11.2945 11.2945 11.3125 11.3125 12.1360 12.1360 12.1608 12.1608
12.8500 12.8500
k =-0.5000 0.3088 0.4571 ( 4480 PWs) bands (ev):
-13.7479 -13.7479 -13.7028 -13.7028 -10.8958 -10.8958 -10.3385 -10.3385
-9.0712 -9.0712 -9.0199 -9.0199 -2.8780 -2.8780 -2.8210 -2.8210
-2.4852 -2.4852 -2.1136 -2.1136 -0.0599 -0.0599 0.5138 0.5138
0.5725 0.5725 0.8301 0.8301 1.4657 1.4657 1.7044 1.7044
2.0996 2.0996 2.1294 2.1294 2.8765 2.8765 2.9135 2.9135
3.4864 3.4864 3.8405 3.8405 4.6225 4.6225 4.6260 4.6260
11.3309 11.3309 11.3511 11.3511 12.1182 12.1182 12.1529 12.1529
12.8041 12.8041
k =-0.5000 0.3088 0.4407 ( 4476 PWs) bands (ev):
-13.7525 -13.7525 -13.6986 -13.6986 -10.9449 -10.9449 -10.2778 -10.2778
-9.0772 -9.0772 -9.0159 -9.0159 -2.8670 -2.8670 -2.7990 -2.7990
-2.5355 -2.5355 -2.0877 -2.0877 -0.1432 -0.1432 0.4962 0.4962
0.5680 0.5680 0.8981 0.8981 1.4720 1.4720 1.7377 1.7377
2.0898 2.0898 2.1244 2.1244 2.8541 2.8541 2.9054 2.9054
3.4554 3.4554 3.8747 3.8747 4.6273 4.6273 4.6305 4.6305
11.3756 11.3756 11.3966 11.3966 12.0972 12.0972 12.1438 12.1438
12.7588 12.7588
k =-0.5000 0.3088 0.4244 ( 4480 PWs) bands (ev):
-13.7571 -13.7571 -13.6946 -13.6946 -10.9926 -10.9926 -10.2166 -10.2166
-9.0833 -9.0833 -9.0122 -9.0122 -2.8530 -2.8530 -2.7742 -2.7742
-2.5883 -2.5883 -2.0635 -2.0635 -0.2233 -0.2233 0.4760 0.4760
0.5617 0.5617 0.9519 0.9519 1.4929 1.4929 1.7714 1.7714
2.0791 2.0791 2.1181 2.1181 2.8282 2.8282 2.8967 2.8967
3.4261 3.4261 3.9078 3.9078 4.6331 4.6331 4.6355 4.6355
11.4285 11.4285 11.4482 11.4482 12.0733 12.0733 12.1338 12.1338
12.7147 12.7147
k =-0.5000 0.3088 0.4081 ( 4472 PWs) bands (ev):
-13.7616 -13.7616 -13.6906 -13.6906 -11.0388 -11.0388 -10.1550 -10.1550
-9.0894 -9.0894 -9.0088 -9.0088 -2.8361 -2.8361 -2.7467 -2.7467
-2.6435 -2.6435 -2.0409 -2.0409 -0.2999 -0.2999 0.4529 0.4529
0.5534 0.5534 0.9894 0.9894 1.5303 1.5303 1.8053 1.8053
2.0676 2.0676 2.1106 2.1106 2.7990 2.7990 2.8877 2.8877
3.3984 3.3984 3.9398 3.9398 4.6400 4.6400 4.6411 4.6411
11.4892 11.4892 11.5051 11.5051 12.0469 12.0469 12.1233 12.1233
12.6725 12.6725
k =-0.5000 0.3088 0.3918 ( 4468 PWs) bands (ev):
-13.7661 -13.7661 -13.6867 -13.6867 -11.0834 -11.0834 -10.0931 -10.0931
-9.0956 -9.0956 -9.0055 -9.0055 -2.8163 -2.8163 -2.7167 -2.7167
-2.7009 -2.7009 -2.0198 -2.0198 -0.3728 -0.3728 0.4270 0.4270
0.5429 0.5429 1.0109 1.0109 1.5834 1.5834 1.8392 1.8392
2.0554 2.0554 2.1021 2.1021 2.7671 2.7671 2.8788 2.8788
3.3721 3.3721 3.9706 3.9706 4.6465 4.6465 4.6485 4.6485
11.5573 11.5573 11.5664 11.5664 12.0184 12.0184 12.1125 12.1125
12.6331 12.6331
k =-0.5000 0.3088 0.3754 ( 4464 PWs) bands (ev):
-13.7706 -13.7706 -13.6830 -13.6830 -11.1265 -11.1265 -10.0310 -10.0310
-9.1018 -9.1018 -9.0026 -9.0026 -2.7937 -2.7937 -2.7607 -2.7607
-2.6840 -2.6840 -2.0000 -2.0000 -0.4420 -0.4420 0.3980 0.3980
0.5303 0.5303 1.0194 1.0194 1.6489 1.6489 1.8730 1.8730
2.0427 2.0427 2.0929 2.0929 2.7330 2.7330 2.8701 2.8701
3.3472 3.3472 4.0000 4.0000 4.6528 4.6528 4.6577 4.6577
11.6299 11.6299 11.6331 11.6331 11.9884 11.9884 12.1019 12.1019
12.5976 12.5976
k =-0.5000 0.3088 0.3591 ( 4452 PWs) bands (ev):
-13.7749 -13.7749 -13.6794 -13.6794 -11.1680 -11.1680 -9.9691 -9.9691
-9.1080 -9.1080 -8.9998 -8.9998 -2.8223 -2.8223 -2.7682 -2.7682
-2.6490 -2.6490 -1.9816 -1.9816 -0.5073 -0.5073 0.3659 0.3659
0.5153 0.5153 1.0186 1.0186 1.7229 1.7229 1.9066 1.9066
2.0295 2.0295 2.0831 2.0831 2.6973 2.6973 2.8617 2.8617
3.3235 3.3235 4.0280 4.0280 4.6593 4.6593 4.6681 4.6681
11.6958 11.6958 11.7145 11.7145 11.9573 11.9573 12.0915 12.0915
12.5673 12.5673
k =-0.5000 0.3088 0.3428 ( 4446 PWs) bands (ev):
-13.7792 -13.7792 -13.6759 -13.6759 -11.2079 -11.2079 -9.9072 -9.9072
-9.1142 -9.1142 -8.9973 -8.9973 -2.8855 -2.8855 -2.7402 -2.7402
-2.6117 -2.6117 -1.9645 -1.9645 -0.5687 -0.5687 0.3306 0.3306
0.4979 0.4979 1.0117 1.0117 1.8018 1.8018 1.9398 1.9398
2.0160 2.0160 2.0732 2.0732 2.6606 2.6606 2.8539 2.8539
3.3008 3.3008 4.0546 4.0546 4.6661 4.6661 4.6797 4.6797
11.7603 11.7603 11.8022 11.8022 11.9256 11.9256 12.0817 12.0817
12.5442 12.5442
k =-0.5000 0.3088 0.3265 ( 4440 PWs) bands (ev):
-13.7833 -13.7833 -13.6726 -13.6726 -11.2460 -11.2460 -9.8458 -9.8458
-9.1203 -9.1203 -8.9951 -8.9951 -2.9501 -2.9501 -2.7096 -2.7096
-2.5722 -2.5722 -1.9485 -1.9485 -0.6261 -0.6261 0.2921 0.2921
0.4779 0.4779 1.0009 1.0009 1.8829 1.8829 1.9726 1.9726
2.0024 2.0024 2.0633 2.0633 2.6235 2.6235 2.8466 2.8466
3.2791 3.2791 4.0798 4.0798 4.6730 4.6730 4.6924 4.6924
11.8207 11.8207 11.8919 11.8919 11.8972 11.8972 12.0727 12.0727
12.5308 12.5308
k =-0.5000 0.3088 0.3101 ( 4450 PWs) bands (ev):
-13.7874 -13.7874 -13.6694 -13.6694 -11.2825 -11.2825 -9.7849 -9.7849
-9.1262 -9.1262 -8.9930 -8.9930 -3.0158 -3.0158 -2.6765 -2.6765
-2.5308 -2.5308 -1.9336 -1.9336 -0.6797 -0.6797 0.2505 0.2505
0.4553 0.4553 0.9877 0.9877 1.9642 1.9642 1.9883 1.9883
2.0056 2.0056 2.0537 2.0537 2.5865 2.5865 2.8398 2.8398
3.2582 3.2582 4.1035 4.1035 4.6800 4.6800 4.7062 4.7062
11.8601 11.8601 11.8753 11.8753 11.9937 11.9937 12.0646 12.0646
12.5301 12.5301
k =-0.5000 0.3088 0.2938 ( 4446 PWs) bands (ev):
-13.7913 -13.7913 -13.6663 -13.6663 -11.3173 -11.3173 -9.7248 -9.7248
-9.1321 -9.1321 -8.9911 -8.9911 -3.0820 -3.0820 -2.6411 -2.6411
-2.4876 -2.4876 -1.9198 -1.9198 -0.7295 -0.7295 0.2058 0.2058
0.4300 0.4300 0.9733 0.9733 1.9749 1.9749 2.0327 2.0327
2.0447 2.0447 2.0491 2.0491 2.5500 2.5500 2.8337 2.8337
3.2380 3.2380 4.1257 4.1257 4.6871 4.6871 4.7211 4.7211
11.8296 11.8296 11.9164 11.9164 12.0574 12.0574 12.0962 12.0962
12.5453 12.5453
k =-0.5000 0.3088 0.2775 ( 4460 PWs) bands (ev):
-13.7951 -13.7951 -13.6634 -13.6634 -11.3503 -11.3503 -9.6656 -9.6656
-9.1378 -9.1378 -8.9895 -8.9895 -3.1485 -3.1485 -2.6036 -2.6036
-2.4427 -2.4427 -1.9071 -1.9071 -0.7756 -0.7756 0.1583 0.1583
0.4020 0.4020 0.9582 0.9582 1.9617 1.9617 2.0360 2.0360
2.0658 2.0658 2.1260 2.1260 2.5145 2.5145 2.8280 2.8280
3.2186 3.2186 4.1465 4.1465 4.6942 4.6942 4.7369 4.7369
11.7988 11.7988 11.9452 11.9452 12.0518 12.0518 12.2017 12.2017
12.5780 12.5780
k =-0.5000 0.3088 0.2612 ( 4464 PWs) bands (ev):
-13.7987 -13.7987 -13.6607 -13.6607 -11.3815 -11.3815 -9.6076 -9.6076
-9.1434 -9.1434 -8.9880 -8.9880 -3.2147 -3.2147 -2.5641 -2.5641
-2.3965 -2.3965 -1.8953 -1.8953 -0.8182 -0.8182 0.1082 0.1082
0.3713 0.3713 0.9430 0.9430 1.9490 1.9490 2.0285 2.0285
2.0956 2.0956 2.2023 2.2023 2.4804 2.4804 2.8229 2.8229
3.1998 3.1998 4.1658 4.1658 4.7012 4.7012 4.7537 4.7537
11.7689 11.7689 11.9608 11.9608 12.0476 12.0476 12.3097 12.3097
12.6276 12.6276
k =-0.5000 0.3088 0.2449 ( 4472 PWs) bands (ev):
-13.8022 -13.8022 -13.6581 -13.6581 -11.4110 -11.4110 -9.5511 -9.5511
-9.1487 -9.1487 -8.9867 -8.9867 -3.2803 -3.2803 -2.5229 -2.5229
-2.3491 -2.3491 -1.8844 -1.8844 -0.8573 -0.8573 0.0558 0.0558
0.3381 0.3381 0.9279 0.9279 1.9369 1.9369 2.0219 2.0219
2.1242 2.1242 2.2758 2.2758 2.4478 2.4478 2.8182 2.8182
3.1818 3.1818 4.1837 4.1837 4.7082 4.7082 4.7711 4.7711
11.7401 11.7401 11.9652 11.9652 12.0450 12.0450 12.4190 12.4190
12.6912 12.6912
k =-0.5000 0.3088 0.2285 ( 4468 PWs) bands (ev):
-13.8055 -13.8055 -13.6556 -13.6556 -11.4386 -11.4386 -9.4963 -9.4963
-9.1538 -9.1538 -8.9855 -8.9855 -3.3447 -3.3447 -2.4801 -2.4801
-2.3008 -2.3008 -1.8744 -1.8744 -0.8931 -0.8931 0.0015 0.0015
0.3026 0.3026 0.9133 0.9133 1.9256 1.9256 2.0162 2.0162
2.1515 2.1515 2.3456 2.3456 2.4170 2.4170 2.8139 2.8139
3.1645 3.1645 4.2002 4.2002 4.7150 4.7150 4.7892 4.7892
11.7126 11.7126 11.9617 11.9617 12.0440 12.0440 12.5283 12.5283
12.7651 12.7651
k =-0.5000 0.3088 0.2122 ( 4466 PWs) bands (ev):
-13.8086 -13.8086 -13.6533 -13.6533 -11.4644 -11.4644 -9.4434 -9.4434
-9.1587 -9.1587 -8.9845 -8.9845 -3.4074 -3.4074 -2.4361 -2.4361
-2.2520 -2.2520 -1.8653 -1.8653 -0.9257 -0.9257 -0.0543 -0.0543
0.2650 0.2650 0.8993 0.8993 1.9152 1.9152 2.0115 2.0115
2.1774 2.1774 2.3878 2.3878 2.4119 2.4119 2.8100 2.8100
3.1480 3.1480 4.2153 4.2153 4.7215 4.7215 4.8077 4.8077
11.6865 11.6865 11.9530 11.9530 12.0448 12.0448 12.6357 12.6357
12.8411 12.8411
k =-0.5000 0.3088 0.1959 ( 4456 PWs) bands (ev):
-13.8116 -13.8116 -13.6512 -13.6512 -11.4883 -11.4883 -9.3928 -9.3928
-9.1633 -9.1633 -8.9836 -8.9836 -3.4681 -3.4681 -2.3911 -2.3911
-2.2030 -2.2030 -1.8569 -1.8569 -0.9554 -0.9554 -0.1111 -0.1111
0.2257 0.2257 0.8860 0.8860 1.9059 1.9059 2.0078 2.0078
2.2020 2.2020 2.3609 2.3609 2.4735 2.4735 2.8065 2.8065
3.1323 3.1323 4.2291 4.2291 4.7278 4.7278 4.8264 4.8264
11.6621 11.6621 11.9412 11.9412 12.0475 12.0475 12.7392 12.7392
12.8199 12.8199
k =-0.5000 0.3088 0.1796 ( 4454 PWs) bands (ev):
-13.8143 -13.8143 -13.6493 -13.6493 -11.5104 -11.5104 -9.3448 -9.3448
-9.1676 -9.1676 -8.9828 -8.9828 -3.5261 -3.5261 -2.3457 -2.3457
-2.1542 -2.1542 -1.8494 -1.8494 -0.9821 -0.9821 -0.1684 -0.1684
0.1852 0.1852 0.8735 0.8735 1.8976 1.8976 2.0050 2.0050
2.2250 2.2250 2.3360 2.3360 2.5308 2.5308 2.8032 2.8032
3.1176 3.1176 4.2416 4.2416 4.7338 4.7338 4.8450 4.8450
11.6394 11.6394 11.9279 11.9279 12.0521 12.0521 12.7981 12.7981
12.8358 12.8358
k =-0.5000 0.3088 0.1632 ( 4462 PWs) bands (ev):
-13.8168 -13.8168 -13.6475 -13.6475 -11.5306 -11.5306 -9.2995 -9.2995
-9.1716 -9.1716 -8.9822 -8.9822 -3.5810 -3.5810 -2.3001 -2.3001
-2.1061 -2.1061 -1.8426 -1.8426 -1.0061 -1.0061 -0.2256 -0.2256
0.1440 0.1440 0.8619 0.8619 1.8905 1.8905 2.0029 2.0029
2.2463 2.2463 2.3131 2.3131 2.5834 2.5834 2.8002 2.8002
3.1038 3.1038 4.2528 4.2528 4.7394 4.7394 4.8634 4.8634
11.6184 11.6184 11.9142 11.9142 12.0587 12.0587 12.7769 12.7769
12.9220 12.9220
k =-0.5000 0.3088 0.1469 ( 4462 PWs) bands (ev):
-13.8191 -13.8191 -13.6459 -13.6459 -11.5489 -11.5489 -9.2574 -9.2574
-9.1753 -9.1753 -8.9816 -8.9816 -3.6324 -3.6324 -2.2549 -2.2549
-2.0593 -2.0593 -1.8365 -1.8365 -1.0274 -1.0274 -0.2818 -0.2818
0.1027 0.1027 0.8513 0.8513 1.8844 1.8844 2.0016 2.0016
2.2659 2.2659 2.2923 2.2923 2.6312 2.6312 2.7974 2.7974
3.0911 3.0911 4.2628 4.2628 4.7447 4.7447 4.8813 4.8813
11.5992 11.5992 11.9008 11.9008 12.0671 12.0671 12.7564 12.7564
12.9201 12.9201
k =-0.5000 0.3088 0.1306 ( 4470 PWs) bands (ev):
-13.8212 -13.8212 -13.6444 -13.6444 -11.5654 -11.5654 -9.2188 -9.2188
-9.1786 -9.1786 -8.9812 -8.9812 -3.6798 -3.6798 -2.2108 -2.2108
-2.0142 -2.0142 -1.8311 -1.8311 -1.0463 -1.0463 -0.3363 -0.3363
0.0622 0.0622 0.8417 0.8417 1.8794 1.8794 2.0008 2.0008
2.2732 2.2732 2.2840 2.2840 2.6741 2.6741 2.7950 2.7950
3.0795 3.0795 4.2716 4.2716 4.7494 4.7494 4.8983 4.8983
11.5820 11.5820 11.8881 11.8881 12.0775 12.0775 12.7369 12.7369
12.8615 12.8615
k =-0.5000 0.3088 0.1143 ( 4464 PWs) bands (ev):
-13.8231 -13.8231 -13.6431 -13.6431 -11.5799 -11.5799 -9.1841 -9.1841
-9.1814 -9.1814 -8.9808 -8.9808 -3.7227 -3.7227 -2.1684 -2.1684
-1.9717 -1.9717 -1.8264 -1.8264 -1.0626 -1.0626 -0.3883 -0.3883
0.0232 0.0232 0.8332 0.8332 1.8754 1.8754 2.0005 2.0005
2.2567 2.2567 2.2998 2.2998 2.7120 2.7120 2.7927 2.7927
3.0691 3.0691 4.2793 4.2793 4.7538 4.7538 4.9141 4.9141
11.5667 11.5667 11.8765 11.8765 12.0895 12.0895 12.7187 12.7187
12.8058 12.8058
k =-0.5000 0.3088 0.0979 ( 4470 PWs) bands (ev):
-13.8247 -13.8247 -13.6420 -13.6420 -11.5925 -11.5925 -9.1843 -9.1843
-9.1529 -9.1529 -8.9805 -8.9805 -3.7608 -3.7608 -2.1286 -2.1286
-1.9325 -1.9325 -1.8223 -1.8223 -1.0767 -1.0767 -0.4368 -0.4368
-0.0134 -0.0134 0.8258 0.8258 1.8723 1.8723 2.0005 2.0005
2.2422 2.2422 2.3138 2.3138 2.7449 2.7449 2.7908 2.7908
3.0599 3.0599 4.2858 4.2858 4.7576 4.7576 4.9286 4.9286
11.5534 11.5534 11.8663 11.8663 12.1028 12.1028 12.7019 12.7019
12.7538 12.7538
k =-0.5000 0.3088 0.0816 ( 4466 PWs) bands (ev):
-13.8261 -13.8261 -13.6411 -13.6411 -11.6031 -11.6031 -9.1865 -9.1865
-9.1262 -9.1262 -8.9802 -8.9802 -3.7937 -3.7937 -2.0923 -2.0923
-1.8973 -1.8973 -1.8189 -1.8189 -1.0884 -1.0884 -0.4807 -0.4807
-0.0466 -0.0466 0.8194 0.8194 1.8699 1.8699 2.0008 2.0008
2.2298 2.2298 2.3257 2.3257 2.7727 2.7727 2.7891 2.7891
3.0520 3.0520 4.2913 4.2913 4.7608 4.7608 4.9413 4.9413
11.5422 11.5422 11.8574 11.8574 12.1171 12.1171 12.6853 12.6853
12.7080 12.7080
k =-0.5000 0.3088 0.0653 ( 4474 PWs) bands (ev):
-13.8272 -13.8272 -13.6403 -13.6403 -11.6119 -11.6119 -9.1883 -9.1883
-9.1041 -9.1041 -8.9800 -8.9800 -3.8211 -3.8211 -2.0605 -2.0605
-1.8670 -1.8670 -1.8160 -1.8160 -1.0980 -1.0980 -0.5188 -0.5188
-0.0755 -0.0755 0.8142 0.8142 1.8682 1.8682 2.0011 2.0011
2.2196 2.2196 2.3355 2.3355 2.7876 2.7876 2.7956 2.7956
3.0455 3.0455 4.2958 4.2958 4.7635 4.7635 4.9521 4.9521
11.5329 11.5329 11.8501 11.8501 12.1316 12.1316 12.6578 12.6578
12.6808 12.6808
k =-0.5000 0.3088 0.0490 ( 4468 PWs) bands (ev):
-13.8281 -13.8281 -13.6397 -13.6397 -11.6187 -11.6187 -9.1898 -9.1898
-9.0866 -9.0866 -8.9799 -8.9799 -3.8427 -3.8427 -2.0343 -2.0343
-1.8425 -1.8425 -1.8137 -1.8137 -1.1053 -1.1053 -0.5500 -0.5500
-0.0992 -0.0992 0.8101 0.8101 1.8670 1.8670 2.0015 2.0015
2.2115 2.2115 2.3432 2.3432 2.7866 2.7866 2.8132 2.8132
3.0404 3.0404 4.2992 4.2992 4.7657 4.7657 4.9608 4.9608
11.5257 11.5257 11.8443 11.8443 12.1453 12.1453 12.6239 12.6239
12.6693 12.6693
k =-0.5000 0.3088 0.0326 ( 4470 PWs) bands (ev):
-13.8287 -13.8287 -13.6393 -13.6393 -11.6235 -11.6235 -9.1908 -9.1908
-9.0740 -9.0740 -8.9798 -8.9798 -3.8583 -3.8583 -2.0147 -2.0147
-1.8248 -1.8248 -1.8117 -1.8117 -1.1105 -1.1105 -0.5733 -0.5733
-0.1168 -0.1168 0.8072 0.8072 1.8662 1.8662 2.0018 2.0018
2.2058 2.2058 2.3488 2.3488 2.7858 2.7858 2.8258 2.8258
3.0368 3.0368 4.3016 4.3016 4.7672 4.7672 4.9671 4.9671
11.5205 11.5205 11.8402 11.8402 12.1568 12.1568 12.5968 12.5968
12.6619 12.6619
k =-0.5000 0.3088 0.0163 ( 4470 PWs) bands (ev):
-13.8291 -13.8291 -13.6390 -13.6390 -11.6264 -11.6264 -9.1914 -9.1914
-9.0664 -9.0664 -8.9797 -8.9797 -3.8678 -3.8678 -2.0026 -2.0026
-1.8156 -1.8156 -1.8087 -1.8087 -1.1137 -1.1137 -0.5877 -0.5877
-0.1276 -0.1276 0.8055 0.8055 1.8658 1.8658 2.0020 2.0020
2.2023 2.2023 2.3521 2.3521 2.7853 2.7853 2.8334 2.8334
3.0346 3.0346 4.3031 4.3031 4.7681 4.7681 4.9710 4.9710
11.5175 11.5175 11.8377 11.8377 12.1646 12.1646 12.5795 12.5795
12.6575 12.6575
k =-0.5000 0.3088 0.0000 ( 4474 PWs) bands (ev):
-13.8292 -13.8292 -13.6389 -13.6389 -11.6274 -11.6274 -9.1916 -9.1916
-9.0638 -9.0638 -8.9797 -8.9797 -3.8709 -3.8709 -1.9984 -1.9984
-1.8137 -1.8137 -1.8065 -1.8065 -1.1147 -1.1147 -0.5925 -0.5925
-0.1313 -0.1313 0.8049 0.8049 1.8657 1.8657 2.0021 2.0021
2.2011 2.2011 2.3532 2.3532 2.7851 2.7851 2.8359 2.8359
3.0338 3.0338 4.3036 4.3036 4.7684 4.7684 4.9723 4.9723
11.5164 11.5164 11.8369 11.8369 12.1674 12.1674 12.5735 12.5735
12.6560 12.6560
k = 0.0000 0.0000 0.5387 ( 4488 PWs) bands (ev):
-13.8411 -13.8411 -13.8411 -13.8411 -10.2449 -10.2449 -10.2449 -10.2449
-9.0507 -9.0507 -9.0507 -9.0507 -4.3022 -4.3022 -4.3022 -4.3022
-0.8353 -0.8353 -0.8353 -0.8353 -0.3598 -0.3598 -0.3598 -0.3598
0.5233 0.5233 0.5233 0.5233 1.6508 1.6508 1.6508 1.6508
2.2690 2.2690 2.2690 2.2690 3.2927 3.2927 3.2927 3.2927
3.7851 3.7851 3.7851 3.7851 5.0157 5.0157 5.0157 5.0157
10.9879 10.9879 10.9879 10.9879 11.5274 11.5274 11.5274 11.5274
12.4705 12.4705
k =-0.0139 0.0086 0.5387 ( 4492 PWs) bands (ev):
-13.8409 -13.8409 -13.8409 -13.8409 -10.2457 -10.2457 -10.2457 -10.2457
-9.0507 -9.0507 -9.0505 -9.0505 -4.3006 -4.3006 -4.3004 -4.3004
-0.8382 -0.8382 -0.8380 -0.8380 -0.3578 -0.3578 -0.3575 -0.3575
0.5244 0.5244 0.5245 0.5245 1.6477 1.6477 1.6479 1.6479
2.2712 2.2712 2.2716 2.2716 3.2919 3.2919 3.2920 3.2920
3.7837 3.7837 3.7839 3.7839 5.0155 5.0155 5.0155 5.0155
10.9872 10.9872 10.9875 10.9875 11.5297 11.5297 11.5304 11.5304
12.4708 12.4708
k =-0.0278 0.0172 0.5387 ( 4488 PWs) bands (ev):
-13.8403 -13.8403 -13.8403 -13.8403 -10.2481 -10.2481 -10.2480 -10.2480
-9.0505 -9.0505 -9.0503 -9.0503 -4.2957 -4.2957 -4.2952 -4.2952
-0.8466 -0.8466 -0.8462 -0.8462 -0.3515 -0.3515 -0.3509 -0.3509
0.5278 0.5278 0.5281 0.5281 1.6387 1.6387 1.6392 1.6392
2.2781 2.2781 2.2787 2.2787 3.2895 3.2895 3.2897 3.2897
3.7798 3.7798 3.7801 3.7801 5.0149 5.0149 5.0149 5.0149
10.9855 10.9855 10.9862 10.9862 11.5373 11.5373 11.5388 11.5388
12.4719 12.4719
k =-0.0417 0.0257 0.5387 ( 4482 PWs) bands (ev):
-13.8393 -13.8393 -13.8393 -13.8393 -10.2521 -10.2521 -10.2520 -10.2520
-9.0502 -9.0502 -9.0499 -9.0499 -4.2875 -4.2875 -4.2867 -4.2867
-0.8601 -0.8601 -0.8594 -0.8594 -0.3412 -0.3412 -0.3403 -0.3403
0.5335 0.5335 0.5339 0.5339 1.6243 1.6243 1.6251 1.6251
2.2891 2.2891 2.2901 2.2901 3.2855 3.2855 3.2857 3.2857
3.7734 3.7734 3.7740 3.7740 5.0138 5.0138 5.0138 5.0138
10.9830 10.9830 10.9841 10.9841 11.5500 11.5500 11.5521 11.5521
12.4738 12.4738
k =-0.0556 0.0343 0.5387 ( 4484 PWs) bands (ev):
-13.8379 -13.8379 -13.8378 -13.8378 -10.2576 -10.2576 -10.2574 -10.2574
-9.0499 -9.0499 -9.0494 -9.0494 -4.2759 -4.2759 -4.2749 -4.2749
-0.8782 -0.8782 -0.8774 -0.8774 -0.3274 -0.3274 -0.3264 -0.3264
0.5415 0.5415 0.5420 0.5420 1.6051 1.6051 1.6061 1.6061
2.3037 2.3037 2.3050 2.3050 3.2799 3.2799 3.2802 3.2802
3.7649 3.7649 3.7656 3.7656 5.0122 5.0122 5.0122 5.0122
10.9802 10.9802 10.9815 10.9815 11.5672 11.5672 11.5700 11.5700
12.4764 12.4764
k =-0.0694 0.0429 0.5387 ( 4478 PWs) bands (ev):
-13.8361 -13.8361 -13.8360 -13.8360 -10.2645 -10.2645 -10.2643 -10.2643
-9.0494 -9.0494 -9.0488 -9.0488 -4.2610 -4.2610 -4.2598 -4.2598
-0.9004 -0.9004 -0.8994 -0.8994 -0.3107 -0.3107 -0.3095 -0.3095
0.5516 0.5516 0.5523 0.5523 1.5817 1.5817 1.5828 1.5828
2.3213 2.3213 2.3229 2.3229 3.2727 3.2727 3.2732 3.2732
3.7543 3.7543 3.7552 3.7552 5.0099 5.0099 5.0099 5.0099
10.9773 10.9773 10.9789 10.9789 11.5885 11.5885 11.5919 11.5919
12.4798 12.4798
k =-0.0833 0.0515 0.5387 ( 4482 PWs) bands (ev):
-13.8339 -13.8339 -13.8338 -13.8338 -10.2729 -10.2729 -10.2727 -10.2727
-9.0488 -9.0488 -9.0481 -9.0481 -4.2429 -4.2429 -4.2414 -4.2414
-0.9261 -0.9261 -0.9251 -0.9251 -0.2915 -0.2915 -0.2901 -0.2901
0.5639 0.5639 0.5647 0.5647 1.5547 1.5547 1.5560 1.5560
2.3411 2.3411 2.3429 2.3429 3.2640 3.2640 3.2645 3.2645
3.7419 3.7419 3.7431 3.7431 5.0068 5.0068 5.0069 5.0069
10.9749 10.9749 10.9767 10.9767 11.6134 11.6134 11.6174 11.6174
12.4838 12.4838
k =-0.0972 0.0600 0.5387 ( 4472 PWs) bands (ev):
-13.8313 -13.8313 -13.8312 -13.8312 -10.2826 -10.2826 -10.2823 -10.2823
-9.0481 -9.0481 -9.0473 -9.0473 -4.2216 -4.2216 -4.2199 -4.2199
-0.9550 -0.9550 -0.9538 -0.9538 -0.2702 -0.2702 -0.2687 -0.2687
0.5782 0.5782 0.5791 0.5791 1.5248 1.5248 1.5262 1.5262
2.3626 2.3626 2.3645 2.3645 3.2537 3.2537 3.2543 3.2543
3.7282 3.7282 3.7295 3.7295 5.0029 5.0029 5.0029 5.0029
10.9732 10.9732 10.9751 10.9751 11.6412 11.6412 11.6458 11.6458
12.4886 12.4886
k =-0.1111 0.0686 0.5387 ( 4464 PWs) bands (ev):
-13.8284 -13.8284 -13.8282 -13.8282 -10.2935 -10.2935 -10.2932 -10.2932
-9.0474 -9.0474 -9.0466 -9.0466 -4.1972 -4.1972 -4.1952 -4.1952
-0.9866 -0.9866 -0.9853 -0.9853 -0.2472 -0.2472 -0.2456 -0.2456
0.5944 0.5944 0.5954 0.5954 1.4924 1.4924 1.4940 1.4940
2.3849 2.3849 2.3871 2.3871 3.2419 3.2419 3.2427 3.2427
3.7133 3.7133 3.7149 3.7149 4.9978 4.9978 4.9979 4.9979
10.9725 10.9725 10.9746 10.9746 11.6714 11.6714 11.6766 11.6766
12.4940 12.4940
k =-0.1250 0.0772 0.5387 ( 4464 PWs) bands (ev):
-13.8251 -13.8251 -13.8250 -13.8250 -10.3055 -10.3055 -10.3052 -10.3052
-9.0467 -9.0467 -9.0458 -9.0458 -4.1697 -4.1697 -4.1675 -4.1675
-1.0206 -1.0206 -1.0193 -1.0193 -0.2228 -0.2228 -0.2211 -0.2211
0.6124 0.6124 0.6135 0.6135 1.4581 1.4581 1.4597 1.4597
2.4077 2.4077 2.4100 2.4100 3.2287 3.2287 3.2295 3.2295
3.6978 3.6978 3.6995 3.6995 4.9916 4.9916 4.9918 4.9918
10.9732 10.9732 10.9753 10.9753 11.7036 11.7036 11.7093 11.7093
12.5001 12.5001
k =-0.1389 0.0858 0.5387 ( 4448 PWs) bands (ev):
-13.8216 -13.8216 -13.8214 -13.8214 -10.3185 -10.3185 -10.3182 -10.3182
-9.0460 -9.0460 -9.0450 -9.0450 -4.1393 -4.1393 -4.1369 -4.1369
-1.0568 -1.0568 -1.0555 -1.0555 -0.1972 -0.1972 -0.1954 -0.1954
0.6322 0.6322 0.6334 0.6334 1.4222 1.4222 1.4239 1.4239
2.4304 2.4304 2.4328 2.4328 3.2142 3.2142 3.2150 3.2150
3.6819 3.6819 3.6837 3.6837 4.9842 4.9842 4.9844 4.9844
10.9753 10.9753 10.9774 10.9774 11.7371 11.7371 11.7434 11.7434
12.5069 12.5069
k =-0.1528 0.0944 0.5387 ( 4450 PWs) bands (ev):
-13.8177 -13.8177 -13.8175 -13.8175 -10.3325 -10.3325 -10.3321 -10.3321
-9.0453 -9.0453 -9.0442 -9.0442 -4.1059 -4.1059 -4.1033 -4.1033
-1.0951 -1.0951 -1.0936 -1.0936 -0.1706 -0.1706 -0.1688 -0.1688
0.6536 0.6536 0.6549 0.6549 1.3851 1.3851 1.3870 1.3870
2.4524 2.4524 2.4550 2.4550 3.1984 3.1984 3.1993 3.1993
3.6659 3.6659 3.6679 3.6679 4.9754 4.9754 4.9757 4.9757
10.9789 10.9789 10.9811 10.9811 11.7717 11.7717 11.7785 11.7785
12.5145 12.5145
k =-0.1667 0.1029 0.5387 ( 4446 PWs) bands (ev):
-13.8136 -13.8136 -13.8134 -13.8134 -10.3472 -10.3472 -10.3468 -10.3468
-9.0446 -9.0446 -9.0434 -9.0434 -4.0698 -4.0698 -4.0670 -4.0670
-1.1352 -1.1352 -1.1337 -1.1337 -0.1432 -0.1432 -0.1414 -0.1414
0.6765 0.6765 0.6779 0.6779 1.3472 1.3472 1.3492 1.3492
2.4734 2.4734 2.4761 2.4761 3.1814 3.1814 3.1824 3.1824
3.6504 3.6504 3.6525 3.6525 4.9652 4.9652 4.9656 4.9656
10.9841 10.9841 10.9864 10.9864 11.8067 11.8067 11.8141 11.8141
12.5231 12.5231
k =-0.1806 0.1115 0.5387 ( 4444 PWs) bands (ev):
-13.8093 -13.8093 -13.8090 -13.8090 -10.3626 -10.3626 -10.3622 -10.3622
-9.0439 -9.0439 -9.0427 -9.0427 -4.0310 -4.0310 -4.0280 -4.0280
-1.1770 -1.1770 -1.1754 -1.1754 -0.1152 -0.1152 -0.1134 -0.1134
0.7007 0.7007 0.7022 0.7022 1.3089 1.3089 1.3110 1.3110
2.4928 2.4928 2.4957 2.4957 3.1635 3.1635 3.1646 3.1646
3.6355 3.6355 3.6377 3.6377 4.9537 4.9537 4.9542 4.9542
10.9909 10.9909 10.9931 10.9931 11.8418 11.8418 11.8498 11.8498
12.5328 12.5328
k =-0.1944 0.1201 0.5387 ( 4440 PWs) bands (ev):
-13.8047 -13.8047 -13.8045 -13.8045 -10.3785 -10.3785 -10.3781 -10.3781
-9.0433 -9.0433 -9.0421 -9.0421 -3.9895 -3.9895 -3.9864 -3.9864
-1.2205 -1.2205 -1.2188 -1.2188 -0.0868 -0.0868 -0.0850 -0.0850
0.7260 0.7260 0.7277 0.7277 1.2706 1.2706 1.2727 1.2727
2.5101 2.5101 2.5131 2.5131 3.1450 3.1450 3.1461 3.1461
3.6216 3.6216 3.6239 3.6239 4.9408 4.9408 4.9414 4.9414
10.9992 10.9992 11.0014 11.0014 11.8765 11.8765 11.8850 11.8850
12.5438 12.5438
k =-0.2083 0.1287 0.5387 ( 4444 PWs) bands (ev):
-13.8000 -13.8000 -13.7997 -13.7997 -10.3948 -10.3948 -10.3944 -10.3944
-9.0428 -9.0428 -9.0416 -9.0416 -3.9456 -3.9456 -3.9424 -3.9424
-1.2655 -1.2655 -1.2638 -1.2638 -0.0581 -0.0581 -0.0562 -0.0562
0.7522 0.7522 0.7541 0.7541 1.2326 1.2326 1.2349 1.2349
2.5248 2.5248 2.5280 2.5280 3.1259 3.1259 3.1272 3.1272
3.6090 3.6090 3.6113 3.6113 4.9266 4.9266 4.9273 4.9273
11.0088 11.0088 11.0111 11.0111 11.9103 11.9103 11.9194 11.9194
12.5563 12.5563
k =-0.2222 0.1373 0.5387 ( 4452 PWs) bands (ev):
-13.7951 -13.7951 -13.7949 -13.7949 -10.4114 -10.4114 -10.4110 -10.4110
-9.0423 -9.0423 -9.0411 -9.0411 -3.8994 -3.8994 -3.8960 -3.8960
-1.3120 -1.3120 -1.3101 -1.3101 -0.0292 -0.0292 -0.0273 -0.0273
0.7788 0.7788 0.7809 0.7809 1.1957 1.1957 1.1981 1.1981
2.5365 2.5365 2.5398 2.5398 3.1068 3.1068 3.1083 3.1083
3.5980 3.5980 3.6003 3.6003 4.9112 4.9112 4.9119 4.9119
11.0198 11.0198 11.0221 11.0221 11.9427 11.9427 11.9523 11.9523
12.5708 12.5708
k =-0.2361 0.1458 0.5387 ( 4454 PWs) bands (ev):
-13.7901 -13.7901 -13.7899 -13.7899 -10.4281 -10.4281 -10.4277 -10.4277
-9.0420 -9.0420 -9.0408 -9.0408 -3.8510 -3.8510 -3.8474 -3.8474
-1.3598 -1.3598 -1.3579 -1.3579 -0.0003 -0.0003 0.0016 0.0016
0.8051 0.8051 0.8074 0.8074 1.1608 1.1608 1.1633 1.1633
2.5445 2.5445 2.5479 2.5479 3.0879 3.0879 3.0895 3.0895
3.5888 3.5888 3.5911 3.5911 4.8946 4.8946 4.8954 4.8954
11.0318 11.0318 11.0341 11.0341 11.9734 11.9734 11.9835 11.9835
12.5874 12.5874
k =-0.2500 0.1544 0.5387 ( 4450 PWs) bands (ev):
-13.7851 -13.7851 -13.7848 -13.7848 -10.4448 -10.4448 -10.4445 -10.4445
-9.0417 -9.0417 -9.0405 -9.0405 -3.8004 -3.8004 -3.7968 -3.7968
-1.4091 -1.4091 -1.4071 -1.4071 0.0285 0.0285 0.0304 0.0304
0.8298 0.8298 0.8324 0.8324 1.1293 1.1293 1.1320 1.1320
2.5485 2.5485 2.5519 2.5519 3.0696 3.0696 3.0714 3.0714
3.5815 3.5815 3.5837 3.5837 4.8771 4.8771 4.8780 4.8780
11.0448 11.0448 11.0471 11.0471 12.0020 12.0020 12.0125 12.0125
12.6065 12.6065
k =-0.2639 0.1630 0.5387 ( 4452 PWs) bands (ev):
-13.7800 -13.7800 -13.7798 -13.7798 -10.4615 -10.4615 -10.4611 -10.4611
-9.0415 -9.0415 -9.0403 -9.0403 -3.7480 -3.7480 -3.7443 -3.7443
-1.4596 -1.4596 -1.4575 -1.4575 0.0570 0.0570 0.0589 0.0589
0.8505 0.8505 0.8534 0.8534 1.1037 1.1037 1.1066 1.1066
2.5479 2.5479 2.5514 2.5514 3.0522 3.0522 3.0542 3.0542
3.5763 3.5763 3.5785 3.5785 4.8586 4.8586 4.8597 4.8597
11.0586 11.0586 11.0609 11.0609 12.0280 12.0280 12.0388 12.0388
12.6282 12.6282
k =-0.2778 0.1716 0.5387 ( 4454 PWs) bands (ev):
-13.7750 -13.7750 -13.7747 -13.7747 -10.4779 -10.4779 -10.4775 -10.4775
-9.0413 -9.0413 -9.0402 -9.0402 -3.6938 -3.6938 -3.6900 -3.6900
-1.5113 -1.5113 -1.5091 -1.5091 0.0851 0.0851 0.0869 0.0869
0.8637 0.8637 0.8669 0.8669 1.0878 1.0878 1.0908 1.0908
2.5425 2.5425 2.5460 2.5460 3.0361 3.0361 3.0382 3.0382
3.5732 3.5732 3.5753 3.5753 4.8396 4.8396 4.8406 4.8406
11.0729 11.0729 11.0753 11.0753 12.0514 12.0514 12.0624 12.0624
12.6528 12.6528
k =-0.2917 0.1801 0.5387 ( 4454 PWs) bands (ev):
-13.7699 -13.7699 -13.7697 -13.7697 -10.4940 -10.4940 -10.4936 -10.4936
-9.0413 -9.0413 -9.0402 -9.0402 -3.6380 -3.6380 -3.6341 -3.6341
-1.5641 -1.5641 -1.5619 -1.5619 0.1126 0.1126 0.1145 0.1145
0.8656 0.8656 0.8687 0.8687 1.0858 1.0858 1.0887 1.0887
2.5322 2.5322 2.5356 2.5356 3.0214 3.0214 3.0236 3.0236
3.5723 3.5723 3.5744 3.5744 4.8200 4.8200 4.8211 4.8211
11.0876 11.0876 11.0900 11.0900 12.0719 12.0719 12.0830 12.0830
12.6800 12.6800
k =-0.3056 0.1887 0.5387 ( 4466 PWs) bands (ev):
-13.7650 -13.7650 -13.7648 -13.7648 -10.5096 -10.5096 -10.5092 -10.5092
-9.0413 -9.0413 -9.0402 -9.0402 -3.5808 -3.5808 -3.5769 -3.5769
-1.6180 -1.6180 -1.6157 -1.6157 0.1394 0.1394 0.1413 0.1413
0.8552 0.8552 0.8581 0.8581 1.0986 1.0986 1.1011 1.1011
2.5169 2.5169 2.5203 2.5203 3.0082 3.0082 3.0105 3.0105
3.5735 3.5735 3.5755 3.5755 4.8001 4.8001 4.8013 4.8013
11.1025 11.1025 11.1048 11.1048 12.0896 12.0896 12.1008 12.1008
12.7097 12.7097
k =-0.3194 0.1973 0.5387 ( 4474 PWs) bands (ev):
-13.7602 -13.7602 -13.7600 -13.7600 -10.5247 -10.5247 -10.5243 -10.5243
-9.0414 -9.0414 -9.0403 -9.0403 -3.5224 -3.5224 -3.5184 -3.5184
-1.6729 -1.6729 -1.6705 -1.6705 0.1655 0.1655 0.1675 0.1675
0.8356 0.8356 0.8383 0.8383 1.1230 1.1230 1.1250 1.1250
2.4970 2.4970 2.5002 2.5002 2.9964 2.9964 2.9987 2.9987
3.5767 3.5767 3.5785 3.5785 4.7801 4.7801 4.7813 4.7813
11.1173 11.1173 11.1197 11.1197 12.1047 12.1047 12.1157 12.1157
12.7414 12.7414
k =-0.3333 0.2059 0.5387 ( 4480 PWs) bands (ev):
-13.7556 -13.7556 -13.7553 -13.7553 -10.5390 -10.5390 -10.5387 -10.5387
-9.0415 -9.0415 -9.0405 -9.0405 -3.4630 -3.4630 -3.4590 -3.4590
-1.7285 -1.7285 -1.7261 -1.7261 0.1908 0.1908 0.1927 0.1927
0.8108 0.8108 0.8133 0.8133 1.1549 1.1549 1.1566 1.1566
2.4728 2.4728 2.4758 2.4758 2.9861 2.9861 2.9883 2.9883
3.5816 3.5816 3.5833 3.5833 4.7602 4.7602 4.7614 4.7614
11.1320 11.1320 11.1343 11.1343 12.1175 12.1175 12.1282 12.1282
12.7747 12.7747
k =-0.3472 0.2145 0.5387 ( 4476 PWs) bands (ev):
-13.7511 -13.7511 -13.7509 -13.7509 -10.5527 -10.5527 -10.5524 -10.5524
-9.0416 -9.0416 -9.0407 -9.0407 -3.4028 -3.4028 -3.3989 -3.3989
-1.7849 -1.7849 -1.7824 -1.7824 0.2152 0.2152 0.2171 0.2171
0.7836 0.7836 0.7860 0.7860 1.1914 1.1914 1.1930 1.1930
2.4448 2.4448 2.4477 2.4477 2.9769 2.9769 2.9791 2.9791
3.5880 3.5880 3.5896 3.5896 4.7406 4.7406 4.7419 4.7419
11.1462 11.1462 11.1485 11.1485 12.1281 12.1281 12.1384 12.1384
12.8088 12.8088
k =-0.3611 0.2230 0.5387 ( 4480 PWs) bands (ev):
-13.7469 -13.7469 -13.7467 -13.7467 -10.5654 -10.5654 -10.5651 -10.5651
-9.0418 -9.0418 -9.0410 -9.0410 -3.3423 -3.3423 -3.3384 -3.3384
-1.8416 -1.8416 -1.8391 -1.8391 0.2386 0.2386 0.2406 0.2406
0.7555 0.7555 0.7579 0.7579 1.2309 1.2309 1.2323 1.2323
2.4136 2.4136 2.4163 2.4163 2.9688 2.9688 2.9709 2.9709
3.5956 3.5956 3.5971 3.5971 4.7217 4.7217 4.7229 4.7229
11.1599 11.1599 11.1622 11.1622 12.1369 12.1369 12.1467 12.1467
12.8429 12.8429
k =-0.3750 0.2316 0.5387 ( 4484 PWs) bands (ev):
-13.7430 -13.7430 -13.7428 -13.7428 -10.5773 -10.5773 -10.5770 -10.5770
-9.0420 -9.0420 -9.0412 -9.0412 -3.2817 -3.2817 -3.2779 -3.2779
-1.8985 -1.8985 -1.8959 -1.8959 0.2610 0.2610 0.2630 0.2630
0.7277 0.7277 0.7300 0.7300 1.2721 1.2721 1.2735 1.2735
2.3799 2.3799 2.3825 2.3825 2.9616 2.9616 2.9636 2.9636
3.6040 3.6040 3.6054 3.6054 4.7035 4.7035 4.7047 4.7047
11.1729 11.1729 11.1751 11.1751 12.1442 12.1442 12.1534 12.1534
12.8762 12.8762
k =-0.3889 0.2402 0.5387 ( 4484 PWs) bands (ev):
-13.7394 -13.7394 -13.7392 -13.7392 -10.5880 -10.5880 -10.5878 -10.5878
-9.0422 -9.0422 -9.0415 -9.0415 -3.2215 -3.2215 -3.2177 -3.2177
-1.9552 -1.9552 -1.9526 -1.9526 0.2824 0.2824 0.2843 0.2843
0.7007 0.7007 0.7029 0.7029 1.3142 1.3142 1.3155 1.3155
2.3445 2.3445 2.3468 2.3468 2.9553 2.9553 2.9571 2.9571
3.6129 3.6129 3.6142 3.6142 4.6864 4.6864 4.6876 4.6876
11.1850 11.1850 11.1870 11.1870 12.1503 12.1503 12.1588 12.1588
12.9078 12.9078
k =-0.4028 0.2488 0.5387 ( 4492 PWs) bands (ev):
-13.7361 -13.7361 -13.7360 -13.7360 -10.5977 -10.5977 -10.5975 -10.5975
-9.0424 -9.0424 -9.0418 -9.0418 -3.1622 -3.1622 -3.1586 -3.1586
-2.0112 -2.0112 -2.0085 -2.0085 0.3026 0.3026 0.3046 0.3046
0.6749 0.6749 0.6771 0.6771 1.3563 1.3563 1.3575 1.3575
2.3081 2.3081 2.3102 2.3102 2.9497 2.9497 2.9513 2.9513
3.6218 3.6218 3.6230 3.6230 4.6706 4.6706 4.6717 4.6717
11.1961 11.1961 11.1980 11.1980 12.1553 12.1553 12.1630 12.1630
12.9367 12.9368
k =-0.4167 0.2573 0.5387 ( 4472 PWs) bands (ev):
-13.7332 -13.7332 -13.7331 -13.7331 -10.6063 -10.6063 -10.6061 -10.6061
-9.0426 -9.0426 -9.0421 -9.0421 -3.1046 -3.1046 -3.1012 -3.1012
-2.0657 -2.0657 -2.0631 -2.0631 0.3217 0.3217 0.3236 0.3236
0.6507 0.6507 0.6528 0.6528 1.3975 1.3975 1.3987 1.3987
2.2716 2.2716 2.2735 2.2735 2.9449 2.9449 2.9462 2.9462
3.6305 3.6305 3.6316 3.6316 4.6563 4.6563 4.6573 4.6573
11.2060 11.2060 11.2077 11.2077 12.1595 12.1595 12.1663 12.1663
12.9623 12.9623
k =-0.4306 0.2659 0.5387 ( 4472 PWs) bands (ev):
-13.7307 -13.7307 -13.7306 -13.7306 -10.6136 -10.6136 -10.6134 -10.6134
-9.0428 -9.0428 -9.0423 -9.0423 -3.0498 -3.0498 -3.0466 -3.0466
-2.1177 -2.1177 -2.1153 -2.1153 0.3394 0.3394 0.3412 0.3412
0.6284 0.6284 0.6304 0.6304 1.4369 1.4369 1.4380 1.4380
2.2362 2.2362 2.2379 2.2379 2.9407 2.9407 2.9419 2.9419
3.6386 3.6386 3.6395 3.6395 4.6438 4.6438 4.6446 4.6446
11.2146 11.2146 11.2161 11.2161 12.1630 12.1630 12.1689 12.1689
12.9838 12.9838
k =-0.4444 0.2745 0.5387 ( 4464 PWs) bands (ev):
-13.7286 -13.7286 -13.7285 -13.7285 -10.6197 -10.6197 -10.6195 -10.6195
-9.0429 -9.0429 -9.0426 -9.0426 -2.9992 -2.9992 -2.9963 -2.9963
-2.1659 -2.1659 -2.1637 -2.1637 0.3555 0.3555 0.3571 0.3571
0.6085 0.6085 0.6104 0.6104 1.4731 1.4731 1.4741 1.4741
2.2032 2.2032 2.2047 2.2047 2.9374 2.9374 2.9383 2.9383
3.6457 3.6457 3.6464 3.6464 4.6332 4.6332 4.6339 4.6339
11.2219 11.2219 11.2231 11.2231 12.1660 12.1660 12.1707 12.1707
13.0009 13.0009
k =-0.4583 0.2831 0.5387 ( 4468 PWs) bands (ev):
-13.7270 -13.7270 -13.7269 -13.7269 -10.6244 -10.6244 -10.6243 -10.6243
-9.0430 -9.0430 -9.0428 -9.0428 -2.9548 -2.9548 -2.9524 -2.9524
-2.2082 -2.2082 -2.2063 -2.2063 0.3695 0.3695 0.3709 0.3709
0.5916 0.5916 0.5932 0.5932 1.5044 1.5044 1.5053 1.5053
2.1744 2.1744 2.1756 2.1756 2.9347 2.9347 2.9354 2.9354
3.6516 3.6516 3.6522 3.6522 4.6247 4.6247 4.6253 4.6253
11.2277 11.2277 11.2286 11.2286 12.1683 12.1683 12.1719 12.1719
13.0137 13.0137
k =-0.4722 0.2917 0.5387 ( 4468 PWs) bands (ev):
-13.7258 -13.7258 -13.7258 -13.7258 -10.6278 -10.6278 -10.6278 -10.6278
-9.0431 -9.0431 -9.0429 -9.0429 -2.9193 -2.9193 -2.9175 -2.9175
-2.2419 -2.2419 -2.2404 -2.2404 0.3807 0.3807 0.3818 0.3818
0.5785 0.5785 0.5796 0.5796 1.5291 1.5291 1.5298 1.5298
2.1516 2.1516 2.1524 2.1524 2.9329 2.9329 2.9333 2.9333
3.6560 3.6560 3.6564 3.6564 4.6186 4.6186 4.6190 4.6190
11.2319 11.2319 11.2325 11.2325 12.1701 12.1701 12.1726 12.1726
13.0225 13.0225
k =-0.4861 0.3002 0.5387 ( 4480 PWs) bands (ev):
-13.7251 -13.7251 -13.7251 -13.7251 -10.6299 -10.6299 -10.6298 -10.6298
-9.0431 -9.0431 -9.0430 -9.0430 -2.8958 -2.8958 -2.8949 -2.8949
-2.2638 -2.2638 -2.2631 -2.2631 0.3882 0.3882 0.3888 0.3888
0.5700 0.5700 0.5707 0.5707 1.5451 1.5451 1.5454 1.5454
2.1369 2.1369 2.1373 2.1373 2.9318 2.9318 2.9320 2.9320
3.6588 3.6588 3.6589 3.6589 4.6149 4.6149 4.6151 4.6151
11.2345 11.2345 11.2348 11.2348 12.1715 12.1715 12.1727 12.1727
13.0278 13.0278
k =-0.5000 0.3088 0.5387 ( 4476 PWs) bands (ev):
-13.7248 -13.7248 -13.7248 -13.7248 -10.6305 -10.6305 -10.6305 -10.6305
-9.0431 -9.0431 -9.0431 -9.0431 -2.8873 -2.8873 -2.8873 -2.8873
-2.2713 -2.2713 -2.2713 -2.2713 0.3911 0.3911 0.3911 0.3911
0.5673 0.5673 0.5673 0.5673 1.5508 1.5508 1.5508 1.5508
2.1319 2.1319 2.1319 2.1319 2.9315 2.9315 2.9315 2.9315
3.6598 3.6598 3.6598 3.6598 4.6137 4.6137 4.6137 4.6137
11.2355 11.2355 11.2355 11.2355 12.1724 12.1724 12.1724 12.1724
13.0301 13.0301
Writing output data file Si2N2O.save
init_run : 2.52s CPU 14.02s WALL ( 1 calls)
electrons : 1523.72s CPU 1539.59s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.03s WALL ( 1 calls)
potinit : 0.56s CPU 1.86s WALL ( 1 calls)
Called by electrons:
c_bands : 1523.68s CPU 1539.28s WALL ( 1 calls)
v_of_rho : 0.19s CPU 0.89s WALL ( 1 calls)
v_h : 0.00s CPU 0.02s WALL ( 1 calls)
v_xc : 0.18s CPU 0.53s WALL ( 1 calls)
newd : 0.65s CPU 0.83s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.02s CPU 0.11s WALL ( 374 calls)
cegterg : 1196.22s CPU 1203.13s WALL ( 1219 calls)
Called by sum_band:
Called by *egterg:
h_psi : 426.97s CPU 440.04s WALL ( 23267 calls)
s_psi : 68.18s CPU 68.62s WALL ( 23267 calls)
g_psi : 0.97s CPU 1.04s WALL ( 21674 calls)
cdiaghg : 541.16s CPU 535.54s WALL ( 22048 calls)
cegterg:over : 90.51s CPU 86.41s WALL ( 21674 calls)
cegterg:upda : 20.04s CPU 26.51s WALL ( 21674 calls)
cegterg:last : 15.75s CPU 16.84s WALL ( 2732 calls)
Called by h_psi:
h_psi:vloc : 287.03s CPU 297.79s WALL ( 23267 calls)
h_psi:vnl : 139.51s CPU 140.98s WALL ( 23267 calls)
add_vuspsi : 50.52s CPU 57.86s WALL ( 23267 calls)
General routines
calbec : 88.88s CPU 82.93s WALL ( 23267 calls)
fft : 0.34s CPU 1.42s WALL ( 19 calls)
ffts : 0.04s CPU 0.04s WALL ( 4 calls)
fftw : 271.51s CPU 276.61s WALL ( 1822032 calls)
interpolate : 0.10s CPU 0.13s WALL ( 4 calls)
davcio : 0.03s CPU 11.74s WALL ( 748 calls)
Parallel routines
fft_scatter : 169.20s CPU 174.23s WALL ( 1822055 calls)
PWSCF : 28m 5.09s CPU 31m21.58s WALL
This run was terminated on: 4:54:44 5Dec2015
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=