Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:16
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 & OpenMP), running on 72 processor cores
Number of MPI processes: 36
Threads/MPI process: 2
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./SrHClO.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per band group will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 38 22 6 2734 1198 188
Max 39 23 8 2745 1217 195
Sum 1369 805 241 98471 43499 6825
bravais-lattice index = 14
lattice parameter (alat) = 7.8312 a.u.
unit-cell volume = 998.8045 (a.u.)^3
number of atoms/cell = 8
number of atomic types = 4
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)= 7.831213 celldm(2)= 1.000000 celldm(3)= 2.401390
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.500000 0.866025 0.000000 )
a(3) = ( 0.000000 0.000000 2.401390 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.577350 -0.000000 )
b(2) = ( 0.000000 1.154701 -0.000000 )
b(3) = ( 0.000000 0.000000 0.416425 )
PseudoPot. # 1 for O read from file:
/users/gautes/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 H read from file:
/users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF
MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d
Pseudo is Ultrasoft, Zval = 1.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 929 points, 2 beta functions with:
l(1) = 0
l(2) = 0
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Sr read from file:
/users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 971034ad0a3914f6282d12395b0824f8
Pseudo is Ultrasoft + core correction, Zval = 10.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1221 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. # 4 for Cl read from file:
/users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1157 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
H 1.00 1.00790 H( 1.00)
Sr 10.00 87.62000 Sr( 1.00)
Cl 7.00 35.45300 Cl( 1.00)
12 Sym. Ops. (no inversion) found ( 6 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 3 60 deg rotation - cryst. axis [0,0,1]
cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 )
( -1 0 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 )
( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 4 60 deg rotation - cryst. axis [0,0,-1]
cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 )
( 1 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 )
( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 5 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 5) = ( 0 1 0 )
( -1 -1 0 )
( 0 0 1 )
cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 6 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 6) = ( -1 -1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 )
( -1 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 8) = ( -1 0 0 )
( 1 1 0 )
( 0 0 1 )
cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0]
cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 )
( 1 0 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 )
( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0]
cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 )
( 0 1 0 ) ( 0.0000000 )
( 0 0 1 ) ( 0.5000000 )
cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 )
( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( 1.2006950 )
isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s(11) = ( 1 1 0 )
( 0 -1 0 )
( 0 0 1 )
cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s(12) = ( 0 -1 0 )
( -1 0 0 )
( 0 0 1 )
cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group C_6v (6mm)
there are 9 classes and 3 irreducible representations
the character table:
E -E 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d
-C2 -3s_v -3s_d
G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00
G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00
G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C6 3 4
60 deg rotation - cryst. axis [0,0,1]
-2C6 -3 -4
60 deg rotation - cryst. axis [0,0,1] E
2C3 5 6
120 deg rotation - cryst. axis [0,0,1]
-2C3 -5 -6
120 deg rotation - cryst. axis [0,0,1] E
C2 -C2 2 -2
180 deg rotation - cart. axis [0,0,1]
3s_v-3s_v 7 -7 9 10 -10 -9
inv. 180 deg rotation - cart. axis [0,1,0]
3s_d-3s_d 8 -8 12 -11 11 -12
inv. 180 deg rotation - cart. axis [1,0,0]
Cartesian axes
number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033445
k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033445
k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033445
k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033445
k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033445
k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033445
k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033445
k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033445
k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033445
k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033445
k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033445
k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033445
k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033445
k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033445
k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033445
k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033445
k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033445
k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033445
k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033445
k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033445
k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033445
k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033445
k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033445
k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033445
k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033445
k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033445
k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033445
k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033445
k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033445
k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033445
k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033445
k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033445
k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033445
k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033445
k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033445
k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033445
k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033445
k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033445
k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033445
k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033445
k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033445
k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033445
k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033445
k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445
k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445
k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0033445
k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0033445
k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0033445
k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0033445
k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0033445
k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0033445
k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0033445
k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0033445
k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0033445
k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0033445
k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0033445
k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0033445
k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033445
k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0033445
k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0033445
k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0033445
k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0033445
k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0033445
k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0033445
k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0033445
k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0033445
k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0033445
k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0033445
k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0033445
k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0033445
k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445
k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445
k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0033445
k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0033445
k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0033445
k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0033445
k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0033445
k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0033445
k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0033445
k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0033445
k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0033445
k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0033445
k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0033445
k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0033445
k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0033445
k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0033445
k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0033445
k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0033445
k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033445
k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0033445
k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0033445
k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0033445
k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0033445
k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0033445
k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0033445
k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0033445
k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0033445
k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0033445
k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0033445
k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0033445
k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0033445
k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0033445
k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0033445
k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0033445
k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0033445
k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033445
k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0033445
k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0033445
k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0033445
k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0033445
k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0033445
k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0033445
k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0033445
k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0033445
k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0033445
k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0033445
k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0033445
k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0033445
k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0033445
k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0033445
k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0033445
k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0033445
k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 126) = ( 0.0000000 0.0000000 0.0130133), wk = 0.0033445
k( 127) = ( 0.0000000 0.0000000 0.0260266), wk = 0.0033445
k( 128) = ( 0.0000000 0.0000000 0.0390399), wk = 0.0033445
k( 129) = ( 0.0000000 0.0000000 0.0520532), wk = 0.0033445
k( 130) = ( 0.0000000 0.0000000 0.0650665), wk = 0.0033445
k( 131) = ( 0.0000000 0.0000000 0.0780798), wk = 0.0033445
k( 132) = ( 0.0000000 0.0000000 0.0910931), wk = 0.0033445
k( 133) = ( 0.0000000 0.0000000 0.1041064), wk = 0.0033445
k( 134) = ( 0.0000000 0.0000000 0.1171197), wk = 0.0033445
k( 135) = ( 0.0000000 0.0000000 0.1301330), wk = 0.0033445
k( 136) = ( 0.0000000 0.0000000 0.1431463), wk = 0.0033445
k( 137) = ( 0.0000000 0.0000000 0.1561596), wk = 0.0033445
k( 138) = ( 0.0000000 0.0000000 0.1691729), wk = 0.0033445
k( 139) = ( 0.0000000 0.0000000 0.1821862), wk = 0.0033445
k( 140) = ( 0.0000000 0.0000000 0.1951995), wk = 0.0033445
k( 141) = ( 0.0000000 0.0000000 0.2082127), wk = 0.0033445
k( 142) = ( 0.0000000 0.0000000 0.2082127), wk = 0.0033445
k( 143) = ( 0.0113636 0.0065608 0.2082127), wk = 0.0033445
k( 144) = ( 0.0227273 0.0131216 0.2082127), wk = 0.0033445
k( 145) = ( 0.0340909 0.0196824 0.2082127), wk = 0.0033445
k( 146) = ( 0.0454546 0.0262432 0.2082127), wk = 0.0033445
k( 147) = ( 0.0568182 0.0328040 0.2082127), wk = 0.0033445
k( 148) = ( 0.0681818 0.0393648 0.2082127), wk = 0.0033445
k( 149) = ( 0.0795455 0.0459256 0.2082127), wk = 0.0033445
k( 150) = ( 0.0909091 0.0524864 0.2082127), wk = 0.0033445
k( 151) = ( 0.1022727 0.0590472 0.2082127), wk = 0.0033445
k( 152) = ( 0.1136364 0.0656080 0.2082127), wk = 0.0033445
k( 153) = ( 0.1250000 0.0721688 0.2082127), wk = 0.0033445
k( 154) = ( 0.1363636 0.0787296 0.2082127), wk = 0.0033445
k( 155) = ( 0.1477273 0.0852904 0.2082127), wk = 0.0033445
k( 156) = ( 0.1590909 0.0918512 0.2082127), wk = 0.0033445
k( 157) = ( 0.1704546 0.0984120 0.2082127), wk = 0.0033445
k( 158) = ( 0.1818182 0.1049728 0.2082127), wk = 0.0033445
k( 159) = ( 0.1931818 0.1115336 0.2082127), wk = 0.0033445
k( 160) = ( 0.2045454 0.1180944 0.2082127), wk = 0.0033445
k( 161) = ( 0.2159091 0.1246552 0.2082127), wk = 0.0033445
k( 162) = ( 0.2272727 0.1312160 0.2082127), wk = 0.0033445
k( 163) = ( 0.2386364 0.1377768 0.2082127), wk = 0.0033445
k( 164) = ( 0.2500000 0.1443376 0.2082127), wk = 0.0033445
k( 165) = ( 0.2613636 0.1508984 0.2082127), wk = 0.0033445
k( 166) = ( 0.2727273 0.1574592 0.2082127), wk = 0.0033445
k( 167) = ( 0.2840909 0.1640200 0.2082127), wk = 0.0033445
k( 168) = ( 0.2954545 0.1705808 0.2082127), wk = 0.0033445
k( 169) = ( 0.3068182 0.1771416 0.2082127), wk = 0.0033445
k( 170) = ( 0.3181818 0.1837024 0.2082127), wk = 0.0033445
k( 171) = ( 0.3295455 0.1902632 0.2082127), wk = 0.0033445
k( 172) = ( 0.3409091 0.1968240 0.2082127), wk = 0.0033445
k( 173) = ( 0.3522727 0.2033848 0.2082127), wk = 0.0033445
k( 174) = ( 0.3636364 0.2099456 0.2082127), wk = 0.0033445
k( 175) = ( 0.3750000 0.2165064 0.2082127), wk = 0.0033445
k( 176) = ( 0.3863636 0.2230672 0.2082127), wk = 0.0033445
k( 177) = ( 0.3977273 0.2296279 0.2082127), wk = 0.0033445
k( 178) = ( 0.4090909 0.2361887 0.2082127), wk = 0.0033445
k( 179) = ( 0.4204545 0.2427495 0.2082127), wk = 0.0033445
k( 180) = ( 0.4318182 0.2493103 0.2082127), wk = 0.0033445
k( 181) = ( 0.4431818 0.2558711 0.2082127), wk = 0.0033445
k( 182) = ( 0.4545455 0.2624319 0.2082127), wk = 0.0033445
k( 183) = ( 0.4659091 0.2689927 0.2082127), wk = 0.0033445
k( 184) = ( 0.4772727 0.2755535 0.2082127), wk = 0.0033445
k( 185) = ( 0.4886364 0.2821143 0.2082127), wk = 0.0033445
k( 186) = ( 0.5000000 0.2886751 0.2082127), wk = 0.0033445
k( 187) = ( 0.5000000 0.2886751 0.2082127), wk = 0.0033445
k( 188) = ( 0.4935897 0.2997780 0.2082127), wk = 0.0033445
k( 189) = ( 0.4871795 0.3108809 0.2082127), wk = 0.0033445
k( 190) = ( 0.4807692 0.3219838 0.2082127), wk = 0.0033445
k( 191) = ( 0.4743590 0.3330867 0.2082127), wk = 0.0033445
k( 192) = ( 0.4679487 0.3441896 0.2082127), wk = 0.0033445
k( 193) = ( 0.4615385 0.3552925 0.2082127), wk = 0.0033445
k( 194) = ( 0.4551282 0.3663954 0.2082127), wk = 0.0033445
k( 195) = ( 0.4487179 0.3774983 0.2082127), wk = 0.0033445
k( 196) = ( 0.4423077 0.3886011 0.2082127), wk = 0.0033445
k( 197) = ( 0.4358974 0.3997040 0.2082127), wk = 0.0033445
k( 198) = ( 0.4294872 0.4108069 0.2082127), wk = 0.0033445
k( 199) = ( 0.4230769 0.4219098 0.2082127), wk = 0.0033445
k( 200) = ( 0.4166667 0.4330127 0.2082127), wk = 0.0033445
k( 201) = ( 0.4102564 0.4441156 0.2082127), wk = 0.0033445
k( 202) = ( 0.4038462 0.4552185 0.2082127), wk = 0.0033445
k( 203) = ( 0.3974359 0.4663214 0.2082127), wk = 0.0033445
k( 204) = ( 0.3910256 0.4774243 0.2082127), wk = 0.0033445
k( 205) = ( 0.3846154 0.4885271 0.2082127), wk = 0.0033445
k( 206) = ( 0.3782051 0.4996300 0.2082127), wk = 0.0033445
k( 207) = ( 0.3717949 0.5107329 0.2082127), wk = 0.0033445
k( 208) = ( 0.3653846 0.5218358 0.2082127), wk = 0.0033445
k( 209) = ( 0.3589744 0.5329387 0.2082127), wk = 0.0033445
k( 210) = ( 0.3525641 0.5440416 0.2082127), wk = 0.0033445
k( 211) = ( 0.3461538 0.5551445 0.2082127), wk = 0.0033445
k( 212) = ( 0.3397436 0.5662474 0.2082127), wk = 0.0033445
k( 213) = ( 0.3333333 0.5773503 0.2082127), wk = 0.0033445
k( 214) = ( 0.3333333 0.5773503 0.2082127), wk = 0.0033445
k( 215) = ( 0.3267974 0.5660297 0.2082127), wk = 0.0033445
k( 216) = ( 0.3202614 0.5547091 0.2082127), wk = 0.0033445
k( 217) = ( 0.3137255 0.5433885 0.2082127), wk = 0.0033445
k( 218) = ( 0.3071895 0.5320679 0.2082127), wk = 0.0033445
k( 219) = ( 0.3006536 0.5207473 0.2082127), wk = 0.0033445
k( 220) = ( 0.2941177 0.5094267 0.2082127), wk = 0.0033445
k( 221) = ( 0.2875817 0.4981061 0.2082127), wk = 0.0033445
k( 222) = ( 0.2810457 0.4867855 0.2082127), wk = 0.0033445
k( 223) = ( 0.2745098 0.4754649 0.2082127), wk = 0.0033445
k( 224) = ( 0.2679739 0.4641443 0.2082127), wk = 0.0033445
k( 225) = ( 0.2614379 0.4528237 0.2082127), wk = 0.0033445
k( 226) = ( 0.2549020 0.4415031 0.2082127), wk = 0.0033445
k( 227) = ( 0.2483660 0.4301825 0.2082127), wk = 0.0033445
k( 228) = ( 0.2418301 0.4188620 0.2082127), wk = 0.0033445
k( 229) = ( 0.2352941 0.4075414 0.2082127), wk = 0.0033445
k( 230) = ( 0.2287582 0.3962208 0.2082127), wk = 0.0033445
k( 231) = ( 0.2222222 0.3849002 0.2082127), wk = 0.0033445
k( 232) = ( 0.2156863 0.3735796 0.2082127), wk = 0.0033445
k( 233) = ( 0.2091503 0.3622590 0.2082127), wk = 0.0033445
k( 234) = ( 0.2026144 0.3509384 0.2082127), wk = 0.0033445
k( 235) = ( 0.1960784 0.3396178 0.2082127), wk = 0.0033445
k( 236) = ( 0.1895425 0.3282972 0.2082127), wk = 0.0033445
k( 237) = ( 0.1830065 0.3169766 0.2082127), wk = 0.0033445
k( 238) = ( 0.1764706 0.3056560 0.2082127), wk = 0.0033445
k( 239) = ( 0.1699346 0.2943354 0.2082127), wk = 0.0033445
k( 240) = ( 0.1633987 0.2830148 0.2082127), wk = 0.0033445
k( 241) = ( 0.1568627 0.2716943 0.2082127), wk = 0.0033445
k( 242) = ( 0.1503268 0.2603737 0.2082127), wk = 0.0033445
k( 243) = ( 0.1437908 0.2490531 0.2082127), wk = 0.0033445
k( 244) = ( 0.1372549 0.2377325 0.2082127), wk = 0.0033445
k( 245) = ( 0.1307190 0.2264119 0.2082127), wk = 0.0033445
k( 246) = ( 0.1241830 0.2150913 0.2082127), wk = 0.0033445
k( 247) = ( 0.1176471 0.2037707 0.2082127), wk = 0.0033445
k( 248) = ( 0.1111111 0.1924501 0.2082127), wk = 0.0033445
k( 249) = ( 0.1045752 0.1811295 0.2082127), wk = 0.0033445
k( 250) = ( 0.0980392 0.1698089 0.2082127), wk = 0.0033445
k( 251) = ( 0.0915033 0.1584883 0.2082127), wk = 0.0033445
k( 252) = ( 0.0849673 0.1471677 0.2082127), wk = 0.0033445
k( 253) = ( 0.0784314 0.1358471 0.2082127), wk = 0.0033445
k( 254) = ( 0.0718954 0.1245265 0.2082127), wk = 0.0033445
k( 255) = ( 0.0653595 0.1132059 0.2082127), wk = 0.0033445
k( 256) = ( 0.0588235 0.1018853 0.2082127), wk = 0.0033445
k( 257) = ( 0.0522876 0.0905647 0.2082127), wk = 0.0033445
k( 258) = ( 0.0457516 0.0792441 0.2082127), wk = 0.0033445
k( 259) = ( 0.0392157 0.0679236 0.2082127), wk = 0.0033445
k( 260) = ( 0.0326797 0.0566030 0.2082127), wk = 0.0033445
k( 261) = ( 0.0261438 0.0452824 0.2082127), wk = 0.0033445
k( 262) = ( 0.0196078 0.0339618 0.2082127), wk = 0.0033445
k( 263) = ( 0.0130719 0.0226412 0.2082127), wk = 0.0033445
k( 264) = ( 0.0065359 0.0113206 0.2082127), wk = 0.0033445
k( 265) = ( 0.0000000 0.0000000 0.2082127), wk = 0.0033445
k( 266) = ( 0.5000000 0.2886751 0.2082127), wk = 0.0033445
k( 267) = ( 0.5000000 0.2886751 0.1951995), wk = 0.0033445
k( 268) = ( 0.5000000 0.2886751 0.1821862), wk = 0.0033445
k( 269) = ( 0.5000000 0.2886751 0.1691729), wk = 0.0033445
k( 270) = ( 0.5000000 0.2886751 0.1561596), wk = 0.0033445
k( 271) = ( 0.5000000 0.2886751 0.1431463), wk = 0.0033445
k( 272) = ( 0.5000000 0.2886751 0.1301330), wk = 0.0033445
k( 273) = ( 0.5000000 0.2886751 0.1171197), wk = 0.0033445
k( 274) = ( 0.5000000 0.2886751 0.1041064), wk = 0.0033445
k( 275) = ( 0.5000000 0.2886751 0.0910931), wk = 0.0033445
k( 276) = ( 0.5000000 0.2886751 0.0780798), wk = 0.0033445
k( 277) = ( 0.5000000 0.2886751 0.0650665), wk = 0.0033445
k( 278) = ( 0.5000000 0.2886751 0.0520532), wk = 0.0033445
k( 279) = ( 0.5000000 0.2886751 0.0390399), wk = 0.0033445
k( 280) = ( 0.5000000 0.2886751 0.0260266), wk = 0.0033445
k( 281) = ( 0.5000000 0.2886751 0.0130133), wk = 0.0033445
k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445
k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445
k( 284) = ( 0.3333333 0.5773503 0.0130133), wk = 0.0033445
k( 285) = ( 0.3333333 0.5773503 0.0260266), wk = 0.0033445
k( 286) = ( 0.3333333 0.5773503 0.0390399), wk = 0.0033445
k( 287) = ( 0.3333333 0.5773503 0.0520532), wk = 0.0033445
k( 288) = ( 0.3333333 0.5773503 0.0650665), wk = 0.0033445
k( 289) = ( 0.3333333 0.5773503 0.0780798), wk = 0.0033445
k( 290) = ( 0.3333333 0.5773503 0.0910931), wk = 0.0033445
k( 291) = ( 0.3333333 0.5773503 0.1041064), wk = 0.0033445
k( 292) = ( 0.3333333 0.5773503 0.1171197), wk = 0.0033445
k( 293) = ( 0.3333333 0.5773503 0.1301330), wk = 0.0033445
k( 294) = ( 0.3333333 0.5773503 0.1431463), wk = 0.0033445
k( 295) = ( 0.3333333 0.5773503 0.1561596), wk = 0.0033445
k( 296) = ( 0.3333333 0.5773503 0.1691729), wk = 0.0033445
k( 297) = ( 0.3333333 0.5773503 0.1821862), wk = 0.0033445
k( 298) = ( 0.3333333 0.5773503 0.1951995), wk = 0.0033445
k( 299) = ( 0.3333333 0.5773503 0.2082127), wk = 0.0033445
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0033445
k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0033445
k( 4) = ( 0.0340909 -0.0000000 0.0000000), wk = 0.0033445
k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0033445
k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0033445
k( 7) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0033445
k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0033445
k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0033445
k( 10) = ( 0.1022727 -0.0000000 0.0000000), wk = 0.0033445
k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0033445
k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0033445
k( 13) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0033445
k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0033445
k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0033445
k( 16) = ( 0.1704546 -0.0000000 0.0000000), wk = 0.0033445
k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0033445
k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0033445
k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0033445
k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0033445
k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0033445
k( 22) = ( 0.2386364 -0.0000000 0.0000000), wk = 0.0033445
k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033445
k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0033445
k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0033445
k( 26) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0033445
k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0033445
k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0033445
k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0033445
k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0033445
k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0033445
k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0033445
k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0033445
k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033445
k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0033445
k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0033445
k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0033445
k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0033445
k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0033445
k( 40) = ( 0.4431818 -0.0000000 0.0000000), wk = 0.0033445
k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0033445
k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0033445
k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0033445
k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0033445
k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033445
k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033445
k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0033445
k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0033445
k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0033445
k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0033445
k( 51) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0033445
k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0033445
k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0033445
k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0033445
k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0033445
k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0033445
k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0033445
k( 58) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0033445
k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033445
k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0033445
k( 61) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0033445
k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0033445
k( 63) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0033445
k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0033445
k( 65) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0033445
k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0033445
k( 67) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0033445
k( 68) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0033445
k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0033445
k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0033445
k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0033445
k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445
k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445
k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0033445
k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0033445
k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0033445
k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0033445
k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0033445
k( 79) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0033445
k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0033445
k( 81) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0033445
k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0033445
k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0033445
k( 84) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0033445
k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0033445
k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0033445
k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0033445
k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0033445
k( 89) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0033445
k( 90) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033445
k( 91) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0033445
k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0033445
k( 93) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0033445
k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0033445
k( 95) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0033445
k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0033445
k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0033445
k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0033445
k( 99) = ( 0.1633987 0.1633987 0.0000000), wk = 0.0033445
k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0033445
k( 101) = ( 0.1503268 0.1503268 -0.0000000), wk = 0.0033445
k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0033445
k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0033445
k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0033445
k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0033445
k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0033445
k( 107) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033445
k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0033445
k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0033445
k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0033445
k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0033445
k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0033445
k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0033445
k( 114) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0033445
k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0033445
k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0033445
k( 117) = ( 0.0457516 0.0457516 -0.0000000), wk = 0.0033445
k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0033445
k( 119) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0033445
k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0033445
k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0033445
k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0033445
k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0033445
k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445
k( 126) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0033445
k( 127) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033445
k( 128) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0033445
k( 129) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033445
k( 130) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0033445
k( 131) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033445
k( 132) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0033445
k( 133) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445
k( 134) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0033445
k( 135) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033445
k( 136) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0033445
k( 137) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033445
k( 138) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0033445
k( 139) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033445
k( 140) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0033445
k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445
k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445
k( 143) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0033445
k( 144) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0033445
k( 145) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0033445
k( 146) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0033445
k( 147) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0033445
k( 148) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0033445
k( 149) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0033445
k( 150) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0033445
k( 151) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0033445
k( 152) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0033445
k( 153) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033445
k( 154) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0033445
k( 155) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0033445
k( 156) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0033445
k( 157) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0033445
k( 158) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0033445
k( 159) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0033445
k( 160) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0033445
k( 161) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0033445
k( 162) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0033445
k( 163) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0033445
k( 164) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033445
k( 165) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0033445
k( 166) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0033445
k( 167) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0033445
k( 168) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0033445
k( 169) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0033445
k( 170) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0033445
k( 171) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0033445
k( 172) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0033445
k( 173) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0033445
k( 174) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0033445
k( 175) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033445
k( 176) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0033445
k( 177) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0033445
k( 178) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0033445
k( 179) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0033445
k( 180) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0033445
k( 181) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0033445
k( 182) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0033445
k( 183) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0033445
k( 184) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0033445
k( 185) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0033445
k( 186) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033445
k( 187) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033445
k( 188) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0033445
k( 189) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0033445
k( 190) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0033445
k( 191) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0033445
k( 192) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0033445
k( 193) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0033445
k( 194) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0033445
k( 195) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0033445
k( 196) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0033445
k( 197) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0033445
k( 198) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0033445
k( 199) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0033445
k( 200) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033445
k( 201) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0033445
k( 202) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0033445
k( 203) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0033445
k( 204) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0033445
k( 205) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0033445
k( 206) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0033445
k( 207) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0033445
k( 208) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0033445
k( 209) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0033445
k( 210) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0033445
k( 211) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0033445
k( 212) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0033445
k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445
k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445
k( 215) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0033445
k( 216) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0033445
k( 217) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0033445
k( 218) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0033445
k( 219) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0033445
k( 220) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0033445
k( 221) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0033445
k( 222) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0033445
k( 223) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0033445
k( 224) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0033445
k( 225) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0033445
k( 226) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0033445
k( 227) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0033445
k( 228) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0033445
k( 229) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0033445
k( 230) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0033445
k( 231) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033445
k( 232) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0033445
k( 233) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0033445
k( 234) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0033445
k( 235) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0033445
k( 236) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0033445
k( 237) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0033445
k( 238) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0033445
k( 239) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0033445
k( 240) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0033445
k( 241) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0033445
k( 242) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0033445
k( 243) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0033445
k( 244) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0033445
k( 245) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0033445
k( 246) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0033445
k( 247) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0033445
k( 248) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033445
k( 249) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0033445
k( 250) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0033445
k( 251) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0033445
k( 252) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0033445
k( 253) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0033445
k( 254) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0033445
k( 255) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0033445
k( 256) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0033445
k( 257) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0033445
k( 258) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0033445
k( 259) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0033445
k( 260) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0033445
k( 261) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0033445
k( 262) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0033445
k( 263) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0033445
k( 264) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0033445
k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445
k( 266) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033445
k( 267) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0033445
k( 268) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0033445
k( 269) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0033445
k( 270) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0033445
k( 271) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0033445
k( 272) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0033445
k( 273) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0033445
k( 274) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033445
k( 275) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0033445
k( 276) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0033445
k( 277) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0033445
k( 278) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0033445
k( 279) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0033445
k( 280) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0033445
k( 281) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0033445
k( 282) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033445
k( 283) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445
k( 284) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0033445
k( 285) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0033445
k( 286) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0033445
k( 287) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033445
k( 288) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0033445
k( 289) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0033445
k( 290) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0033445
k( 291) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445
k( 292) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0033445
k( 293) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0033445
k( 294) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0033445
k( 295) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033445
k( 296) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0033445
k( 297) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0033445
k( 298) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0033445
k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445
Dense grid: 98471 G-vectors FFT dimensions: ( 45, 45, 108)
Smooth grid: 43499 G-vectors FFT dimensions: ( 36, 36, 90)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.30 Mb ( 342, 58)
NL pseudopotentials 0.44 Mb ( 171, 168)
Each V/rho on FFT grid 0.09 Mb ( 6075)
Each G-vector array 0.02 Mb ( 2736)
G-vector shells 0.01 Mb ( 1344)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.21 Mb ( 342, 232)
Each subspace H/S matrix 0.05 Mb ( 58, 58)
Each <psi_i|beta_j> matrix 0.30 Mb ( 168, 2, 58)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./SrHClO.save/charge-density.dat
Starting wfc are 68 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 4.0 secs
Computing kpt #: 2
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 6.1 secs
Computing kpt #: 3
total cpu time spent up to now is 7.3 secs
Computing kpt #: 4
total cpu time spent up to now is 8.4 secs
Computing kpt #: 5
total cpu time spent up to now is 9.4 secs
Computing kpt #: 6
total cpu time spent up to now is 10.6 secs
Computing kpt #: 7
total cpu time spent up to now is 11.7 secs
Computing kpt #: 8
total cpu time spent up to now is 12.8 secs
Computing kpt #: 9
total cpu time spent up to now is 14.0 secs
Computing kpt #: 10
total cpu time spent up to now is 15.1 secs
Computing kpt #: 11
total cpu time spent up to now is 16.4 secs
Computing kpt #: 12
total cpu time spent up to now is 17.5 secs
Computing kpt #: 13
total cpu time spent up to now is 18.9 secs
Computing kpt #: 14
total cpu time spent up to now is 20.1 secs
Computing kpt #: 15
total cpu time spent up to now is 21.4 secs
Computing kpt #: 16
total cpu time spent up to now is 22.6 secs
Computing kpt #: 17
total cpu time spent up to now is 24.0 secs
Computing kpt #: 18
total cpu time spent up to now is 25.0 secs
Computing kpt #: 19
total cpu time spent up to now is 26.2 secs
Computing kpt #: 20
total cpu time spent up to now is 27.5 secs
Computing kpt #: 21
total cpu time spent up to now is 28.7 secs
Computing kpt #: 22
total cpu time spent up to now is 30.1 secs
Computing kpt #: 23
total cpu time spent up to now is 31.8 secs
Computing kpt #: 24
total cpu time spent up to now is 33.5 secs
Computing kpt #: 25
total cpu time spent up to now is 34.7 secs
Computing kpt #: 26
total cpu time spent up to now is 35.6 secs
Computing kpt #: 27
total cpu time spent up to now is 36.4 secs
Computing kpt #: 28
total cpu time spent up to now is 37.2 secs
Computing kpt #: 29
total cpu time spent up to now is 38.1 secs
Computing kpt #: 30
total cpu time spent up to now is 38.9 secs
Computing kpt #: 31
total cpu time spent up to now is 39.9 secs
Computing kpt #: 32
total cpu time spent up to now is 40.8 secs
Computing kpt #: 33
total cpu time spent up to now is 41.6 secs
Computing kpt #: 34
total cpu time spent up to now is 42.4 secs
Computing kpt #: 35
total cpu time spent up to now is 43.3 secs
Computing kpt #: 36
total cpu time spent up to now is 44.3 secs
Computing kpt #: 37
total cpu time spent up to now is 45.2 secs
Computing kpt #: 38
total cpu time spent up to now is 46.0 secs
Computing kpt #: 39
total cpu time spent up to now is 46.9 secs
Computing kpt #: 40
total cpu time spent up to now is 47.9 secs
Computing kpt #: 41
total cpu time spent up to now is 48.8 secs
Computing kpt #: 42
total cpu time spent up to now is 49.6 secs
Computing kpt #: 43
total cpu time spent up to now is 50.6 secs
Computing kpt #: 44
total cpu time spent up to now is 51.6 secs
Computing kpt #: 45
total cpu time spent up to now is 52.5 secs
Computing kpt #: 46
total cpu time spent up to now is 53.4 secs
Computing kpt #: 47
total cpu time spent up to now is 54.4 secs
Computing kpt #: 48
total cpu time spent up to now is 55.3 secs
Computing kpt #: 49
total cpu time spent up to now is 56.2 secs
Computing kpt #: 50
total cpu time spent up to now is 57.2 secs
Computing kpt #: 51
total cpu time spent up to now is 58.1 secs
Computing kpt #: 52
total cpu time spent up to now is 59.1 secs
Computing kpt #: 53
total cpu time spent up to now is 60.3 secs
Computing kpt #: 54
total cpu time spent up to now is 61.4 secs
Computing kpt #: 55
total cpu time spent up to now is 62.6 secs
Computing kpt #: 56
total cpu time spent up to now is 63.8 secs
Computing kpt #: 57
total cpu time spent up to now is 65.0 secs
Computing kpt #: 58
total cpu time spent up to now is 66.1 secs
Computing kpt #: 59
total cpu time spent up to now is 67.3 secs
Computing kpt #: 60
total cpu time spent up to now is 68.5 secs
Computing kpt #: 61
total cpu time spent up to now is 69.9 secs
Computing kpt #: 62
total cpu time spent up to now is 71.2 secs
Computing kpt #: 63
total cpu time spent up to now is 72.7 secs
Computing kpt #: 64
total cpu time spent up to now is 73.9 secs
Computing kpt #: 65
total cpu time spent up to now is 75.6 secs
Computing kpt #: 66
total cpu time spent up to now is 76.5 secs
Computing kpt #: 67
total cpu time spent up to now is 77.8 secs
Computing kpt #: 68
total cpu time spent up to now is 79.0 secs
Computing kpt #: 69
total cpu time spent up to now is 80.2 secs
Computing kpt #: 70
total cpu time spent up to now is 81.2 secs
Computing kpt #: 71
total cpu time spent up to now is 82.3 secs
Computing kpt #: 72
total cpu time spent up to now is 83.7 secs
Computing kpt #: 73
total cpu time spent up to now is 85.0 secs
Computing kpt #: 74
total cpu time spent up to now is 87.1 secs
Computing kpt #: 75
total cpu time spent up to now is 88.3 secs
Computing kpt #: 76
total cpu time spent up to now is 89.5 secs
Computing kpt #: 77
total cpu time spent up to now is 90.5 secs
Computing kpt #: 78
total cpu time spent up to now is 91.5 secs
Computing kpt #: 79
total cpu time spent up to now is 92.5 secs
Computing kpt #: 80
total cpu time spent up to now is 93.5 secs
Computing kpt #: 81
total cpu time spent up to now is 94.7 secs
Computing kpt #: 82
total cpu time spent up to now is 96.5 secs
Computing kpt #: 83
total cpu time spent up to now is 98.5 secs
Computing kpt #: 84
total cpu time spent up to now is 99.5 secs
Computing kpt #: 85
total cpu time spent up to now is 100.7 secs
Computing kpt #: 86
total cpu time spent up to now is 101.7 secs
Computing kpt #: 87
total cpu time spent up to now is 102.6 secs
Computing kpt #: 88
total cpu time spent up to now is 103.4 secs
Computing kpt #: 89
total cpu time spent up to now is 104.6 secs
Computing kpt #: 90
total cpu time spent up to now is 105.4 secs
Computing kpt #: 91
total cpu time spent up to now is 106.4 secs
Computing kpt #: 92
total cpu time spent up to now is 107.3 secs
Computing kpt #: 93
total cpu time spent up to now is 108.4 secs
Computing kpt #: 94
total cpu time spent up to now is 109.4 secs
Computing kpt #: 95
total cpu time spent up to now is 110.4 secs
Computing kpt #: 96
total cpu time spent up to now is 111.4 secs
Computing kpt #: 97
total cpu time spent up to now is 112.4 secs
Computing kpt #: 98
total cpu time spent up to now is 113.6 secs
Computing kpt #: 99
total cpu time spent up to now is 114.7 secs
Computing kpt #: 100
total cpu time spent up to now is 115.8 secs
Computing kpt #: 101
total cpu time spent up to now is 116.8 secs
Computing kpt #: 102
total cpu time spent up to now is 117.8 secs
Computing kpt #: 103
total cpu time spent up to now is 119.1 secs
Computing kpt #: 104
total cpu time spent up to now is 120.3 secs
Computing kpt #: 105
total cpu time spent up to now is 121.5 secs
Computing kpt #: 106
total cpu time spent up to now is 122.5 secs
Computing kpt #: 107
total cpu time spent up to now is 123.7 secs
Computing kpt #: 108
total cpu time spent up to now is 124.9 secs
Computing kpt #: 109
total cpu time spent up to now is 126.1 secs
Computing kpt #: 110
total cpu time spent up to now is 127.3 secs
Computing kpt #: 111
total cpu time spent up to now is 128.5 secs
Computing kpt #: 112
total cpu time spent up to now is 129.5 secs
Computing kpt #: 113
total cpu time spent up to now is 130.6 secs
Computing kpt #: 114
total cpu time spent up to now is 131.6 secs
Computing kpt #: 115
total cpu time spent up to now is 132.7 secs
Computing kpt #: 116
total cpu time spent up to now is 133.8 secs
Computing kpt #: 117
total cpu time spent up to now is 135.0 secs
Computing kpt #: 118
total cpu time spent up to now is 136.2 secs
Computing kpt #: 119
total cpu time spent up to now is 137.1 secs
Computing kpt #: 120
total cpu time spent up to now is 138.3 secs
Computing kpt #: 121
total cpu time spent up to now is 139.4 secs
Computing kpt #: 122
total cpu time spent up to now is 140.6 secs
Computing kpt #: 123
total cpu time spent up to now is 141.7 secs
Computing kpt #: 124
total cpu time spent up to now is 142.9 secs
Computing kpt #: 125
total cpu time spent up to now is 143.9 secs
Computing kpt #: 126
total cpu time spent up to now is 145.1 secs
Computing kpt #: 127
total cpu time spent up to now is 146.4 secs
Computing kpt #: 128
total cpu time spent up to now is 147.4 secs
Computing kpt #: 129
total cpu time spent up to now is 148.3 secs
Computing kpt #: 130
total cpu time spent up to now is 149.8 secs
Computing kpt #: 131
total cpu time spent up to now is 150.7 secs
Computing kpt #: 132
total cpu time spent up to now is 151.8 secs
Computing kpt #: 133
total cpu time spent up to now is 152.7 secs
Computing kpt #: 134
total cpu time spent up to now is 153.6 secs
Computing kpt #: 135
total cpu time spent up to now is 154.5 secs
Computing kpt #: 136
total cpu time spent up to now is 155.4 secs
Computing kpt #: 137
total cpu time spent up to now is 156.4 secs
Computing kpt #: 138
total cpu time spent up to now is 157.7 secs
Computing kpt #: 139
total cpu time spent up to now is 158.6 secs
Computing kpt #: 140
total cpu time spent up to now is 159.9 secs
Computing kpt #: 141
total cpu time spent up to now is 160.8 secs
Computing kpt #: 142
total cpu time spent up to now is 161.7 secs
Computing kpt #: 143
total cpu time spent up to now is 163.2 secs
Computing kpt #: 144
total cpu time spent up to now is 164.5 secs
Computing kpt #: 145
total cpu time spent up to now is 165.7 secs
Computing kpt #: 146
total cpu time spent up to now is 166.9 secs
Computing kpt #: 147
total cpu time spent up to now is 168.1 secs
Computing kpt #: 148
total cpu time spent up to now is 169.2 secs
Computing kpt #: 149
total cpu time spent up to now is 170.3 secs
Computing kpt #: 150
total cpu time spent up to now is 171.5 secs
Computing kpt #: 151
total cpu time spent up to now is 173.2 secs
Computing kpt #: 152
total cpu time spent up to now is 174.6 secs
Computing kpt #: 153
total cpu time spent up to now is 175.6 secs
Computing kpt #: 154
total cpu time spent up to now is 176.7 secs
Computing kpt #: 155
total cpu time spent up to now is 177.7 secs
Computing kpt #: 156
total cpu time spent up to now is 178.8 secs
Computing kpt #: 157
total cpu time spent up to now is 180.0 secs
Computing kpt #: 158
total cpu time spent up to now is 181.1 secs
Computing kpt #: 159
total cpu time spent up to now is 182.8 secs
Computing kpt #: 160
total cpu time spent up to now is 183.7 secs
Computing kpt #: 161
total cpu time spent up to now is 184.6 secs
Computing kpt #: 162
total cpu time spent up to now is 185.7 secs
Computing kpt #: 163
total cpu time spent up to now is 186.7 secs
Computing kpt #: 164
total cpu time spent up to now is 187.8 secs
Computing kpt #: 165
total cpu time spent up to now is 188.8 secs
Computing kpt #: 166
total cpu time spent up to now is 189.8 secs
Computing kpt #: 167
total cpu time spent up to now is 190.9 secs
Computing kpt #: 168
total cpu time spent up to now is 192.1 secs
Computing kpt #: 169
total cpu time spent up to now is 193.1 secs
Computing kpt #: 170
total cpu time spent up to now is 194.0 secs
Computing kpt #: 171
total cpu time spent up to now is 195.1 secs
Computing kpt #: 172
total cpu time spent up to now is 196.2 secs
Computing kpt #: 173
total cpu time spent up to now is 197.3 secs
Computing kpt #: 174
total cpu time spent up to now is 198.4 secs
Computing kpt #: 175
total cpu time spent up to now is 199.5 secs
Computing kpt #: 176
total cpu time spent up to now is 200.6 secs
Computing kpt #: 177
total cpu time spent up to now is 201.6 secs
Computing kpt #: 178
total cpu time spent up to now is 202.7 secs
Computing kpt #: 179
total cpu time spent up to now is 203.7 secs
Computing kpt #: 180
total cpu time spent up to now is 204.7 secs
Computing kpt #: 181
total cpu time spent up to now is 205.7 secs
Computing kpt #: 182
total cpu time spent up to now is 206.9 secs
Computing kpt #: 183
total cpu time spent up to now is 207.9 secs
Computing kpt #: 184
total cpu time spent up to now is 208.8 secs
Computing kpt #: 185
total cpu time spent up to now is 209.9 secs
Computing kpt #: 186
total cpu time spent up to now is 210.7 secs
Computing kpt #: 187
total cpu time spent up to now is 211.5 secs
Computing kpt #: 188
total cpu time spent up to now is 212.5 secs
Computing kpt #: 189
total cpu time spent up to now is 213.6 secs
Computing kpt #: 190
total cpu time spent up to now is 214.7 secs
Computing kpt #: 191
total cpu time spent up to now is 215.8 secs
Computing kpt #: 192
total cpu time spent up to now is 217.4 secs
Computing kpt #: 193
total cpu time spent up to now is 219.0 secs
Computing kpt #: 194
total cpu time spent up to now is 220.6 secs
Computing kpt #: 195
total cpu time spent up to now is 222.1 secs
Computing kpt #: 196
total cpu time spent up to now is 223.3 secs
Computing kpt #: 197
total cpu time spent up to now is 224.5 secs
Computing kpt #: 198
total cpu time spent up to now is 225.6 secs
Computing kpt #: 199
total cpu time spent up to now is 226.7 secs
Computing kpt #: 200
total cpu time spent up to now is 228.8 secs
Computing kpt #: 201
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 230.9 secs
Computing kpt #: 202
total cpu time spent up to now is 232.0 secs
Computing kpt #: 203
total cpu time spent up to now is 232.9 secs
Computing kpt #: 204
total cpu time spent up to now is 233.9 secs
Computing kpt #: 205
total cpu time spent up to now is 234.9 secs
Computing kpt #: 206
total cpu time spent up to now is 236.1 secs
Computing kpt #: 207
total cpu time spent up to now is 237.0 secs
Computing kpt #: 208
total cpu time spent up to now is 238.0 secs
Computing kpt #: 209
total cpu time spent up to now is 238.9 secs
Computing kpt #: 210
total cpu time spent up to now is 239.8 secs
Computing kpt #: 211
total cpu time spent up to now is 240.7 secs
Computing kpt #: 212
total cpu time spent up to now is 241.6 secs
Computing kpt #: 213
total cpu time spent up to now is 242.5 secs
Computing kpt #: 214
total cpu time spent up to now is 243.5 secs
Computing kpt #: 215
total cpu time spent up to now is 244.4 secs
Computing kpt #: 216
total cpu time spent up to now is 245.3 secs
Computing kpt #: 217
total cpu time spent up to now is 246.3 secs
Computing kpt #: 218
total cpu time spent up to now is 247.1 secs
Computing kpt #: 219
total cpu time spent up to now is 248.0 secs
Computing kpt #: 220
total cpu time spent up to now is 248.9 secs
Computing kpt #: 221
total cpu time spent up to now is 249.8 secs
Computing kpt #: 222
total cpu time spent up to now is 250.8 secs
Computing kpt #: 223
total cpu time spent up to now is 251.7 secs
Computing kpt #: 224
total cpu time spent up to now is 252.6 secs
Computing kpt #: 225
total cpu time spent up to now is 253.5 secs
Computing kpt #: 226
total cpu time spent up to now is 254.5 secs
Computing kpt #: 227
total cpu time spent up to now is 255.5 secs
Computing kpt #: 228
total cpu time spent up to now is 256.5 secs
Computing kpt #: 229
total cpu time spent up to now is 257.3 secs
Computing kpt #: 230
total cpu time spent up to now is 258.3 secs
Computing kpt #: 231
total cpu time spent up to now is 259.2 secs
Computing kpt #: 232
total cpu time spent up to now is 260.1 secs
Computing kpt #: 233
total cpu time spent up to now is 261.0 secs
Computing kpt #: 234
total cpu time spent up to now is 261.9 secs
Computing kpt #: 235
total cpu time spent up to now is 262.9 secs
Computing kpt #: 236
total cpu time spent up to now is 263.8 secs
Computing kpt #: 237
total cpu time spent up to now is 264.9 secs
Computing kpt #: 238
total cpu time spent up to now is 265.9 secs
Computing kpt #: 239
total cpu time spent up to now is 267.3 secs
Computing kpt #: 240
total cpu time spent up to now is 268.2 secs
Computing kpt #: 241
total cpu time spent up to now is 269.4 secs
Computing kpt #: 242
total cpu time spent up to now is 270.8 secs
Computing kpt #: 243
total cpu time spent up to now is 271.8 secs
Computing kpt #: 244
total cpu time spent up to now is 273.0 secs
Computing kpt #: 245
total cpu time spent up to now is 274.5 secs
Computing kpt #: 246
total cpu time spent up to now is 276.0 secs
Computing kpt #: 247
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 278.1 secs
Computing kpt #: 248
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 280.2 secs
Computing kpt #: 249
total cpu time spent up to now is 281.3 secs
Computing kpt #: 250
total cpu time spent up to now is 283.3 secs
Computing kpt #: 251
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 285.3 secs
Computing kpt #: 252
total cpu time spent up to now is 287.1 secs
Computing kpt #: 253
total cpu time spent up to now is 288.7 secs
Computing kpt #: 254
total cpu time spent up to now is 290.1 secs
Computing kpt #: 255
total cpu time spent up to now is 291.3 secs
Computing kpt #: 256
total cpu time spent up to now is 292.6 secs
Computing kpt #: 257
total cpu time spent up to now is 293.8 secs
Computing kpt #: 258
total cpu time spent up to now is 294.9 secs
Computing kpt #: 259
total cpu time spent up to now is 296.1 secs
Computing kpt #: 260
total cpu time spent up to now is 297.3 secs
Computing kpt #: 261
total cpu time spent up to now is 298.8 secs
Computing kpt #: 262
total cpu time spent up to now is 300.0 secs
Computing kpt #: 263
total cpu time spent up to now is 301.2 secs
Computing kpt #: 264
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 303.3 secs
Computing kpt #: 265
total cpu time spent up to now is 304.1 secs
Computing kpt #: 266
total cpu time spent up to now is 305.0 secs
Computing kpt #: 267
total cpu time spent up to now is 306.0 secs
Computing kpt #: 268
total cpu time spent up to now is 306.8 secs
Computing kpt #: 269
total cpu time spent up to now is 307.6 secs
Computing kpt #: 270
total cpu time spent up to now is 308.4 secs
Computing kpt #: 271
total cpu time spent up to now is 309.2 secs
Computing kpt #: 272
total cpu time spent up to now is 310.0 secs
Computing kpt #: 273
total cpu time spent up to now is 310.8 secs
Computing kpt #: 274
total cpu time spent up to now is 311.6 secs
Computing kpt #: 275
total cpu time spent up to now is 312.5 secs
Computing kpt #: 276
total cpu time spent up to now is 313.4 secs
Computing kpt #: 277
total cpu time spent up to now is 314.3 secs
Computing kpt #: 278
total cpu time spent up to now is 315.2 secs
Computing kpt #: 279
total cpu time spent up to now is 316.1 secs
Computing kpt #: 280
total cpu time spent up to now is 317.0 secs
Computing kpt #: 281
total cpu time spent up to now is 317.9 secs
Computing kpt #: 282
total cpu time spent up to now is 318.9 secs
Computing kpt #: 283
total cpu time spent up to now is 320.1 secs
Computing kpt #: 284
total cpu time spent up to now is 321.4 secs
Computing kpt #: 285
total cpu time spent up to now is 322.7 secs
Computing kpt #: 286
total cpu time spent up to now is 324.0 secs
Computing kpt #: 287
total cpu time spent up to now is 325.2 secs
Computing kpt #: 288
total cpu time spent up to now is 326.2 secs
Computing kpt #: 289
total cpu time spent up to now is 327.2 secs
Computing kpt #: 290
total cpu time spent up to now is 328.1 secs
Computing kpt #: 291
total cpu time spent up to now is 329.1 secs
Computing kpt #: 292
total cpu time spent up to now is 329.9 secs
Computing kpt #: 293
total cpu time spent up to now is 330.8 secs
Computing kpt #: 294
total cpu time spent up to now is 331.7 secs
Computing kpt #: 295
total cpu time spent up to now is 332.5 secs
Computing kpt #: 296
total cpu time spent up to now is 333.4 secs
Computing kpt #: 297
total cpu time spent up to now is 334.4 secs
Computing kpt #: 298
total cpu time spent up to now is 335.3 secs
Computing kpt #: 299
total cpu time spent up to now is 336.0 secs
ethr = 2.08E-08, avg # of iterations = 40.8
total cpu time spent up to now is 336.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5483 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7977 -13.7977 -13.7868 -13.7868
-11.7808 -11.7808 -11.7196 -11.7196 -10.8720 -10.8720 -10.6609 -10.6609
-10.5509 -10.5509 -10.5486 -10.5486 -9.8175 -9.8175 -9.4504 -9.4504
-1.2024 -1.2024 -1.0133 -1.0133 1.3096 1.3096 1.7985 1.7985
1.8526 1.8526 1.9666 1.9666 2.1666 2.1666 2.2125 2.2125
2.4270 2.4270 2.4910 2.4910 2.8013 2.8013 2.8601 2.8601
7.9066 7.9066 8.8940 8.8940 10.5122 10.5122 10.5895 10.5895
10.6622 10.6629
k = 0.0114 0.0066-0.0000 ( 5465 PWs) bands (ev):
-28.9757 -28.9757 -28.9748 -28.9748 -13.7996 -13.7962 -13.7888 -13.7855
-11.7917 -11.7699 -11.7277 -11.7114 -10.8843 -10.8600 -10.6693 -10.6530
-10.5506 -10.5506 -10.5482 -10.5482 -9.8188 -9.8163 -9.4534 -9.4475
-1.2022 -1.2015 -1.0135 -1.0133 1.3084 1.3087 1.7959 1.8006
1.8523 1.8524 1.9645 1.9691 2.1657 2.1686 2.2133 2.2133
2.4254 2.4280 2.4904 2.4904 2.8001 2.8009 2.8592 2.8593
7.9102 7.9105 8.8951 8.8960 10.4965 10.5027 10.5896 10.5916
10.6617 10.6638
k = 0.0227 0.0131-0.0000 ( 5465 PWs) bands (ev):
-28.9756 -28.9756 -28.9747 -28.9747 -13.8021 -13.7952 -13.7913 -13.7847
-11.8025 -11.7591 -11.7357 -11.7032 -10.8968 -10.8484 -10.6782 -10.6461
-10.5498 -10.5496 -10.5472 -10.5466 -9.8201 -9.8150 -9.4564 -9.4447
-1.2011 -1.1997 -1.0138 -1.0134 1.3050 1.3057 1.7929 1.8024
1.8513 1.8516 1.9628 1.9719 2.1659 2.1716 2.2153 2.2155
2.4231 2.4283 2.4887 2.4887 2.7972 2.7988 2.8568 2.8568
7.9213 7.9219 8.8993 8.9011 10.4646 10.4729 10.5918 10.5958
10.6609 10.6639
k = 0.0341 0.0197-0.0000 ( 5461 PWs) bands (ev):
-28.9754 -28.9754 -28.9746 -28.9746 -13.8050 -13.7947 -13.7944 -13.7846
-11.8133 -11.7485 -11.7435 -11.6950 -10.9093 -10.8373 -10.6872 -10.6403
-10.5487 -10.5480 -10.5456 -10.5438 -9.8214 -9.8138 -9.4595 -9.4421
-1.1990 -1.1970 -1.0143 -1.0138 1.2997 1.3007 1.7893 1.8038
1.8495 1.8507 1.9614 1.9746 2.1672 2.1753 2.2185 2.2190
2.4204 2.4282 2.4859 2.4860 2.7919 2.7945 2.8533 2.8535
7.9399 7.9407 8.9065 8.9092 10.4249 10.4330 10.5963 10.6020
10.6601 10.6643
k = 0.0455 0.0262-0.0000 ( 5467 PWs) bands (ev):
-28.9752 -28.9752 -28.9744 -28.9744 -13.8083 -13.7980 -13.7947 -13.7852
-11.8238 -11.7511 -11.7380 -11.6869 -10.9216 -10.8269 -10.6962 -10.6358
-10.5472 -10.5456 -10.5438 -10.5396 -9.8227 -9.8126 -9.4627 -9.4395
-1.1960 -1.1933 -1.0150 -1.0142 1.2927 1.2939 1.7852 1.8048
1.8471 1.8497 1.9604 1.9773 2.1692 2.1795 2.2224 2.2236
2.4174 2.4278 2.4824 2.4824 2.7836 2.7873 2.8497 2.8502
7.9656 7.9666 8.9166 8.9202 10.3814 10.3884 10.6029 10.6102
10.6598 10.6650
k = 0.0568 0.0328-0.0000 ( 5473 PWs) bands (ev):
-28.9750 -28.9750 -28.9742 -28.9742 -13.8121 -13.8022 -13.7953 -13.7863
-11.8341 -11.7584 -11.7279 -11.6790 -10.9338 -10.8173 -10.7050 -10.6327
-10.5454 -10.5424 -10.5417 -10.5340 -9.8239 -9.8114 -9.4659 -9.4370
-1.1921 -1.1887 -1.0159 -1.0149 1.2841 1.2854 1.7806 1.8054
1.8441 1.8487 1.9595 1.9797 2.1716 2.1837 2.2268 2.2287
2.4146 2.4272 2.4783 2.4785 2.7720 2.7767 2.8468 2.8475
7.9983 7.9996 8.9294 8.9339 10.3358 10.3412 10.6117 10.6201
10.6602 10.6662
k = 0.0682 0.0394-0.0000 ( 5469 PWs) bands (ev):
-28.9747 -28.9747 -28.9739 -28.9739 -13.8162 -13.8069 -13.7963 -13.7880
-11.8441 -11.7654 -11.7180 -11.6713 -10.9456 -10.8086 -10.7135 -10.6308
-10.5434 -10.5394 -10.5385 -10.5273 -9.8250 -9.8102 -9.4692 -9.4345
-1.1872 -1.1832 -1.0169 -1.0157 1.2742 1.2755 1.7754 1.8056
1.8409 1.8479 1.9586 1.9816 2.1738 2.1876 2.2312 2.2337
2.4121 2.4264 2.4742 2.4748 2.7569 2.7626 2.8450 2.8458
8.0377 8.0393 8.9447 8.9500 10.2890 10.2929 10.6225 10.6314
10.6615 10.6683
k = 0.0795 0.0459-0.0000 ( 5467 PWs) bands (ev):
-28.9743 -28.9743 -28.9735 -28.9735 -13.8208 -13.8120 -13.7979 -13.7904
-11.8536 -11.7720 -11.7086 -11.6638 -10.9570 -10.8008 -10.7217 -10.6300
-10.5413 -10.5371 -10.5337 -10.5197 -9.8260 -9.8088 -9.4725 -9.4322
-1.1815 -1.1769 -1.0180 -1.0167 1.2633 1.2645 1.7698 1.8050
1.8377 1.8474 1.9574 1.9829 2.1752 2.1905 2.2353 2.2380
2.4103 2.4252 2.4707 2.4722 2.7389 2.7457 2.8443 2.8451
8.0835 8.0853 8.9622 8.9683 10.2417 10.2441 10.6352 10.6435
10.6638 10.6713
k = 0.0909 0.0525-0.0000 ( 5475 PWs) bands (ev):
-28.9739 -28.9739 -28.9731 -28.9731 -13.8257 -13.8176 -13.8000 -13.7933
-11.8628 -11.7782 -11.6995 -11.6567 -10.9679 -10.7939 -10.7293 -10.6301
-10.5391 -10.5349 -10.5283 -10.5115 -9.8267 -9.8075 -9.4758 -9.4300
-1.1749 -1.1698 -1.0194 -1.0178 1.2517 1.2527 1.7637 1.8036
1.8349 1.8470 1.9559 1.9835 2.1750 2.1914 2.2391 2.2415
2.4091 2.4232 2.4686 2.4716 2.7188 2.7266 2.8443 2.8452
8.1353 8.1373 8.9815 8.9883 10.1946 10.1955 10.6495 10.6555
10.6673 10.6757
k = 0.1023 0.0590-0.0000 ( 5467 PWs) bands (ev):
-28.9735 -28.9735 -28.9727 -28.9727 -13.8310 -13.8236 -13.8026 -13.7968
-11.8714 -11.7840 -11.6909 -11.6498 -10.9782 -10.7880 -10.7365 -10.6307
-10.5370 -10.5327 -10.5222 -10.5030 -9.8272 -9.8059 -9.4791 -9.4278
-1.1676 -1.1619 -1.0208 -1.0190 1.2396 1.2403 1.7573 1.8011
1.8326 1.8470 1.9537 1.9831 2.1723 2.1894 2.2426 2.2443
2.4080 2.4200 2.4688 2.4737 2.6974 2.7064 2.8450 2.8458
8.1926 8.1949 9.0024 9.0099 10.1478 10.1482 10.6646 10.6659
10.6721 10.6819
k = 0.1136 0.0656-0.0000 ( 5463 PWs) bands (ev):
-28.9730 -28.9730 -28.9722 -28.9722 -13.8365 -13.8300 -13.8057 -13.8009
-11.8795 -11.7893 -11.6828 -11.6434 -10.9879 -10.7830 -10.7431 -10.6319
-10.5349 -10.5306 -10.5156 -10.4945 -9.8273 -9.8043 -9.4823 -9.4258
-1.1595 -1.1533 -1.0224 -1.0204 1.2274 1.2275 1.7505 1.7975
1.8311 1.8471 1.9507 1.9816 2.1664 2.1834 2.2458 2.2470
2.4065 2.4159 2.4715 2.4782 2.6760 2.6862 2.8461 2.8469
8.2551 8.2575 9.0242 9.0323 10.1016 10.1031 10.6738 10.6766
10.6815 10.6899
k = 0.1250 0.0722-0.0000 ( 5463 PWs) bands (ev):
-28.9724 -28.9724 -28.9716 -28.9716 -13.8424 -13.8368 -13.8093 -13.8055
-11.8870 -11.7941 -11.6753 -11.6374 -10.9968 -10.7789 -10.7491 -10.6334
-10.5330 -10.5287 -10.5086 -10.4861 -9.8270 -9.8024 -9.4855 -9.4238
-1.1507 -1.1441 -1.0242 -1.0220 1.2147 1.2151 1.7433 1.7929
1.8302 1.8475 1.9467 1.9788 2.1569 2.1732 2.2488 2.2496
2.4047 2.4117 2.4759 2.4837 2.6560 2.6673 2.8474 2.8482
8.3222 8.3248 9.0466 9.0551 10.0574 10.0599 10.6796 10.6841
10.6956 10.6987
k = 0.1364 0.0787-0.0000 ( 5467 PWs) bands (ev):
-28.9718 -28.9718 -28.9711 -28.9711 -13.8486 -13.8438 -13.8135 -13.8106
-11.8938 -11.7984 -11.6683 -11.6319 -11.0050 -10.7756 -10.7544 -10.6351
-10.5313 -10.5269 -10.5015 -10.4782 -9.8262 -9.8003 -9.4887 -9.4219
-1.1413 -1.1343 -1.0261 -1.0236 1.2020 1.2031 1.7358 1.7874
1.8298 1.8480 1.9417 1.9746 2.1438 2.1591 2.2511 2.2516
2.4033 2.4083 2.4801 2.4886 2.6392 2.6514 2.8490 2.8497
8.3935 8.3963 9.0689 9.0778 10.0159 10.0190 10.6840 10.6923
10.7078 10.7080
k = 0.1477 0.0853-0.0000 ( 5465 PWs) bands (ev):
-28.9712 -28.9712 -28.9705 -28.9705 -13.8550 -13.8511 -13.8182 -13.8161
-11.8999 -11.8021 -11.6619 -11.6269 -11.0123 -10.7729 -10.7590 -10.6370
-10.5299 -10.5252 -10.4945 -10.4707 -9.8248 -9.7979 -9.4917 -9.4201
-1.1313 -1.1240 -1.0280 -1.0254 1.1896 1.1915 1.7280 1.7813
1.8295 1.8486 1.9355 1.9687 2.1275 2.1416 2.2521 2.2525
2.4031 2.4066 2.4817 2.4905 2.6279 2.6407 2.8506 2.8513
8.4684 8.4714 9.0905 9.0996 9.9777 9.9813 10.6873 10.7017
10.7175 10.7175
k = 0.1591 0.0919-0.0000 ( 5447 PWs) bands (ev):
-28.9706 -28.9706 -28.9698 -28.9698 -13.8616 -13.8586 -13.8235 -13.8219
-11.9053 -11.8053 -11.6560 -11.6224 -11.0188 -10.7709 -10.7630 -10.6389
-10.5289 -10.5238 -10.4877 -10.4639 -9.8227 -9.7951 -9.4946 -9.4184
-1.1208 -1.1133 -1.0301 -1.0272 1.1777 1.1805 1.7198 1.7745
1.8292 1.8493 1.9281 1.9609 2.1083 2.1216 2.2513 2.2515
2.4049 2.4073 2.4785 2.4880 2.6240 2.6367 2.8524 2.8530
8.5464 8.5495 9.1107 9.1198 9.9435 9.9473 10.6898 10.7121
10.7241 10.7281
k = 0.1705 0.0984-0.0000 ( 5451 PWs) bands (ev):
-28.9699 -28.9699 -28.9692 -28.9691 -13.8685 -13.8663 -13.8296 -13.8277
-11.9099 -11.8080 -11.6508 -11.6184 -11.0243 -10.7693 -10.7662 -10.6409
-10.5283 -10.5225 -10.4815 -10.4577 -9.8199 -9.7921 -9.4974 -9.4168
-1.1100 -1.1023 -1.0322 -1.0290 1.1664 1.1702 1.7111 1.7673
1.8287 1.8501 1.9195 1.9512 2.0866 2.0994 2.2483 2.2483
2.4092 2.4107 2.4704 2.4810 2.6274 2.6393 2.8542 2.8548
8.6270 8.6302 9.1289 9.1378 9.9141 9.9177 10.6917 10.7236
10.7284 10.7397
k = 0.1818 0.1050-0.0000 ( 5441 PWs) bands (ev):
-28.9692 -28.9692 -28.9684 -28.9684 -13.8757 -13.8740 -13.8364 -13.8337
-11.9138 -11.8100 -11.6461 -11.6150 -11.0290 -10.7687 -10.7682 -10.6429
-10.5283 -10.5213 -10.4761 -10.4521 -9.8163 -9.7886 -9.5001 -9.4153
-1.0990 -1.0911 -1.0343 -1.0308 1.1558 1.1607 1.7019 1.7594
1.8276 1.8509 1.9099 1.9393 2.0630 2.0758 2.2428 2.2431
2.4160 2.4169 2.4591 2.4707 2.6364 2.6473 2.8560 2.8566
8.7096 8.7129 9.1442 9.1527 9.8899 9.8931 10.6932 10.7307
10.7367 10.7525
k = 0.1932 0.1115-0.0000 ( 5435 PWs) bands (ev):
-28.9684 -28.9684 -28.9677 -28.9677 -13.8832 -13.8816 -13.8436 -13.8399
-11.9168 -11.8115 -11.6421 -11.6123 -11.0327 -10.7704 -10.7674 -10.6448
-10.5288 -10.5205 -10.4718 -10.4470 -9.8119 -9.7848 -9.5025 -9.4138
-1.0880 -1.0801 -1.0361 -1.0323 1.1461 1.1521 1.6921 1.7507
1.8257 1.8517 1.8996 1.9251 2.0379 2.0512 2.2354 2.2360
2.4249 2.4256 2.4468 2.4591 2.6490 2.6587 2.8578 2.8584
8.7935 8.7968 9.1562 9.1641 9.8715 9.8739 10.6945 10.7323
10.7503 10.7663
k = 0.2045 0.1181-0.0000 ( 5437 PWs) bands (ev):
-28.9677 -28.9677 -28.9670 -28.9670 -13.8911 -13.8890 -13.8511 -13.8465
-11.9190 -11.8124 -11.6387 -11.6101 -11.0354 -10.7715 -10.7669 -10.6467
-10.5298 -10.5199 -10.4688 -10.4425 -9.8066 -9.7806 -9.5048 -9.4125
-1.0772 -1.0695 -1.0375 -1.0333 1.1372 1.1445 1.6815 1.7412
1.8223 1.8525 1.8891 1.9088 2.0120 2.0261 2.2265 2.2273
2.4314 2.4364 2.4393 2.4477 2.6633 2.6719 2.8596 2.8602
8.8781 8.8813 9.1646 9.1716 9.8591 9.8605 10.6955 10.7328
10.7651 10.7812
k = 0.2159 0.1247-0.0000 ( 5443 PWs) bands (ev):
-28.9669 -28.9669 -28.9662 -28.9662 -13.8992 -13.8963 -13.8589 -13.8533
-11.9204 -11.8127 -11.6359 -11.6085 -11.0371 -10.7718 -10.7665 -10.6485
-10.5313 -10.5196 -10.4674 -10.4384 -9.8005 -9.7759 -9.5069 -9.4114
-1.0677 -1.0605 -1.0377 -1.0327 1.1293 1.1380 1.6700 1.7305
1.8169 1.8532 1.8791 1.8904 1.9857 2.0011 2.2164 2.2174
2.4224 2.4370 2.4492 2.4501 2.6784 2.6859 2.8614 2.8620
8.9623 8.9653 9.1695 9.1757 9.8526 9.8528 10.6963 10.7326
10.7809 10.7971
k = 0.2273 0.1312-0.0000 ( 5431 PWs) bands (ev):
-28.9661 -28.9661 -28.9655 -28.9655 -13.9073 -13.9036 -13.8669 -13.8604
-11.9210 -11.8125 -11.6337 -11.6075 -11.0379 -10.7713 -10.7663 -10.6501
-10.5333 -10.5196 -10.4676 -10.4348 -9.7934 -9.7708 -9.5088 -9.4103
-1.0610 -1.0548 -1.0350 -1.0288 1.1224 1.1325 1.6573 1.7183
1.8088 1.8539 1.8700 1.8702 1.9600 1.9765 2.2055 2.2067
2.4134 2.4282 2.4631 2.4640 2.6934 2.7000 2.8632 2.8638
9.0439 9.0461 9.1727 9.1784 9.8505 9.8516 10.6968 10.7317
10.7976 10.8138
k = 0.2386 0.1378-0.0000 ( 5439 PWs) bands (ev):
-28.9653 -28.9653 -28.9647 -28.9647 -13.9154 -13.9109 -13.8751 -13.8678
-11.9208 -11.8118 -11.6321 -11.6072 -11.0377 -10.7702 -10.7662 -10.6517
-10.5359 -10.5200 -10.4695 -10.4317 -9.7856 -9.7652 -9.5105 -9.4095
-1.0585 -1.0532 -1.0281 -1.0210 1.1165 1.1282 1.6434 1.7043
1.7978 1.8480 1.8544 1.8626 1.9359 1.9530 2.1941 2.1953
2.4063 2.4212 2.4780 2.4790 2.7080 2.7137 2.8649 2.8655
9.1125 9.1127 9.1843 9.1908 9.8529 9.8555 10.6970 10.7302
10.8150 10.8312
k = 0.2500 0.1443-0.0000 ( 5429 PWs) bands (ev):
-28.9645 -28.9645 -28.9639 -28.9639 -13.9234 -13.9181 -13.8834 -13.8753
-11.9197 -11.8105 -11.6311 -11.6074 -11.0365 -10.7684 -10.7661 -10.6531
-10.5389 -10.5207 -10.4728 -10.4293 -9.7769 -9.7593 -9.5120 -9.4088
-1.0588 -1.0539 -1.0185 -1.0110 1.1117 1.1249 1.6279 1.6884
1.7841 1.8245 1.8548 1.8555 1.9145 1.9309 2.1824 2.1837
2.4013 2.4161 2.4937 2.4947 2.7217 2.7266 2.8666 2.8671
9.1349 9.1356 9.2368 9.2430 9.8593 9.8631 10.6968 10.7282
10.8326 10.8484
k = 0.2614 0.1509-0.0000 ( 5433 PWs) bands (ev):
-28.9637 -28.9637 -28.9631 -28.9631 -13.9314 -13.9252 -13.8918 -13.8829
-11.9179 -11.8087 -11.6307 -11.6081 -11.0344 -10.7660 -10.7660 -10.6545
-10.5425 -10.5218 -10.4777 -10.4276 -9.7675 -9.7529 -9.5133 -9.4083
-1.0605 -1.0556 -1.0077 -1.0002 1.1079 1.1228 1.6109 1.6703
1.7679 1.8000 1.8477 1.8550 1.8975 1.9106 2.1707 2.1719
2.3982 2.4128 2.5099 2.5110 2.7344 2.7385 2.8682 2.8687
9.1304 9.1313 9.3121 9.3173 9.8685 9.8735 10.6963 10.7257
10.8437 10.8516
k = 0.2727 0.1575-0.0000 ( 5447 PWs) bands (ev):
-28.9629 -28.9629 -28.9623 -28.9623 -13.9391 -13.9323 -13.9002 -13.8907
-11.9152 -11.8064 -11.6308 -11.6095 -11.0313 -10.7658 -10.7629 -10.6557
-10.5464 -10.5232 -10.4838 -10.4268 -9.7575 -9.7462 -9.5144 -9.4080
-1.0628 -1.0579 -0.9966 -0.9893 1.1052 1.1218 1.5923 1.6502
1.7496 1.7747 1.8387 1.8549 1.8855 1.8924 2.1589 2.1601
2.3970 2.4114 2.5265 2.5276 2.7459 2.7492 2.8697 2.8703
9.1191 9.1204 9.3896 9.3941 9.8795 9.8856 10.6954 10.7228
10.8253 10.8281
k = 0.2841 0.1640-0.0000 ( 5441 PWs) bands (ev):
-28.9621 -28.9621 -28.9616 -28.9616 -13.9467 -13.9391 -13.9086 -13.8985
-11.9119 -11.8036 -11.6316 -11.6113 -11.0272 -10.7656 -10.7592 -10.6568
-10.5508 -10.5250 -10.4912 -10.4268 -9.7468 -9.7391 -9.5153 -9.4080
-1.0653 -1.0604 -0.9855 -0.9784 1.1034 1.1218 1.5723 1.6284
1.7292 1.7490 1.8290 1.8545 1.8766 1.8780 2.1474 2.1484
2.3975 2.4117 2.5432 2.5444 2.7560 2.7586 2.8711 2.8717
9.1050 9.1068 9.4656 9.4694 9.8914 9.8985 10.6944 10.7198
10.8027 10.8051
k = 0.2955 0.1706-0.0000 ( 5441 PWs) bands (ev):
-28.9613 -28.9613 -28.9608 -28.9608 -13.9540 -13.9458 -13.9170 -13.9063
-11.9078 -11.8005 -11.6329 -11.6137 -11.0222 -10.7652 -10.7549 -10.6578
-10.5555 -10.5271 -10.4997 -10.4276 -9.7358 -9.7318 -9.5160 -9.4082
-1.0679 -1.0630 -0.9746 -0.9677 1.1027 1.1229 1.5509 1.6053
1.7073 1.7232 1.8199 1.8526 1.8641 1.8733 2.1361 2.1370
2.3997 2.4135 2.5601 2.5613 2.7646 2.7666 2.8725 2.8731
9.0894 9.0916 9.5388 9.5419 9.9034 9.9115 10.6934 10.7168
10.7832 10.7856
k = 0.3068 0.1771-0.0000 ( 5433 PWs) bands (ev):
-28.9606 -28.9606 -28.9601 -28.9601 -13.9611 -13.9523 -13.9253 -13.9141
-11.9030 -11.7968 -11.6349 -11.6164 -11.0163 -10.7647 -10.7501 -10.6587
-10.5605 -10.5296 -10.5091 -10.4294 -9.7243 -9.7241 -9.5166 -9.4088
-1.0706 -1.0656 -0.9639 -0.9574 1.1029 1.1249 1.5286 1.5814
1.6844 1.6975 1.8119 1.8460 1.8581 1.8702 2.1252 2.1259
2.4033 2.4168 2.5769 2.5781 2.7718 2.7731 2.8737 2.8743
9.0731 9.0756 9.6085 9.6106 9.9150 9.9240 10.6925 10.7140
10.7677 10.7702
k = 0.3182 0.1837-0.0000 ( 5441 PWs) bands (ev):
-28.9598 -28.9598 -28.9593 -28.9593 -13.9679 -13.9586 -13.9334 -13.9218
-11.8975 -11.7928 -11.6376 -11.6196 -11.0095 -10.7640 -10.7449 -10.6596
-10.5658 -10.5323 -10.5193 -10.4320 -9.7163 -9.7126 -9.5170 -9.4096
-1.0733 -1.0683 -0.9537 -0.9476 1.1040 1.1279 1.5057 1.5571
1.6609 1.6720 1.8053 1.8368 1.8564 1.8679 2.1146 2.1152
2.4082 2.4214 2.5935 2.5947 2.7775 2.7782 2.8747 2.8753
9.0564 9.0592 9.6742 9.6750 9.9259 9.9360 10.6918 10.7116
10.7561 10.7590
k = 0.3295 0.1903-0.0000 ( 5443 PWs) bands (ev):
-28.9591 -28.9591 -28.9586 -28.9586 -13.9743 -13.9645 -13.9413 -13.9293
-11.8914 -11.7885 -11.6409 -11.6230 -11.0018 -10.7631 -10.7393 -10.6606
-10.5711 -10.5354 -10.5301 -10.4355 -9.7082 -9.7007 -9.5173 -9.4108
-1.0759 -1.0710 -0.9440 -0.9382 1.1059 1.1318 1.4824 1.5329
1.6374 1.6470 1.7998 1.8283 1.8554 1.8661 2.1046 2.1049
2.4143 2.4272 2.6098 2.6111 2.7817 2.7819 2.8756 2.8762
9.0398 9.0426 9.7341 9.7352 9.9364 9.9477 10.6914 10.7096
10.7483 10.7518
k = 0.3409 0.1968-0.0000 ( 5439 PWs) bands (ev):
-28.9584 -28.9584 -28.9580 -28.9580 -13.9804 -13.9702 -13.9490 -13.9367
-11.8848 -11.7838 -11.6448 -11.6268 -10.9933 -10.7621 -10.7334 -10.6617
-10.5765 -10.5414 -10.5387 -10.4399 -9.7001 -9.6889 -9.5174 -9.4124
-1.0784 -1.0736 -0.9348 -0.9294 1.1087 1.1366 1.4593 1.5091
1.6141 1.6225 1.7954 1.8210 1.8546 1.8645 2.0950 2.0952
2.4214 2.4340 2.6258 2.6272 2.7841 2.7844 2.8763 2.8769
9.0233 9.0261 9.7872 9.7906 9.9470 9.9599 10.6913 10.7080
10.7445 10.7485
k = 0.3523 0.2034-0.0000 ( 5439 PWs) bands (ev):
-28.9577 -28.9577 -28.9573 -28.9573 -13.9861 -13.9755 -13.9564 -13.9439
-11.8776 -11.7787 -11.6495 -11.6307 -10.9840 -10.7609 -10.7273 -10.6631
-10.5818 -10.5527 -10.5422 -10.4450 -9.6919 -9.6771 -9.5174 -9.4143
-1.0809 -1.0761 -0.9261 -0.9212 1.1122 1.1421 1.4365 1.4860
1.5912 1.5988 1.7919 1.8147 1.8538 1.8630 2.0860 2.0860
2.4294 2.4417 2.6413 2.6427 2.7850 2.7857 2.8768 2.8775
9.0071 9.0099 9.8328 9.8389 9.9592 9.9738 10.6911 10.7064
10.7445 10.7492
k = 0.3636 0.2099-0.0000 ( 5439 PWs) bands (ev):
-28.9571 -28.9571 -28.9567 -28.9567 -13.9914 -13.9805 -13.9635 -13.9509
-11.8699 -11.7735 -11.6548 -11.6349 -10.9739 -10.7595 -10.7212 -10.6651
-10.5868 -10.5639 -10.5460 -10.4509 -9.6837 -9.6656 -9.5172 -9.4166
-1.0832 -1.0786 -0.9180 -0.9135 1.1165 1.1482 1.4144 1.4639
1.5689 1.5759 1.7890 1.8094 1.8530 1.8616 2.0775 2.0776
2.4383 2.4502 2.6563 2.6578 2.7845 2.7857 2.8770 2.8777
8.9915 8.9942 9.8696 9.8779 9.9751 9.9910 10.6906 10.7045
10.7485 10.7540
k = 0.3750 0.2165-0.0000 ( 5435 PWs) bands (ev):
-28.9565 -28.9565 -28.9561 -28.9561 -13.9962 -13.9850 -13.9703 -13.9575
-11.8617 -11.7679 -11.6608 -11.6392 -10.9631 -10.7579 -10.7152 -10.6678
-10.5913 -10.5745 -10.5499 -10.4574 -9.6755 -9.6545 -9.5167 -9.4193
-1.0853 -1.0810 -0.9106 -0.9065 1.1213 1.1550 1.3933 1.4429
1.5475 1.5540 1.7867 1.8049 1.8521 1.8602 2.0696 2.0699
2.4478 2.4594 2.6706 2.6722 2.7829 2.7843 2.8771 2.8778
8.9764 8.9790 9.8968 9.9058 9.9969 10.0122 10.6893 10.7018
10.7566 10.7630
k = 0.3864 0.2231-0.0000 ( 5447 PWs) bands (ev):
-28.9560 -28.9560 -28.9556 -28.9556 -14.0006 -13.9892 -13.9768 -13.9639
-11.8532 -11.7622 -11.6674 -11.6438 -10.9516 -10.7563 -10.7095 -10.6717
-10.5952 -10.5840 -10.5540 -10.4647 -9.6675 -9.6441 -9.5160 -9.4225
-1.0873 -1.0832 -0.9037 -0.9000 1.1267 1.1623 1.3732 1.4232
1.5269 1.5332 1.7849 1.8010 1.8513 1.8588 2.0624 2.0627
2.4578 2.4690 2.6842 2.6860 2.7802 2.7818 2.8769 2.8776
8.9621 8.9645 9.9161 9.9239 10.0233 10.0361 10.6869 10.6981
10.7692 10.7764
k = 0.3977 0.2296-0.0000 ( 5449 PWs) bands (ev):
-28.9555 -28.9555 -28.9551 -28.9551 -14.0045 -13.9928 -13.9828 -13.9699
-11.8442 -11.7563 -11.6745 -11.6485 -10.9394 -10.7546 -10.7045 -10.6771
-10.5980 -10.5919 -10.5582 -10.4724 -9.6596 -9.6344 -9.5149 -9.4261
-1.0892 -1.0853 -0.8975 -0.8942 1.1327 1.1699 1.3545 1.4050
1.5074 1.5135 1.7835 1.7977 1.8505 1.8574 2.0559 2.0563
2.4683 2.4789 2.6969 2.6989 2.7767 2.7783 2.8764 2.8772
8.9487 8.9508 9.9301 9.9362 10.0505 10.0603 10.6833 10.6931
10.7862 10.7943
k = 0.4091 0.2362-0.0000 ( 5438 PWs) bands (ev):
-28.9550 -28.9550 -28.9547 -28.9547 -14.0079 -13.9960 -13.9884 -13.9754
-11.8350 -11.7502 -11.6821 -11.6534 -10.9266 -10.7531 -10.7005 -10.6841
-10.5995 -10.5979 -10.5625 -10.4807 -9.6519 -9.6257 -9.5133 -9.4302
-1.0908 -1.0873 -0.8920 -0.8891 1.1390 1.1776 1.3374 1.3881
1.4892 1.4951 1.7824 1.7949 1.8497 1.8560 2.0501 2.0505
2.4789 2.4890 2.7086 2.7110 2.7724 2.7739 2.8758 2.8765
8.9362 8.9381 9.9410 9.9456 10.0757 10.0828 10.6783 10.6868
10.8077 10.8166
k = 0.4205 0.2427-0.0000 ( 5432 PWs) bands (ev):
-28.9546 -28.9546 -28.9543 -28.9543 -14.0107 -13.9988 -13.9936 -13.9806
-11.8255 -11.7440 -11.6901 -11.6586 -10.9133 -10.7520 -10.6976 -10.6923
-10.6018 -10.5994 -10.5669 -10.4895 -9.6445 -9.6182 -9.5110 -9.4346
-1.0922 -1.0890 -0.8871 -0.8846 1.1457 1.1853 1.3220 1.3728
1.4723 1.4782 1.7816 1.7925 1.8490 1.8547 2.0449 2.0454
2.4895 2.4989 2.7191 2.7221 2.7679 2.7688 2.8749 2.8756
8.9248 8.9265 9.9503 9.9537 10.0976 10.1026 10.6721 10.6794
10.8334 10.8431
k = 0.4318 0.2493-0.0000 ( 5430 PWs) bands (ev):
-28.9542 -28.9542 -28.9539 -28.9539 -14.0131 -14.0010 -13.9982 -13.9853
-11.8157 -11.7377 -11.6986 -11.6639 -10.8995 -10.7521 -10.7009 -10.6962
-10.6040 -10.5976 -10.5712 -10.4986 -9.6375 -9.6121 -9.5081 -9.4395
-1.0935 -1.0907 -0.8828 -0.8807 1.1527 1.1926 1.3087 1.3588
1.4571 1.4628 1.7811 1.7904 1.8484 1.8534 2.0405 2.0409
2.4998 2.5085 2.7282 2.7322 2.7634 2.7634 2.8739 2.8745
8.9146 8.9161 9.9585 9.9610 10.1160 10.1192 10.6651 10.6712
10.8629 10.8732
k = 0.4432 0.2559-0.0000 ( 5426 PWs) bands (ev):
-28.9539 -28.9539 -28.9536 -28.9536 -14.0149 -14.0027 -14.0024 -13.9896
-11.8058 -11.7313 -11.7074 -11.6694 -10.8852 -10.7544 -10.7083 -10.6962
-10.6047 -10.5939 -10.5755 -10.5080 -9.6309 -9.6075 -9.5043 -9.4448
-1.0945 -1.0921 -0.8792 -0.8775 1.1599 1.1989 1.2980 1.3460
1.4436 1.4491 1.7809 1.7885 1.8479 1.8522 2.0368 2.0372
2.5096 2.5174 2.7351 2.7409 2.7578 2.7599 2.8728 2.8734
8.9058 8.9070 9.9659 9.9677 10.1308 10.1327 10.6577 10.6626
10.8957 10.9063
k = 0.4545 0.2624-0.0000 ( 5432 PWs) bands (ev):
-28.9537 -28.9537 -28.9534 -28.9534 -14.0161 -14.0061 -14.0038 -13.9933
-11.7958 -11.7249 -11.7165 -11.6751 -10.8706 -10.7602 -10.7131 -10.6974
-10.6042 -10.5887 -10.5796 -10.5177 -9.6247 -9.6045 -9.4997 -9.4505
-1.0953 -1.0933 -0.8762 -0.8749 1.1673 1.2034 1.2904 1.3344
1.4323 1.4373 1.7808 1.7869 1.8476 1.8511 2.0338 2.0341
2.5187 2.5252 2.7388 2.7475 2.7532 2.7586 2.8717 2.8722
8.8984 8.8994 9.9724 9.9736 10.1423 10.1433 10.6505 10.6543
10.9309 10.9417
k = 0.4659 0.2690-0.0000 ( 5420 PWs) bands (ev):
-28.9535 -28.9535 -28.9532 -28.9532 -14.0168 -14.0093 -14.0045 -13.9965
-11.7857 -11.7259 -11.7184 -11.6810 -10.8556 -10.7698 -10.7147 -10.6996
-10.6029 -10.5846 -10.5811 -10.5274 -9.6192 -9.6030 -9.4944 -9.4565
-1.0958 -1.0944 -0.8739 -0.8729 1.1746 1.2054 1.2866 1.3237
1.4233 1.4276 1.7810 1.7855 1.8475 1.8501 2.0314 2.0317
2.5265 2.5317 2.7390 2.7460 2.7558 2.7600 2.8707 2.8711
8.8926 8.8933 9.9778 9.9786 10.1509 10.1513 10.6441 10.6469
10.9676 10.9781
k = 0.4773 0.2756-0.0000 ( 5424 PWs) bands (ev):
-28.9533 -28.9533 -28.9531 -28.9531 -14.0170 -14.0119 -14.0045 -13.9992
-11.7755 -11.7355 -11.7120 -11.6870 -10.8405 -10.7820 -10.7138 -10.7024
-10.6008 -10.5880 -10.5739 -10.5372 -9.6142 -9.6030 -9.4885 -9.4628
-1.0961 -1.0952 -0.8722 -0.8715 1.1819 1.2044 1.2869 1.3139
1.4171 1.4202 1.7813 1.7844 1.8475 1.8492 2.0298 2.0300
2.5327 2.5364 2.7377 2.7419 2.7602 2.7624 2.8699 2.8701
8.8884 8.8889 9.9819 9.9824 10.1568 10.1569 10.6392 10.6410
11.0039 11.0135
k = 0.4886 0.2821-0.0000 ( 5424 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0166 -14.0140 -14.0040 -14.0014
-11.7654 -11.7454 -11.7056 -11.6931 -10.8254 -10.7958 -10.7117 -10.7055
-10.5981 -10.5916 -10.5655 -10.5469 -9.6100 -9.6043 -9.4822 -9.4692
-1.0962 -1.0958 -0.8711 -0.8707 1.1890 1.2008 1.2906 1.3048
1.4136 1.4152 1.7818 1.7833 1.8476 1.8485 2.0288 2.0289
2.5371 2.5389 2.7368 2.7389 2.7631 2.7641 2.8693 2.8695
8.8859 8.8861 9.9846 9.9848 10.1602 10.1602 10.6361 10.6371
11.0362 11.0431
k = 0.5000 0.2887-0.0000 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0156 -14.0156 -14.0030 -14.0030
-11.7553 -11.7553 -11.6993 -11.6993 -10.8104 -10.8104 -10.7087 -10.7087
-10.5950 -10.5950 -10.5564 -10.5564 -9.6066 -9.6066 -9.4758 -9.4758
-1.0961 -1.0961 -0.8706 -0.8706 1.1954 1.1954 1.2969 1.2969
1.4130 1.4130 1.7825 1.7825 1.8480 1.8480 2.0285 2.0285
2.5392 2.5392 2.7371 2.7371 2.7644 2.7644 2.8692 2.8692
8.8851 8.8851 9.9855 9.9855 10.1613 10.1613 10.6354 10.6354
11.0537 11.0537
k = 0.5000 0.2887-0.0000 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0156 -14.0156 -14.0030 -14.0030
-11.7553 -11.7553 -11.6993 -11.6993 -10.8104 -10.8104 -10.7087 -10.7087
-10.5950 -10.5950 -10.5564 -10.5564 -9.6066 -9.6066 -9.4758 -9.4758
-1.0961 -1.0961 -0.8706 -0.8706 1.1954 1.1954 1.2969 1.2969
1.4130 1.4130 1.7825 1.7825 1.8480 1.8480 2.0285 2.0285
2.5392 2.5392 2.7371 2.7371 2.7644 2.7644 2.8692 2.8692
8.8851 8.8851 9.9855 9.9855 10.1613 10.1613 10.6354 10.6354
11.0537 11.0537
k = 0.4936 0.2998-0.0000 ( 5416 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0164 -14.0156 -14.0030 -14.0022
-11.7662 -11.7456 -11.7073 -11.6904 -10.8196 -10.8011 -10.7140 -10.7055
-10.6122 -10.5777 -10.5624 -10.5479 -9.6083 -9.6052 -9.4763 -9.4755
-1.0961 -1.0956 -0.8705 -0.8705 1.1950 1.1963 1.2963 1.2975
1.4132 1.4134 1.7789 1.7853 1.8450 1.8510 2.0271 2.0275
2.5389 2.5398 2.7338 2.7389 2.7634 2.7672 2.8679 2.8698
8.8871 8.8873 9.9839 9.9846 10.1632 10.1639 10.6339 10.6362
11.0543 11.0554
k = 0.4872 0.3109-0.0000 ( 5424 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0179 -14.0165 -14.0024 -14.0010
-11.7774 -11.7394 -11.7122 -11.6814 -10.8287 -10.7920 -10.7211 -10.7041
-10.6286 -10.5678 -10.5586 -10.5375 -9.6102 -9.6039 -9.4771 -9.4755
-1.0955 -1.0947 -0.8702 -0.8702 1.1949 1.1976 1.2957 1.2980
1.4141 1.4145 1.7747 1.7872 1.8422 1.8539 2.0234 2.0241
2.5389 2.5406 2.7298 2.7386 2.7648 2.7710 2.8658 2.8696
8.8932 8.8936 9.9798 9.9811 10.1698 10.1712 10.6316 10.6362
11.0572 11.0594
k = 0.4808 0.3220-0.0000 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9529 -28.9529 -14.0197 -14.0180 -14.0013 -13.9996
-11.7889 -11.7406 -11.7098 -11.6723 -10.8375 -10.7833 -10.7300 -10.7042
-10.6441 -10.5693 -10.5411 -10.5254 -9.6122 -9.6028 -9.4783 -9.4759
-1.0944 -1.0932 -0.8698 -0.8698 1.1952 1.1993 1.2950 1.2984
1.4156 1.4162 1.7700 1.7880 1.8397 1.8566 2.0173 2.0183
2.5392 2.5418 2.7254 2.7364 2.7683 2.7753 2.8630 2.8687
8.9033 8.9039 9.9730 9.9749 10.1813 10.1833 10.6284 10.6353
11.0623 11.0656
k = 0.4744 0.3331-0.0000 ( 5418 PWs) bands (ev):
-28.9531 -28.9531 -28.9528 -28.9528 -14.0218 -14.0199 -13.9999 -13.9980
-11.8004 -11.7475 -11.7019 -11.6634 -10.8461 -10.7755 -10.7402 -10.7058
-10.6579 -10.5697 -10.5232 -10.5120 -9.6145 -9.6018 -9.4797 -9.4765
-1.0929 -1.0913 -0.8692 -0.8691 1.1959 1.2015 1.2943 1.2987
1.4177 1.4186 1.7649 1.7877 1.8376 1.8589 2.0090 2.0103
2.5398 2.5432 2.7210 2.7333 2.7729 2.7799 2.8595 2.8671
8.9173 8.9182 9.9635 9.9660 10.1976 10.2002 10.6241 10.6333
11.0698 11.0740
k = 0.4679 0.3442-0.0000 ( 5414 PWs) bands (ev):
-28.9530 -28.9530 -28.9527 -28.9527 -14.0240 -14.0220 -13.9985 -13.9965
-11.8118 -11.7563 -11.6924 -11.6548 -10.8543 -10.7695 -10.7513 -10.7082
-10.6694 -10.5687 -10.5054 -10.4977 -9.6169 -9.6009 -9.4813 -9.4774
-1.0909 -1.0889 -0.8684 -0.8683 1.1970 1.2040 1.2936 1.2989
1.4205 1.4217 1.7595 1.7861 1.8360 1.8608 1.9987 2.0001
2.5406 2.5448 2.7166 2.7296 2.7782 2.7846 2.8556 2.8649
8.9350 8.9361 9.9513 9.9543 10.2189 10.2220 10.6183 10.6299
11.0793 11.0845
k = 0.4615 0.3553-0.0000 ( 5416 PWs) bands (ev):
-28.9529 -28.9529 -28.9526 -28.9526 -14.0264 -14.0244 -13.9970 -13.9950
-11.8231 -11.7658 -11.6825 -11.6465 -10.8621 -10.7666 -10.7630 -10.7108
-10.6776 -10.5668 -10.4878 -10.4828 -9.6195 -9.6001 -9.4832 -9.4785
-1.0884 -1.0861 -0.8675 -0.8674 1.1983 1.2069 1.2929 1.2991
1.4240 1.4255 1.7539 1.7834 1.8348 1.8621 1.9864 1.9880
2.5417 2.5467 2.7123 2.7257 2.7837 2.7892 2.8513 2.8622
8.9562 8.9575 9.9364 9.9399 10.2450 10.2486 10.6107 10.6246
11.0906 11.0965
k = 0.4551 0.3664-0.0000 ( 5410 PWs) bands (ev):
-28.9528 -28.9528 -28.9525 -28.9525 -14.0288 -14.0268 -13.9956 -13.9936
-11.8342 -11.7754 -11.6727 -11.6385 -10.8696 -10.7750 -10.7680 -10.7129
-10.6818 -10.5642 -10.4705 -10.4675 -9.6223 -9.5994 -9.4854 -9.4800
-1.0856 -1.0830 -0.8664 -0.8663 1.1998 1.2101 1.2922 1.2991
1.4281 1.4300 1.7482 1.7797 1.8339 1.8629 1.9724 1.9741
2.5431 2.5487 2.7081 2.7217 2.7894 2.7937 2.8468 2.8591
8.9806 8.9821 9.9192 9.9232 10.2757 10.2797 10.6010 10.6171
11.0841 11.0942
k = 0.4487 0.3775-0.0000 ( 5410 PWs) bands (ev):
-28.9526 -28.9526 -28.9524 -28.9524 -14.0312 -14.0292 -13.9943 -13.9924
-11.8450 -11.7849 -11.6631 -11.6308 -10.8766 -10.7870 -10.7740 -10.7143
-10.6819 -10.5611 -10.4535 -10.4522 -9.6252 -9.5987 -9.4878 -9.4816
-1.0824 -1.0795 -0.8652 -0.8651 1.2016 1.2137 1.2915 1.2990
1.4330 1.4353 1.7423 1.7752 1.8331 1.8630 1.9569 1.9587
2.5446 2.5509 2.7040 2.7176 2.7950 2.7977 2.8423 2.8557
9.0080 9.0097 9.9000 9.9043 10.3107 10.3150 10.5887 10.6068
11.0688 11.0813
k = 0.4423 0.3886-0.0000 ( 5410 PWs) bands (ev):
-28.9525 -28.9525 -28.9523 -28.9523 -14.0336 -14.0317 -13.9930 -13.9912
-11.8555 -11.7943 -11.6538 -11.6236 -10.8833 -10.7988 -10.7833 -10.7160
-10.6781 -10.5579 -10.4371 -10.4369 -9.6281 -9.5979 -9.4903 -9.4835
-1.0789 -1.0758 -0.8639 -0.8638 1.2034 1.2176 1.2909 1.2988
1.4385 1.4412 1.7365 1.7700 1.8322 1.8622 1.9403 1.9421
2.5464 2.5533 2.7001 2.7135 2.8005 2.8012 2.8382 2.8521
9.0379 9.0397 9.8790 9.8838 10.3496 10.3543 10.5735 10.5934
11.0551 11.0691
k = 0.4359 0.3997-0.0000 ( 5406 PWs) bands (ev):
-28.9524 -28.9524 -28.9521 -28.9521 -14.0361 -14.0342 -13.9919 -13.9902
-11.8656 -11.8035 -11.6449 -11.6167 -10.8895 -10.8102 -10.7942 -10.7181
-10.6716 -10.5546 -10.4218 -10.4213 -9.6311 -9.5971 -9.4931 -9.4856
-1.0752 -1.0719 -0.8625 -0.8624 1.2053 1.2216 1.2903 1.2985
1.4447 1.4479 1.7307 1.7643 1.8311 1.8601 1.9226 1.9250
2.5483 2.5557 2.6962 2.7093 2.8037 2.8057 2.8348 2.8486
9.0700 9.0720 9.8566 9.8618 10.3919 10.3970 10.5554 10.5767
11.0440 11.0588
k = 0.4295 0.4108-0.0000 ( 5406 PWs) bands (ev):
-28.9522 -28.9522 -28.9520 -28.9520 -14.0385 -14.0367 -13.9909 -13.9893
-11.8753 -11.8124 -11.6364 -11.6103 -10.8953 -10.8211 -10.8059 -10.7205
-10.6635 -10.5513 -10.4071 -10.4061 -9.6342 -9.5962 -9.4959 -9.4880
-1.0713 -1.0679 -0.8610 -0.8610 1.2073 1.2259 1.2898 1.2981
1.4517 1.4554 1.7250 1.7582 1.8295 1.8561 1.9044 1.9081
2.5504 2.5581 2.6923 2.7051 2.8049 2.8105 2.8328 2.8453
9.1040 9.1060 9.8332 9.8388 10.4371 10.4426 10.5345 10.5569
11.0358 11.0511
k = 0.4231 0.4219-0.0000 ( 5410 PWs) bands (ev):
-28.9520 -28.9520 -28.9518 -28.9518 -14.0408 -14.0392 -13.9901 -13.9885
-11.8845 -11.8209 -11.6283 -11.6042 -10.9007 -10.8314 -10.8178 -10.7230
-10.6545 -10.5483 -10.3930 -10.3916 -9.6372 -9.5950 -9.4990 -9.4905
-1.0673 -1.0638 -0.8595 -0.8594 1.2091 1.2303 1.2894 1.2977
1.4594 1.4636 1.7194 1.7517 1.8271 1.8489 1.8862 1.8931
2.5527 2.5607 2.6885 2.7008 2.8045 2.8148 2.8322 2.8424
9.1394 9.1413 9.8091 9.8151 10.4833 10.4896 10.5120 10.5353
11.0307 11.0459
k = 0.4167 0.4330-0.0000 ( 5430 PWs) bands (ev):
-28.9519 -28.9519 -28.9517 -28.9517 -14.0432 -14.0416 -13.9893 -13.9879
-11.8932 -11.8290 -11.6207 -11.5987 -10.9056 -10.8410 -10.8295 -10.7256
-10.6452 -10.5455 -10.3795 -10.3780 -9.6402 -9.5936 -9.5021 -9.4931
-1.0633 -1.0597 -0.8579 -0.8579 1.2109 1.2349 1.2891 1.2971
1.4678 1.4725 1.7139 1.7448 1.8235 1.8370 1.8687 1.8815
2.5551 2.5632 2.6847 2.6964 2.8029 2.8183 2.8329 2.8402
9.1757 9.1777 9.7846 9.7911 10.4834 10.5009 10.5419 10.5425
11.0287 11.0433
k = 0.4103 0.4441-0.0000 ( 5430 PWs) bands (ev):
-28.9517 -28.9517 -28.9515 -28.9515 -14.0454 -14.0439 -13.9887 -13.9874
-11.9013 -11.8366 -11.6136 -11.5935 -10.9100 -10.8500 -10.8407 -10.7280
-10.6358 -10.5431 -10.3667 -10.3652 -9.6430 -9.5920 -9.5052 -9.4960
-1.0592 -1.0557 -0.8563 -0.8563 1.2125 1.2394 1.2888 1.2966
1.4768 1.4821 1.7086 1.7375 1.8174 1.8208 1.8536 1.8735
2.5578 2.5659 2.6809 2.6919 2.8008 2.8208 2.8343 2.8390
9.2126 9.2145 9.7602 9.7670 10.4557 10.4755 10.5907 10.5941
11.0293 11.0430
k = 0.4038 0.4552-0.0000 ( 5436 PWs) bands (ev):
-28.9515 -28.9515 -28.9514 -28.9514 -14.0476 -14.0462 -13.9883 -13.9870
-11.9088 -11.8437 -11.6070 -11.5889 -10.9140 -10.8582 -10.8513 -10.7302
-10.6264 -10.5412 -10.3547 -10.3534 -9.6457 -9.5900 -9.5084 -9.4990
-1.0553 -1.0517 -0.8548 -0.8547 1.2139 1.2440 1.2887 1.2960
1.4866 1.4924 1.7034 1.7298 1.8019 1.8072 1.8427 1.8675
2.5606 2.5686 2.6771 2.6873 2.7986 2.8222 2.8360 2.8389
9.2498 9.2514 9.7360 9.7432 10.4265 10.4460 10.6430 10.6469
11.0323 11.0446
k = 0.3974 0.4663-0.0000 ( 5424 PWs) bands (ev):
-28.9514 -28.9514 -28.9512 -28.9512 -14.0496 -14.0484 -13.9879 -13.9867
-11.9157 -11.8503 -11.6009 -11.5847 -10.9174 -10.8657 -10.8613 -10.7323
-10.6173 -10.5397 -10.3436 -10.3425 -9.6482 -9.5877 -9.5116 -9.5021
-1.0514 -1.0480 -0.8532 -0.8532 1.2150 1.2486 1.2886 1.2954
1.4971 1.5033 1.6984 1.7216 1.7818 1.7932 1.8360 1.8624
2.5637 2.5714 2.6731 2.6825 2.7966 2.8226 2.8377 2.8398
9.2866 9.2880 9.7123 9.7199 10.3965 10.4152 10.6961 10.7001
11.0372 11.0477
k = 0.3910 0.4774-0.0000 ( 5424 PWs) bands (ev):
-28.9512 -28.9512 -28.9511 -28.9511 -14.0515 -14.0504 -13.9876 -13.9866
-11.9219 -11.8563 -11.5954 -11.5810 -10.9203 -10.8726 -10.8706 -10.7342
-10.6085 -10.5387 -10.3336 -10.3327 -9.6505 -9.5850 -9.5148 -9.5054
-1.0478 -1.0445 -0.8518 -0.8517 1.2160 1.2530 1.2886 1.2949
1.5081 1.5148 1.6934 1.7129 1.7615 1.7776 1.8318 1.8576
2.5672 2.5744 2.6691 2.6776 2.7951 2.8226 2.8392 2.8411
9.3229 9.3239 9.6893 9.6973 10.3666 10.3841 10.7490 10.7530
11.0434 11.0519
k = 0.3846 0.4885-0.0000 ( 5416 PWs) bands (ev):
-28.9510 -28.9510 -28.9509 -28.9509 -14.0533 -14.0523 -13.9875 -13.9865
-11.9274 -11.8617 -11.5904 -11.5777 -10.9225 -10.8790 -10.8788 -10.7359
-10.6001 -10.5382 -10.3245 -10.3239 -9.6525 -9.5818 -9.5180 -9.5088
-1.0443 -1.0413 -0.8503 -0.8502 1.2167 1.2573 1.2886 1.2944
1.5198 1.5268 1.6886 1.7035 1.7413 1.7619 1.8289 1.8530
2.5709 2.5776 2.6649 2.6724 2.7941 2.8226 2.8404 2.8425
9.3581 9.3586 9.6673 9.6757 10.3372 10.3533 10.8011 10.8051
11.0506 11.0566
k = 0.3782 0.4996-0.0000 ( 5420 PWs) bands (ev):
-28.9509 -28.9509 -28.9508 -28.9508 -14.0549 -14.0541 -13.9874 -13.9866
-11.9323 -11.8664 -11.5859 -11.5749 -10.9241 -10.8867 -10.8844 -10.7373
-10.5922 -10.5383 -10.3166 -10.3162 -9.6543 -9.5782 -9.5211 -9.5123
-1.0412 -1.0384 -0.8490 -0.8489 1.2173 1.2615 1.2885 1.2940
1.5320 1.5391 1.6838 1.6935 1.7218 1.7470 1.8266 1.8483
2.5751 2.5810 2.6606 2.6670 2.7935 2.8229 2.8414 2.8436
9.3917 9.3919 9.6465 9.6552 10.3090 10.3237 10.8516 10.8556
11.0582 11.0617
k = 0.3718 0.5107-0.0000 ( 5412 PWs) bands (ev):
-28.9508 -28.9508 -28.9507 -28.9507 -14.0564 -14.0556 -13.9874 -13.9866
-11.9364 -11.8705 -11.5819 -11.5727 -10.9250 -10.8934 -10.8894 -10.7386
-10.5848 -10.5389 -10.3097 -10.3096 -9.6557 -9.5742 -9.5241 -9.5160
-1.0384 -1.0359 -0.8478 -0.8477 1.2176 1.2654 1.2883 1.2936
1.5446 1.5517 1.6791 1.6831 1.7032 1.7331 1.8249 1.8438
2.5796 2.5848 2.6560 2.6613 2.7935 2.8234 2.8419 2.8444
9.4228 9.4238 9.6269 9.6360 10.2828 10.2957 10.8999 10.9040
11.0658 11.0669
k = 0.3654 0.5218-0.0000 ( 5416 PWs) bands (ev):
-28.9506 -28.9506 -28.9505 -28.9505 -14.0577 -14.0570 -13.9874 -13.9868
-11.9399 -11.8740 -11.5785 -11.5709 -10.9251 -10.8993 -10.8940 -10.7396
-10.5779 -10.5400 -10.3041 -10.3040 -9.6569 -9.5697 -9.5269 -9.5198
-1.0360 -1.0338 -0.8467 -0.8466 1.2178 1.2691 1.2880 1.2934
1.5577 1.5642 1.6725 1.6745 1.6858 1.7203 1.8236 1.8395
2.5846 2.5890 2.6511 2.6553 2.7938 2.8244 2.8423 2.8447
9.4515 9.4534 9.6088 9.6183 10.2591 10.2701 10.9452 10.9496
11.0720 11.0727
k = 0.3590 0.5329-0.0000 ( 5424 PWs) bands (ev):
-28.9505 -28.9505 -28.9505 -28.9505 -14.0588 -14.0582 -13.9875 -13.9870
-11.9427 -11.8768 -11.5756 -11.5696 -10.9245 -10.9043 -10.8983 -10.7405
-10.5716 -10.5417 -10.2997 -10.2995 -9.6578 -9.5647 -9.5296 -9.5238
-1.0339 -1.0322 -0.8458 -0.8457 1.2179 1.2724 1.2875 1.2932
1.5711 1.5765 1.6621 1.6699 1.6703 1.7084 1.8228 1.8354
2.5901 2.5937 2.6459 2.6490 2.7944 2.8256 2.8423 2.8446
9.4773 9.4802 9.5922 9.6022 10.2386 10.2476 10.9865 10.9917
11.0770 11.0780
k = 0.3526 0.5440-0.0000 ( 5430 PWs) bands (ev):
-28.9504 -28.9504 -28.9504 -28.9504 -14.0596 -14.0592 -13.9876 -13.9872
-11.9448 -11.8789 -11.5732 -11.5688 -10.9231 -10.9084 -10.9021 -10.7411
-10.5659 -10.5438 -10.2963 -10.2960 -9.6584 -9.5594 -9.5322 -9.5279
-1.0323 -1.0309 -0.8451 -0.8450 1.2180 1.2755 1.2867 1.2931
1.5848 1.5880 1.6523 1.6556 1.6668 1.6975 1.8225 1.8318
2.5961 2.5988 2.6405 2.6424 2.7952 2.8271 2.8422 2.8441
9.4997 9.5038 9.5773 9.5879 10.2220 10.2288 11.0227 11.0294
11.0816 11.0819
k = 0.3462 0.5551-0.0000 ( 5426 PWs) bands (ev):
-28.9504 -28.9504 -28.9503 -28.9503 -14.0602 -14.0599 -13.9877 -13.9874
-11.9463 -11.8805 -11.5713 -11.5684 -10.9209 -10.9116 -10.9057 -10.7416
-10.5609 -10.5464 -10.2939 -10.2936 -9.6587 -9.5538 -9.5345 -9.5321
-1.0310 -1.0301 -0.8445 -0.8444 1.2179 1.2783 1.2856 1.2930
1.5977 1.5987 1.6432 1.6432 1.6649 1.6875 1.8227 1.8288
2.6024 2.6042 2.6349 2.6356 2.7959 2.8286 2.8421 2.8433
9.5182 9.5233 9.5641 9.5756 10.2099 10.2145 11.0515 11.0606
11.0840 11.0877
k = 0.3397 0.5662-0.0000 ( 5422 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0604 -13.9877 -13.9876
-11.9472 -11.8814 -11.5699 -11.5685 -10.9180 -10.9139 -10.9091 -10.7419
-10.5565 -10.5494 -10.2924 -10.2923 -9.6589 -9.5480 -9.5366 -9.5363
-1.0302 -1.0297 -0.8441 -0.8441 1.2179 1.2807 1.2843 1.2930
1.6042 1.6125 1.6328 1.6353 1.6659 1.6785 1.8233 1.8263
2.6087 2.6094 2.6291 2.6296 2.7965 2.8300 2.8419 2.8425
9.5326 9.5378 9.5527 9.5660 10.2029 10.2051 11.0700 11.0780
11.0844 11.1005
k = 0.3333 0.5774-0.0000 ( 5418 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9474 -11.8816 -11.5690 -11.5690 -10.9153 -10.9153 -10.9112 -10.7420
-10.5527 -10.5527 -10.2919 -10.2919 -9.6589 -9.5440 -9.5385 -9.5385
-1.0298 -1.0298 -0.8440 -0.8440 1.2179 1.2826 1.2826 1.2930
1.6064 1.6248 1.6248 1.6296 1.6707 1.6707 1.8245 1.8245
2.6123 2.6123 2.6253 2.6267 2.7968 2.8306 2.8419 2.8419
9.5415 9.5442 9.5442 9.5619 10.2012 10.2012 11.0774 11.0823
11.0823 11.1168
k = 0.3333 0.5774-0.0000 ( 5418 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9474 -11.8816 -11.5690 -11.5690 -10.9153 -10.9153 -10.9112 -10.7420
-10.5527 -10.5527 -10.2919 -10.2919 -9.6589 -9.5440 -9.5385 -9.5385
-1.0298 -1.0298 -0.8440 -0.8440 1.2179 1.2826 1.2826 1.2930
1.6064 1.6248 1.6248 1.6296 1.6707 1.6707 1.8245 1.8245
2.6123 2.6123 2.6253 2.6267 2.7968 2.8306 2.8419 2.8419
9.5415 9.5442 9.5442 9.5619 10.2012 10.2012 11.0774 11.0823
11.0823 11.1168
k = 0.3268 0.5660-0.0000 ( 5426 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0604 -13.9877 -13.9876
-11.9472 -11.8814 -11.5699 -11.5685 -10.9169 -10.9159 -10.9081 -10.7419
-10.5563 -10.5495 -10.2925 -10.2922 -9.6589 -9.5473 -9.5402 -9.5334
-1.0302 -1.0297 -0.8441 -0.8441 1.2179 1.2807 1.2841 1.2930
1.6047 1.6189 1.6216 1.6394 1.6652 1.6795 1.8234 1.8262
2.6081 2.6091 2.6296 2.6300 2.7965 2.8298 2.8422 2.8424
9.5347 9.5415 9.5486 9.5641 10.2030 10.2052 11.0683 11.0819
11.0834 11.1064
k = 0.3203 0.5547-0.0000 ( 5428 PWs) bands (ev):
-28.9504 -28.9504 -28.9503 -28.9503 -14.0602 -14.0599 -13.9876 -13.9873
-11.9464 -11.8805 -11.5712 -11.5684 -10.9201 -10.9156 -10.9026 -10.7416
-10.5602 -10.5470 -10.2938 -10.2934 -9.6589 -9.5523 -9.5415 -9.5267
-1.0310 -1.0300 -0.8446 -0.8445 1.2180 1.2786 1.2849 1.2934
1.6011 1.6144 1.6165 1.6471 1.6661 1.6909 1.8231 1.8284
2.6002 2.6022 2.6371 2.6376 2.7955 2.8275 2.8427 2.8438
9.5286 9.5369 9.5500 9.5656 10.2105 10.2145 11.0504 11.0763
11.0830 11.0913
k = 0.3137 0.5434-0.0000 ( 5418 PWs) bands (ev):
-28.9505 -28.9505 -28.9504 -28.9504 -14.0595 -14.0590 -13.9874 -13.9869
-11.9451 -11.8791 -11.5729 -11.5687 -10.9236 -10.9145 -10.8962 -10.7412
-10.5641 -10.5452 -10.2960 -10.2952 -9.6590 -9.5578 -9.5425 -9.5195
-1.0322 -1.0307 -0.8454 -0.8451 1.2180 1.2764 1.2847 1.2943
1.5973 1.6112 1.6121 1.6473 1.6762 1.7037 1.8235 1.8311
2.5913 2.5942 2.6454 2.6466 2.7937 2.8241 2.8436 2.8458
9.5242 9.5332 9.5476 9.5640 10.2231 10.2287 11.0289 11.0596
11.0798 11.0815
k = 0.3072 0.5321-0.0000 ( 5418 PWs) bands (ev):
-28.9506 -28.9506 -28.9505 -28.9505 -14.0584 -14.0578 -13.9870 -13.9863
-11.9435 -11.8773 -11.5749 -11.5695 -10.9272 -10.9127 -10.8889 -10.7406
-10.5681 -10.5440 -10.2987 -10.2978 -9.6593 -9.5636 -9.5433 -9.5123
-1.0336 -1.0317 -0.8465 -0.8461 1.2180 1.2743 1.2833 1.2959
1.5939 1.6084 1.6094 1.6461 1.6895 1.7172 1.8246 1.8342
2.5819 2.5855 2.6543 2.6563 2.7911 2.8198 2.8447 2.8479
9.5215 9.5309 9.5421 9.5592 10.2400 10.2469 11.0057 11.0373
11.0739 11.0749
k = 0.3007 0.5207-0.0000 ( 5420 PWs) bands (ev):
-28.9507 -28.9507 -28.9506 -28.9506 -14.0570 -14.0562 -13.9864 -13.9855
-11.9416 -11.8750 -11.5771 -11.5705 -10.9311 -10.9101 -10.8809 -10.7398
-10.5721 -10.5435 -10.3020 -10.3009 -9.6598 -9.5697 -9.5437 -9.5050
-1.0353 -1.0330 -0.8480 -0.8474 1.2177 1.2724 1.2808 1.2982
1.5911 1.6056 1.6092 1.6460 1.7033 1.7311 1.8264 1.8378
2.5722 2.5763 2.6637 2.6664 2.7877 2.8147 2.8459 2.8499
9.5204 9.5300 9.5341 9.5520 10.2601 10.2679 10.9814 11.0133
11.0659 11.0676
k = 0.2941 0.5094-0.0000 ( 5416 PWs) bands (ev):
-28.9509 -28.9509 -28.9508 -28.9508 -14.0553 -14.0542 -13.9856 -13.9845
-11.9394 -11.8723 -11.5796 -11.5719 -10.9351 -10.9069 -10.8722 -10.7389
-10.5759 -10.5436 -10.3057 -10.3045 -9.6606 -9.5762 -9.5437 -9.4976
-1.0373 -1.0344 -0.8498 -0.8491 1.2168 1.2714 1.2772 1.3013
1.5892 1.6036 1.6107 1.6473 1.7173 1.7450 1.8288 1.8418
2.5622 2.5669 2.6735 2.6768 2.7836 2.8090 2.8472 2.8518
9.5205 9.5248 9.5298 9.5435 10.2820 10.2904 10.9559 10.9881
11.0563 11.0594
k = 0.2876 0.4981-0.0000 ( 5420 PWs) bands (ev):
-28.9511 -28.9511 -28.9510 -28.9510 -14.0531 -14.0519 -13.9846 -13.9831
-11.9371 -11.8694 -11.5822 -11.5736 -10.9394 -10.9031 -10.8628 -10.7379
-10.5795 -10.5442 -10.3097 -10.3085 -9.6618 -9.5830 -9.5435 -9.4904
-1.0393 -1.0361 -0.8520 -0.8511 1.2150 1.2715 1.2724 1.3053
1.5885 1.6028 1.6137 1.6501 1.7312 1.7589 1.8317 1.8462
2.5521 2.5572 2.6834 2.6874 2.7787 2.8026 2.8483 2.8533
9.5131 9.5231 9.5273 9.5374 10.3044 10.3131 10.9292 10.9613
11.0458 11.0505
k = 0.2810 0.4868-0.0000 ( 5424 PWs) bands (ev):
-28.9514 -28.9514 -28.9513 -28.9513 -14.0507 -14.0492 -13.9833 -13.9815
-11.9346 -11.8661 -11.5848 -11.5755 -10.9440 -10.8988 -10.8529 -10.7368
-10.5829 -10.5455 -10.3139 -10.3129 -9.6635 -9.5901 -9.5429 -9.4833
-1.0415 -1.0378 -0.8547 -0.8536 1.2121 1.2665 1.2732 1.3103
1.5893 1.6032 1.6182 1.6541 1.7448 1.7726 1.8351 1.8509
2.5420 2.5474 2.6934 2.6981 2.7732 2.7956 2.8492 2.8545
9.5018 9.5183 9.5259 9.5382 10.3254 10.3341 10.9010 10.9328
11.0351 11.0415
k = 0.2745 0.4755-0.0000 ( 5424 PWs) bands (ev):
-28.9517 -28.9517 -28.9515 -28.9515 -14.0478 -14.0461 -13.9817 -13.9796
-11.9322 -11.8627 -11.5875 -11.5776 -10.9489 -10.8940 -10.8426 -10.7355
-10.5858 -10.5473 -10.3182 -10.3176 -9.6655 -9.5976 -9.5421 -9.4764
-1.0437 -1.0397 -0.8579 -0.8565 1.2078 1.2594 1.2770 1.3166
1.5916 1.6050 1.6238 1.6591 1.7583 1.7860 1.8391 1.8561
2.5319 2.5376 2.7033 2.7088 2.7671 2.7879 2.8498 2.8552
9.4904 9.5075 9.5297 9.5416 10.3432 10.3517 10.8712 10.9023
11.0248 11.0319
k = 0.2680 0.4641-0.0000 ( 5423 PWs) bands (ev):
-28.9521 -28.9521 -28.9519 -28.9519 -14.0446 -14.0425 -13.9798 -13.9774
-11.9298 -11.8592 -11.5901 -11.5799 -10.9540 -10.8888 -10.8318 -10.7342
-10.5884 -10.5495 -10.3225 -10.3225 -9.6680 -9.6054 -9.5411 -9.4697
-1.0459 -1.0415 -0.8615 -0.8598 1.2022 1.2515 1.2827 1.3241
1.5955 1.6082 1.6304 1.6651 1.7715 1.7990 1.8436 1.8616
2.5219 2.5279 2.7127 2.7194 2.7607 2.7796 2.8500 2.8554
9.4793 9.4966 9.5341 9.5460 10.3558 10.3640 10.8400 10.8700
11.0075 11.0196
k = 0.2614 0.4528-0.0000 ( 5431 PWs) bands (ev):
-28.9524 -28.9524 -28.9522 -28.9522 -14.0410 -14.0387 -13.9776 -13.9748
-11.9276 -11.8555 -11.5927 -11.5823 -10.9594 -10.8834 -10.8206 -10.7328
-10.5905 -10.5521 -10.3276 -10.3269 -9.6710 -9.6136 -9.5399 -9.4632
-1.0480 -1.0434 -0.8656 -0.8636 1.1956 1.2426 1.2905 1.3330
1.6009 1.6128 1.6379 1.6719 1.7844 1.8116 1.8486 1.8675
2.5123 2.5184 2.7210 2.7297 2.7547 2.7708 2.8496 2.8550
9.4690 9.4862 9.5389 9.5507 10.3612 10.3690 10.8076 10.8363
10.9865 11.0034
k = 0.2549 0.4415-0.0000 ( 5435 PWs) bands (ev):
-28.9529 -28.9529 -28.9526 -28.9526 -14.0371 -14.0344 -13.9751 -13.9718
-11.9255 -11.8519 -11.5950 -11.5849 -10.9651 -10.8777 -10.8093 -10.7314
-10.5922 -10.5549 -10.3328 -10.3311 -9.6744 -9.6221 -9.5385 -9.4571
-1.0500 -1.0451 -0.8701 -0.8679 1.1882 1.2332 1.3002 1.3434
1.6079 1.6188 1.6462 1.6793 1.7970 1.8236 1.8543 1.8737
2.5029 2.5093 2.7258 2.7391 2.7513 2.7620 2.8487 2.8539
9.4597 9.4769 9.5435 9.5553 10.3578 10.3653 10.7749 10.8022
10.9669 10.9845
k = 0.2484 0.4302-0.0000 ( 5445 PWs) bands (ev):
-28.9533 -28.9533 -28.9531 -28.9531 -14.0327 -14.0297 -13.9721 -13.9684
-11.9238 -11.8484 -11.5971 -11.5874 -10.9709 -10.8719 -10.7978 -10.7301
-10.5932 -10.5580 -10.3380 -10.3353 -9.6782 -9.6309 -9.5371 -9.4513
-1.0519 -1.0468 -0.8753 -0.8727 1.1803 1.2232 1.3117 1.3554
1.6162 1.6261 1.6551 1.6873 1.8093 1.8347 1.8609 1.8803
2.4941 2.5005 2.7237 2.7437 2.7537 2.7571 2.8471 2.8522
9.4516 9.4687 9.5476 9.5595 10.3446 10.3518 10.7428 10.7686
10.9493 10.9675
k = 0.2418 0.4189-0.0000 ( 5441 PWs) bands (ev):
-28.9538 -28.9538 -28.9535 -28.9535 -14.0281 -14.0247 -13.9689 -13.9647
-11.9223 -11.8449 -11.5989 -11.5900 -10.9769 -10.8661 -10.7862 -10.7288
-10.5937 -10.5610 -10.3433 -10.3393 -9.6824 -9.6401 -9.5356 -9.4458
-1.0536 -1.0483 -0.8809 -0.8779 1.1721 1.2131 1.3250 1.3689
1.6256 1.6346 1.6645 1.6956 1.8214 1.8448 1.8686 1.8873
2.4857 2.4924 2.7164 2.7363 2.7604 2.7631 2.8448 2.8498
9.4449 9.4619 9.5509 9.5627 10.3213 10.3284 10.7123 10.7365
10.9335 10.9525
k = 0.2353 0.4075-0.0000 ( 5435 PWs) bands (ev):
-28.9544 -28.9544 -28.9540 -28.9540 -14.0230 -14.0193 -13.9652 -13.9606
-11.9213 -11.8416 -11.6005 -11.5925 -10.9830 -10.8602 -10.7747 -10.7276
-10.5936 -10.5640 -10.3485 -10.3432 -9.6870 -9.6495 -9.5340 -9.4407
-1.0551 -1.0496 -0.8871 -0.8838 1.1639 1.2028 1.3400 1.3841
1.6362 1.6443 1.6744 1.7044 1.8331 1.8535 1.8775 1.8948
2.4780 2.4848 2.7067 2.7252 2.7683 2.7717 2.8418 2.8466
9.4399 9.4568 9.5527 9.5645 10.2883 10.2955 10.6842 10.7071
10.9196 10.9392
k = 0.2288 0.3962-0.0000 ( 5441 PWs) bands (ev):
-28.9549 -28.9549 -28.9546 -28.9546 -14.0177 -14.0136 -13.9612 -13.9561
-11.9205 -11.8386 -11.6017 -11.5951 -10.9891 -10.8544 -10.7633 -10.7267
-10.5930 -10.5668 -10.3536 -10.3471 -9.6919 -9.6591 -9.5325 -9.4361
-1.0563 -1.0507 -0.8939 -0.8902 1.1558 1.1927 1.3566 1.4008
1.6475 1.6549 1.6848 1.7134 1.8444 1.8611 1.8877 1.9026
2.4710 2.4780 2.6957 2.7129 2.7764 2.7803 2.8380 2.8427
9.4366 9.4533 9.5528 9.5644 10.2465 10.2538 10.6594 10.6809
10.9073 10.9277
k = 0.2222 0.3849-0.0000 ( 5447 PWs) bands (ev):
-28.9555 -28.9555 -28.9552 -28.9552 -14.0120 -14.0076 -13.9568 -13.9513
-11.9202 -11.8358 -11.6026 -11.5975 -10.9951 -10.8488 -10.7522 -10.7261
-10.5917 -10.5691 -10.3587 -10.3509 -9.6970 -9.6690 -9.5310 -9.4318
-1.0573 -1.0516 -0.9012 -0.8971 1.1479 1.1829 1.3746 1.4191
1.6595 1.6664 1.6955 1.7228 1.8554 1.8680 1.8987 1.9110
2.4648 2.4719 2.6838 2.6998 2.7842 2.7884 2.8335 2.8380
9.4351 9.4518 9.5507 9.5622 10.1968 10.2044 10.6385 10.6588
10.8966 10.9176
k = 0.2157 0.3736-0.0000 ( 5447 PWs) bands (ev):
-28.9562 -28.9562 -28.9558 -28.9558 -14.0060 -14.0013 -13.9520 -13.9460
-11.9202 -11.8332 -11.6032 -11.5998 -11.0011 -10.8432 -10.7415 -10.7259
-10.5898 -10.5710 -10.3636 -10.3547 -9.7024 -9.6790 -9.5295 -9.4279
-1.0580 -1.0522 -0.9091 -0.9046 1.1406 1.1735 1.3940 1.4388
1.6719 1.6787 1.7067 1.7324 1.8661 1.8746 1.9102 1.9200
2.4594 2.4666 2.6712 2.6861 2.7914 2.7959 2.8282 2.8326
9.4356 9.4521 9.5461 9.5574 10.1403 10.1482 10.6220 10.6412
10.8873 10.9088
k = 0.2092 0.3623-0.0000 ( 5455 PWs) bands (ev):
-28.9568 -28.9568 -28.9564 -28.9564 -13.9997 -13.9947 -13.9469 -13.9405
-11.9205 -11.8310 -11.6035 -11.6021 -11.0070 -10.8379 -10.7313 -10.7261
-10.5873 -10.5722 -10.3685 -10.3585 -9.7080 -9.6892 -9.5281 -9.4245
-1.0584 -1.0526 -0.9175 -0.9126 1.1337 1.1647 1.4145 1.4599
1.6845 1.6917 1.7184 1.7422 1.8763 1.8809 1.9222 1.9297
2.4548 2.4622 2.6579 2.6718 2.7977 2.8023 2.8225 2.8269
9.4380 9.4545 9.5388 9.5499 10.0780 10.0862 10.6101 10.6284
10.8793 10.9014
k = 0.2026 0.3509-0.0000 ( 5439 PWs) bands (ev):
-28.9575 -28.9575 -28.9571 -28.9571 -13.9931 -13.9879 -13.9414 -13.9346
-11.9211 -11.8291 -11.6042 -11.6035 -11.0126 -10.8329 -10.7268 -10.7216
-10.5842 -10.5727 -10.3731 -10.3624 -9.7137 -9.6995 -9.5267 -9.4215
-1.0584 -1.0527 -0.9264 -0.9211 1.1276 1.1566 1.4361 1.4822
1.6969 1.7051 1.7307 1.7525 1.8863 1.8873 1.9345 1.9400
2.4511 2.4586 2.6442 2.6570 2.8019 2.8061 2.8175 2.8223
9.4423 9.4588 9.5287 9.5396 10.0107 10.0193 10.6029 10.6204
10.8726 10.8951
k = 0.1961 0.3396-0.0000 ( 5439 PWs) bands (ev):
-28.9582 -28.9582 -28.9578 -28.9578 -13.9862 -13.9808 -13.9355 -13.9284
-11.9220 -11.8274 -11.6063 -11.6034 -11.0179 -10.8280 -10.7279 -10.7126
-10.5807 -10.5724 -10.3777 -10.3664 -9.7195 -9.7097 -9.5253 -9.4188
-1.0583 -1.0525 -0.9359 -0.9302 1.1222 1.1494 1.4584 1.5055
1.7090 1.7189 1.7437 1.7631 1.8938 1.8959 1.9473 1.9511
2.4483 2.4559 2.6300 2.6419 2.8002 2.8038 2.8168 2.8222
9.4484 9.4651 9.5159 9.5265 9.9392 9.9482 10.6002 10.6170
10.8670 10.8900
k = 0.1895 0.3283-0.0000 ( 5441 PWs) bands (ev):
-28.9590 -28.9590 -28.9585 -28.9585 -13.9791 -13.9736 -13.9293 -13.9220
-11.9229 -11.8261 -11.6082 -11.6031 -11.0228 -10.8235 -10.7296 -10.7042
-10.5766 -10.5714 -10.3821 -10.3707 -9.7254 -9.7199 -9.5239 -9.4166
-1.0578 -1.0521 -0.9459 -0.9398 1.1177 1.1430 1.4812 1.5296
1.7206 1.7329 1.7574 1.7742 1.9007 1.9054 1.9605 1.9630
2.4463 2.4541 2.6155 2.6264 2.7929 2.7963 2.8202 2.8257
9.4561 9.4730 9.5004 9.5109 9.8645 9.8740 10.6015 10.6180
10.8626 10.8858
k = 0.1830 0.3170-0.0000 ( 5441 PWs) bands (ev):
-28.9597 -28.9597 -28.9592 -28.9592 -13.9717 -13.9662 -13.9228 -13.9153
-11.9240 -11.8249 -11.6102 -11.6027 -11.0273 -10.8192 -10.7316 -10.6965
-10.5722 -10.5697 -10.3864 -10.3752 -9.7313 -9.7300 -9.5226 -9.4148
-1.0570 -1.0514 -0.9562 -0.9498 1.1142 1.1376 1.5041 1.5542
1.7316 1.7468 1.7715 1.7859 1.9081 1.9149 1.9741 1.9758
2.4451 2.4529 2.6010 2.6109 2.7832 2.7866 2.8244 2.8299
9.4646 9.4821 9.4829 9.4930 9.7876 9.7978 10.6062 10.6227
10.8594 10.8827
k = 0.1765 0.3057-0.0000 ( 5437 PWs) bands (ev):
-28.9605 -28.9605 -28.9600 -28.9600 -13.9642 -13.9587 -13.9161 -13.9085
-11.9250 -11.8240 -11.6120 -11.6023 -11.0313 -10.8151 -10.7340 -10.6896
-10.5676 -10.5674 -10.3906 -10.3800 -9.7400 -9.7372 -9.5212 -9.4133
-1.0560 -1.0505 -0.9671 -0.9603 1.1117 1.1332 1.5269 1.5789
1.7421 1.7605 1.7859 1.7983 1.9162 1.9247 1.9884 1.9894
2.4445 2.4522 2.5866 2.5955 2.7722 2.7756 2.8284 2.8339
9.4617 9.4727 9.4738 9.4910 9.7106 9.7218 10.6137 10.6306
10.8574 10.8805
k = 0.1699 0.2943-0.0000 ( 5441 PWs) bands (ev):
-28.9613 -28.9613 -28.9608 -28.9608 -13.9564 -13.9511 -13.9090 -13.9015
-11.9260 -11.8233 -11.6140 -11.6020 -11.0347 -10.8112 -10.7366 -10.6833
-10.5647 -10.5628 -10.3948 -10.3851 -9.7496 -9.7430 -9.5198 -9.4122
-1.0548 -1.0494 -0.9783 -0.9712 1.1102 1.1299 1.5491 1.6033
1.7524 1.7738 1.8003 1.8115 1.9254 1.9348 2.0034 2.0039
2.4443 2.4519 2.5728 2.5805 2.7600 2.7634 2.8320 2.8374
9.4405 9.4510 9.4756 9.4935 9.6399 9.6516 10.6229 10.6407
10.8567 10.8794
k = 0.1634 0.2830-0.0000 ( 5445 PWs) bands (ev):
-28.9621 -28.9621 -28.9615 -28.9615 -13.9485 -13.9435 -13.9018 -13.8944
-11.9268 -11.8227 -11.6159 -11.6018 -11.0376 -10.8076 -10.7393 -10.6776
-10.5615 -10.5581 -10.3989 -10.3906 -9.7590 -9.7488 -9.5183 -9.4114
-1.0533 -1.0481 -0.9898 -0.9824 1.1098 1.1278 1.5704 1.6270
1.7624 1.7862 1.8143 1.8255 1.9358 1.9457 2.0193 2.0194
2.4442 2.4515 2.5598 2.5662 2.7468 2.7502 2.8351 2.8405
9.4173 9.4279 9.4570 9.4701 9.5955 9.6028 10.6330 10.6522
10.8575 10.8792
k = 0.1569 0.2717-0.0000 ( 5459 PWs) bands (ev):
-28.9629 -28.9629 -28.9623 -28.9623 -13.9405 -13.9357 -13.8944 -13.8872
-11.9273 -11.8221 -11.6180 -11.6018 -11.0398 -10.8042 -10.7420 -10.6725
-10.5582 -10.5534 -10.4030 -10.3965 -9.7679 -9.7543 -9.5168 -9.4109
-1.0516 -1.0467 -1.0015 -0.9940 1.1105 1.1268 1.5905 1.6493
1.7723 1.7977 1.8277 1.8402 1.9478 1.9574 2.0361 2.0361
2.4437 2.4504 2.5486 2.5534 2.7325 2.7359 2.8378 2.8430
9.3920 9.4035 9.4037 9.4077 9.5905 9.5912 10.6430 10.6642
10.8597 10.8801
k = 0.1503 0.2604-0.0000 ( 5459 PWs) bands (ev):
-28.9637 -28.9637 -28.9631 -28.9631 -13.9323 -13.9280 -13.8868 -13.8800
-11.9276 -11.8215 -11.6203 -11.6020 -11.0413 -10.8009 -10.7448 -10.6678
-10.5547 -10.5491 -10.4073 -10.4029 -9.7764 -9.7597 -9.5152 -9.4107
-1.0498 -1.0451 -1.0135 -1.0058 1.1124 1.1270 1.6092 1.6700
1.7820 1.8079 1.8404 1.8555 1.9615 1.9702 2.0540 2.0541
2.4421 2.4478 2.5398 2.5428 2.7172 2.7208 2.8401 2.8451
9.3257 9.3268 9.3685 9.3786 9.6014 9.6062 10.6518 10.6756
10.8636 10.8820
k = 0.1438 0.2491-0.0000 ( 5449 PWs) bands (ev):
-28.9645 -28.9645 -28.9639 -28.9639 -13.9240 -13.9203 -13.8792 -13.8729
-11.9274 -11.8208 -11.6228 -11.6026 -11.0421 -10.7977 -10.7473 -10.6636
-10.5512 -10.5450 -10.4117 -10.4097 -9.7843 -9.7648 -9.5134 -9.4108
-1.0478 -1.0435 -1.0255 -1.0178 1.1155 1.1285 1.6263 1.6886
1.7914 1.8169 1.8525 1.8710 1.9769 1.9842 2.0731 2.0734
2.4386 2.4431 2.5345 2.5353 2.7011 2.7047 2.8419 2.8467
9.2404 9.2415 9.3425 9.3528 9.6220 9.6286 10.6589 10.6857
10.8686 10.8846
k = 0.1373 0.2377-0.0000 ( 5447 PWs) bands (ev):
-28.9653 -28.9653 -28.9647 -28.9647 -13.9157 -13.9126 -13.8715 -13.8658
-11.9267 -11.8200 -11.6255 -11.6034 -11.0421 -10.7946 -10.7498 -10.6598
-10.5479 -10.5415 -10.4169 -10.4163 -9.7917 -9.7697 -9.5116 -9.4111
-1.0458 -1.0427 -1.0366 -1.0299 1.1197 1.1312 1.6419 1.7049
1.8003 1.8244 1.8641 1.8863 1.9939 1.9994 2.0933 2.0942
2.4327 2.4359 2.5317 2.5330 2.6841 2.6878 2.8433 2.8479
9.1519 9.1540 9.3161 9.3265 9.6479 9.6552 10.6637 10.6937
10.8743 10.8875
k = 0.1307 0.2264-0.0000 ( 5443 PWs) bands (ev):
-28.9661 -28.9661 -28.9655 -28.9655 -13.9073 -13.9049 -13.8639 -13.8589
-11.9256 -11.8190 -11.6285 -11.6047 -11.0413 -10.7916 -10.7520 -10.6562
-10.5447 -10.5384 -10.4246 -10.4211 -9.7983 -9.7744 -9.5096 -9.4117
-1.0511 -1.0444 -1.0413 -1.0386 1.1250 1.1350 1.6560 1.7191
1.8081 1.8306 1.8753 1.9011 2.0122 2.0156 2.1147 2.1162
2.4243 2.4266 2.5322 2.5351 2.6663 2.6701 2.8444 2.8488
9.0625 9.0652 9.2893 9.2999 9.6774 9.6849 10.6660 10.6991
10.8796 10.8897
k = 0.1242 0.2151-0.0000 ( 5443 PWs) bands (ev):
-28.9669 -28.9669 -28.9663 -28.9663 -13.8990 -13.8973 -13.8564 -13.8521
-11.9238 -11.8178 -11.6319 -11.6064 -11.0397 -10.7885 -10.7541 -10.6530
-10.5419 -10.5359 -10.4327 -10.4264 -9.8043 -9.7787 -9.5074 -9.4125
-1.0630 -1.0547 -1.0411 -1.0369 1.1315 1.1401 1.6688 1.7314
1.8147 1.8355 1.8863 1.9149 2.0315 2.0327 2.1368 2.1393
2.4142 2.4161 2.5363 2.5401 2.6481 2.6518 2.8452 2.8493
8.9731 8.9761 9.2624 9.2730 9.7099 9.7174 10.6661 10.7018
10.8831 10.8899
k = 0.1176 0.2038-0.0000 ( 5445 PWs) bands (ev):
-28.9677 -28.9677 -28.9670 -28.9670 -13.8907 -13.8899 -13.8490 -13.8456
-11.9215 -11.8163 -11.6357 -11.6086 -11.0373 -10.7855 -10.7559 -10.6499
-10.5393 -10.5340 -10.4411 -10.4320 -9.8096 -9.7827 -9.5052 -9.4134
-1.0751 -1.0668 -1.0389 -1.0350 1.1390 1.1463 1.6805 1.7421
1.8199 1.8392 1.8969 1.9276 2.0503 2.0514 2.1592 2.1629
2.4033 2.4052 2.5435 2.5474 2.6297 2.6330 2.8457 2.8496
8.8843 8.8875 9.2353 9.2459 9.7451 9.7523 10.6643 10.7019
10.8836 10.8868
k = 0.1111 0.1925-0.0000 ( 5447 PWs) bands (ev):
-28.9685 -28.9685 -28.9678 -28.9678 -13.8825 -13.8825 -13.8418 -13.8393
-11.9186 -11.8144 -11.6399 -11.6112 -11.0340 -10.7824 -10.7575 -10.6471
-10.5372 -10.5326 -10.4499 -10.4381 -9.8142 -9.7865 -9.5027 -9.4145
-1.0870 -1.0788 -1.0366 -1.0330 1.1476 1.1536 1.6912 1.7516
1.8239 1.8420 1.9069 1.9390 2.0682 2.0715 2.1812 2.1863
2.3927 2.3948 2.5531 2.5558 2.6122 2.6140 2.8460 2.8496
8.7966 8.7999 9.2081 9.2187 9.7826 9.7895 10.6610 10.6997
10.8790 10.8797
k = 0.1046 0.1811-0.0000 ( 5445 PWs) bands (ev):
-28.9692 -28.9692 -28.9685 -28.9685 -13.8753 -13.8743 -13.8348 -13.8333
-11.9149 -11.8121 -11.6445 -11.6144 -11.0298 -10.7794 -10.7589 -10.6444
-10.5355 -10.5318 -10.4588 -10.4447 -9.8180 -9.7899 -9.5001 -9.4158
-1.0987 -1.0906 -1.0344 -1.0310 1.1571 1.1620 1.7011 1.7601
1.8267 1.8440 1.9162 1.9489 2.0860 2.0916 2.2017 2.2082
2.3833 2.3859 2.5617 2.5644 2.5954 2.5989 2.8460 2.8493
8.7105 8.7138 9.1809 9.1914 9.8222 9.8286 10.6567 10.6956
10.8656 10.8707
k = 0.0980 0.1698-0.0000 ( 5457 PWs) bands (ev):
-28.9699 -28.9699 -28.9692 -28.9692 -13.8683 -13.8664 -13.8282 -13.8277
-11.9107 -11.8095 -11.6496 -11.6180 -11.0248 -10.7767 -10.7597 -10.6419
-10.5343 -10.5315 -10.4679 -10.4517 -9.8211 -9.7930 -9.4974 -9.4172
-1.1101 -1.1022 -1.0321 -1.0290 1.1675 1.1713 1.7104 1.7678
1.8286 1.8452 1.9246 1.9575 2.1034 2.1112 2.2195 2.2273
2.3766 2.3795 2.5563 2.5694 2.5852 2.5990 2.8458 2.8489
8.6265 8.6297 9.1539 9.1642 9.8639 9.8697 10.6518 10.6900
10.8468 10.8561
k = 0.0915 0.1585-0.0000 ( 5463 PWs) bands (ev):
-28.9706 -28.9706 -28.9699 -28.9699 -13.8614 -13.8585 -13.8224 -13.8218
-11.9057 -11.8064 -11.6553 -11.6222 -11.0190 -10.7749 -10.7594 -10.6395
-10.5335 -10.5317 -10.4771 -10.4593 -9.8235 -9.7958 -9.4946 -9.4187
-1.1210 -1.1134 -1.0300 -1.0271 1.1787 1.1814 1.7191 1.7749
1.8298 1.8460 1.9320 1.9647 2.1198 2.1299 2.2333 2.2419
2.3737 2.3764 2.5414 2.5539 2.5981 2.6107 2.8455 2.8483
8.5450 8.5481 9.1271 9.1372 9.9074 9.9125 10.6468 10.6832
10.8240 10.8363
k = 0.0850 0.1472-0.0000 ( 5469 PWs) bands (ev):
-28.9713 -28.9712 -28.9705 -28.9705 -13.8548 -13.8510 -13.8175 -13.8159
-11.9001 -11.8028 -11.6614 -11.6268 -11.0124 -10.7748 -10.7574 -10.6373
-10.5332 -10.5323 -10.4862 -10.4673 -9.8253 -9.7983 -9.4916 -9.4204
-1.1316 -1.1243 -1.0279 -1.0253 1.1905 1.1923 1.7274 1.7814
1.8305 1.8464 1.9383 1.9706 2.1349 2.1471 2.2422 2.2507
2.3757 2.3773 2.5244 2.5362 2.6156 2.6270 2.8451 2.8477
8.4664 8.4694 9.1007 9.1104 9.9524 9.9568 10.6421 10.6757
10.7993 10.8127
k = 0.0784 0.1358-0.0000 ( 5459 PWs) bands (ev):
-28.9719 -28.9719 -28.9711 -28.9711 -13.8484 -13.8436 -13.8131 -13.8104
-11.8938 -11.7988 -11.6681 -11.6319 -11.0049 -10.7764 -10.7537 -10.6352
-10.5333 -10.5332 -10.4950 -10.4757 -9.8265 -9.8006 -9.4885 -9.4221
-1.1416 -1.1346 -1.0260 -1.0235 1.2027 1.2038 1.7354 1.7874
1.8311 1.8465 1.9437 1.9753 2.1482 2.1624 2.2462 2.2539
2.3819 2.3822 2.5081 2.5193 2.6351 2.6457 2.8446 2.8469
8.3913 8.3941 9.0749 9.0841 9.9990 10.0023 10.6379 10.6679
10.7745 10.7873
k = 0.0719 0.1245-0.0000 ( 5459 PWs) bands (ev):
-28.9724 -28.9724 -28.9717 -28.9717 -13.8422 -13.8366 -13.8090 -13.8053
-11.8869 -11.7943 -11.6752 -11.6375 -10.9966 -10.7793 -10.7487 -10.6334
-10.5346 -10.5338 -10.5036 -10.4844 -9.8272 -9.8026 -9.4854 -9.4240
-1.1510 -1.1444 -1.0241 -1.0219 1.2154 1.2158 1.7430 1.7928
1.8316 1.8465 1.9480 1.9788 2.1591 2.1751 2.2467 2.2530
2.3886 2.3915 2.4937 2.5042 2.6560 2.6657 2.8440 2.8462
8.3200 8.3226 9.0498 9.0586 10.0466 10.0490 10.6346 10.6600
10.7508 10.7617
k = 0.0654 0.1132-0.0000 ( 5465 PWs) bands (ev):
-28.9730 -28.9730 -28.9722 -28.9722 -13.8363 -13.8298 -13.8055 -13.8007
-11.8793 -11.7894 -11.6829 -11.6436 -10.9876 -10.7833 -10.7428 -10.6319
-10.5361 -10.5347 -10.5117 -10.4934 -9.8274 -9.8044 -9.4822 -9.4259
-1.1597 -1.1536 -1.0224 -1.0204 1.2279 1.2281 1.7502 1.7973
1.8324 1.8465 1.9515 1.9812 2.1673 2.1844 2.2451 2.2498
2.3958 2.4016 2.4822 2.4915 2.6775 2.6865 2.8435 2.8455
8.2530 8.2555 9.0257 9.0339 10.0953 10.0965 10.6320 10.6521
10.7291 10.7373
k = 0.0588 0.1019-0.0000 ( 5461 PWs) bands (ev):
-28.9735 -28.9735 -28.9727 -28.9727 -13.8308 -13.8234 -13.8024 -13.7967
-11.8712 -11.7840 -11.6911 -11.6500 -10.9780 -10.7882 -10.7363 -10.6307
-10.5379 -10.5359 -10.5192 -10.5023 -9.8272 -9.8060 -9.4789 -9.4279
-1.1678 -1.1622 -1.0208 -1.0190 1.2401 1.2407 1.7571 1.8010
1.8338 1.8465 1.9542 1.9826 2.1726 2.1899 2.2428 2.2457
2.4019 2.4108 2.4746 2.4819 2.6992 2.7074 2.8432 2.8449
8.1908 8.1930 9.0029 9.0104 10.1446 10.1446 10.6301 10.6441
10.7103 10.7148
k = 0.0523 0.0906-0.0000 ( 5465 PWs) bands (ev):
-28.9739 -28.9739 -28.9731 -28.9731 -13.8256 -13.8174 -13.7999 -13.7932
-11.8625 -11.7782 -11.6997 -11.6568 -10.9676 -10.7941 -10.7291 -10.6300
-10.5398 -10.5374 -10.5259 -10.5111 -9.8267 -9.8075 -9.4757 -9.4301
-1.1751 -1.1700 -1.0193 -1.0177 1.2521 1.2531 1.7637 1.8035
1.8358 1.8467 1.9562 1.9830 2.1750 2.1917 2.2401 2.2412
2.4063 2.4181 2.4714 2.4760 2.7203 2.7277 2.8431 2.8447
8.1337 8.1358 8.9815 8.9884 10.1930 10.1943 10.6285 10.6358
10.6949 10.6950
k = 0.0458 0.0792-0.0000 ( 5467 PWs) bands (ev):
-28.9743 -28.9743 -28.9735 -28.9735 -13.8207 -13.8119 -13.7978 -13.7903
-11.8534 -11.7719 -11.7087 -11.6640 -10.9567 -10.8010 -10.7215 -10.6300
-10.5417 -10.5392 -10.5319 -10.5195 -9.8260 -9.8089 -9.4724 -9.4323
-1.1816 -1.1771 -1.0180 -1.0166 1.2636 1.2648 1.7698 1.8050
1.8384 1.8471 1.9576 1.9826 2.1752 2.1906 2.2367 2.2369
2.4093 2.4229 2.4719 2.4742 2.7400 2.7465 2.8435 2.8449
8.0823 8.0841 8.9620 8.9680 10.2413 10.2440 10.6264 10.6271
10.6789 10.6832
k = 0.0392 0.0679-0.0000 ( 5461 PWs) bands (ev):
-28.9747 -28.9747 -28.9739 -28.9739 -13.8161 -13.8068 -13.7963 -13.7880
-11.8438 -11.7653 -11.7182 -11.6715 -10.9454 -10.8088 -10.7133 -10.6308
-10.5437 -10.5412 -10.5369 -10.5272 -9.8250 -9.8102 -9.4691 -9.4346
-1.1873 -1.1834 -1.0168 -1.0157 1.2745 1.2758 1.7755 1.8055
1.8413 1.8477 1.9587 1.9814 2.1737 2.1876 2.2320 2.2329
2.4119 2.4255 2.4747 2.4756 2.7576 2.7632 2.8446 2.8458
8.0368 8.0383 8.9444 8.9497 10.2892 10.2934 10.6183 10.6227
10.6676 10.6750
k = 0.0327 0.0566-0.0000 ( 5473 PWs) bands (ev):
-28.9750 -28.9750 -28.9742 -28.9742 -13.8120 -13.8021 -13.7952 -13.7862
-11.8339 -11.7583 -11.7280 -11.6792 -10.9336 -10.8175 -10.7048 -10.6327
-10.5455 -10.5434 -10.5408 -10.5340 -9.8239 -9.8114 -9.4658 -9.4370
-1.1922 -1.1888 -1.0158 -1.0149 1.2843 1.2856 1.7806 1.8054
1.8444 1.8486 1.9596 1.9796 2.1715 2.1837 2.2272 2.2282
2.4145 2.4269 2.4785 2.4788 2.7724 2.7770 2.8466 2.8476
7.9976 7.9989 8.9292 8.9336 10.3363 10.3420 10.6097 10.6165
10.6615 10.6698
k = 0.0261 0.0453-0.0000 ( 5473 PWs) bands (ev):
-28.9753 -28.9752 -28.9744 -28.9744 -13.8083 -13.7980 -13.7947 -13.7851
-11.8236 -11.7510 -11.7382 -11.6871 -10.9215 -10.8271 -10.6960 -10.6359
-10.5472 -10.5459 -10.5436 -10.5396 -9.8227 -9.8126 -9.4626 -9.4395
-1.1961 -1.1934 -1.0150 -1.0142 1.2928 1.2940 1.7853 1.8048
1.8472 1.8496 1.9604 1.9772 2.1692 2.1794 2.2226 2.2233
2.4175 2.4277 2.4825 2.4825 2.7838 2.7874 2.8496 2.8502
7.9651 7.9662 8.9164 8.9200 10.3820 10.3891 10.6021 10.6090
10.6596 10.6666
k = 0.0196 0.0340-0.0000 ( 5465 PWs) bands (ev):
-28.9754 -28.9754 -28.9746 -28.9746 -13.8049 -13.7947 -13.7943 -13.7846
-11.8131 -11.7486 -11.7434 -11.6951 -10.9091 -10.8375 -10.6871 -10.6403
-10.5487 -10.5481 -10.5456 -10.5438 -9.8214 -9.8138 -9.4595 -9.4421
-1.1991 -1.1970 -1.0143 -1.0138 1.2998 1.3008 1.7894 1.8038
1.8496 1.8506 1.9615 1.9746 2.1672 2.1753 2.2185 2.2189
2.4204 2.4282 2.4860 2.4860 2.7920 2.7945 2.8533 2.8536
7.9396 7.9404 8.9064 8.9091 10.4254 10.4336 10.5960 10.6017
10.6597 10.6649
k = 0.0131 0.0226-0.0000 ( 5467 PWs) bands (ev):
-28.9756 -28.9756 -28.9747 -28.9747 -13.8021 -13.7952 -13.7913 -13.7848
-11.8024 -11.7592 -11.7356 -11.7032 -10.8967 -10.8485 -10.6781 -10.6461
-10.5498 -10.5497 -10.5472 -10.5466 -9.8201 -9.8150 -9.4564 -9.4448
-1.2011 -1.1997 -1.0138 -1.0134 1.3051 1.3058 1.7929 1.8024
1.8513 1.8516 1.9628 1.9718 2.1659 2.1715 2.2153 2.2154
2.4231 2.4283 2.4887 2.4887 2.7972 2.7988 2.8568 2.8569
7.9212 7.9218 8.8993 8.9011 10.4649 10.4732 10.5918 10.5957
10.6607 10.6640
k = 0.0065 0.0113-0.0000 ( 5467 PWs) bands (ev):
-28.9757 -28.9757 -28.9748 -28.9748 -13.7996 -13.7962 -13.7887 -13.7855
-11.7916 -11.7699 -11.7277 -11.7114 -10.8843 -10.8601 -10.6693 -10.6530
-10.5506 -10.5506 -10.5482 -10.5482 -9.8188 -9.8163 -9.4533 -9.4475
-1.2022 -1.2015 -1.0135 -1.0133 1.3084 1.3087 1.7959 1.8006
1.8523 1.8524 1.9645 1.9691 2.1657 2.1686 2.2133 2.2133
2.4254 2.4280 2.4904 2.4904 2.8001 2.8009 2.8592 2.8593
7.9102 7.9105 8.8951 8.8960 10.4966 10.5028 10.5896 10.5916
10.6617 10.6635
k = 0.0000 0.0000 0.0000 ( 5483 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7977 -13.7977 -13.7868 -13.7868
-11.7808 -11.7808 -11.7196 -11.7196 -10.8720 -10.8720 -10.6609 -10.6609
-10.5509 -10.5509 -10.5486 -10.5486 -9.8175 -9.8175 -9.4504 -9.4504
-1.2024 -1.2024 -1.0133 -1.0133 1.3096 1.3096 1.7985 1.7985
1.8526 1.8526 1.9666 1.9666 2.1666 2.1666 2.2125 2.2125
2.4270 2.4270 2.4910 2.4910 2.8013 2.8013 2.8601 2.8601
7.9066 7.9066 8.8940 8.8940 10.5122 10.5122 10.5895 10.5895
10.6622 10.6628
k = 0.0000 0.0000 0.0000 ( 5483 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7977 -13.7977 -13.7868 -13.7868
-11.7808 -11.7808 -11.7196 -11.7196 -10.8720 -10.8720 -10.6609 -10.6609
-10.5509 -10.5509 -10.5486 -10.5486 -9.8175 -9.8175 -9.4504 -9.4504
-1.2024 -1.2024 -1.0133 -1.0133 1.3096 1.3096 1.7985 1.7985
1.8526 1.8526 1.9666 1.9666 2.1666 2.1666 2.2125 2.2125
2.4270 2.4270 2.4910 2.4910 2.8013 2.8013 2.8601 2.8601
7.9066 7.9066 8.8940 8.8940 10.5122 10.5122 10.5895 10.5895
10.6622 10.6623
k = 0.0000 0.0000 0.0130 ( 5465 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7976 -13.7976 -13.7868 -13.7868
-11.7806 -11.7806 -11.7197 -11.7197 -10.8717 -10.8717 -10.6616 -10.6616
-10.5509 -10.5509 -10.5486 -10.5486 -9.8164 -9.8164 -9.4511 -9.4511
-1.2020 -1.2020 -1.0138 -1.0138 1.3111 1.3111 1.7990 1.7990
1.8532 1.8532 1.9651 1.9651 2.1644 2.1644 2.2105 2.2105
2.4292 2.4292 2.4931 2.4931 2.8007 2.8007 2.8596 2.8596
7.9101 7.9101 8.8950 8.8950 10.5078 10.5078 10.5755 10.5755
10.6623 10.6625
k = 0.0000 0.0000 0.0260 ( 5471 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7976 -13.7976 -13.7869 -13.7869
-11.7802 -11.7802 -11.7201 -11.7201 -10.8706 -10.8706 -10.6639 -10.6639
-10.5508 -10.5508 -10.5487 -10.5487 -9.8130 -9.8130 -9.4534 -9.4534
-1.2008 -1.2008 -1.0155 -1.0155 1.3157 1.3157 1.8004 1.8004
1.8548 1.8548 1.9603 1.9603 2.1583 2.1583 2.2046 2.2046
2.4354 2.4354 2.4991 2.4991 2.7990 2.7990 2.8579 2.8579
7.9206 7.9206 8.8979 8.8979 10.4948 10.4948 10.5357 10.5357
10.6624 10.6630
k = 0.0000 0.0000 0.0390 ( 5483 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7974 -13.7974 -13.7871 -13.7871
-11.7794 -11.7794 -11.7208 -11.7208 -10.8689 -10.8689 -10.6676 -10.6676
-10.5508 -10.5508 -10.5487 -10.5487 -9.8075 -9.8075 -9.4570 -9.4570
-1.1989 -1.1989 -1.0182 -1.0182 1.3233 1.3233 1.8026 1.8026
1.8575 1.8575 1.9526 1.9526 2.1487 2.1487 2.1953 2.1953
2.4452 2.4452 2.5085 2.5085 2.7962 2.7962 2.8551 2.8551
7.9379 7.9379 8.9024 8.9024 10.4736 10.4736 10.4758 10.4758
10.6627 10.6632
k = 0.0000 0.0000 0.0521 ( 5471 PWs) bands (ev):
-28.9757 -28.9757 -28.9749 -28.9749 -13.7972 -13.7972 -13.7872 -13.7872
-11.7784 -11.7784 -11.7218 -11.7218 -10.8664 -10.8664 -10.6727 -10.6727
-10.5508 -10.5508 -10.5487 -10.5487 -9.7999 -9.7999 -9.4622 -9.4622
-1.1962 -1.1962 -1.0219 -1.0219 1.3338 1.3338 1.8057 1.8057
1.8613 1.8613 1.9420 1.9420 2.1363 2.1363 2.1833 2.1833
2.4578 2.4578 2.5207 2.5207 2.7922 2.7922 2.8512 2.8512
7.9621 7.9621 8.9081 8.9081 10.4025 10.4025 10.4448 10.4448
10.6632 10.6648
k = 0.0000 0.0000 0.0651 ( 5459 PWs) bands (ev):
-28.9756 -28.9756 -28.9749 -28.9749 -13.7970 -13.7970 -13.7874 -13.7874
-11.7770 -11.7770 -11.7230 -11.7230 -10.8632 -10.8632 -10.6790 -10.6790
-10.5507 -10.5507 -10.5488 -10.5488 -9.7904 -9.7904 -9.4687 -9.4687
-1.1928 -1.1928 -1.0265 -1.0265 1.3471 1.3471 1.8094 1.8094
1.8661 1.8661 1.9288 1.9288 2.1219 2.1219 2.1692 2.1692
2.4726 2.4726 2.5350 2.5350 2.7872 2.7872 2.8462 2.8462
7.9928 7.9928 8.9144 8.9144 10.3214 10.3214 10.4093 10.4093
10.6644 10.6650
k = 0.0000 0.0000 0.0781 ( 5447 PWs) bands (ev):
-28.9756 -28.9756 -28.9749 -28.9749 -13.7967 -13.7967 -13.7877 -13.7877
-11.7754 -11.7754 -11.7245 -11.7245 -10.8593 -10.8593 -10.6864 -10.6864
-10.5507 -10.5507 -10.5488 -10.5488 -9.7792 -9.7792 -9.4766 -9.4766
-1.1887 -1.1887 -1.0321 -1.0321 1.3631 1.3631 1.8134 1.8134
1.8720 1.8720 1.9135 1.9135 2.1061 2.1061 2.1537 2.1537
2.4888 2.4888 2.5508 2.5508 2.7810 2.7810 2.8402 2.8402
8.0297 8.0297 8.9203 8.9203 10.2374 10.2374 10.3681 10.3681
10.6650 10.6656
k = 0.0000 0.0000 0.0911 ( 5441 PWs) bands (ev):
-28.9756 -28.9756 -28.9749 -28.9749 -13.7964 -13.7964 -13.7880 -13.7880
-11.7736 -11.7736 -11.7262 -11.7262 -10.8548 -10.8548 -10.6947 -10.6947
-10.5506 -10.5506 -10.5489 -10.5489 -9.7664 -9.7664 -9.4858 -9.4858
-1.1839 -1.1839 -1.0385 -1.0385 1.3816 1.3816 1.8169 1.8169
1.8789 1.8789 1.8972 1.8972 2.0893 2.0893 2.1371 2.1371
2.5061 2.5061 2.5678 2.5678 2.7738 2.7738 2.8330 2.8330
8.0727 8.0727 8.9245 8.9245 10.1544 10.1544 10.3222 10.3222
10.6665 10.6670
k = 0.0000 0.0000 0.1041 ( 5453 PWs) bands (ev):
-28.9756 -28.9756 -28.9750 -28.9750 -13.7960 -13.7960 -13.7884 -13.7884
-11.7715 -11.7715 -11.7282 -11.7282 -10.8495 -10.8495 -10.7038 -10.7038
-10.5505 -10.5505 -10.5490 -10.5490 -9.7523 -9.7523 -9.4962 -9.4962
-1.1785 -1.1785 -1.0456 -1.0456 1.4025 1.4025 1.8179 1.8179
1.8819 1.8819 1.8869 1.8869 2.0719 2.0719 2.1198 2.1198
2.5240 2.5240 2.5854 2.5854 2.7655 2.7655 2.8248 2.8248
8.1214 8.1214 8.9254 8.9254 10.0760 10.0760 10.2729 10.2729
10.6680 10.6688
k = 0.0000 0.0000 0.1171 ( 5447 PWs) bands (ev):
-28.9755 -28.9755 -28.9750 -28.9750 -13.7956 -13.7956 -13.7888 -13.7888
-11.7692 -11.7692 -11.7304 -11.7304 -10.8436 -10.8436 -10.7134 -10.7134
-10.5505 -10.5505 -10.5490 -10.5490 -9.7370 -9.7370 -9.5079 -9.5079
-1.1724 -1.1724 -1.0533 -1.0533 1.4255 1.4255 1.8122 1.8122
1.8722 1.8722 1.8958 1.8958 2.0542 2.0542 2.1022 2.1022
2.5422 2.5422 2.6034 2.6034 2.7562 2.7562 2.8156 2.8156
8.1752 8.1752 8.9211 8.9211 10.0055 10.0055 10.2211 10.2211
10.6701 10.6705
k = 0.0000 0.0000 0.1301 ( 5447 PWs) bands (ev):
-28.9755 -28.9755 -28.9750 -28.9750 -13.7952 -13.7952 -13.7892 -13.7892
-11.7668 -11.7668 -11.7327 -11.7327 -10.8371 -10.8371 -10.7236 -10.7236
-10.5504 -10.5504 -10.5491 -10.5491 -9.7208 -9.7208 -9.5206 -9.5206
-1.1657 -1.1657 -1.0615 -1.0615 1.4505 1.4505 1.7967 1.7967
1.8712 1.8712 1.9057 1.9057 2.0364 2.0364 2.0844 2.0844
2.5606 2.5606 2.6216 2.6216 2.7459 2.7459 2.8054 2.8054
8.2336 8.2336 8.9094 8.9094 9.9459 9.9459 10.1681 10.1681
10.6726 10.6729
k = 0.0000 0.0000 0.1431 ( 5453 PWs) bands (ev):
-28.9755 -28.9755 -28.9751 -28.9751 -13.7947 -13.7947 -13.7896 -13.7896
-11.7641 -11.7641 -11.7352 -11.7352 -10.8300 -10.8300 -10.7340 -10.7340
-10.5503 -10.5503 -10.5492 -10.5492 -9.7039 -9.7039 -9.5345 -9.5345
-1.1585 -1.1585 -1.0701 -1.0701 1.4772 1.4772 1.7741 1.7741
1.8768 1.8768 1.9165 1.9165 2.0188 2.0188 2.0667 2.0667
2.5789 2.5789 2.6397 2.6397 2.7346 2.7346 2.7942 2.7942
8.2962 8.2962 8.8884 8.8884 9.9000 9.9000 10.1150 10.1150
10.6756 10.6756
k = 0.0000 0.0000 0.1562 ( 5459 PWs) bands (ev):
-28.9754 -28.9754 -28.9751 -28.9751 -13.7942 -13.7942 -13.7901 -13.7901
-11.7614 -11.7614 -11.7379 -11.7379 -10.8222 -10.8222 -10.7446 -10.7446
-10.5502 -10.5502 -10.5493 -10.5493 -9.6865 -9.6865 -9.5492 -9.5492
-1.1508 -1.1508 -1.0791 -1.0791 1.5053 1.5053 1.7476 1.7476
1.8857 1.8857 1.9283 1.9283 2.0014 2.0014 2.0492 2.0492
2.5970 2.5970 2.6577 2.6577 2.7224 2.7224 2.7821 2.7821
8.3621 8.3621 8.8570 8.8570 9.8694 9.8694 10.0630 10.0630
10.6790 10.6791
k = 0.0000 0.0000 0.1692 ( 5477 PWs) bands (ev):
-28.9754 -28.9754 -28.9752 -28.9752 -13.7938 -13.7938 -13.7906 -13.7906
-11.7585 -11.7585 -11.7407 -11.7407 -10.8139 -10.8139 -10.7552 -10.7552
-10.5501 -10.5501 -10.5494 -10.5494 -9.6688 -9.6688 -9.5648 -9.5648
-1.1426 -1.1426 -1.0883 -1.0883 1.5346 1.5346 1.7189 1.7189
1.8966 1.8966 1.9409 1.9409 1.9844 1.9844 2.0320 2.0320
2.6148 2.6148 2.6753 2.6753 2.7093 2.7093 2.7691 2.7691
8.4305 8.4305 8.8148 8.8148 9.8545 9.8545 10.0133 10.0133
10.6832 10.6835
k = 0.0000 0.0000 0.1822 ( 5489 PWs) bands (ev):
-28.9754 -28.9754 -28.9752 -28.9752 -13.7933 -13.7933 -13.7911 -13.7911
-11.7556 -11.7556 -11.7436 -11.7436 -10.8051 -10.8051 -10.7657 -10.7657
-10.5500 -10.5500 -10.5495 -10.5495 -9.6509 -9.6509 -9.5811 -9.5811
-1.1341 -1.1341 -1.0976 -1.0976 1.5649 1.5649 1.6889 1.6889
1.9090 1.9090 1.9543 1.9543 1.9679 1.9679 2.0153 2.0153
2.6321 2.6321 2.6925 2.6925 2.6954 2.6954 2.7553 2.7553
8.5003 8.5003 8.7631 8.7631 9.8548 9.8548 9.9674 9.9674
10.6874 10.6883
k = 0.0000 0.0000 0.1952 ( 5489 PWs) bands (ev):
-28.9753 -28.9753 -28.9752 -28.9752 -13.7927 -13.7927 -13.7916 -13.7916
-11.7526 -11.7526 -11.7466 -11.7466 -10.7958 -10.7958 -10.7760 -10.7760
-10.5499 -10.5499 -10.5497 -10.5497 -9.6330 -9.6330 -9.5980 -9.5980
-1.1252 -1.1252 -1.1069 -1.1069 1.5957 1.5957 1.6581 1.6581
1.9225 1.9225 1.9520 1.9520 1.9685 1.9685 1.9991 1.9991
2.6489 2.6489 2.6806 2.6806 2.7092 2.7092 2.7406 2.7406
8.5702 8.5702 8.7036 8.7036 9.8683 9.8683 9.9267 9.9267
10.6924 10.6932
k = 0.0000 0.0000 0.2082 ( 5514 PWs) bands (ev):
-28.9753 -28.9753 -28.9753 -28.9753 -13.7922 -13.7922 -13.7922 -13.7922
-11.7496 -11.7496 -11.7496 -11.7496 -10.7861 -10.7861 -10.7861 -10.7861
-10.5498 -10.5498 -10.5498 -10.5498 -9.6153 -9.6153 -9.6153 -9.6153
-1.1162 -1.1162 -1.1162 -1.1162 1.6269 1.6269 1.6269 1.6269
1.9368 1.9368 1.9368 1.9368 1.9835 1.9835 1.9835 1.9835
2.6651 2.6651 2.6651 2.6651 2.7252 2.7252 2.7252 2.7252
8.6386 8.6386 8.6386 8.6386 9.8930 9.8930 9.8930 9.8930
10.6980 10.6984
k = 0.0000 0.0000 0.2082 ( 5514 PWs) bands (ev):
-28.9753 -28.9753 -28.9753 -28.9753 -13.7922 -13.7922 -13.7922 -13.7922
-11.7496 -11.7496 -11.7496 -11.7496 -10.7861 -10.7861 -10.7861 -10.7861
-10.5498 -10.5498 -10.5498 -10.5498 -9.6153 -9.6153 -9.6153 -9.6153
-1.1162 -1.1162 -1.1162 -1.1162 1.6269 1.6269 1.6269 1.6269
1.9368 1.9368 1.9368 1.9368 1.9835 1.9835 1.9835 1.9835
2.6651 2.6651 2.6651 2.6651 2.7252 2.7252 2.7252 2.7252
8.6386 8.6386 8.6386 8.6386 9.8930 9.8930 9.8930 9.8930
10.6981 10.6981
k = 0.0114 0.0066 0.2082 ( 5490 PWs) bands (ev):
-28.9753 -28.9753 -28.9753 -28.9753 -13.7941 -13.7941 -13.7908 -13.7908
-11.7592 -11.7592 -11.7400 -11.7400 -10.7966 -10.7966 -10.7759 -10.7759
-10.5495 -10.5495 -10.5494 -10.5494 -9.6176 -9.6176 -9.6131 -9.6131
-1.1161 -1.1161 -1.1157 -1.1157 1.6246 1.6246 1.6267 1.6267
1.9358 1.9359 1.9383 1.9383 1.9838 1.9838 1.9838 1.9838
2.6644 2.6644 2.6652 2.6652 2.7249 2.7249 2.7249 2.7249
8.6409 8.6409 8.6416 8.6416 9.8924 9.8924 9.8936 9.8936
10.6959 10.6962
k = 0.0227 0.0131 0.2082 ( 5476 PWs) bands (ev):
-28.9752 -28.9752 -28.9752 -28.9752 -13.7966 -13.7966 -13.7899 -13.7899
-11.7687 -11.7686 -11.7304 -11.7304 -10.8073 -10.8073 -10.7662 -10.7662
-10.5486 -10.5486 -10.5484 -10.5484 -9.6199 -9.6199 -9.6110 -9.6110
-1.1157 -1.1157 -1.1148 -1.1148 1.6199 1.6199 1.6240 1.6240
1.9355 1.9355 1.9403 1.9403 1.9848 1.9848 1.9849 1.9849
2.6632 2.6632 2.6648 2.6648 2.7239 2.7239 2.7239 2.7239
8.6485 8.6485 8.6498 8.6498 9.8917 9.8917 9.8941 9.8941
10.6924 10.6925
k = 0.0341 0.0197 0.2082 ( 5468 PWs) bands (ev):
-28.9750 -28.9750 -28.9750 -28.9750 -13.7996 -13.7996 -13.7896 -13.7896
-11.7780 -11.7780 -11.7209 -11.7209 -10.8181 -10.8181 -10.7571 -10.7571
-10.5474 -10.5474 -10.5466 -10.5466 -9.6222 -9.6222 -9.6090 -9.6090
-1.1147 -1.1147 -1.1134 -1.1134 1.6129 1.6129 1.6188 1.6188
1.9356 1.9356 1.9424 1.9424 1.9863 1.9863 1.9867 1.9867
2.6613 2.6613 2.6638 2.6638 2.7223 2.7223 2.7224 2.7224
8.6613 8.6613 8.6633 8.6633 9.8910 9.8910 9.8945 9.8945
10.6880 10.6880
k = 0.0455 0.0262 0.2082 ( 5460 PWs) bands (ev):
-28.9748 -28.9748 -28.9748 -28.9748 -13.8031 -13.8031 -13.7899 -13.7899
-11.7871 -11.7871 -11.7116 -11.7116 -10.8288 -10.8288 -10.7489 -10.7489
-10.5458 -10.5458 -10.5439 -10.5439 -9.6246 -9.6246 -9.6070 -9.6070
-1.1133 -1.1133 -1.1116 -1.1116 1.6039 1.6039 1.6114 1.6114
1.9362 1.9362 1.9446 1.9446 1.9883 1.9883 1.9890 1.9890
2.6589 2.6589 2.6623 2.6623 2.7202 2.7202 2.7205 2.7205
8.6793 8.6793 8.6818 8.6818 9.8901 9.8901 9.8947 9.8947
10.6828 10.6828
k = 0.0568 0.0328 0.2082 ( 5448 PWs) bands (ev):
-28.9746 -28.9746 -28.9746 -28.9746 -13.8071 -13.8071 -13.7907 -13.7907
-11.7960 -11.7960 -11.7025 -11.7025 -10.8394 -10.8394 -10.7415 -10.7415
-10.5440 -10.5440 -10.5402 -10.5402 -9.6270 -9.6270 -9.6051 -9.6051
-1.1115 -1.1115 -1.1093 -1.1093 1.5933 1.5933 1.6020 1.6020
1.9371 1.9371 1.9466 1.9466 1.9904 1.9904 1.9916 1.9916
2.6559 2.6559 2.6602 2.6602 2.7178 2.7178 2.7182 2.7182
8.7022 8.7022 8.7053 8.7053 9.8891 9.8891 9.8948 9.8948
10.6771 10.6771
k = 0.0682 0.0394 0.2082 ( 5452 PWs) bands (ev):
-28.9743 -28.9743 -28.9743 -28.9743 -13.8115 -13.8115 -13.7921 -13.7921
-11.8046 -11.8046 -11.6936 -11.6936 -10.8496 -10.8496 -10.7351 -10.7351
-10.5419 -10.5419 -10.5357 -10.5357 -9.6293 -9.6293 -9.6032 -9.6032
-1.1092 -1.1092 -1.1067 -1.1067 1.5813 1.5813 1.5910 1.5910
1.9381 1.9381 1.9484 1.9484 1.9925 1.9925 1.9942 1.9942
2.6524 2.6524 2.6577 2.6577 2.7153 2.7153 2.7159 2.7159
8.7298 8.7298 8.7336 8.7336 9.8879 9.8879 9.8945 9.8945
10.6711 10.6711
k = 0.0795 0.0459 0.2082 ( 5456 PWs) bands (ev):
-28.9739 -28.9739 -28.9739 -28.9739 -13.8163 -13.8163 -13.7941 -13.7941
-11.8128 -11.8128 -11.6851 -11.6851 -10.8595 -10.8595 -10.7297 -10.7297
-10.5398 -10.5398 -10.5304 -10.5304 -9.6317 -9.6317 -9.6013 -9.6013
-1.1066 -1.1066 -1.1036 -1.1036 1.5682 1.5682 1.5786 1.5786
1.9391 1.9391 1.9499 1.9499 1.9944 1.9944 1.9966 1.9966
2.6484 2.6484 2.6547 2.6547 2.7128 2.7128 2.7137 2.7137
8.7620 8.7620 8.7663 8.7663 9.8865 9.8865 9.8939 9.8939
10.6651 10.6651
k = 0.0909 0.0525 0.2082 ( 5456 PWs) bands (ev):
-28.9735 -28.9735 -28.9735 -28.9735 -13.8216 -13.8216 -13.7966 -13.7966
-11.8205 -11.8205 -11.6769 -11.6769 -10.8688 -10.8688 -10.7252 -10.7252
-10.5375 -10.5375 -10.5242 -10.5242 -9.6340 -9.6340 -9.5995 -9.5995
-1.1035 -1.1035 -1.1002 -1.1002 1.5543 1.5543 1.5651 1.5651
1.9398 1.9398 1.9510 1.9510 1.9958 1.9958 1.9985 1.9985
2.6442 2.6442 2.6514 2.6514 2.7104 2.7104 2.7116 2.7116
8.7985 8.7985 8.8032 8.8032 9.8846 9.8846 9.8928 9.8928
10.6596 10.6596
k = 0.1023 0.0590 0.2082 ( 5456 PWs) bands (ev):
-28.9731 -28.9731 -28.9731 -28.9731 -13.8272 -13.8272 -13.7997 -13.7997
-11.8278 -11.8278 -11.6692 -11.6692 -10.8777 -10.8777 -10.7218 -10.7218
-10.5353 -10.5353 -10.5174 -10.5174 -9.6361 -9.6361 -9.5977 -9.5977
-1.1001 -1.1001 -1.0964 -1.0964 1.5397 1.5397 1.5508 1.5508
1.9401 1.9401 1.9515 1.9515 1.9967 1.9967 1.9996 1.9996
2.6398 2.6398 2.6478 2.6478 2.7083 2.7083 2.7098 2.7098
8.8388 8.8388 8.8439 8.8439 9.8824 9.8824 9.8911 9.8911
10.6547 10.6547
k = 0.1136 0.0656 0.2082 ( 5454 PWs) bands (ev):
-28.9726 -28.9726 -28.9726 -28.9726 -13.8332 -13.8332 -13.8033 -13.8033
-11.8346 -11.8346 -11.6619 -11.6619 -10.8859 -10.8859 -10.7191 -10.7191
-10.5331 -10.5331 -10.5102 -10.5102 -9.6382 -9.6382 -9.5958 -9.5958
-1.0964 -1.0964 -1.0923 -1.0923 1.5248 1.5248 1.5359 1.5359
1.9397 1.9397 1.9513 1.9513 1.9969 1.9969 1.9999 1.9999
2.6354 2.6354 2.6442 2.6442 2.7066 2.7066 2.7084 2.7084
8.8827 8.8827 8.8882 8.8882 9.8797 9.8797 9.8889 9.8889
10.6507 10.6508
k = 0.1250 0.0722 0.2082 ( 5454 PWs) bands (ev):
-28.9720 -28.9720 -28.9720 -28.9720 -13.8396 -13.8396 -13.8074 -13.8074
-11.8408 -11.8408 -11.6551 -11.6551 -10.8934 -10.8934 -10.7173 -10.7173
-10.5311 -10.5311 -10.5026 -10.5026 -9.6400 -9.6400 -9.5939 -9.5939
-1.0923 -1.0923 -1.0880 -1.0880 1.5096 1.5096 1.5206 1.5206
1.9385 1.9385 1.9502 1.9502 1.9964 1.9964 1.9993 1.9993
2.6312 2.6312 2.6407 2.6407 2.7054 2.7054 2.7073 2.7073
8.9298 8.9298 8.9355 8.9355 9.8766 9.8766 9.8861 9.8861
10.6481 10.6481
k = 0.1364 0.0787 0.2082 ( 5454 PWs) bands (ev):
-28.9715 -28.9715 -28.9715 -28.9715 -13.8462 -13.8462 -13.8120 -13.8120
-11.8464 -11.8464 -11.6488 -11.6488 -10.9003 -10.9003 -10.7161 -10.7161
-10.5292 -10.5292 -10.4949 -10.4949 -9.6416 -9.6416 -9.5920 -9.5920
-1.0880 -1.0880 -1.0834 -1.0834 1.4943 1.4943 1.5050 1.5050
1.9361 1.9361 1.9480 1.9480 1.9953 1.9953 1.9979 1.9979
2.6275 2.6275 2.6375 2.6375 2.7047 2.7047 2.7067 2.7067
8.9795 8.9795 8.9853 8.9853 9.8730 9.8730 9.8827 9.8827
10.6470 10.6470
k = 0.1477 0.0853 0.2082 ( 5450 PWs) bands (ev):
-28.9708 -28.9708 -28.9708 -28.9708 -13.8530 -13.8530 -13.8171 -13.8171
-11.8514 -11.8514 -11.6430 -11.6430 -10.9064 -10.9064 -10.7154 -10.7154
-10.5274 -10.5274 -10.4874 -10.4874 -9.6430 -9.6430 -9.5900 -9.5900
-1.0835 -1.0835 -1.0786 -1.0786 1.4791 1.4791 1.4894 1.4894
1.9322 1.9322 1.9441 1.9441 1.9939 1.9939 1.9961 1.9961
2.6243 2.6243 2.6347 2.6347 2.7044 2.7044 2.7066 2.7066
9.0312 9.0312 9.0371 9.0371 9.8691 9.8691 9.8789 9.8789
10.6477 10.6477
k = 0.1591 0.0919 0.2082 ( 5452 PWs) bands (ev):
-28.9702 -28.9702 -28.9702 -28.9702 -13.8601 -13.8601 -13.8227 -13.8227
-11.8557 -11.8557 -11.6379 -11.6379 -10.9117 -10.9117 -10.7152 -10.7152
-10.5260 -10.5260 -10.4800 -10.4800 -9.6440 -9.6440 -9.5880 -9.5880
-1.0787 -1.0787 -1.0736 -1.0736 1.4640 1.4640 1.4738 1.4738
1.9268 1.9268 1.9384 1.9384 1.9922 1.9922 1.9941 1.9941
2.6217 2.6217 2.6324 2.6324 2.7047 2.7047 2.7070 2.7070
9.0844 9.0844 9.0902 9.0902 9.8651 9.8651 9.8748 9.8748
10.6504 10.6504
k = 0.1705 0.0984 0.2082 ( 5452 PWs) bands (ev):
-28.9695 -28.9695 -28.9695 -28.9695 -13.8674 -13.8674 -13.8287 -13.8287
-11.8594 -11.8594 -11.6333 -11.6333 -10.9162 -10.9162 -10.7153 -10.7153
-10.5248 -10.5248 -10.4732 -10.4732 -9.6447 -9.6447 -9.5858 -9.5858
-1.0739 -1.0739 -1.0685 -1.0685 1.4492 1.4492 1.4583 1.4583
1.9195 1.9195 1.9307 1.9307 1.9904 1.9904 1.9921 1.9921
2.6197 2.6197 2.6306 2.6306 2.7054 2.7054 2.7078 2.7078
9.1382 9.1382 9.1438 9.1438 9.8611 9.8611 9.8708 9.8708
10.6553 10.6553
k = 0.1818 0.1050 0.2082 ( 5448 PWs) bands (ev):
-28.9688 -28.9688 -28.9688 -28.9688 -13.8748 -13.8748 -13.8350 -13.8350
-11.8624 -11.8624 -11.6293 -11.6293 -10.9198 -10.9198 -10.7158 -10.7158
-10.5238 -10.5238 -10.4668 -10.4668 -9.6450 -9.6450 -9.5836 -9.5836
-1.0689 -1.0689 -1.0634 -1.0634 1.4346 1.4346 1.4431 1.4431
1.9105 1.9105 1.9210 1.9210 1.9888 1.9888 1.9903 1.9903
2.6185 2.6185 2.6294 2.6294 2.7067 2.7067 2.7091 2.7091
9.1919 9.1919 9.1971 9.1971 9.8578 9.8578 9.8673 9.8673
10.6625 10.6625
k = 0.1932 0.1115 0.2082 ( 5444 PWs) bands (ev):
-28.9681 -28.9681 -28.9681 -28.9681 -13.8824 -13.8824 -13.8418 -13.8418
-11.8647 -11.8647 -11.6259 -11.6259 -10.9226 -10.9226 -10.7164 -10.7164
-10.5233 -10.5233 -10.4612 -10.4612 -9.6448 -9.6448 -9.5813 -9.5813
-1.0638 -1.0638 -1.0581 -1.0581 1.4204 1.4204 1.4281 1.4281
1.8999 1.8999 1.9094 1.9094 1.9871 1.9871 1.9886 1.9886
2.6179 2.6179 2.6288 2.6288 2.7086 2.7086 2.7110 2.7110
9.2443 9.2443 9.2489 9.2489 9.8556 9.8556 9.8649 9.8649
10.6721 10.6721
k = 0.2045 0.1181 0.2082 ( 5450 PWs) bands (ev):
-28.9673 -28.9673 -28.9673 -28.9673 -13.8901 -13.8901 -13.8488 -13.8488
-11.8663 -11.8663 -11.6232 -11.6232 -10.9245 -10.9245 -10.7172 -10.7172
-10.5230 -10.5230 -10.4565 -10.4565 -9.6442 -9.6442 -9.5788 -9.5788
-1.0587 -1.0587 -1.0529 -1.0529 1.4066 1.4066 1.4135 1.4135
1.8877 1.8877 1.8963 1.8963 1.9855 1.9855 1.9870 1.9870
2.6178 2.6178 2.6286 2.6286 2.7109 2.7109 2.7133 2.7133
9.2942 9.2942 9.2980 9.2980 9.8555 9.8555 9.8646 9.8646
10.6843 10.6843
k = 0.2159 0.1247 0.2082 ( 5454 PWs) bands (ev):
-28.9666 -28.9666 -28.9666 -28.9666 -13.8978 -13.8978 -13.8562 -13.8562
-11.8672 -11.8672 -11.6210 -11.6210 -10.9256 -10.9256 -10.7180 -10.7180
-10.5232 -10.5232 -10.4526 -10.4526 -9.6431 -9.6431 -9.5763 -9.5763
-1.0537 -1.0537 -1.0477 -1.0477 1.3932 1.3932 1.3992 1.3992
1.8744 1.8744 1.8818 1.8818 1.9838 1.9838 1.9853 1.9853
2.6182 2.6182 2.6289 2.6289 2.7138 2.7138 2.7162 2.7162
9.3400 9.3400 9.3430 9.3430 9.8585 9.8585 9.8674 9.8674
10.6991 10.6992
k = 0.2273 0.1312 0.2082 ( 5456 PWs) bands (ev):
-28.9658 -28.9658 -28.9658 -28.9658 -13.9055 -13.9055 -13.8637 -13.8637
-11.8675 -11.8675 -11.6195 -11.6195 -10.9258 -10.9258 -10.7190 -10.7190
-10.5237 -10.5237 -10.4497 -10.4497 -9.6414 -9.6414 -9.5736 -9.5736
-1.0487 -1.0487 -1.0427 -1.0427 1.3803 1.3803 1.3854 1.3854
1.8602 1.8602 1.8665 1.8665 1.9821 1.9821 1.9836 1.9836
2.6191 2.6191 2.6295 2.6295 2.7171 2.7171 2.7195 2.7195
9.3802 9.3802 9.3823 9.3823 9.8658 9.8658 9.8745 9.8746
10.7167 10.7167
k = 0.2386 0.1378 0.2082 ( 5454 PWs) bands (ev):
-28.9650 -28.9650 -28.9650 -28.9650 -13.9132 -13.9132 -13.8715 -13.8715
-11.8670 -11.8670 -11.6186 -11.6186 -10.9251 -10.9251 -10.7199 -10.7199
-10.5247 -10.5247 -10.4479 -10.4479 -9.6393 -9.6393 -9.5709 -9.5709
-1.0437 -1.0437 -1.0377 -1.0377 1.3679 1.3679 1.3720 1.3720
1.8455 1.8455 1.8505 1.8505 1.9802 1.9802 1.9817 1.9817
2.6201 2.6201 2.6303 2.6303 2.7210 2.7210 2.7233 2.7233
9.4133 9.4133 9.4144 9.4144 9.8787 9.8787 9.8871 9.8871
10.7369 10.7369
k = 0.2500 0.1443 0.2082 ( 5446 PWs) bands (ev):
-28.9642 -28.9642 -28.9642 -28.9642 -13.9208 -13.9208 -13.8794 -13.8794
-11.8658 -11.8658 -11.6182 -11.6182 -10.9236 -10.9236 -10.7208 -10.7208
-10.5260 -10.5260 -10.4471 -10.4471 -9.6367 -9.6367 -9.5681 -9.5681
-1.0389 -1.0389 -1.0329 -1.0329 1.3559 1.3559 1.3591 1.3591
1.8303 1.8303 1.8342 1.8342 1.9781 1.9781 1.9796 1.9796
2.6214 2.6214 2.6313 2.6313 2.7253 2.7253 2.7275 2.7275
9.4383 9.4383 9.4384 9.4384 9.8978 9.8978 9.9056 9.9056
10.7599 10.7599
k = 0.2614 0.1509 0.2082 ( 5450 PWs) bands (ev):
-28.9634 -28.9634 -28.9634 -28.9634 -13.9283 -13.9283 -13.8874 -13.8874
-11.8641 -11.8641 -11.6185 -11.6185 -10.9213 -10.9213 -10.7217 -10.7217
-10.5277 -10.5277 -10.4475 -10.4475 -9.6335 -9.6335 -9.5652 -9.5652
-1.0343 -1.0343 -1.0283 -1.0283 1.3445 1.3445 1.3467 1.3467
1.8151 1.8151 1.8178 1.8178 1.9758 1.9758 1.9773 1.9773
2.6228 2.6228 2.6323 2.6323 2.7300 2.7300 2.7321 2.7321
9.4542 9.4542 9.4548 9.4548 9.9231 9.9231 9.9300 9.9300
10.7855 10.7855
k = 0.2727 0.1575 0.2082 ( 5444 PWs) bands (ev):
-28.9626 -28.9626 -28.9626 -28.9626 -13.9357 -13.9357 -13.8955 -13.8955
-11.8616 -11.8616 -11.6194 -11.6193 -10.9181 -10.9181 -10.7225 -10.7225
-10.5298 -10.5298 -10.4489 -10.4489 -9.6299 -9.6299 -9.5623 -9.5623
-1.0298 -1.0298 -1.0239 -1.0239 1.3334 1.3334 1.3347 1.3347
1.8001 1.8001 1.8016 1.8016 1.9733 1.9733 1.9748 1.9748
2.6241 2.6241 2.6333 2.6333 2.7350 2.7350 2.7371 2.7371
9.4625 9.4625 9.4636 9.4636 9.9537 9.9537 9.9595 9.9595
10.8136 10.8137
k = 0.2841 0.1640 0.2082 ( 5440 PWs) bands (ev):
-28.9618 -28.9618 -28.9618 -28.9618 -13.9429 -13.9429 -13.9036 -13.9036
-11.8586 -11.8586 -11.6208 -11.6208 -10.9141 -10.9141 -10.7232 -10.7232
-10.5322 -10.5322 -10.4514 -10.4514 -9.6259 -9.6259 -9.5593 -9.5593
-1.0256 -1.0256 -1.0197 -1.0197 1.3229 1.3229 1.3233 1.3233
1.7853 1.7853 1.7858 1.7858 1.9706 1.9706 1.9721 1.9721
2.6254 2.6254 2.6342 2.6342 2.7404 2.7404 2.7424 2.7424
9.4644 9.4644 9.4659 9.4659 9.9882 9.9882 9.9926 9.9926
10.8441 10.8441
k = 0.2955 0.1706 0.2082 ( 5450 PWs) bands (ev):
-28.9611 -28.9611 -28.9611 -28.9611 -13.9500 -13.9500 -13.9117 -13.9117
-11.8550 -11.8550 -11.6227 -11.6227 -10.9094 -10.9094 -10.7239 -10.7239
-10.5350 -10.5350 -10.4549 -10.4549 -9.6215 -9.6215 -9.5564 -9.5564
-1.0216 -1.0216 -1.0158 -1.0158 1.3123 1.3123 1.3128 1.3128
1.7706 1.7706 1.7711 1.7711 1.9678 1.9678 1.9692 1.9692
2.6265 2.6265 2.6350 2.6350 2.7460 2.7460 2.7479 2.7479
9.4614 9.4614 9.4632 9.4632 10.0251 10.0251 10.0278 10.0278
10.8765 10.8767
k = 0.3068 0.1771 0.2082 ( 5436 PWs) bands (ev):
-28.9603 -28.9603 -28.9603 -28.9603 -13.9567 -13.9567 -13.9197 -13.9197
-11.8508 -11.8508 -11.6252 -11.6252 -10.9039 -10.9039 -10.7244 -10.7244
-10.5381 -10.5381 -10.4595 -10.4595 -9.6167 -9.6167 -9.5534 -9.5534
-1.0178 -1.0178 -1.0122 -1.0122 1.3019 1.3019 1.3032 1.3032
1.7561 1.7561 1.7575 1.7575 1.9648 1.9648 1.9662 1.9662
2.6275 2.6275 2.6355 2.6355 2.7519 2.7519 2.7536 2.7536
9.4549 9.4549 9.4567 9.4567 10.0629 10.0629 10.0640 10.0640
10.9103 10.9104
k = 0.3182 0.1837 0.2082 ( 5440 PWs) bands (ev):
-28.9596 -28.9596 -28.9596 -28.9596 -13.9633 -13.9633 -13.9276 -13.9276
-11.8461 -11.8461 -11.6282 -11.6282 -10.8978 -10.8978 -10.7249 -10.7249
-10.5414 -10.5414 -10.4649 -10.4649 -9.6117 -9.6117 -9.5506 -9.5506
-1.0143 -1.0143 -1.0089 -1.0089 1.2920 1.2920 1.2939 1.2939
1.7425 1.7425 1.7447 1.7447 1.9616 1.9616 1.9630 1.9630
2.6283 2.6283 2.6359 2.6359 2.7579 2.7579 2.7595 2.7595
9.4458 9.4458 9.4477 9.4477 10.1001 10.1001 10.1007 10.1007
10.9449 10.9451
k = 0.3295 0.1903 0.2082 ( 5438 PWs) bands (ev):
-28.9589 -28.9589 -28.9589 -28.9589 -13.9695 -13.9695 -13.9354 -13.9354
-11.8409 -11.8409 -11.6317 -11.6317 -10.8909 -10.8909 -10.7252 -10.7252
-10.5451 -10.5451 -10.4712 -10.4712 -9.6064 -9.6064 -9.5478 -9.5478
-1.0111 -1.0111 -1.0059 -1.0059 1.2826 1.2826 1.2852 1.2852
1.7298 1.7298 1.7327 1.7327 1.9584 1.9584 1.9598 1.9598
2.6289 2.6289 2.6361 2.6361 2.7640 2.7640 2.7655 2.7655
9.4350 9.4350 9.4370 9.4370 10.1354 10.1354 10.1376 10.1376
10.9775 10.9777
k = 0.3409 0.1968 0.2082 ( 5442 PWs) bands (ev):
-28.9582 -28.9582 -28.9582 -28.9582 -13.9753 -13.9753 -13.9429 -13.9429
-11.8352 -11.8352 -11.6357 -11.6357 -10.8835 -10.8835 -10.7255 -10.7255
-10.5489 -10.5489 -10.4783 -10.4783 -9.6010 -9.6010 -9.5452 -9.5452
-1.0082 -1.0082 -1.0032 -1.0032 1.2737 1.2737 1.2768 1.2768
1.7181 1.7181 1.7216 1.7216 1.9552 1.9552 1.9565 1.9565
2.6292 2.6292 2.6360 2.6360 2.7700 2.7700 2.7715 2.7715
9.4233 9.4233 9.4252 9.4252 10.1694 10.1694 10.1732 10.1732
11.0095 11.0095
k = 0.3523 0.2034 0.2082 ( 5444 PWs) bands (ev):
-28.9575 -28.9575 -28.9575 -28.9575 -13.9809 -13.9809 -13.9502 -13.9502
-11.8291 -11.8291 -11.6401 -11.6401 -10.8754 -10.8754 -10.7258 -10.7258
-10.5528 -10.5528 -10.4861 -10.4861 -9.5954 -9.5954 -9.5427 -9.5427
-1.0055 -1.0055 -1.0008 -1.0008 1.2654 1.2654 1.2689 1.2689
1.7075 1.7075 1.7114 1.7114 1.9520 1.9520 1.9532 1.9532
2.6294 2.6294 2.6357 2.6357 2.7760 2.7760 2.7774 2.7774
9.4111 9.4111 9.4130 9.4130 10.2019 10.2019 10.2071 10.2071
11.0402 11.0402
k = 0.3636 0.2099 0.2082 ( 5446 PWs) bands (ev):
-28.9569 -28.9569 -28.9569 -28.9569 -13.9860 -13.9860 -13.9573 -13.9573
-11.8226 -11.8226 -11.6450 -11.6450 -10.8669 -10.8669 -10.7260 -10.7260
-10.5568 -10.5568 -10.4944 -10.4944 -9.5899 -9.5899 -9.5404 -9.5404
-1.0031 -1.0031 -0.9986 -0.9986 1.2576 1.2576 1.2614 1.2614
1.6980 1.6980 1.7022 1.7022 1.9488 1.9488 1.9500 1.9500
2.6293 2.6293 2.6353 2.6353 2.7819 2.7819 2.7831 2.7831
9.3989 9.3989 9.4008 9.4008 10.2327 10.2327 10.2392 10.2392
11.0690 11.0690
k = 0.3750 0.2165 0.2082 ( 5434 PWs) bands (ev):
-28.9563 -28.9563 -28.9563 -28.9563 -13.9907 -13.9907 -13.9640 -13.9640
-11.8158 -11.8158 -11.6502 -11.6502 -10.8579 -10.8579 -10.7262 -10.7262
-10.5609 -10.5609 -10.5031 -10.5031 -9.5843 -9.5843 -9.5383 -9.5383
-1.0010 -1.0010 -0.9968 -0.9968 1.2504 1.2504 1.2544 1.2544
1.6895 1.6895 1.6939 1.6939 1.9457 1.9457 1.9468 1.9468
2.6291 2.6291 2.6346 2.6346 2.7876 2.7876 2.7887 2.7887
9.3870 9.3870 9.3887 9.3887 10.2618 10.2618 10.2693 10.2693
11.0949 11.0949
k = 0.3864 0.2231 0.2082 ( 5432 PWs) bands (ev):
-28.9558 -28.9558 -28.9558 -28.9558 -13.9949 -13.9949 -13.9704 -13.9704
-11.8086 -11.8086 -11.6559 -11.6559 -10.8485 -10.8485 -10.7265 -10.7265
-10.5649 -10.5649 -10.5122 -10.5122 -9.5788 -9.5788 -9.5365 -9.5365
-0.9991 -0.9991 -0.9952 -0.9952 1.2437 1.2437 1.2478 1.2478
1.6821 1.6821 1.6866 1.6866 1.9428 1.9428 1.9438 1.9438
2.6288 2.6288 2.6338 2.6338 2.7931 2.7931 2.7941 2.7941
9.3756 9.3756 9.3772 9.3772 10.2890 10.2890 10.2972 10.2972
11.1174 11.1174
k = 0.3977 0.2296 0.2082 ( 5432 PWs) bands (ev):
-28.9553 -28.9553 -28.9553 -28.9553 -13.9987 -13.9987 -13.9764 -13.9764
-11.8012 -11.8012 -11.6619 -11.6619 -10.8388 -10.8388 -10.7269 -10.7269
-10.5689 -10.5689 -10.5214 -10.5214 -9.5734 -9.5734 -9.5350 -9.5350
-0.9974 -0.9974 -0.9939 -0.9939 1.2377 1.2377 1.2417 1.2417
1.6757 1.6757 1.6801 1.6801 1.9400 1.9400 1.9409 1.9409
2.6283 2.6283 2.6329 2.6329 2.7982 2.7982 2.7991 2.7991
9.3649 9.3649 9.3664 9.3664 10.3144 10.3144 10.3231 10.3231
11.1362 11.1362
k = 0.4091 0.2362 0.2082 ( 5428 PWs) bands (ev):
-28.9548 -28.9548 -28.9548 -28.9548 -14.0020 -14.0020 -13.9820 -13.9820
-11.7936 -11.7936 -11.6683 -11.6683 -10.8288 -10.8288 -10.7276 -10.7276
-10.5726 -10.5726 -10.5306 -10.5306 -9.5682 -9.5682 -9.5338 -9.5338
-0.9960 -0.9960 -0.9928 -0.9928 1.2323 1.2323 1.2361 1.2361
1.6702 1.6702 1.6744 1.6744 1.9374 1.9374 1.9382 1.9382
2.6278 2.6278 2.6319 2.6319 2.8029 2.8029 2.8037 2.8037
9.3550 9.3550 9.3564 9.3564 10.3378 10.3378 10.3467 10.3467
11.1510 11.1510
k = 0.4205 0.2427 0.2082 ( 5424 PWs) bands (ev):
-28.9544 -28.9544 -28.9544 -28.9544 -14.0048 -14.0048 -13.9871 -13.9871
-11.7857 -11.7857 -11.6750 -11.6750 -10.8187 -10.8187 -10.7285 -10.7285
-10.5761 -10.5761 -10.5397 -10.5397 -9.5633 -9.5633 -9.5329 -9.5329
-0.9947 -0.9947 -0.9919 -0.9919 1.2275 1.2275 1.2311 1.2311
1.6656 1.6656 1.6695 1.6695 1.9350 1.9350 1.9358 1.9358
2.6273 2.6273 2.6309 2.6309 2.8072 2.8072 2.8079 2.8079
9.3462 9.3462 9.3474 9.3474 10.3592 10.3592 10.3681 10.3681
11.1619 11.1619
k = 0.4318 0.2493 0.2082 ( 5418 PWs) bands (ev):
-28.9541 -28.9541 -28.9541 -28.9541 -14.0071 -14.0071 -13.9918 -13.9918
-11.7777 -11.7777 -11.6819 -11.6819 -10.8086 -10.8086 -10.7300 -10.7300
-10.5791 -10.5791 -10.5483 -10.5483 -9.5586 -9.5586 -9.5324 -9.5324
-0.9937 -0.9937 -0.9912 -0.9912 1.2234 1.2234 1.2267 1.2267
1.6619 1.6619 1.6654 1.6654 1.9329 1.9329 1.9336 1.9336
2.6267 2.6267 2.6298 2.6298 2.8111 2.8111 2.8117 2.8117
9.3384 9.3384 9.3395 9.3395 10.3785 10.3785 10.3869 10.3869
11.1696 11.1696
k = 0.4432 0.2559 0.2082 ( 5412 PWs) bands (ev):
-28.9538 -28.9538 -28.9538 -28.9538 -14.0088 -14.0088 -13.9960 -13.9960
-11.7695 -11.7695 -11.6891 -11.6891 -10.7986 -10.7986 -10.7320 -10.7320
-10.5817 -10.5817 -10.5565 -10.5565 -9.5542 -9.5542 -9.5323 -9.5323
-0.9928 -0.9928 -0.9907 -0.9907 1.2199 1.2199 1.2228 1.2228
1.6589 1.6589 1.6619 1.6619 1.9311 1.9311 1.9317 1.9317
2.6263 2.6263 2.6289 2.6289 2.8144 2.8144 2.8149 2.8149
9.3317 9.3317 9.3326 9.3326 10.3955 10.3955 10.4031 10.4031
11.1744 11.1744
k = 0.4545 0.2624 0.2082 ( 5408 PWs) bands (ev):
-28.9535 -28.9535 -28.9535 -28.9535 -14.0100 -14.0100 -13.9998 -13.9998
-11.7613 -11.7613 -11.6966 -11.6966 -10.7888 -10.7888 -10.7347 -10.7347
-10.5837 -10.5837 -10.5638 -10.5638 -9.5502 -9.5502 -9.5326 -9.5326
-0.9920 -0.9920 -0.9903 -0.9903 1.2172 1.2172 1.2195 1.2195
1.6566 1.6566 1.6591 1.6591 1.9296 1.9296 1.9301 1.9301
2.6259 2.6259 2.6279 2.6279 2.8172 2.8172 2.8176 2.8176
9.3262 9.3262 9.3269 9.3269 10.4100 10.4100 10.4166 10.4166
11.1773 11.1773
k = 0.4659 0.2690 0.2082 ( 5408 PWs) bands (ev):
-28.9533 -28.9533 -28.9533 -28.9533 -14.0107 -14.0107 -14.0029 -14.0029
-11.7530 -11.7530 -11.7043 -11.7043 -10.7793 -10.7793 -10.7383 -10.7383
-10.5849 -10.5849 -10.5703 -10.5703 -9.5465 -9.5465 -9.5333 -9.5333
-0.9914 -0.9914 -0.9901 -0.9901 1.2151 1.2151 1.2169 1.2169
1.6549 1.6549 1.6569 1.6569 1.9285 1.9285 1.9288 1.9288
2.6256 2.6256 2.6271 2.6271 2.8194 2.8194 2.8197 2.8197
9.3219 9.3219 9.3225 9.3225 10.4218 10.4218 10.4270 10.4270
11.1789 11.1789
k = 0.4773 0.2756 0.2082 ( 5404 PWs) bands (ev):
-28.9532 -28.9532 -28.9532 -28.9532 -14.0108 -14.0108 -14.0056 -14.0056
-11.7448 -11.7448 -11.7121 -11.7121 -10.7704 -10.7704 -10.7428 -10.7428
-10.5852 -10.5852 -10.5756 -10.5756 -9.5433 -9.5433 -9.5344 -9.5344
-0.9909 -0.9909 -0.9901 -0.9900 1.2137 1.2137 1.2149 1.2149
1.6539 1.6539 1.6552 1.6552 1.9276 1.9276 1.9279 1.9279
2.6254 2.6254 2.6265 2.6265 2.8210 2.8210 2.8212 2.8212
9.3189 9.3189 9.3193 9.3193 10.4307 10.4307 10.4343 10.4343
11.1799 11.1799
k = 0.4886 0.2821 0.2082 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0103 -14.0103 -14.0077 -14.0077
-11.7365 -11.7365 -11.7202 -11.7202 -10.7622 -10.7622 -10.7483 -10.7483
-10.5846 -10.5846 -10.5798 -10.5798 -9.5404 -9.5404 -9.5360 -9.5360
-0.9905 -0.9905 -0.9901 -0.9901 1.2129 1.2129 1.2135 1.2135
1.6534 1.6534 1.6541 1.6541 1.9272 1.9272 1.9273 1.9273
2.6254 2.6254 2.6260 2.6260 2.8220 2.8220 2.8221 2.8221
9.3171 9.3171 9.3173 9.3173 10.4365 10.4365 10.4384 10.4384
11.1809 11.1810
k = 0.5000 0.2887 0.2082 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0093 -14.0093 -14.0093 -14.0093
-11.7283 -11.7283 -11.7283 -11.7283 -10.7548 -10.7548 -10.7548 -10.7548
-10.5828 -10.5828 -10.5828 -10.5828 -9.5380 -9.5380 -9.5380 -9.5380
-0.9902 -0.9902 -0.9902 -0.9902 1.2129 1.2129 1.2129 1.2129
1.6535 1.6535 1.6535 1.6535 1.9270 1.9270 1.9270 1.9270
2.6256 2.6256 2.6256 2.6256 2.8224 2.8224 2.8224 2.8224
9.3165 9.3165 9.3165 9.3165 10.4391 10.4391 10.4391 10.4391
11.1822 11.1822
k = 0.5000 0.2887 0.2082 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0093 -14.0093 -14.0093 -14.0093
-11.7283 -11.7283 -11.7283 -11.7283 -10.7548 -10.7548 -10.7548 -10.7548
-10.5828 -10.5828 -10.5828 -10.5828 -9.5380 -9.5380 -9.5380 -9.5380
-0.9902 -0.9902 -0.9902 -0.9902 1.2129 1.2129 1.2129 1.2129
1.6535 1.6535 1.6535 1.6535 1.9270 1.9270 1.9270 1.9270
2.6256 2.6256 2.6256 2.6256 2.8224 2.8224 2.8224 2.8224
9.3165 9.3165 9.3165 9.3165 10.4391 10.4391 10.4391 10.4391
11.1822 11.1822
k = 0.4936 0.2998 0.2082 ( 5424 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0116 -14.0116 -14.0071 -14.0071
-11.7393 -11.7393 -11.7174 -11.7174 -10.7595 -10.7595 -10.7511 -10.7511
-10.5958 -10.5958 -10.5684 -10.5684 -9.5398 -9.5398 -9.5365 -9.5365
-0.9907 -0.9907 -0.9894 -0.9894 1.2123 1.2123 1.2139 1.2139
1.6530 1.6530 1.6538 1.6538 1.9254 1.9254 1.9273 1.9273
2.6248 2.6248 2.6263 2.6263 2.8212 2.8212 2.8235 2.8235
9.3181 9.3181 9.3185 9.3185 10.4384 10.4384 10.4388 10.4388
11.1827 11.1831
k = 0.4872 0.3109 0.2082 ( 5416 PWs) bands (ev):
-28.9530 -28.9530 -28.9530 -28.9530 -14.0140 -14.0140 -14.0049 -14.0049
-11.7504 -11.7504 -11.7067 -11.7067 -10.7649 -10.7649 -10.7488 -10.7488
-10.6070 -10.6070 -10.5530 -10.5530 -9.5418 -9.5418 -9.5352 -9.5352
-0.9908 -0.9908 -0.9882 -0.9882 1.2121 1.2121 1.2155 1.2155
1.6525 1.6525 1.6541 1.6541 1.9223 1.9223 1.9262 1.9262
2.6239 2.6239 2.6269 2.6269 2.8201 2.8201 2.8246 2.8246
9.3231 9.3231 9.3238 9.3238 10.4369 10.4369 10.4376 10.4376
11.1845 11.1848
k = 0.4808 0.3220 0.2082 ( 5420 PWs) bands (ev):
-28.9530 -28.9530 -28.9530 -28.9530 -14.0165 -14.0165 -14.0028 -14.0028
-11.7615 -11.7615 -11.6962 -11.6962 -10.7708 -10.7708 -10.7483 -10.7483
-10.6158 -10.6158 -10.5370 -10.5370 -9.5441 -9.5441 -9.5342 -9.5342
-0.9905 -0.9905 -0.9866 -0.9866 1.2124 1.2124 1.2174 1.2174
1.6518 1.6518 1.6542 1.6542 1.9179 1.9179 1.9237 1.9237
2.6230 2.6230 2.6273 2.6273 2.8190 2.8190 2.8256 2.8256
9.3314 9.3314 9.3325 9.3325 10.4345 10.4345 10.4355 10.4355
11.1875 11.1876
k = 0.4744 0.3331 0.2082 ( 5420 PWs) bands (ev):
-28.9529 -28.9529 -28.9529 -28.9529 -14.0190 -14.0190 -14.0009 -14.0009
-11.7726 -11.7726 -11.6860 -11.6860 -10.7772 -10.7772 -10.7500 -10.7500
-10.6219 -10.6219 -10.5205 -10.5205 -9.5466 -9.5466 -9.5334 -9.5334
-0.9899 -0.9899 -0.9847 -0.9847 1.2130 1.2130 1.2198 1.2198
1.6509 1.6509 1.6542 1.6542 1.9122 1.9122 1.9200 1.9200
2.6219 2.6219 2.6275 2.6275 2.8181 2.8181 2.8267 2.8267
9.3428 9.3428 9.3444 9.3444 10.4314 10.4314 10.4328 10.4328
11.1918 11.1919
k = 0.4679 0.3442 0.2082 ( 5424 PWs) bands (ev):
-28.9529 -28.9529 -28.9529 -28.9529 -14.0216 -14.0216 -13.9990 -13.9990
-11.7836 -11.7836 -11.6760 -11.6760 -10.7838 -10.7838 -10.7537 -10.7537
-10.6252 -10.6252 -10.5038 -10.5038 -9.5493 -9.5493 -9.5329 -9.5329
-0.9889 -0.9889 -0.9825 -0.9825 1.2141 1.2141 1.2226 1.2226
1.6500 1.6500 1.6541 1.6541 1.9052 1.9052 1.9150 1.9150
2.6206 2.6206 2.6274 2.6274 2.8173 2.8173 2.8278 2.8278
9.3571 9.3571 9.3591 9.3591 10.4280 10.4280 10.4296 10.4296
11.1970 11.1974
k = 0.4615 0.3553 0.2082 ( 5426 PWs) bands (ev):
-28.9528 -28.9528 -28.9528 -28.9528 -14.0241 -14.0241 -13.9973 -13.9973
-11.7945 -11.7945 -11.6664 -11.6664 -10.7908 -10.7908 -10.7593 -10.7593
-10.6257 -10.6257 -10.4871 -10.4871 -9.5522 -9.5522 -9.5325 -9.5325
-0.9877 -0.9877 -0.9799 -0.9799 1.2156 1.2156 1.2258 1.2258
1.6490 1.6490 1.6539 1.6539 1.8971 1.8971 1.9089 1.9089
2.6192 2.6192 2.6271 2.6271 2.8168 2.8168 2.8289 2.8289
9.3740 9.3740 9.3765 9.3765 10.4244 10.4244 10.4263 10.4263
11.2029 11.2032
k = 0.4551 0.3664 0.2082 ( 5416 PWs) bands (ev):
-28.9526 -28.9526 -28.9526 -28.9526 -14.0267 -14.0267 -13.9957 -13.9957
-11.8052 -11.8052 -11.6571 -11.6571 -10.7982 -10.7982 -10.7660 -10.7660
-10.6241 -10.6241 -10.4704 -10.4704 -9.5553 -9.5553 -9.5324 -9.5324
-0.9861 -0.9861 -0.9771 -0.9771 1.2174 1.2174 1.2294 1.2294
1.6478 1.6478 1.6536 1.6536 1.8879 1.8879 1.9019 1.9019
2.6177 2.6177 2.6263 2.6263 2.8165 2.8165 2.8301 2.8301
9.3930 9.3930 9.3960 9.3960 10.4210 10.4210 10.4232 10.4232
11.2087 11.2089
k = 0.4487 0.3775 0.2082 ( 5420 PWs) bands (ev):
-28.9525 -28.9525 -28.9525 -28.9525 -14.0293 -14.0293 -13.9943 -13.9943
-11.8156 -11.8156 -11.6482 -11.6482 -10.8061 -10.8061 -10.7732 -10.7732
-10.6208 -10.6208 -10.4540 -10.4540 -9.5586 -9.5586 -9.5324 -9.5324
-0.9842 -0.9842 -0.9741 -0.9741 1.2195 1.2195 1.2334 1.2334
1.6466 1.6466 1.6532 1.6532 1.8778 1.8778 1.8940 1.8940
2.6159 2.6159 2.6252 2.6252 2.8166 2.8166 2.8314 2.8314
9.4136 9.4136 9.4172 9.4172 10.4182 10.4182 10.4206 10.4206
11.2133 11.2134
k = 0.4423 0.3886 0.2082 ( 5424 PWs) bands (ev):
-28.9524 -28.9524 -28.9524 -28.9524 -14.0319 -14.0319 -13.9930 -13.9930
-11.8258 -11.8258 -11.6398 -11.6398 -10.8146 -10.8146 -10.7803 -10.7803
-10.6164 -10.6164 -10.4379 -10.4379 -9.5619 -9.5619 -9.5326 -9.5326
-0.9822 -0.9822 -0.9709 -0.9709 1.2218 1.2218 1.2376 1.2376
1.6452 1.6452 1.6527 1.6527 1.8669 1.8669 1.8853 1.8853
2.6139 2.6139 2.6237 2.6237 2.8170 2.8170 2.8329 2.8329
9.4355 9.4355 9.4397 9.4397 10.4164 10.4164 10.4189 10.4189
11.2137 11.2137
k = 0.4359 0.3997 0.2082 ( 5424 PWs) bands (ev):
-28.9523 -28.9523 -28.9523 -28.9523 -14.0345 -14.0345 -13.9918 -13.9918
-11.8356 -11.8356 -11.6317 -11.6317 -10.8235 -10.8235 -10.7869 -10.7869
-10.6112 -10.6112 -10.4223 -10.4223 -9.5654 -9.5654 -9.5330 -9.5330
-0.9799 -0.9799 -0.9676 -0.9676 1.2244 1.2244 1.2421 1.2421
1.6438 1.6438 1.6522 1.6522 1.8554 1.8554 1.8761 1.8761
2.6117 2.6117 2.6218 2.6218 2.8179 2.8179 2.8345 2.8345
9.4580 9.4580 9.4628 9.4628 10.4159 10.4159 10.4186 10.4186
11.2049 11.2049
k = 0.4295 0.4108 0.2082 ( 5416 PWs) bands (ev):
-28.9521 -28.9521 -28.9521 -28.9521 -14.0370 -14.0370 -13.9908 -13.9908
-11.8450 -11.8450 -11.6241 -11.6241 -10.8328 -10.8328 -10.7929 -10.7929
-10.6055 -10.6055 -10.4073 -10.4073 -9.5688 -9.5688 -9.5334 -9.5334
-0.9776 -0.9776 -0.9641 -0.9641 1.2272 1.2272 1.2469 1.2469
1.6423 1.6423 1.6516 1.6516 1.8433 1.8433 1.8665 1.8665
2.6092 2.6092 2.6195 2.6195 2.8190 2.8190 2.8362 2.8362
9.4806 9.4806 9.4861 9.4861 10.4171 10.4171 10.4199 10.4199
11.1831 11.1831
k = 0.4231 0.4219 0.2082 ( 5416 PWs) bands (ev):
-28.9519 -28.9519 -28.9519 -28.9519 -14.0395 -14.0395 -13.9899 -13.9899
-11.8540 -11.8540 -11.6169 -11.6169 -10.8423 -10.8423 -10.7982 -10.7982
-10.5996 -10.5996 -10.3928 -10.3928 -9.5723 -9.5723 -9.5339 -9.5339
-0.9751 -0.9751 -0.9606 -0.9606 1.2301 1.2301 1.2518 1.2518
1.6408 1.6408 1.6510 1.6510 1.8310 1.8310 1.8566 1.8566
2.6067 2.6067 2.6169 2.6169 2.8205 2.8205 2.8380 2.8380
9.5027 9.5027 9.5090 9.5090 10.4203 10.4203 10.4232 10.4232
11.1507 11.1508
k = 0.4167 0.4330 0.2082 ( 5404 PWs) bands (ev):
-28.9518 -28.9518 -28.9518 -28.9518 -14.0419 -14.0419 -13.9891 -13.9891
-11.8625 -11.8625 -11.6103 -11.6103 -10.8516 -10.8516 -10.8029 -10.8029
-10.5937 -10.5937 -10.3792 -10.3792 -9.5757 -9.5757 -9.5345 -9.5345
-0.9725 -0.9725 -0.9571 -0.9571 1.2331 1.2331 1.2568 1.2568
1.6393 1.6393 1.6503 1.6503 1.8185 1.8185 1.8465 1.8465
2.6040 2.6040 2.6141 2.6141 2.8223 2.8223 2.8400 2.8400
9.5240 9.5240 9.5310 9.5310 10.4257 10.4257 10.4286 10.4286
11.1133 11.1134
k = 0.4103 0.4441 0.2082 ( 5404 PWs) bands (ev):
-28.9516 -28.9516 -28.9516 -28.9516 -14.0442 -14.0442 -13.9885 -13.9885
-11.8705 -11.8705 -11.6041 -11.6041 -10.8607 -10.8607 -10.8070 -10.8070
-10.5879 -10.5879 -10.3663 -10.3663 -9.5790 -9.5790 -9.5351 -9.5351
-0.9700 -0.9700 -0.9537 -0.9537 1.2360 1.2360 1.2619 1.2619
1.6378 1.6378 1.6496 1.6496 1.8060 1.8060 1.8365 1.8365
2.6012 2.6012 2.6111 2.6111 2.8243 2.8243 2.8420 2.8420
9.5438 9.5438 9.5516 9.5516 10.4332 10.4332 10.4362 10.4362
11.0743 11.0752
k = 0.4038 0.4552 0.2082 ( 5416 PWs) bands (ev):
-28.9515 -28.9515 -28.9515 -28.9515 -14.0464 -14.0464 -13.9881 -13.9881
-11.8779 -11.8779 -11.5984 -11.5984 -10.8693 -10.8693 -10.8106 -10.8106
-10.5824 -10.5824 -10.3544 -10.3544 -9.5821 -9.5821 -9.5357 -9.5357
-0.9675 -0.9675 -0.9503 -0.9503 1.2389 1.2389 1.2669 1.2669
1.6364 1.6364 1.6489 1.6489 1.7937 1.7937 1.8267 1.8267
2.5984 2.5984 2.6080 2.6080 2.8264 2.8264 2.8440 2.8440
9.5620 9.5620 9.5705 9.5705 10.4430 10.4430 10.4458 10.4458
11.0358 11.0359
k = 0.3974 0.4663 0.2082 ( 5416 PWs) bands (ev):
-28.9513 -28.9513 -28.9513 -28.9513 -14.0486 -14.0486 -13.9877 -13.9877
-11.8847 -11.8847 -11.5932 -11.5932 -10.8773 -10.8773 -10.8137 -10.8137
-10.5771 -10.5771 -10.3433 -10.3433 -9.5851 -9.5851 -9.5364 -9.5364
-0.9650 -0.9650 -0.9471 -0.9471 1.2417 1.2417 1.2718 1.2718
1.6350 1.6350 1.6481 1.6481 1.7818 1.7818 1.8172 1.8172
2.5956 2.5956 2.6049 2.6049 2.8287 2.8287 2.8461 2.8461
9.5783 9.5783 9.5874 9.5874 10.4545 10.4545 10.4574 10.4574
10.9987 10.9987
k = 0.3910 0.4774 0.2082 ( 5416 PWs) bands (ev):
-28.9511 -28.9511 -28.9511 -28.9511 -14.0506 -14.0506 -13.9875 -13.9875
-11.8908 -11.8908 -11.5886 -11.5886 -10.8846 -10.8846 -10.8165 -10.8165
-10.5722 -10.5722 -10.3333 -10.3333 -9.5878 -9.5878 -9.5370 -9.5370
-0.9627 -0.9627 -0.9441 -0.9441 1.2443 1.2443 1.2765 1.2765
1.6338 1.6338 1.6473 1.6473 1.7705 1.7705 1.8082 1.8082
2.5929 2.5929 2.6019 2.6019 2.8309 2.8309 2.8481 2.8481
9.5925 9.5925 9.6023 9.6023 10.4675 10.4675 10.4704 10.4704
10.9638 10.9638
k = 0.3846 0.4885 0.2082 ( 5414 PWs) bands (ev):
-28.9510 -28.9510 -28.9510 -28.9510 -14.0525 -14.0525 -13.9874 -13.9874
-11.8963 -11.8963 -11.5844 -11.5844 -10.8913 -10.8913 -10.8188 -10.8188
-10.5678 -10.5678 -10.3244 -10.3244 -9.5903 -9.5903 -9.5375 -9.5375
-0.9605 -0.9605 -0.9413 -0.9413 1.2467 1.2467 1.2809 1.2809
1.6328 1.6328 1.6465 1.6465 1.7600 1.7600 1.7997 1.7997
2.5904 2.5904 2.5991 2.5991 2.8331 2.8331 2.8500 2.8500
9.6046 9.6046 9.6150 9.6150 10.4812 10.4812 10.4842 10.4842
10.9314 10.9314
k = 0.3782 0.4996 0.2082 ( 5418 PWs) bands (ev):
-28.9508 -28.9508 -28.9508 -28.9508 -14.0542 -14.0542 -13.9873 -13.9873
-11.9012 -11.9012 -11.5808 -11.5808 -10.8971 -10.8971 -10.8208 -10.8208
-10.5638 -10.5638 -10.3165 -10.3165 -9.5925 -9.5925 -9.5380 -9.5380
-0.9586 -0.9586 -0.9388 -0.9388 1.2488 1.2488 1.2849 1.2849
1.6320 1.6320 1.6457 1.6457 1.7503 1.7503 1.7918 1.7918
2.5881 2.5881 2.5964 2.5964 2.8351 2.8351 2.8517 2.8517
9.6148 9.6148 9.6256 9.6256 10.4949 10.4949 10.4983 10.4983
10.9022 10.9023
k = 0.3718 0.5107 0.2082 ( 5422 PWs) bands (ev):
-28.9507 -28.9507 -28.9507 -28.9507 -14.0557 -14.0557 -13.9874 -13.9874
-11.9054 -11.9054 -11.5776 -11.5776 -10.9022 -10.9022 -10.8225 -10.8225
-10.5604 -10.5604 -10.3098 -10.3098 -9.5944 -9.5944 -9.5385 -9.5385
-0.9568 -0.9568 -0.9365 -0.9365 1.2507 1.2507 1.2885 1.2885
1.6315 1.6315 1.6449 1.6449 1.7416 1.7416 1.7848 1.7848
2.5861 2.5861 2.5940 2.5940 2.8370 2.8370 2.8533 2.8533
9.6231 9.6231 9.6343 9.6343 10.5078 10.5078 10.5119 10.5119
10.8767 10.8767
k = 0.3654 0.5218 0.2082 ( 5426 PWs) bands (ev):
-28.9506 -28.9506 -28.9506 -28.9506 -14.0571 -14.0571 -13.9874 -13.9874
-11.9089 -11.9089 -11.5750 -11.5750 -10.9064 -10.9064 -10.8240 -10.8240
-10.5575 -10.5575 -10.3042 -10.3042 -9.5959 -9.5959 -9.5388 -9.5388
-0.9552 -0.9552 -0.9345 -0.9345 1.2522 1.2522 1.2916 1.2916
1.6313 1.6313 1.6440 1.6440 1.7342 1.7342 1.7786 1.7786
2.5843 2.5843 2.5919 2.5919 2.8387 2.8387 2.8547 2.8547
9.6297 9.6297 9.6412 9.6412 10.5191 10.5191 10.5240 10.5240
10.8553 10.8553
k = 0.3590 0.5329 0.2082 ( 5426 PWs) bands (ev):
-28.9505 -28.9505 -28.9505 -28.9505 -14.0582 -14.0582 -13.9876 -13.9876
-11.9117 -11.9117 -11.5729 -11.5729 -10.9098 -10.9098 -10.8251 -10.8251
-10.5551 -10.5551 -10.2996 -10.2996 -9.5971 -9.5971 -9.5391 -9.5391
-0.9539 -0.9539 -0.9329 -0.9329 1.2533 1.2533 1.2941 1.2941
1.6313 1.6313 1.6431 1.6431 1.7280 1.7280 1.7734 1.7734
2.5828 2.5828 2.5901 2.5901 2.8402 2.8402 2.8559 2.8559
9.6347 9.6347 9.6466 9.6466 10.5284 10.5284 10.5341 10.5341
10.8384 10.8384
k = 0.3526 0.5440 0.2082 ( 5430 PWs) bands (ev):
-28.9504 -28.9504 -28.9504 -28.9504 -14.0591 -14.0591 -13.9877 -13.9877
-11.9139 -11.9139 -11.5713 -11.5713 -10.9124 -10.9124 -10.8260 -10.8260
-10.5533 -10.5533 -10.2962 -10.2962 -9.5980 -9.5980 -9.5394 -9.5394
-0.9529 -0.9529 -0.9317 -0.9317 1.2542 1.2542 1.2960 1.2960
1.6316 1.6316 1.6422 1.6422 1.7231 1.7231 1.7692 1.7692
2.5816 2.5816 2.5887 2.5887 2.8413 2.8413 2.8569 2.8569
9.6384 9.6384 9.6505 9.6505 10.5351 10.5351 10.5416 10.5416
10.8260 10.8260
k = 0.3462 0.5551 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0598 -14.0598 -13.9878 -13.9878
-11.9154 -11.9154 -11.5702 -11.5702 -10.9142 -10.9142 -10.8266 -10.8266
-10.5520 -10.5520 -10.2938 -10.2938 -9.5987 -9.5987 -9.5395 -9.5395
-0.9522 -0.9522 -0.9308 -0.9308 1.2547 1.2547 1.2974 1.2974
1.6319 1.6319 1.6414 1.6414 1.7196 1.7196 1.7661 1.7661
2.5808 2.5808 2.5877 2.5877 2.8422 2.8422 2.8576 2.8576
9.6409 9.6409 9.6531 9.6531 10.5394 10.5394 10.5464 10.5464
10.8180 10.8181
k = 0.3397 0.5662 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0602 -14.0602 -13.9879 -13.9879
-11.9163 -11.9163 -11.5695 -11.5695 -10.9152 -10.9152 -10.8269 -10.8269
-10.5513 -10.5513 -10.2924 -10.2924 -9.5990 -9.5990 -9.5396 -9.5396
-0.9518 -0.9518 -0.9302 -0.9302 1.2550 1.2550 1.2982 1.2982
1.6323 1.6323 1.6408 1.6408 1.7176 1.7176 1.7643 1.7643
2.5803 2.5803 2.5871 2.5871 2.8427 2.8427 2.8580 2.8580
9.6423 9.6423 9.6545 9.6545 10.5415 10.5415 10.5488 10.5488
10.8139 10.8139
k = 0.3333 0.5774 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9880 -13.9880
-11.9166 -11.9166 -11.5693 -11.5693 -10.9156 -10.9156 -10.8271 -10.8271
-10.5511 -10.5511 -10.2920 -10.2920 -9.5991 -9.5991 -9.5396 -9.5396
-0.9516 -0.9516 -0.9300 -0.9300 1.2551 1.2551 1.2984 1.2984
1.6325 1.6325 1.6406 1.6406 1.7169 1.7169 1.7637 1.7637
2.5802 2.5802 2.5869 2.5869 2.8428 2.8428 2.8582 2.8582
9.6427 9.6427 9.6550 9.6550 10.5421 10.5421 10.5495 10.5495
10.8127 10.8127
k = 0.3333 0.5774 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9880 -13.9880
-11.9166 -11.9166 -11.5693 -11.5693 -10.9156 -10.9156 -10.8271 -10.8271
-10.5511 -10.5511 -10.2920 -10.2920 -9.5991 -9.5991 -9.5396 -9.5396
-0.9516 -0.9516 -0.9300 -0.9300 1.2551 1.2551 1.2984 1.2984
1.6325 1.6325 1.6406 1.6406 1.7169 1.7169 1.7637 1.7637
2.5802 2.5802 2.5869 2.5869 2.8428 2.8428 2.8582 2.8582
9.6427 9.6427 9.6550 9.6550 10.5421 10.5421 10.5495 10.5495
10.8127 10.8127
k = 0.3268 0.5660 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0602 -14.0602 -13.9879 -13.9879
-11.9163 -11.9163 -11.5695 -11.5695 -10.9152 -10.9152 -10.8269 -10.8269
-10.5513 -10.5513 -10.2924 -10.2924 -9.5990 -9.5990 -9.5396 -9.5396
-0.9518 -0.9518 -0.9302 -0.9302 1.2551 1.2551 1.2982 1.2982
1.6323 1.6323 1.6409 1.6409 1.7176 1.7176 1.7643 1.7643
2.5803 2.5803 2.5871 2.5871 2.8427 2.8427 2.8580 2.8580
9.6423 9.6423 9.6546 9.6546 10.5417 10.5417 10.5491 10.5491
10.8136 10.8136
k = 0.3203 0.5547 0.2082 ( 5430 PWs) bands (ev):
-28.9504 -28.9504 -28.9504 -28.9504 -14.0597 -14.0597 -13.9878 -13.9878
-11.9155 -11.9155 -11.5702 -11.5702 -10.9143 -10.9143 -10.8265 -10.8265
-10.5520 -10.5520 -10.2937 -10.2937 -9.5988 -9.5988 -9.5395 -9.5395
-0.9522 -0.9522 -0.9308 -0.9308 1.2549 1.2549 1.2975 1.2975
1.6319 1.6319 1.6415 1.6415 1.7197 1.7197 1.7662 1.7662
2.5808 2.5808 2.5877 2.5877 2.8421 2.8421 2.8575 2.8575
9.6411 9.6411 9.6533 9.6533 10.5410 10.5410 10.5482 10.5482
10.8156 10.8156
k = 0.3137 0.5434 0.2082 ( 5426 PWs) bands (ev):
-28.9504 -28.9504 -28.9504 -28.9504 -14.0590 -14.0590 -13.9874 -13.9874
-11.9141 -11.9141 -11.5712 -11.5712 -10.9129 -10.9129 -10.8258 -10.8258
-10.5531 -10.5531 -10.2956 -10.2956 -9.5984 -9.5984 -9.5395 -9.5395
-0.9529 -0.9529 -0.9317 -0.9317 1.2546 1.2546 1.2965 1.2965
1.6314 1.6314 1.6423 1.6423 1.7231 1.7231 1.7694 1.7694
2.5815 2.5815 2.5887 2.5887 2.8412 2.8412 2.8568 2.8568
9.6393 9.6393 9.6514 9.6514 10.5404 10.5404 10.5475 10.5475
10.8177 10.8177
k = 0.3072 0.5321 0.2082 ( 5426 PWs) bands (ev):
-28.9505 -28.9505 -28.9505 -28.9505 -14.0578 -14.0578 -13.9870 -13.9870
-11.9124 -11.9124 -11.5725 -11.5725 -10.9112 -10.9112 -10.8248 -10.8248
-10.5545 -10.5545 -10.2983 -10.2983 -9.5981 -9.5981 -9.5394 -9.5394
-0.9540 -0.9540 -0.9329 -0.9329 1.2544 1.2544 1.2953 1.2953
1.6310 1.6310 1.6433 1.6433 1.7278 1.7278 1.7737 1.7737
2.5825 2.5825 2.5900 2.5900 2.8398 2.8398 2.8556 2.8556
9.6370 9.6370 9.6490 9.6490 10.5401 10.5402 10.5472 10.5472
10.8192 10.8193
k = 0.3007 0.5207 0.2082 ( 5426 PWs) bands (ev):
-28.9507 -28.9507 -28.9507 -28.9507 -14.0563 -14.0563 -13.9863 -13.9863
-11.9102 -11.9102 -11.5742 -11.5742 -10.9091 -10.9091 -10.8234 -10.8234
-10.5563 -10.5563 -10.3014 -10.3014 -9.5977 -9.5977 -9.5393 -9.5393
-0.9552 -0.9552 -0.9345 -0.9345 1.2542 1.2542 1.2939 1.2939
1.6308 1.6308 1.6444 1.6444 1.7336 1.7336 1.7790 1.7790
2.5838 2.5838 2.5916 2.5916 2.8381 2.8381 2.8541 2.8541
9.6343 9.6343 9.6461 9.6461 10.5404 10.5404 10.5475 10.5475
10.8194 10.8194
k = 0.2941 0.5094 0.2082 ( 5418 PWs) bands (ev):
-28.9509 -28.9509 -28.9509 -28.9509 -14.0544 -14.0544 -13.9854 -13.9854
-11.9077 -11.9077 -11.5761 -11.5761 -10.9070 -10.9070 -10.8215 -10.8215
-10.5583 -10.5583 -10.3051 -10.3051 -9.5975 -9.5975 -9.5392 -9.5392
-0.9567 -0.9567 -0.9363 -0.9363 1.2541 1.2541 1.2925 1.2925
1.6309 1.6309 1.6456 1.6456 1.7405 1.7405 1.7853 1.7853
2.5852 2.5852 2.5935 2.5935 2.8360 2.8360 2.8523 2.8523
9.6313 9.6313 9.6430 9.6430 10.5411 10.5411 10.5483 10.5483
10.8174 10.8174
k = 0.2876 0.4981 0.2082 ( 5414 PWs) bands (ev):
-28.9511 -28.9511 -28.9511 -28.9511 -14.0522 -14.0522 -13.9842 -13.9842
-11.9050 -11.9050 -11.5782 -11.5782 -10.9049 -10.9049 -10.8192 -10.8192
-10.5604 -10.5604 -10.3090 -10.3090 -9.5974 -9.5974 -9.5392 -9.5392
-0.9585 -0.9585 -0.9384 -0.9384 1.2542 1.2542 1.2911 1.2911
1.6315 1.6315 1.6470 1.6470 1.7484 1.7484 1.7924 1.7924
2.5867 2.5867 2.5956 2.5956 2.8336 2.8336 2.8501 2.8501
9.6283 9.6283 9.6398 9.6398 10.5421 10.5421 10.5495 10.5495
10.8124 10.8124
k = 0.2810 0.4868 0.2082 ( 5422 PWs) bands (ev):
-28.9513 -28.9513 -28.9513 -28.9513 -14.0496 -14.0496 -13.9828 -13.9828
-11.9021 -11.9021 -11.5805 -11.5805 -10.9030 -10.9030 -10.8163 -10.8163
-10.5627 -10.5627 -10.3133 -10.3133 -9.5975 -9.5975 -9.5392 -9.5392
-0.9604 -0.9604 -0.9408 -0.9408 1.2545 1.2545 1.2898 1.2898
1.6325 1.6325 1.6488 1.6488 1.7571 1.7571 1.8002 1.8002
2.5884 2.5884 2.5979 2.5979 2.8308 2.8308 2.8476 2.8476
9.6253 9.6253 9.6366 9.6366 10.5433 10.5433 10.5510 10.5510
10.8037 10.8037
k = 0.2745 0.4755 0.2082 ( 5422 PWs) bands (ev):
-28.9516 -28.9516 -28.9516 -28.9516 -14.0466 -14.0466 -13.9810 -13.9810
-11.8991 -11.8991 -11.5829 -11.5829 -10.9015 -10.9015 -10.8129 -10.8129
-10.5649 -10.5649 -10.3177 -10.3177 -9.5978 -9.5978 -9.5393 -9.5393
-0.9626 -0.9626 -0.9435 -0.9435 1.2549 1.2549 1.2887 1.2887
1.6340 1.6340 1.6509 1.6509 1.7666 1.7666 1.8086 1.8086
2.5901 2.5901 2.6003 2.6003 2.8276 2.8276 2.8447 2.8447
9.6225 9.6225 9.6337 9.6337 10.5444 10.5444 10.5526 10.5526
10.7904 10.7904
k = 0.2680 0.4641 0.2082 ( 5416 PWs) bands (ev):
-28.9520 -28.9520 -28.9520 -28.9520 -14.0432 -14.0432 -13.9790 -13.9790
-11.8960 -11.8960 -11.5854 -11.5854 -10.9003 -10.9003 -10.8089 -10.8089
-10.5672 -10.5672 -10.3223 -10.3223 -9.5983 -9.5983 -9.5395 -9.5395
-0.9649 -0.9649 -0.9463 -0.9463 1.2557 1.2557 1.2878 1.2878
1.6361 1.6361 1.6535 1.6535 1.7766 1.7766 1.8175 1.8175
2.5919 2.5919 2.6028 2.6028 2.8240 2.8240 2.8414 2.8414
9.6200 9.6200 9.6310 9.6310 10.5453 10.5453 10.5539 10.5539
10.7720 10.7720
k = 0.2614 0.4528 0.2082 ( 5424 PWs) bands (ev):
-28.9523 -28.9523 -28.9523 -28.9523 -14.0395 -14.0395 -13.9766 -13.9766
-11.8930 -11.8930 -11.5879 -11.5879 -10.8997 -10.8997 -10.8043 -10.8043
-10.5693 -10.5693 -10.3269 -10.3269 -9.5991 -9.5991 -9.5398 -9.5398
-0.9675 -0.9675 -0.9494 -0.9494 1.2567 1.2567 1.2872 1.2872
1.6389 1.6389 1.6566 1.6566 1.7872 1.7872 1.8269 1.8269
2.5936 2.5936 2.6052 2.6052 2.8202 2.8202 2.8378 2.8378
9.6179 9.6179 9.6288 9.6288 10.5456 10.5456 10.5549 10.5549
10.7481 10.7481
k = 0.2549 0.4415 0.2082 ( 5418 PWs) bands (ev):
-28.9527 -28.9527 -28.9527 -28.9527 -14.0354 -14.0354 -13.9738 -13.9738
-11.8901 -11.8901 -11.5903 -11.5903 -10.8995 -10.8995 -10.7993 -10.7993
-10.5712 -10.5712 -10.3315 -10.3315 -9.6002 -9.6002 -9.5402 -9.5402
-0.9701 -0.9701 -0.9526 -0.9526 1.2580 1.2580 1.2869 1.2869
1.6423 1.6423 1.6604 1.6604 1.7982 1.7982 1.8366 1.8366
2.5953 2.5953 2.6077 2.6077 2.8160 2.8160 2.8339 2.8339
9.6164 9.6164 9.6270 9.6270 10.5452 10.5452 10.5552 10.5552
10.7189 10.7190
k = 0.2484 0.4302 0.2082 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9532 -28.9532 -14.0309 -14.0309 -13.9707 -13.9707
-11.8873 -11.8873 -11.5927 -11.5927 -10.8999 -10.8999 -10.7938 -10.7938
-10.5728 -10.5728 -10.3361 -10.3361 -9.6016 -9.6016 -9.5407 -9.5407
-0.9729 -0.9729 -0.9560 -0.9560 1.2597 1.2597 1.2871 1.2871
1.6465 1.6465 1.6648 1.6648 1.8096 1.8096 1.8466 1.8466
2.5969 2.5969 2.6101 2.6101 2.8114 2.8115 2.8296 2.8296
9.6154 9.6154 9.6259 9.6259 10.5436 10.5436 10.5546 10.5546
10.6851 10.6851
k = 0.2418 0.4189 0.2082 ( 5410 PWs) bands (ev):
-28.9537 -28.9537 -28.9537 -28.9537 -14.0260 -14.0260 -13.9672 -13.9672
-11.8848 -11.8848 -11.5949 -11.5949 -10.9008 -10.9008 -10.7880 -10.7880
-10.5741 -10.5741 -10.3406 -10.3406 -9.6033 -9.6033 -9.5414 -9.5414
-0.9759 -0.9759 -0.9596 -0.9596 1.2618 1.2618 1.2876 1.2876
1.6515 1.6515 1.6699 1.6699 1.8211 1.8211 1.8568 1.8568
2.5983 2.5983 2.6123 2.6123 2.8066 2.8066 2.8250 2.8250
9.6151 9.6151 9.6254 9.6254 10.5399 10.5399 10.5522 10.5522
10.6479 10.6479
k = 0.2353 0.4075 0.2082 ( 5416 PWs) bands (ev):
-28.9542 -28.9542 -28.9542 -28.9542 -14.0208 -14.0208 -13.9633 -13.9633
-11.8825 -11.8825 -11.5969 -11.5969 -10.9022 -10.9022 -10.7821 -10.7821
-10.5750 -10.5750 -10.3450 -10.3450 -9.6053 -9.6053 -9.5423 -9.5423
-0.9790 -0.9790 -0.9633 -0.9633 1.2643 1.2643 1.2886 1.2886
1.6574 1.6574 1.6757 1.6757 1.8329 1.8329 1.8671 1.8671
2.5996 2.5996 2.6145 2.6145 2.8016 2.8016 2.8201 2.8201
9.6154 9.6154 9.6256 9.6256 10.5314 10.5314 10.5454 10.5454
10.6108 10.6108
k = 0.2288 0.3962 0.2082 ( 5418 PWs) bands (ev):
-28.9548 -28.9548 -28.9548 -28.9548 -14.0153 -14.0153 -13.9591 -13.9591
-11.8805 -11.8805 -11.5988 -11.5988 -10.9040 -10.9040 -10.7761 -10.7761
-10.5754 -10.5754 -10.3494 -10.3494 -9.6075 -9.6075 -9.5434 -9.5434
-0.9823 -0.9823 -0.9672 -0.9672 1.2673 1.2673 1.2901 1.2901
1.6641 1.6641 1.6823 1.6823 1.8447 1.8447 1.8776 1.8776
2.6007 2.6007 2.6164 2.6164 2.7962 2.7962 2.8150 2.8150
9.6163 9.6163 9.6263 9.6263 10.5121 10.5121 10.5259 10.5259
10.5830 10.5830
k = 0.2222 0.3849 0.2082 ( 5418 PWs) bands (ev):
-28.9553 -28.9553 -28.9553 -28.9553 -14.0095 -14.0095 -13.9544 -13.9544
-11.8788 -11.8788 -11.6004 -11.6004 -10.9061 -10.9061 -10.7701 -10.7701
-10.5754 -10.5754 -10.3536 -10.3536 -9.6100 -9.6100 -9.5446 -9.5446
-0.9857 -0.9857 -0.9712 -0.9712 1.2708 1.2708 1.2921 1.2921
1.6717 1.6717 1.6897 1.6897 1.8565 1.8565 1.8880 1.8880
2.6016 2.6016 2.6182 2.6182 2.7907 2.7907 2.8096 2.8096
9.6178 9.6178 9.6275 9.6275 10.4764 10.4764 10.4885 10.4885
10.5704 10.5705
k = 0.2157 0.3736 0.2082 ( 5424 PWs) bands (ev):
-28.9560 -28.9560 -28.9560 -28.9560 -14.0033 -14.0033 -13.9494 -13.9494
-11.8774 -11.8774 -11.6019 -11.6019 -10.9085 -10.9085 -10.7643 -10.7643
-10.5748 -10.5748 -10.3578 -10.3578 -9.6126 -9.6126 -9.5460 -9.5460
-0.9893 -0.9893 -0.9754 -0.9754 1.2748 1.2748 1.2947 1.2947
1.6802 1.6802 1.6979 1.6979 1.8682 1.8682 1.8984 1.8984
2.6023 2.6023 2.6197 2.6197 2.7850 2.7850 2.8040 2.8040
9.6196 9.6196 9.6292 9.6292 10.4292 10.4292 10.4410 10.4410
10.5649 10.5651
k = 0.2092 0.3623 0.2082 ( 5428 PWs) bands (ev):
-28.9566 -28.9566 -28.9566 -28.9566 -13.9969 -13.9969 -13.9440 -13.9440
-11.8764 -11.8764 -11.6031 -11.6031 -10.9111 -10.9111 -10.7588 -10.7588
-10.5738 -10.5738 -10.3620 -10.3620 -9.6154 -9.6154 -9.5475 -9.5475
-0.9929 -0.9929 -0.9797 -0.9797 1.2794 1.2794 1.2979 1.2979
1.6896 1.6896 1.7068 1.7068 1.8798 1.8798 1.9087 1.9087
2.6027 2.6027 2.6211 2.6211 2.7791 2.7791 2.7982 2.7982
9.6217 9.6217 9.6311 9.6311 10.3766 10.3766 10.3886 10.3886
10.5618 10.5619
k = 0.2026 0.3509 0.2082 ( 5424 PWs) bands (ev):
-28.9573 -28.9573 -28.9573 -28.9573 -13.9902 -13.9902 -13.9383 -13.9383
-11.8757 -11.8757 -11.6041 -11.6041 -10.9138 -10.9138 -10.7536 -10.7536
-10.5722 -10.5722 -10.3661 -10.3661 -9.6184 -9.6184 -9.5493 -9.5493
-0.9968 -0.9968 -0.9841 -0.9841 1.2846 1.2846 1.3017 1.3017
1.6998 1.6998 1.7166 1.7166 1.8911 1.8911 1.9188 1.9188
2.6029 2.6029 2.6222 2.6222 2.7730 2.7730 2.7923 2.7923
9.6237 9.6237 9.6329 9.6329 10.3212 10.3212 10.3334 10.3334
10.5599 10.5600
k = 0.1961 0.3396 0.2082 ( 5438 PWs) bands (ev):
-28.9580 -28.9580 -28.9580 -28.9580 -13.9833 -13.9833 -13.9323 -13.9323
-11.8752 -11.8752 -11.6050 -11.6050 -10.9165 -10.9165 -10.7487 -10.7487
-10.5701 -10.5701 -10.3703 -10.3703 -9.6214 -9.6214 -9.5512 -9.5512
-1.0008 -1.0008 -0.9887 -0.9887 1.2904 1.2904 1.3062 1.3062
1.7109 1.7109 1.7271 1.7271 1.9020 1.9020 1.9287 1.9287
2.6029 2.6029 2.6230 2.6230 2.7669 2.7669 2.7864 2.7864
9.6254 9.6254 9.6344 9.6344 10.2645 10.2645 10.2768 10.2768
10.5588 10.5588
k = 0.1895 0.3283 0.2082 ( 5442 PWs) bands (ev):
-28.9587 -28.9587 -28.9587 -28.9587 -13.9762 -13.9762 -13.9260 -13.9259
-11.8750 -11.8750 -11.6057 -11.6057 -10.9192 -10.9192 -10.7442 -10.7442
-10.5676 -10.5676 -10.3746 -10.3746 -9.6244 -9.6244 -9.5532 -9.5532
-1.0049 -1.0049 -0.9934 -0.9934 1.2969 1.2969 1.3113 1.3113
1.7228 1.7228 1.7384 1.7384 1.9124 1.9124 1.9383 1.9383
2.6027 2.6027 2.6237 2.6237 2.7608 2.7608 2.7804 2.7804
9.6262 9.6262 9.6351 9.6351 10.2072 10.2072 10.2196 10.2196
10.5582 10.5583
k = 0.1830 0.3170 0.2082 ( 5444 PWs) bands (ev):
-28.9595 -28.9595 -28.9595 -28.9595 -13.9688 -13.9688 -13.9193 -13.9193
-11.8750 -11.8750 -11.6064 -11.6064 -10.9218 -10.9218 -10.7402 -10.7402
-10.5648 -10.5648 -10.3789 -10.3789 -9.6274 -9.6274 -9.5554 -9.5554
-1.0092 -1.0092 -0.9983 -0.9983 1.3041 1.3041 1.3171 1.3171
1.7355 1.7355 1.7504 1.7504 1.9223 1.9223 1.9475 1.9475
2.6024 2.6024 2.6242 2.6242 2.7546 2.7546 2.7744 2.7744
9.6256 9.6256 9.6343 9.6343 10.1505 10.1505 10.1629 10.1629
10.5582 10.5583
k = 0.1765 0.3057 0.2082 ( 5444 PWs) bands (ev):
-28.9603 -28.9602 -28.9602 -28.9602 -13.9613 -13.9613 -13.9125 -13.9125
-11.8750 -11.8750 -11.6070 -11.6070 -10.9242 -10.9242 -10.7365 -10.7365
-10.5617 -10.5617 -10.3834 -10.3834 -9.6303 -9.6303 -9.5576 -9.5576
-1.0136 -1.0136 -1.0033 -1.0033 1.3119 1.3119 1.3236 1.3236
1.7488 1.7488 1.7632 1.7632 1.9316 1.9316 1.9563 1.9563
2.6019 2.6019 2.6246 2.6246 2.7485 2.7485 2.7685 2.7685
9.6225 9.6225 9.6310 9.6310 10.0954 10.0954 10.1078 10.1078
10.5588 10.5589
k = 0.1699 0.2943 0.2082 ( 5448 PWs) bands (ev):
-28.9610 -28.9610 -28.9610 -28.9610 -13.9537 -13.9537 -13.9054 -13.9054
-11.8751 -11.8751 -11.6077 -11.6077 -10.9264 -10.9264 -10.7332 -10.7332
-10.5584 -10.5584 -10.3881 -10.3881 -9.6331 -9.6331 -9.5600 -9.5600
-1.0182 -1.0182 -1.0084 -1.0084 1.3204 1.3204 1.3309 1.3309
1.7626 1.7626 1.7766 1.7766 1.9402 1.9402 1.9645 1.9645
2.6014 2.6014 2.6249 2.6249 2.7425 2.7425 2.7626 2.7626
9.6158 9.6158 9.6242 9.6242 10.0432 10.0432 10.0557 10.0557
10.5598 10.5599
k = 0.1634 0.2830 0.2082 ( 5454 PWs) bands (ev):
-28.9618 -28.9618 -28.9618 -28.9618 -13.9459 -13.9459 -13.8982 -13.8982
-11.8752 -11.8752 -11.6085 -11.6085 -10.9282 -10.9282 -10.7303 -10.7303
-10.5550 -10.5550 -10.3931 -10.3931 -9.6357 -9.6357 -9.5624 -9.5624
-1.0230 -1.0230 -1.0136 -1.0136 1.3295 1.3295 1.3389 1.3389
1.7768 1.7768 1.7907 1.7907 1.9479 1.9479 1.9723 1.9723
2.6009 2.6009 2.6252 2.6252 2.7366 2.7366 2.7569 2.7569
9.6040 9.6040 9.6121 9.6121 9.9958 9.9958 10.0082 10.0082
10.5614 10.5615
k = 0.1569 0.2717 0.2082 ( 5458 PWs) bands (ev):
-28.9626 -28.9626 -28.9626 -28.9626 -13.9381 -13.9381 -13.8909 -13.8909
-11.8752 -11.8752 -11.6094 -11.6094 -10.9297 -10.9297 -10.7277 -10.7277
-10.5516 -10.5516 -10.3984 -10.3984 -9.6381 -9.6381 -9.5649 -9.5649
-1.0278 -1.0278 -1.0189 -1.0189 1.3393 1.3393 1.3477 1.3477
1.7912 1.7912 1.8053 1.8053 1.9549 1.9549 1.9794 1.9794
2.6004 2.6004 2.6254 2.6254 2.7308 2.7308 2.7514 2.7514
9.5852 9.5852 9.5931 9.5931 9.9549 9.9549 9.9672 9.9672
10.5636 10.5636
k = 0.1503 0.2604 0.2082 ( 5456 PWs) bands (ev):
-28.9634 -28.9634 -28.9634 -28.9634 -13.9301 -13.9301 -13.8835 -13.8835
-11.8750 -11.8750 -11.6105 -11.6105 -10.9307 -10.9307 -10.7253 -10.7253
-10.5483 -10.5483 -10.4041 -10.4041 -9.6403 -9.6403 -9.5674 -9.5674
-1.0328 -1.0328 -1.0243 -1.0243 1.3497 1.3497 1.3573 1.3573
1.8058 1.8058 1.8204 1.8204 1.9610 1.9610 1.9859 1.9859
2.6001 2.6001 2.6257 2.6257 2.7253 2.7253 2.7461 2.7461
9.5582 9.5582 9.5657 9.5657 9.9222 9.9222 9.9341 9.9341
10.5664 10.5664
k = 0.1438 0.2491 0.2082 ( 5456 PWs) bands (ev):
-28.9642 -28.9642 -28.9642 -28.9642 -13.9221 -13.9221 -13.8761 -13.8761
-11.8746 -11.8746 -11.6119 -11.6119 -10.9312 -10.9312 -10.7232 -10.7232
-10.5452 -10.5452 -10.4101 -10.4101 -9.6421 -9.6421 -9.5699 -9.5699
-1.0379 -1.0379 -1.0298 -1.0298 1.3606 1.3606 1.3677 1.3677
1.8203 1.8203 1.8358 1.8358 1.9662 1.9662 1.9917 1.9917
2.6000 2.6000 2.6261 2.6261 2.7201 2.7201 2.7411 2.7411
9.5225 9.5225 9.5296 9.5296 9.8981 9.8981 9.9096 9.9096
10.5696 10.5697
k = 0.1373 0.2377 0.2082 ( 5452 PWs) bands (ev):
-28.9650 -28.9650 -28.9650 -28.9650 -13.9141 -13.9141 -13.8688 -13.8688
-11.8739 -11.8739 -11.6136 -11.6136 -10.9311 -10.9311 -10.7214 -10.7214
-10.5423 -10.5423 -10.4166 -10.4166 -9.6437 -9.6437 -9.5724 -9.5724
-1.0430 -1.0430 -1.0353 -1.0353 1.3721 1.3721 1.3789 1.3789
1.8346 1.8346 1.8514 1.8514 1.9705 1.9705 1.9969 1.9969
2.6001 2.6001 2.6266 2.6266 2.7153 2.7153 2.7364 2.7364
9.4789 9.4789 9.4858 9.4858 9.8819 9.8819 9.8929 9.8929
10.5734 10.5735
k = 0.1307 0.2264 0.2082 ( 5460 PWs) bands (ev):
-28.9658 -28.9658 -28.9658 -28.9658 -13.9061 -13.9061 -13.8615 -13.8615
-11.8728 -11.8728 -11.6156 -11.6156 -10.9304 -10.9304 -10.7198 -10.7198
-10.5398 -10.5398 -10.4234 -10.4234 -9.6448 -9.6448 -9.5748 -9.5748
-1.0482 -1.0482 -1.0409 -1.0409 1.3841 1.3841 1.3909 1.3909
1.8484 1.8484 1.8670 1.8670 1.9739 1.9739 2.0014 2.0014
2.6006 2.6006 2.6273 2.6273 2.7109 2.7109 2.7320 2.7320
9.4292 9.4292 9.4359 9.4359 9.8720 9.8720 9.8825 9.8825
10.5777 10.5778
k = 0.1242 0.2151 0.2082 ( 5456 PWs) bands (ev):
-28.9666 -28.9666 -28.9666 -28.9666 -13.8982 -13.8982 -13.8543 -13.8543
-11.8713 -11.8713 -11.6181 -11.6181 -10.9292 -10.9292 -10.7183 -10.7183
-10.5376 -10.5376 -10.4307 -10.4307 -9.6457 -9.6457 -9.5772 -9.5772
-1.0534 -1.0534 -1.0465 -1.0465 1.3966 1.3966 1.4036 1.4036
1.8617 1.8617 1.8822 1.8822 1.9764 1.9764 2.0052 2.0052
2.6015 2.6015 2.6282 2.6282 2.7070 2.7070 2.7281 2.7281
9.3752 9.3752 9.3818 9.3818 9.8666 9.8666 9.8769 9.8769
10.5825 10.5825
k = 0.1176 0.2038 0.2082 ( 5456 PWs) bands (ev):
-28.9674 -28.9674 -28.9674 -28.9674 -13.8903 -13.8903 -13.8473 -13.8473
-11.8694 -11.8694 -11.6210 -11.6210 -10.9272 -10.9272 -10.7171 -10.7171
-10.5358 -10.5358 -10.4385 -10.4385 -9.6461 -9.6461 -9.5795 -9.5795
-1.0586 -1.0586 -1.0520 -1.0520 1.4095 1.4095 1.4169 1.4169
1.8743 1.8743 1.8970 1.8970 1.9781 1.9781 2.0083 2.0083
2.6029 2.6029 2.6293 2.6293 2.7037 2.7037 2.7245 2.7245
9.3185 9.3185 9.3251 9.3251 9.8644 9.8644 9.8746 9.8746
10.5877 10.5877
k = 0.1111 0.1925 0.2082 ( 5452 PWs) bands (ev):
-28.9681 -28.9681 -28.9681 -28.9681 -13.8825 -13.8825 -13.8406 -13.8406
-11.8669 -11.8669 -11.6244 -11.6244 -10.9245 -10.9245 -10.7161 -10.7161
-10.5344 -10.5344 -10.4465 -10.4465 -9.6462 -9.6462 -9.5818 -9.5818
-1.0638 -1.0638 -1.0576 -1.0576 1.4229 1.4229 1.4309 1.4309
1.8859 1.8859 1.9110 1.9110 1.9792 1.9792 2.0107 2.0107
2.6048 2.6048 2.6307 2.6307 2.7011 2.7011 2.7213 2.7213
9.2605 9.2605 9.2671 9.2671 9.8643 9.8643 9.8744 9.8744
10.5933 10.5934
k = 0.1046 0.1811 0.2082 ( 5448 PWs) bands (ev):
-28.9688 -28.9688 -28.9688 -28.9688 -13.8748 -13.8748 -13.8341 -13.8341
-11.8640 -11.8640 -11.6282 -11.6282 -10.9212 -10.9212 -10.7154 -10.7154
-10.5334 -10.5334 -10.4550 -10.4550 -9.6460 -9.6460 -9.5840 -9.5840
-1.0690 -1.0690 -1.0630 -1.0630 1.4367 1.4367 1.4453 1.4453
1.8965 1.8965 1.9238 1.9238 1.9796 1.9796 2.0126 2.0126
2.6072 2.6072 2.6323 2.6323 2.6991 2.6991 2.7186 2.7186
9.2021 9.2021 9.2088 9.2088 9.8656 9.8656 9.8757 9.8757
10.5993 10.5993
k = 0.0980 0.1698 0.2082 ( 5448 PWs) bands (ev):
-28.9695 -28.9695 -28.9695 -28.9695 -13.8673 -13.8673 -13.8279 -13.8279
-11.8604 -11.8604 -11.6326 -11.6326 -10.9170 -10.9170 -10.7150 -10.7150
-10.5329 -10.5329 -10.4637 -10.4637 -9.6454 -9.6454 -9.5862 -9.5862
-1.0740 -1.0740 -1.0683 -1.0683 1.4510 1.4510 1.4601 1.4601
1.9059 1.9059 1.9353 1.9353 1.9797 1.9797 2.0138 2.0138
2.6102 2.6102 2.6342 2.6342 2.6978 2.6978 2.7164 2.7164
9.1443 9.1443 9.1508 9.1508 9.8677 9.8677 9.8778 9.8778
10.6056 10.6056
k = 0.0915 0.1585 0.2082 ( 5444 PWs) bands (ev):
-28.9702 -28.9702 -28.9702 -28.9702 -13.8600 -13.8599 -13.8221 -13.8221
-11.8564 -11.8564 -11.6375 -11.6375 -10.9122 -10.9122 -10.7148 -10.7148
-10.5327 -10.5327 -10.4726 -10.4726 -9.6445 -9.6445 -9.5882 -9.5882
-1.0789 -1.0789 -1.0735 -1.0735 1.4655 1.4655 1.4753 1.4753
1.9140 1.9140 1.9450 1.9450 1.9797 1.9797 2.0144 2.0144
2.6138 2.6138 2.6364 2.6364 2.6973 2.6973 2.7147 2.7147
9.0875 9.0875 9.0940 9.0940 9.8703 9.8703 9.8803 9.8803
10.6122 10.6122
k = 0.0850 0.1472 0.2082 ( 5444 PWs) bands (ev):
-28.9709 -28.9709 -28.9709 -28.9709 -13.8528 -13.8528 -13.8167 -13.8167
-11.8517 -11.8517 -11.6429 -11.6429 -10.9066 -10.9066 -10.7151 -10.7151
-10.5330 -10.5330 -10.4815 -10.4815 -9.6433 -9.6433 -9.5902 -9.5902
-1.0836 -1.0836 -1.0786 -1.0786 1.4804 1.4804 1.4906 1.4906
1.9208 1.9208 1.9523 1.9523 1.9801 1.9801 2.0143 2.0143
2.6179 2.6179 2.6387 2.6387 2.6975 2.6975 2.7134 2.7134
9.0324 9.0324 9.0388 9.0388 9.8730 9.8730 9.8830 9.8830
10.6190 10.6191
k = 0.0784 0.1358 0.2082 ( 5448 PWs) bands (ev):
-28.9715 -28.9715 -28.9715 -28.9715 -13.8460 -13.8460 -13.8117 -13.8117
-11.8465 -11.8465 -11.6488 -11.6488 -10.9004 -10.9004 -10.7158 -10.7158
-10.5336 -10.5336 -10.4905 -10.4905 -9.6418 -9.6418 -9.5922 -9.5922
-1.0882 -1.0882 -1.0834 -1.0834 1.4954 1.4954 1.5060 1.5060
1.9262 1.9262 1.9568 1.9568 1.9815 1.9815 2.0136 2.0136
2.6225 2.6225 2.6414 2.6414 2.6985 2.6985 2.7126 2.7126
8.9795 8.9795 8.9856 8.9856 9.8758 9.8758 9.8856 9.8856
10.6261 10.6261
k = 0.0719 0.1245 0.2082 ( 5448 PWs) bands (ev):
-28.9721 -28.9721 -28.9721 -28.9721 -13.8393 -13.8393 -13.8071 -13.8071
-11.8408 -11.8408 -11.6552 -11.6552 -10.8934 -10.8934 -10.7171 -10.7171
-10.5346 -10.5346 -10.4993 -10.4993 -9.6401 -9.6401 -9.5940 -9.5940
-1.0925 -1.0925 -1.0881 -1.0881 1.5105 1.5105 1.5214 1.5214
1.9305 1.9305 1.9584 1.9584 1.9838 1.9838 2.0122 2.0122
2.6274 2.6274 2.6441 2.6441 2.7001 2.7001 2.7123 2.7123
8.9291 8.9291 8.9350 8.9350 9.8785 9.8785 9.8880 9.8880
10.6334 10.6334
k = 0.0654 0.1132 0.2082 ( 5440 PWs) bands (ev):
-28.9726 -28.9726 -28.9726 -28.9726 -13.8330 -13.8330 -13.8031 -13.8031
-11.8345 -11.8345 -11.6620 -11.6620 -10.8857 -10.8857 -10.7191 -10.7191
-10.5358 -10.5358 -10.5077 -10.5077 -9.6382 -9.6382 -9.5959 -9.5959
-1.0965 -1.0965 -1.0924 -1.0924 1.5255 1.5255 1.5366 1.5366
1.9336 1.9336 1.9579 1.9579 1.9863 1.9863 2.0102 2.0102
2.6326 2.6326 2.6470 2.6470 2.7022 2.7022 2.7125 2.7125
8.8818 8.8818 8.8873 8.8873 9.8809 9.8809 9.8901 9.8901
10.6408 10.6408
k = 0.0588 0.1019 0.2082 ( 5448 PWs) bands (ev):
-28.9731 -28.9731 -28.9731 -28.9731 -13.8271 -13.8271 -13.7995 -13.7995
-11.8277 -11.8277 -11.6694 -11.6694 -10.8775 -10.8775 -10.7218 -10.7218
-10.5373 -10.5373 -10.5157 -10.5157 -9.6361 -9.6361 -9.5977 -9.5977
-1.1002 -1.1002 -1.0965 -1.0965 1.5403 1.5403 1.5513 1.5513
1.9357 1.9357 1.9564 1.9564 1.9883 1.9883 2.0075 2.0075
2.6378 2.6378 2.6500 2.6500 2.7048 2.7048 2.7131 2.7131
8.8378 8.8378 8.8430 8.8430 9.8831 9.8831 9.8918 9.8918
10.6482 10.6482
k = 0.0523 0.0906 0.2082 ( 5454 PWs) bands (ev):
-28.9735 -28.9735 -28.9735 -28.9735 -13.8215 -13.8215 -13.7965 -13.7965
-11.8203 -11.8203 -11.6771 -11.6771 -10.8686 -10.8686 -10.7253 -10.7253
-10.5390 -10.5390 -10.5230 -10.5230 -9.6339 -9.6339 -9.5996 -9.5996
-1.1036 -1.1036 -1.1003 -1.1003 1.5548 1.5548 1.5655 1.5655
1.9369 1.9369 1.9542 1.9542 1.9896 1.9896 2.0043 2.0043
2.6429 2.6429 2.6529 2.6529 2.7078 2.7078 2.7141 2.7141
8.7975 8.7975 8.8022 8.8022 9.8850 9.8850 9.8931 9.8931
10.6556 10.6557
k = 0.0458 0.0792 0.2082 ( 5450 PWs) bands (ev):
-28.9739 -28.9739 -28.9739 -28.9739 -13.8162 -13.8162 -13.7940 -13.7940
-11.8126 -11.8126 -11.6853 -11.6853 -10.8592 -10.8592 -10.7298 -10.7298
-10.5407 -10.5407 -10.5296 -10.5296 -9.6316 -9.6316 -9.6014 -9.6014
-1.1066 -1.1066 -1.1037 -1.1037 1.5686 1.5686 1.5789 1.5789
1.9373 1.9373 1.9519 1.9519 1.9899 1.9899 2.0007 2.0007
2.6477 2.6477 2.6557 2.6557 2.7109 2.7109 2.7155 2.7155
8.7612 8.7612 8.7655 8.7655 9.8867 9.8867 9.8941 9.8941
10.6629 10.6629
k = 0.0392 0.0679 0.2082 ( 5454 PWs) bands (ev):
-28.9743 -28.9743 -28.9743 -28.9743 -13.8114 -13.8114 -13.7921 -13.7921
-11.8044 -11.8044 -11.6938 -11.6938 -10.8494 -10.8494 -10.7352 -10.7352
-10.5425 -10.5425 -10.5353 -10.5353 -9.6293 -9.6293 -9.6032 -9.6032
-1.1093 -1.1093 -1.1067 -1.1067 1.5816 1.5816 1.5912 1.5912
1.9372 1.9372 1.9495 1.9495 1.9896 1.9896 1.9969 1.9969
2.6520 2.6520 2.6582 2.6582 2.7141 2.7141 2.7171 2.7171
8.7292 8.7292 8.7329 8.7329 9.8880 9.8880 9.8946 9.8946
10.6699 10.6700
k = 0.0327 0.0566 0.2082 ( 5454 PWs) bands (ev):
-28.9746 -28.9746 -28.9746 -28.9746 -13.8070 -13.8070 -13.7907 -13.7907
-11.7959 -11.7959 -11.7026 -11.7026 -10.8392 -10.8392 -10.7416 -10.7416
-10.5443 -10.5443 -10.5400 -10.5400 -9.6269 -9.6269 -9.6051 -9.6051
-1.1115 -1.1115 -1.1094 -1.1094 1.5935 1.5935 1.6022 1.6022
1.9367 1.9367 1.9471 1.9471 1.9886 1.9886 1.9932 1.9932
2.6558 2.6558 2.6605 2.6605 2.7172 2.7172 2.7190 2.7190
8.7017 8.7017 8.7049 8.7049 9.8892 9.8892 9.8948 9.8948
10.6766 10.6766
k = 0.0261 0.0453 0.2082 ( 5462 PWs) bands (ev):
-28.9748 -28.9748 -28.9748 -28.9748 -13.8030 -13.8030 -13.7899 -13.7899
-11.7870 -11.7870 -11.7117 -11.7117 -10.8287 -10.8287 -10.7490 -10.7490
-10.5460 -10.5460 -10.5437 -10.5437 -9.6245 -9.6245 -9.6070 -9.6070
-1.1133 -1.1133 -1.1116 -1.1116 1.6041 1.6041 1.6115 1.6115
1.9361 1.9361 1.9447 1.9447 1.9873 1.9873 1.9898 1.9898
2.6589 2.6589 2.6624 2.6624 2.7199 2.7199 2.7209 2.7209
8.6789 8.6789 8.6815 8.6815 9.8902 9.8902 9.8947 9.8947
10.6826 10.6826
k = 0.0196 0.0340 0.2082 ( 5470 PWs) bands (ev):
-28.9750 -28.9750 -28.9750 -28.9750 -13.7996 -13.7996 -13.7896 -13.7896
-11.7779 -11.7779 -11.7210 -11.7210 -10.8180 -10.8180 -10.7572 -10.7572
-10.5475 -10.5475 -10.5465 -10.5465 -9.6222 -9.6222 -9.6090 -9.6090
-1.1147 -1.1147 -1.1134 -1.1134 1.6130 1.6130 1.6188 1.6188
1.9356 1.9356 1.9424 1.9424 1.9859 1.9859 1.9870 1.9870
2.6613 2.6613 2.6638 2.6638 2.7222 2.7222 2.7226 2.7226
8.6611 8.6611 8.6631 8.6631 9.8910 9.8910 9.8945 9.8945
10.6880 10.6880
k = 0.0131 0.0226 0.2082 ( 5478 PWs) bands (ev):
-28.9752 -28.9752 -28.9752 -28.9752 -13.7966 -13.7966 -13.7899 -13.7899
-11.7686 -11.7686 -11.7304 -11.7304 -10.8073 -10.8073 -10.7663 -10.7663
-10.5487 -10.5487 -10.5484 -10.5484 -9.6198 -9.6198 -9.6110 -9.6110
-1.1157 -1.1157 -1.1148 -1.1148 1.6199 1.6199 1.6240 1.6240
1.9355 1.9355 1.9403 1.9403 1.9847 1.9847 1.9850 1.9850
2.6632 2.6632 2.6648 2.6648 2.7239 2.7239 2.7240 2.7240
8.6484 8.6484 8.6497 8.6497 9.8917 9.8917 9.8941 9.8941
10.6924 10.6925
k = 0.0065 0.0113 0.2082 ( 5494 PWs) bands (ev):
-28.9753 -28.9753 -28.9753 -28.9753 -13.7941 -13.7941 -13.7908 -13.7908
-11.7591 -11.7591 -11.7400 -11.7400 -10.7966 -10.7966 -10.7759 -10.7759
-10.5495 -10.5495 -10.5494 -10.5494 -9.6175 -9.6175 -9.6132 -9.6132
-1.1161 -1.1161 -1.1157 -1.1157 1.6246 1.6246 1.6267 1.6267
1.9359 1.9359 1.9383 1.9383 1.9838 1.9838 1.9838 1.9838
2.6644 2.6644 2.6652 2.6652 2.7249 2.7249 2.7249 2.7249
8.6409 8.6409 8.6415 8.6415 9.8924 9.8924 9.8936 9.8936
10.6959 10.6965
k = 0.0000 0.0000 0.2082 ( 5514 PWs) bands (ev):
-28.9753 -28.9753 -28.9753 -28.9753 -13.7922 -13.7922 -13.7922 -13.7922
-11.7496 -11.7496 -11.7496 -11.7496 -10.7861 -10.7861 -10.7861 -10.7861
-10.5498 -10.5498 -10.5498 -10.5498 -9.6153 -9.6153 -9.6153 -9.6153
-1.1162 -1.1162 -1.1162 -1.1162 1.6269 1.6269 1.6269 1.6269
1.9368 1.9368 1.9368 1.9368 1.9835 1.9835 1.9835 1.9835
2.6651 2.6651 2.6651 2.6651 2.7252 2.7252 2.7252 2.7252
8.6386 8.6386 8.6386 8.6386 9.8930 9.8930 9.8930 9.8930
10.6981 10.6984
k = 0.5000 0.2887 0.2082 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0093 -14.0093 -14.0093 -14.0093
-11.7283 -11.7283 -11.7283 -11.7283 -10.7548 -10.7548 -10.7548 -10.7548
-10.5828 -10.5828 -10.5828 -10.5828 -9.5380 -9.5380 -9.5380 -9.5380
-0.9902 -0.9902 -0.9902 -0.9902 1.2129 1.2129 1.2129 1.2129
1.6535 1.6535 1.6535 1.6535 1.9270 1.9270 1.9270 1.9270
2.6256 2.6256 2.6256 2.6256 2.8224 2.8224 2.8224 2.8224
9.3165 9.3165 9.3165 9.3165 10.4391 10.4391 10.4391 10.4391
11.1822 11.1822
k = 0.5000 0.2887 0.1952 ( 5418 PWs) bands (ev):
-28.9531 -28.9531 -28.9531 -28.9531 -14.0099 -14.0099 -14.0087 -14.0087
-11.7310 -11.7310 -11.7255 -11.7255 -10.7599 -10.7599 -10.7497 -10.7497
-10.5845 -10.5845 -10.5810 -10.5810 -9.5444 -9.5444 -9.5316 -9.5316
-1.0012 -1.0012 -0.9792 -0.9792 1.2079 1.2079 1.2184 1.2184
1.6351 1.6351 1.6711 1.6711 1.9181 1.9181 1.9362 1.9362
2.6155 2.6155 2.6360 2.6360 2.8172 2.8172 2.8274 2.8274
9.2677 9.2677 9.3673 9.3673 10.4130 10.4130 10.4648 10.4648
11.1772 11.1773
k = 0.5000 0.2887 0.1822 ( 5410 PWs) bands (ev):
-28.9531 -28.9531 -28.9530 -28.9530 -14.0105 -14.0105 -14.0081 -14.0081
-11.7337 -11.7337 -11.7228 -11.7228 -10.7651 -10.7651 -10.7448 -10.7448
-10.5860 -10.5860 -10.5791 -10.5791 -9.5508 -9.5508 -9.5254 -9.5254
-1.0118 -1.0118 -0.9681 -0.9681 1.2034 1.2034 1.2243 1.2243
1.6159 1.6159 1.6877 1.6877 1.9094 1.9094 1.9454 1.9454
2.6056 2.6056 2.6465 2.6465 2.8120 2.8120 2.8323 2.8323
9.2211 9.2211 9.4196 9.4196 10.3868 10.3868 10.4896 10.4896
11.1704 11.1704
k = 0.5000 0.2887 0.1692 ( 5422 PWs) bands (ev):
-28.9531 -28.9531 -28.9530 -28.9530 -14.0111 -14.0111 -14.0075 -14.0075
-11.7363 -11.7363 -11.7201 -11.7201 -10.7703 -10.7703 -10.7401 -10.7401
-10.5874 -10.5874 -10.5770 -10.5770 -9.5571 -9.5571 -9.5193 -9.5193
-1.0222 -1.0222 -0.9571 -0.9571 1.1996 1.1996 1.2306 1.2306
1.5963 1.5963 1.7031 1.7031 1.9010 1.9010 1.9546 1.9546
2.5963 2.5963 2.6569 2.6569 2.8068 2.8068 2.8370 2.8370
9.1769 9.1769 9.4731 9.4731 10.3609 10.3609 10.5131 10.5131
11.1618 11.1618
k = 0.5000 0.2887 0.1562 ( 5420 PWs) bands (ev):
-28.9531 -28.9531 -28.9530 -28.9530 -14.0117 -14.0117 -14.0069 -14.0069
-11.7388 -11.7388 -11.7174 -11.7174 -10.7753 -10.7753 -10.7356 -10.7356
-10.5887 -10.5887 -10.5749 -10.5749 -9.5634 -9.5634 -9.5135 -9.5135
-1.0322 -1.0322 -0.9464 -0.9464 1.1964 1.1964 1.2372 1.2372
1.5765 1.5765 1.7172 1.7172 1.8930 1.8930 1.9636 1.9636
2.5875 2.5875 2.6672 2.6672 2.8016 2.8016 2.8414 2.8414
9.1353 9.1353 9.5274 9.5274 10.3356 10.3356 10.5350 10.5350
11.1521 11.1521
k = 0.5000 0.2887 0.1431 ( 5414 PWs) bands (ev):
-28.9531 -28.9531 -28.9530 -28.9530 -14.0123 -14.0123 -14.0063 -14.0063
-11.7412 -11.7412 -11.7149 -11.7149 -10.7802 -10.7802 -10.7314 -10.7314
-10.5898 -10.5898 -10.5727 -10.5727 -9.5694 -9.5694 -9.5080 -9.5080
-1.0416 -1.0416 -0.9359 -0.9359 1.1938 1.1938 1.2439 1.2439
1.5567 1.5567 1.7298 1.7298 1.8856 1.8856 1.9725 1.9725
2.5794 2.5794 2.6772 2.6772 2.7965 2.7965 2.8456 2.8456
9.0965 9.0965 9.5821 9.5821 10.3113 10.3113 10.5550 10.5550
11.1414 11.1414
k = 0.5000 0.2887 0.1301 ( 5428 PWs) bands (ev):
-28.9531 -28.9531 -28.9530 -28.9530 -14.0128 -14.0128 -14.0058 -14.0058
-11.7435 -11.7435 -11.7125 -11.7125 -10.7849 -10.7849 -10.7275 -10.7275
-10.5908 -10.5908 -10.5705 -10.5705 -9.5752 -9.5752 -9.5027 -9.5027
-1.0505 -1.0505 -0.9258 -0.9258 1.1920 1.1920 1.2507 1.2507
1.5370 1.5370 1.7410 1.7410 1.8787 1.8787 1.9810 1.9810
2.5720 2.5720 2.6867 2.6867 2.7916 2.7916 2.8496 2.8496
9.0607 9.0607 9.6364 9.6364 10.2881 10.2881 10.5726 10.5726
11.1301 11.1301
k = 0.5000 0.2887 0.1171 ( 5422 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0133 -14.0133 -14.0053 -14.0053
-11.7456 -11.7456 -11.7102 -11.7102 -10.7894 -10.7894 -10.7239 -10.7239
-10.5917 -10.5917 -10.5683 -10.5683 -9.5806 -9.5806 -9.4979 -9.4979
-1.0588 -1.0588 -0.9162 -0.9162 1.1908 1.1908 1.2575 1.2575
1.5179 1.5179 1.7507 1.7507 1.8725 1.8725 1.9891 1.9891
2.5654 2.5654 2.6957 2.6957 2.7869 2.7869 2.8532 2.8532
9.0280 9.0280 9.6898 9.6898 10.2663 10.2663 10.5879 10.5879
11.1188 11.1188
k = 0.5000 0.2887 0.1041 ( 5424 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0137 -14.0137 -14.0048 -14.0048
-11.7476 -11.7476 -11.7080 -11.7080 -10.7935 -10.7935 -10.7207 -10.7207
-10.5924 -10.5924 -10.5662 -10.5662 -9.5857 -9.5857 -9.4934 -9.4934
-1.0663 -1.0663 -0.9074 -0.9074 1.1902 1.1902 1.2641 1.2641
1.4994 1.4994 1.7589 1.7589 1.8670 1.8670 1.9967 1.9967
2.5595 2.5595 2.7040 2.7040 2.7824 2.7824 2.8564 2.8564
8.9984 8.9984 9.7416 9.7416 10.2462 10.2462 10.6006 10.6006
11.1075 11.1075
k = 0.5000 0.2887 0.0911 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0142 -14.0142 -14.0044 -14.0044
-11.7493 -11.7493 -11.7061 -11.7061 -10.7973 -10.7973 -10.7179 -10.7179
-10.5931 -10.5931 -10.5642 -10.5642 -9.5904 -9.5904 -9.4894 -9.4894
-1.0731 -1.0731 -0.8992 -0.8992 1.1902 1.1902 1.2705 1.2705
1.4819 1.4819 1.7656 1.7656 1.8622 1.8622 2.0037 2.0037
2.5545 2.5545 2.7115 2.7115 2.7784 2.7784 2.8594 2.8594
8.9721 8.9721 9.7909 9.7909 10.2279 10.2279 10.6109 10.6109
11.0966 11.0966
k = 0.5000 0.2887 0.0781 ( 5422 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0145 -14.0145 -14.0040 -14.0040
-11.7509 -11.7509 -11.7044 -11.7044 -10.8006 -10.8006 -10.7155 -10.7155
-10.5936 -10.5936 -10.5623 -10.5623 -9.5945 -9.5945 -9.4859 -9.4859
-1.0791 -1.0791 -0.8919 -0.8919 1.1907 1.1907 1.2765 1.2765
1.4657 1.4657 1.7709 1.7709 1.8581 1.8581 2.0100 2.0100
2.5502 2.5502 2.7182 2.7182 2.7748 2.7748 2.8620 2.8620
8.9492 8.9492 9.8369 9.8369 10.2114 10.2114 10.6190 10.6190
11.0865 11.0865
k = 0.5000 0.2887 0.0651 ( 5422 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0148 -14.0148 -14.0037 -14.0037
-11.7522 -11.7522 -11.7029 -11.7029 -10.8035 -10.8035 -10.7134 -10.7134
-10.5941 -10.5941 -10.5606 -10.5606 -9.5981 -9.5981 -9.4828 -9.4828
-1.0842 -1.0842 -0.8856 -0.8856 1.1915 1.1915 1.2820 1.2820
1.4510 1.4510 1.7750 1.7750 1.8548 1.8548 2.0155 2.0155
2.5467 2.5467 2.7240 2.7240 2.7716 2.7716 2.8641 2.8641
8.9297 8.9297 9.8785 9.8785 10.1971 10.1971 10.6250 10.6250
11.0773 11.0773
k = 0.5000 0.2887 0.0521 ( 5418 PWs) bands (ev):
-28.9532 -28.9532 -28.9530 -28.9530 -14.0151 -14.0151 -14.0034 -14.0034
-11.7533 -11.7533 -11.7016 -11.7016 -10.8060 -10.8060 -10.7117 -10.7117
-10.5944 -10.5944 -10.5591 -10.5591 -9.6011 -9.6011 -9.4803 -9.4803
-1.0885 -1.0885 -0.8803 -0.8803 1.1926 1.1926 1.2869 1.2869
1.4381 1.4381 1.7780 1.7780 1.8522 1.8522 2.0201 2.0201
2.5439 2.5439 2.7287 2.7287 2.7690 2.7690 2.8660 2.8660
8.9137 8.9137 9.9147 9.9147 10.1849 10.1849 10.6293 10.6293
11.0692 11.0692
k = 0.5000 0.2887 0.0390 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0153 -14.0153 -14.0032 -14.0032
-11.7542 -11.7542 -11.7006 -11.7006 -10.8079 -10.8079 -10.7104 -10.7104
-10.5947 -10.5947 -10.5579 -10.5579 -9.6035 -9.6035 -9.4783 -9.4783
-1.0918 -1.0918 -0.8761 -0.8761 1.1936 1.1936 1.2910 1.2910
1.4276 1.4276 1.7801 1.7801 1.8503 1.8503 2.0237 2.0237
2.5418 2.5418 2.7324 2.7324 2.7670 2.7670 2.8674 2.8674
8.9012 8.9012 9.9445 9.9445 10.1749 10.1749 10.6322 10.6322
11.0627 11.0627
k = 0.5000 0.2887 0.0260 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0155 -14.0155 -14.0031 -14.0031
-11.7548 -11.7548 -11.6999 -11.6999 -10.8093 -10.8093 -10.7095 -10.7095
-10.5949 -10.5949 -10.5571 -10.5571 -9.6053 -9.6053 -9.4769 -9.4769
-1.0942 -1.0942 -0.8730 -0.8730 1.1946 1.1946 1.2942 1.2942
1.4196 1.4196 1.7815 1.7815 1.8490 1.8490 2.0264 2.0264
2.5403 2.5403 2.7351 2.7351 2.7656 2.7656 2.8684 2.8684
8.8923 8.8923 9.9669 9.9669 10.1675 10.1675 10.6341 10.6341
11.0578 11.0578
k = 0.5000 0.2887 0.0130 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0155 -14.0155 -14.0030 -14.0030
-11.7552 -11.7552 -11.6995 -11.6995 -10.8101 -10.8101 -10.7089 -10.7089
-10.5950 -10.5950 -10.5565 -10.5565 -9.6063 -9.6063 -9.4760 -9.4760
-1.0956 -1.0956 -0.8712 -0.8712 1.1952 1.1952 1.2962 1.2962
1.4147 1.4147 1.7823 1.7823 1.8483 1.8483 2.0280 2.0280
2.5395 2.5395 2.7366 2.7366 2.7647 2.7647 2.8690 2.8690
8.8869 8.8869 9.9808 9.9808 10.1629 10.1629 10.6351 10.6351
11.0547 11.0547
k = 0.5000 0.2887-0.0000 ( 5414 PWs) bands (ev):
-28.9532 -28.9532 -28.9529 -28.9529 -14.0156 -14.0156 -14.0030 -14.0030
-11.7553 -11.7553 -11.6993 -11.6993 -10.8104 -10.8104 -10.7087 -10.7087
-10.5950 -10.5950 -10.5564 -10.5564 -9.6066 -9.6066 -9.4758 -9.4758
-1.0961 -1.0961 -0.8706 -0.8706 1.1954 1.1954 1.2969 1.2969
1.4130 1.4130 1.7825 1.7825 1.8480 1.8480 2.0285 2.0285
2.5392 2.5392 2.7371 2.7371 2.7644 2.7644 2.8692 2.8692
8.8851 8.8851 9.9855 9.9855 10.1613 10.1613 10.6354 10.6354
11.0537 11.0537
k = 0.3333 0.5774-0.0000 ( 5418 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9474 -11.8816 -11.5690 -11.5690 -10.9153 -10.9153 -10.9112 -10.7420
-10.5527 -10.5527 -10.2919 -10.2919 -9.6589 -9.5440 -9.5385 -9.5385
-1.0298 -1.0298 -0.8440 -0.8440 1.2179 1.2826 1.2826 1.2930
1.6064 1.6248 1.6248 1.6296 1.6707 1.6707 1.8245 1.8245
2.6123 2.6123 2.6253 2.6267 2.7968 2.8306 2.8419 2.8419
9.5415 9.5442 9.5442 9.5619 10.2012 10.2012 11.0774 11.0823
11.0823 11.1168
k = 0.3333 0.5774 0.0130 ( 5418 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9473 -11.8818 -11.5690 -11.5690 -10.9153 -10.9153 -10.9108 -10.7424
-10.5527 -10.5527 -10.2919 -10.2919 -9.6586 -9.5443 -9.5385 -9.5385
-1.0294 -1.0294 -0.8445 -0.8445 1.2181 1.2828 1.2828 1.2928
1.6067 1.6251 1.6251 1.6296 1.6708 1.6708 1.8242 1.8242
2.6121 2.6121 2.6249 2.6261 2.7973 2.8308 2.8421 2.8421
9.5424 9.5450 9.5450 9.5628 10.2025 10.2025 11.0744 11.0835
11.0835 11.1136
k = 0.3333 0.5774 0.0260 ( 5415 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9469 -11.8824 -11.5690 -11.5690 -10.9153 -10.9153 -10.9095 -10.7436
-10.5526 -10.5526 -10.2919 -10.2919 -9.6577 -9.5450 -9.5385 -9.5385
-1.0281 -1.0281 -0.8459 -0.8459 1.2187 1.2832 1.2832 1.2922
1.6073 1.6260 1.6260 1.6298 1.6710 1.6710 1.8231 1.8231
2.6113 2.6113 2.6236 2.6244 2.7987 2.8315 2.8426 2.8426
9.5451 9.5475 9.5475 9.5653 10.2065 10.2065 11.0656 11.0854
11.0854 11.1053
k = 0.3333 0.5774 0.0390 ( 5409 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9462 -11.8832 -11.5690 -11.5690 -10.9153 -10.9153 -10.9075 -10.7457
-10.5526 -10.5526 -10.2919 -10.2919 -9.6562 -9.5463 -9.5386 -9.5386
-1.0261 -1.0261 -0.8483 -0.8483 1.2196 1.2839 1.2839 1.2912
1.6083 1.6274 1.6274 1.6302 1.6715 1.6715 1.8213 1.8213
2.6101 2.6101 2.6214 2.6218 2.8009 2.8325 2.8435 2.8435
9.5495 9.5516 9.5516 9.5694 10.2132 10.2132 11.0515 11.0780
11.0781 11.0955
k = 0.3333 0.5774 0.0521 ( 5418 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9452 -11.8845 -11.5690 -11.5690 -10.9153 -10.9153 -10.9047 -10.7485
-10.5525 -10.5525 -10.2919 -10.2919 -9.6542 -9.5481 -9.5387 -9.5387
-1.0233 -1.0233 -0.8516 -0.8516 1.2208 1.2849 1.2849 1.2899
1.6096 1.6292 1.6292 1.6306 1.6723 1.6723 1.8188 1.8188
2.6084 2.6084 2.6184 2.6186 2.8038 2.8338 2.8445 2.8445
9.5556 9.5572 9.5572 9.5749 10.2226 10.2226 11.0329 11.0567
11.0567 11.0767
k = 0.3333 0.5774 0.0651 ( 5412 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9877 -13.9877
-11.9440 -11.8860 -11.5691 -11.5691 -10.9153 -10.9153 -10.9012 -10.7521
-10.5523 -10.5523 -10.2919 -10.2919 -9.6516 -9.5503 -9.5388 -9.5388
-1.0198 -1.0198 -0.8557 -0.8557 1.2224 1.2861 1.2861 1.2883
1.6113 1.6311 1.6312 1.6312 1.6735 1.6735 1.8157 1.8157
2.6064 2.6064 2.6143 2.6151 2.8073 2.8353 2.8459 2.8459
9.5630 9.5640 9.5640 9.5818 10.2346 10.2346 11.0107 11.0277
11.0277 11.0525
k = 0.3333 0.5774 0.0781 ( 5415 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0606 -14.0606 -13.9878 -13.9878
-11.9425 -11.8879 -11.5691 -11.5691 -10.9154 -10.9154 -10.8969 -10.7565
-10.5522 -10.5522 -10.2919 -10.2919 -9.6484 -9.5530 -9.5389 -9.5389
-1.0155 -1.0155 -0.8607 -0.8607 1.2243 1.2863 1.2874 1.2874
1.6132 1.6317 1.6334 1.6334 1.6752 1.6752 1.8119 1.8119
2.6041 2.6041 2.6099 2.6112 2.8111 2.8370 2.8473 2.8473
9.5718 9.5720 9.5720 9.5898 10.2494 10.2494 10.9861 10.9932
10.9932 11.0255
k = 0.3333 0.5774 0.0911 ( 5424 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0605 -14.0605 -13.9878 -13.9878
-11.9407 -11.8900 -11.5691 -11.5691 -10.9154 -10.9154 -10.8920 -10.7615
-10.5520 -10.5520 -10.2919 -10.2919 -9.6448 -9.5562 -9.5390 -9.5390
-1.0105 -1.0105 -0.8664 -0.8664 1.2266 1.2840 1.2889 1.2889
1.6153 1.6323 1.6354 1.6354 1.6777 1.6777 1.8076 1.8076
2.6017 2.6017 2.6052 2.6071 2.8151 2.8387 2.8489 2.8489
9.5809 9.5809 9.5815 9.5986 10.2670 10.2670 10.9542 10.9542
10.9601 10.9973
k = 0.3333 0.5774 0.1041 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0605 -14.0605 -13.9878 -13.9878
-11.9388 -11.8924 -11.5691 -11.5691 -10.9154 -10.9154 -10.8865 -10.7672
-10.5519 -10.5519 -10.2919 -10.2919 -9.6408 -9.5597 -9.5391 -9.5391
-1.0049 -1.0049 -0.8728 -0.8728 1.2290 1.2814 1.2904 1.2904
1.6175 1.6329 1.6371 1.6371 1.6810 1.6810 1.8027 1.8027
2.5992 2.5992 2.6006 2.6028 2.8192 2.8403 2.8505 2.8505
9.5903 9.5904 9.5919 9.6079 10.2873 10.2873 10.9119 10.9119
10.9337 10.9687
k = 0.3333 0.5774 0.1171 ( 5421 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0605 -14.0605 -13.9879 -13.9879
-11.9366 -11.8950 -11.5692 -11.5692 -10.9154 -10.9154 -10.8804 -10.7734
-10.5517 -10.5517 -10.2919 -10.2919 -9.6364 -9.5637 -9.5392 -9.5392
-0.9986 -0.9986 -0.8798 -0.8798 1.2318 1.2787 1.2919 1.2919
1.6198 1.6334 1.6384 1.6384 1.6851 1.6851 1.7974 1.7974
2.5961 2.5968 2.5968 2.5985 2.8232 2.8418 2.8520 2.8520
9.6000 9.6000 9.6027 9.6174 10.3103 10.3103 10.8671 10.8671
10.9079 10.9390
k = 0.3333 0.5774 0.1301 ( 5433 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0605 -14.0605 -13.9879 -13.9879
-11.9342 -11.8977 -11.5692 -11.5692 -10.9155 -10.9155 -10.8737 -10.7801
-10.5516 -10.5516 -10.2919 -10.2919 -9.6316 -9.5680 -9.5393 -9.5393
-0.9919 -0.9919 -0.8874 -0.8874 1.2347 1.2757 1.2934 1.2934
1.6221 1.6338 1.6394 1.6394 1.6899 1.6899 1.7916 1.7916
2.5920 2.5944 2.5944 2.5944 2.8270 2.8430 2.8535 2.8535
9.6095 9.6095 9.6135 9.6266 10.3361 10.3361 10.8207 10.8207
10.8837 10.9107
k = 0.3333 0.5774 0.1431 ( 5427 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9879 -13.9879
-11.9316 -11.9007 -11.5692 -11.5692 -10.9155 -10.9155 -10.8667 -10.7872
-10.5514 -10.5514 -10.2919 -10.2919 -9.6266 -9.5726 -9.5394 -9.5394
-0.9846 -0.9846 -0.8953 -0.8953 1.2378 1.2725 1.2948 1.2948
1.6243 1.6342 1.6400 1.6400 1.6954 1.6954 1.7857 1.7857
2.5883 2.5906 2.5923 2.5923 2.8306 2.8440 2.8548 2.8548
9.6185 9.6185 9.6238 9.6352 10.3647 10.3647 10.7735 10.7735
10.8619 10.8847
k = 0.3333 0.5774 0.1562 ( 5433 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9879 -13.9879
-11.9288 -11.9038 -11.5693 -11.5693 -10.9155 -10.9155 -10.8592 -10.7948
-10.5513 -10.5513 -10.2920 -10.2920 -9.6213 -9.5775 -9.5395 -9.5395
-0.9771 -0.9771 -0.9034 -0.9034 1.2411 1.2692 1.2960 1.2960
1.6264 1.6343 1.6404 1.6404 1.7011 1.7011 1.7796 1.7796
2.5853 2.5873 2.5904 2.5904 2.8339 2.8446 2.8560 2.8560
9.6266 9.6266 9.6333 9.6427 10.3959 10.3959 10.7262 10.7262
10.8433 10.8617
k = 0.3333 0.5774 0.1692 ( 5433 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9879 -13.9879
-11.9259 -11.9069 -11.5693 -11.5693 -10.9155 -10.9155 -10.8515 -10.8026
-10.5512 -10.5512 -10.2920 -10.2920 -9.6159 -9.5827 -9.5395 -9.5395
-0.9693 -0.9693 -0.9117 -0.9117 1.2445 1.2658 1.2970 1.2970
1.6282 1.6342 1.6405 1.6405 1.7068 1.7068 1.7738 1.7738
2.5828 2.5845 2.5889 2.5889 2.8368 2.8448 2.8569 2.8569
9.6334 9.6334 9.6415 9.6488 10.4297 10.4297 10.6793 10.6793
10.8286 10.8425
k = 0.3333 0.5774 0.1822 ( 5439 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9880 -13.9880
-11.9229 -11.9101 -11.5693 -11.5693 -10.9155 -10.9155 -10.8435 -10.8106
-10.5511 -10.5511 -10.2920 -10.2920 -9.6103 -9.5880 -9.5396 -9.5396
-0.9616 -0.9616 -0.9198 -0.9198 1.2480 1.2623 1.2978 1.2978
1.6299 1.6339 1.6406 1.6406 1.7118 1.7118 1.7687 1.7687
2.5812 2.5823 2.5878 2.5878 2.8392 2.8446 2.8576 2.8576
9.6385 9.6385 9.6480 9.6530 10.4660 10.4660 10.6334 10.6334
10.8184 10.8277
k = 0.3333 0.5774 0.1952 ( 5439 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9880 -13.9880
-11.9198 -11.9133 -11.5693 -11.5693 -10.9156 -10.9156 -10.8353 -10.8188
-10.5511 -10.5511 -10.2920 -10.2920 -9.6047 -9.5935 -9.5396 -9.5396
-0.9549 -0.9549 -0.9267 -0.9267 1.2515 1.2587 1.2982 1.2982
1.6313 1.6333 1.6406 1.6406 1.7155 1.7155 1.7650 1.7650
2.5803 2.5809 2.5871 2.5871 2.8413 2.8440 2.8580 2.8580
9.6417 9.6417 9.6526 9.6551 10.5047 10.5047 10.5889 10.5889
10.8130 10.8177
k = 0.3333 0.5774 0.2082 ( 5430 PWs) bands (ev):
-28.9503 -28.9503 -28.9503 -28.9503 -14.0604 -14.0604 -13.9880 -13.9880
-11.9166 -11.9166 -11.5693 -11.5693 -10.9156 -10.9156 -10.8271 -10.8271
-10.5511 -10.5511 -10.2920 -10.2920 -9.5991 -9.5991 -9.5396 -9.5396
-0.9516 -0.9516 -0.9300 -0.9300 1.2551 1.2551 1.2984 1.2984
1.6325 1.6325 1.6406 1.6406 1.7169 1.7169 1.7637 1.7637
2.5802 2.5802 2.5869 2.5869 2.8428 2.8428 2.8582 2.8582
9.6427 9.6427 9.6550 9.6550 10.5421 10.5421 10.5495 10.5495
10.8127 10.8127
Writing output data file SrHClO.save
init_run : 1.17s CPU 0.73s WALL ( 1 calls)
electrons : 428.56s CPU 333.19s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.01s CPU 0.01s WALL ( 1 calls)
potinit : 0.11s CPU 0.08s WALL ( 1 calls)
Called by electrons:
c_bands : 428.56s CPU 333.18s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.01s WALL ( 1 calls)
newd : 0.32s CPU 0.19s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.52s CPU 0.56s WALL ( 299 calls)
cegterg : 385.28s CPU 307.03s WALL ( 792 calls)
Called by sum_band:
Called by *egterg:
h_psi : 242.42s CPU 168.18s WALL ( 13299 calls)
s_psi : 14.48s CPU 10.75s WALL ( 13299 calls)
g_psi : 0.54s CPU 0.42s WALL ( 12208 calls)
cdiaghg : 118.96s CPU 109.22s WALL ( 12507 calls)
cegterg:over : 15.47s CPU 12.98s WALL ( 12208 calls)
cegterg:upda : 15.20s CPU 13.53s WALL ( 12208 calls)
cegterg:last : 6.39s CPU 5.83s WALL ( 1688 calls)
cdiaghg:chol : 6.32s CPU 6.23s WALL ( 12507 calls)
cdiaghg:inve : 4.30s CPU 4.07s WALL ( 12507 calls)
cdiaghg:para : 7.00s CPU 6.66s WALL ( 25014 calls)
Called by h_psi:
h_psi:vloc : 209.62s CPU 142.98s WALL ( 13299 calls)
h_psi:vnl : 32.23s CPU 24.73s WALL ( 13299 calls)
add_vuspsi : 18.18s CPU 13.54s WALL ( 13299 calls)
General routines
calbec : 13.98s CPU 11.15s WALL ( 13299 calls)
fft : 0.04s CPU 0.03s WALL ( 19 calls)
ffts : 0.02s CPU 0.01s WALL ( 4 calls)
fftw : 199.51s CPU 135.09s WALL ( 1067896 calls)
interpolate : 0.02s CPU 0.01s WALL ( 4 calls)
davcio : 0.28s CPU 1.41s WALL ( 598 calls)
Parallel routines
fft_scatter : 69.75s CPU 52.99s WALL ( 1067919 calls)
PWSCF : 7m29.15s CPU 6m 7.27s WALL
This run was terminated on: 15:48:24 10Feb2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=