Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:41:53
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./SrxSnAsx2.save/
file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 78 57 16 1841 1145 178
Max 79 58 17 1842 1157 181
Sum 2831 2063 601 66297 41445 6467
bravais-lattice index = 14
lattice parameter (alat) = 17.4486 a.u.
unit-cell volume = 920.1641 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 48.0000 Ry
charge density cutoff = 263.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 17.448583 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.896349 celldm(5)= 0.896349 celldm(6)= 0.896349
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.896349 0.443349 0.000000 )
a(3) = ( 0.896349 0.209558 0.390696 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -2.021770 -1.209817 )
b(2) = ( 0.000000 2.255560 -1.209817 )
b(3) = ( 0.000000 0.000000 2.559533 )
PseudoPot. # 1 for As read from file:
/users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 91883ac77fc8b4c49e33555c42516b17
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1209 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 Sn read from file:
/users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82
Pseudo is Ultrasoft + core correction, Zval = 14.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1243 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for 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
atomic species valence mass pseudopotential
As 5.00 74.92160 As( 1.00)
Sn 14.00 118.71000 Sn( 1.00)
Sr 10.00 87.62000 Sr( 1.00)
2 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inversion
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_i (-1)
there are 4 classes and 2 irreducible representations
the character table:
E -E i -i
G_2+ 1.00 -1.00 1.00 -1.00
G_2- 1.00 -1.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
i 2
inversion
-i -2
inversion E
Cartesian axes
number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 2) = ( 0.0113636 -0.0229747 -0.0137479), wk = 0.0035461
k( 3) = ( 0.0227273 -0.0459493 -0.0274958), wk = 0.0035461
k( 4) = ( 0.0340909 -0.0689240 -0.0412438), wk = 0.0035461
k( 5) = ( 0.0454546 -0.0918986 -0.0549917), wk = 0.0035461
k( 6) = ( 0.0568182 -0.1148733 -0.0687396), wk = 0.0035461
k( 7) = ( 0.0681818 -0.1378479 -0.0824875), wk = 0.0035461
k( 8) = ( 0.0795455 -0.1608226 -0.0962354), wk = 0.0035461
k( 9) = ( 0.0909091 -0.1837972 -0.1099834), wk = 0.0035461
k( 10) = ( 0.1022727 -0.2067719 -0.1237313), wk = 0.0035461
k( 11) = ( 0.1136364 -0.2297465 -0.1374792), wk = 0.0035461
k( 12) = ( 0.1250000 -0.2527212 -0.1512271), wk = 0.0035461
k( 13) = ( 0.1363636 -0.2756959 -0.1649750), wk = 0.0035461
k( 14) = ( 0.1477273 -0.2986705 -0.1787230), wk = 0.0035461
k( 15) = ( 0.1590909 -0.3216452 -0.1924709), wk = 0.0035461
k( 16) = ( 0.1704546 -0.3446198 -0.2062188), wk = 0.0035461
k( 17) = ( 0.1818182 -0.3675945 -0.2199667), wk = 0.0035461
k( 18) = ( 0.1931818 -0.3905691 -0.2337146), wk = 0.0035461
k( 19) = ( 0.2045454 -0.4135438 -0.2474626), wk = 0.0035461
k( 20) = ( 0.2159091 -0.4365185 -0.2612105), wk = 0.0035461
k( 21) = ( 0.2272727 -0.4594931 -0.2749584), wk = 0.0035461
k( 22) = ( 0.2386364 -0.4824678 -0.2887063), wk = 0.0035461
k( 23) = ( 0.2500000 -0.5054424 -0.3024542), wk = 0.0035461
k( 24) = ( 0.2613636 -0.5284171 -0.3162022), wk = 0.0035461
k( 25) = ( 0.2727273 -0.5513917 -0.3299501), wk = 0.0035461
k( 26) = ( 0.2840909 -0.5743664 -0.3436980), wk = 0.0035461
k( 27) = ( 0.2954545 -0.5973411 -0.3574459), wk = 0.0035461
k( 28) = ( 0.3068182 -0.6203157 -0.3711938), wk = 0.0035461
k( 29) = ( 0.3181818 -0.6432904 -0.3849418), wk = 0.0035461
k( 30) = ( 0.3295455 -0.6662650 -0.3986897), wk = 0.0035461
k( 31) = ( 0.3409091 -0.6892397 -0.4124376), wk = 0.0035461
k( 32) = ( 0.3522727 -0.7122143 -0.4261855), wk = 0.0035461
k( 33) = ( 0.3636364 -0.7351890 -0.4399334), wk = 0.0035461
k( 34) = ( 0.3750000 -0.7581636 -0.4536814), wk = 0.0035461
k( 35) = ( 0.3863636 -0.7811383 -0.4674293), wk = 0.0035461
k( 36) = ( 0.3977273 -0.8041129 -0.4811772), wk = 0.0035461
k( 37) = ( 0.4090909 -0.8270876 -0.4949251), wk = 0.0035461
k( 38) = ( 0.4204545 -0.8500623 -0.5086730), wk = 0.0035461
k( 39) = ( 0.4318182 -0.8730369 -0.5224210), wk = 0.0035461
k( 40) = ( 0.4431818 -0.8960116 -0.5361689), wk = 0.0035461
k( 41) = ( 0.4545455 -0.9189862 -0.5499168), wk = 0.0035461
k( 42) = ( 0.4659091 -0.9419609 -0.5636647), wk = 0.0035461
k( 43) = ( 0.4772727 -0.9649355 -0.5774126), wk = 0.0035461
k( 44) = ( 0.4886364 -0.9879102 -0.5911606), wk = 0.0035461
k( 45) = ( 0.5000000 -1.0108848 -0.6049085), wk = 0.0035461
k( 46) = ( 0.5000000 -1.0108848 -0.6049085), wk = 0.0035461
k( 47) = ( 0.5000000 -0.9959281 -0.6299032), wk = 0.0035461
k( 48) = ( 0.5000000 -0.9809714 -0.6548980), wk = 0.0035461
k( 49) = ( 0.5000000 -0.9660146 -0.6798927), wk = 0.0035461
k( 50) = ( 0.5000000 -0.9510579 -0.7048874), wk = 0.0035461
k( 51) = ( 0.5000000 -0.9361012 -0.7298822), wk = 0.0035461
k( 52) = ( 0.5000000 -0.9211445 -0.7548769), wk = 0.0035461
k( 53) = ( 0.5000000 -0.9061877 -0.7798717), wk = 0.0035461
k( 54) = ( 0.5000000 -0.8912310 -0.8048664), wk = 0.0035461
k( 55) = ( 0.5000000 -0.8762743 -0.8298612), wk = 0.0035461
k( 56) = ( 0.5000000 -0.8613175 -0.8548559), wk = 0.0035461
k( 57) = ( 0.5000000 -0.8463608 -0.8798506), wk = 0.0035461
k( 58) = ( 0.5000000 -0.8314041 -0.9048454), wk = 0.0035461
k( 59) = ( 0.5000000 -0.8164474 -0.9298401), wk = 0.0035461
k( 60) = ( 0.5000000 -0.8014906 -0.9548349), wk = 0.0035461
k( 61) = ( 0.5000000 -0.7865339 -0.9798296), wk = 0.0035461
k( 62) = ( 0.5000000 -0.7715772 -1.0048244), wk = 0.0035461
k( 63) = ( 0.5000000 -0.7566204 -1.0298191), wk = 0.0035461
k( 64) = ( 0.5000000 -0.7416637 -1.0548139), wk = 0.0035461
k( 65) = ( 0.5000000 -0.7267070 -1.0798086), wk = 0.0035461
k( 66) = ( 0.5000000 -0.7117502 -1.1048033), wk = 0.0035461
k( 67) = ( 0.5000000 -0.6967935 -1.1297981), wk = 0.0035461
k( 68) = ( 0.5000000 -0.6818368 -1.1547928), wk = 0.0035461
k( 69) = ( 0.5000000 -0.6668800 -1.1797876), wk = 0.0035461
k( 70) = ( 0.5000000 -0.6519233 -1.2047823), wk = 0.0035461
k( 71) = ( 0.5000000 -0.6369666 -1.2297771), wk = 0.0035461
k( 72) = ( 0.5000000 -0.6220099 -1.2547718), wk = 0.0035461
k( 73) = ( 0.5000000 -0.6070531 -1.2797665), wk = 0.0035461
k( 74) = ( 0.8209617 -0.5320153 -1.1398674), wk = 0.0035461
k( 75) = ( 0.8142750 -0.5184963 -1.1146629), wk = 0.0035461
k( 76) = ( 0.8075883 -0.5049773 -1.0894583), wk = 0.0035461
k( 77) = ( 0.8009016 -0.4914583 -1.0642538), wk = 0.0035461
k( 78) = ( 0.7942149 -0.4779394 -1.0390493), wk = 0.0035461
k( 79) = ( 0.7875282 -0.4644204 -1.0138448), wk = 0.0035461
k( 80) = ( 0.7808415 -0.4509014 -0.9886403), wk = 0.0035461
k( 81) = ( 0.7741548 -0.4373825 -0.9634357), wk = 0.0035461
k( 82) = ( 0.7674681 -0.4238635 -0.9382312), wk = 0.0035461
k( 83) = ( 0.7607814 -0.4103445 -0.9130267), wk = 0.0035461
k( 84) = ( 0.7540947 -0.3968256 -0.8878222), wk = 0.0035461
k( 85) = ( 0.7474080 -0.3833066 -0.8626177), wk = 0.0035461
k( 86) = ( 0.7407213 -0.3697876 -0.8374131), wk = 0.0035461
k( 87) = ( 0.7340346 -0.3562686 -0.8122086), wk = 0.0035461
k( 88) = ( 0.7273479 -0.3427497 -0.7870041), wk = 0.0035461
k( 89) = ( 0.7206612 -0.3292307 -0.7617996), wk = 0.0035461
k( 90) = ( 0.7139745 -0.3157117 -0.7365950), wk = 0.0035461
k( 91) = ( 0.7072878 -0.3021928 -0.7113905), wk = 0.0035461
k( 92) = ( 0.7006010 -0.2886738 -0.6861860), wk = 0.0035461
k( 93) = ( 0.6939144 -0.2751548 -0.6609815), wk = 0.0035461
k( 94) = ( 0.6872276 -0.2616358 -0.6357770), wk = 0.0035461
k( 95) = ( 0.6805410 -0.2481169 -0.6105724), wk = 0.0035461
k( 96) = ( 0.6738542 -0.2345979 -0.5853679), wk = 0.0035461
k( 97) = ( 0.6671676 -0.2210789 -0.5601634), wk = 0.0035461
k( 98) = ( 0.6604808 -0.2075599 -0.5349589), wk = 0.0035461
k( 99) = ( 0.6537941 -0.1940410 -0.5097544), wk = 0.0035461
k( 100) = ( 0.6471074 -0.1805220 -0.4845498), wk = 0.0035461
k( 101) = ( 0.6404207 -0.1670030 -0.4593453), wk = 0.0035461
k( 102) = ( 0.6337340 -0.1534841 -0.4341408), wk = 0.0035461
k( 103) = ( 0.6270473 -0.1399651 -0.4089363), wk = 0.0035461
k( 104) = ( 0.6203606 -0.1264461 -0.3837318), wk = 0.0035461
k( 105) = ( 0.6136739 -0.1129272 -0.3585272), wk = 0.0035461
k( 106) = ( 0.6069872 -0.0994082 -0.3333227), wk = 0.0035461
k( 107) = ( 0.6003005 -0.0858892 -0.3081182), wk = 0.0035461
k( 108) = ( 0.5936138 -0.0723703 -0.2829137), wk = 0.0035461
k( 109) = ( 0.5869271 -0.0588513 -0.2577091), wk = 0.0035461
k( 110) = ( 0.5802404 -0.0453323 -0.2325046), wk = 0.0035461
k( 111) = ( 0.5735537 -0.0318133 -0.2073001), wk = 0.0035461
k( 112) = ( 0.5668670 -0.0182944 -0.1820956), wk = 0.0035461
k( 113) = ( 0.5601803 -0.0047754 -0.1568911), wk = 0.0035461
k( 114) = ( 0.5534936 0.0087436 -0.1316865), wk = 0.0035461
k( 115) = ( 0.5468069 0.0222626 -0.1064820), wk = 0.0035461
k( 116) = ( 0.5401202 0.0357815 -0.0812775), wk = 0.0035461
k( 117) = ( 0.5334335 0.0493005 -0.0560730), wk = 0.0035461
k( 118) = ( 0.5267468 0.0628195 -0.0308685), wk = 0.0035461
k( 119) = ( 0.5200601 0.0763384 -0.0056640), wk = 0.0035461
k( 120) = ( 0.5133734 0.0898574 0.0195406), wk = 0.0035461
k( 121) = ( 0.5066867 0.1033764 0.0447451), wk = 0.0035461
k( 122) = ( 0.5000000 0.1168954 0.0699496), wk = 0.0035461
k( 123) = ( 0.5000000 0.1168954 0.0699496), wk = 0.0035461
k( 124) = ( 0.4722222 0.1104012 0.0660635), wk = 0.0035461
k( 125) = ( 0.4444444 0.1039070 0.0621774), wk = 0.0035461
k( 126) = ( 0.4166667 0.0974128 0.0582913), wk = 0.0035461
k( 127) = ( 0.3888889 0.0909186 0.0544052), wk = 0.0035461
k( 128) = ( 0.3611111 0.0844244 0.0505192), wk = 0.0035461
k( 129) = ( 0.3333333 0.0779302 0.0466331), wk = 0.0035461
k( 130) = ( 0.3055556 0.0714360 0.0427470), wk = 0.0035461
k( 131) = ( 0.2777778 0.0649419 0.0388609), wk = 0.0035461
k( 132) = ( 0.2500000 0.0584477 0.0349748), wk = 0.0035461
k( 133) = ( 0.2222222 0.0519535 0.0310887), wk = 0.0035461
k( 134) = ( 0.1944444 0.0454593 0.0272026), wk = 0.0035461
k( 135) = ( 0.1666667 0.0389651 0.0233165), wk = 0.0035461
k( 136) = ( 0.1388889 0.0324709 0.0194304), wk = 0.0035461
k( 137) = ( 0.1111111 0.0259767 0.0155444), wk = 0.0035461
k( 138) = ( 0.0833333 0.0194826 0.0116583), wk = 0.0035461
k( 139) = ( 0.0555556 0.0129884 0.0077722), wk = 0.0035461
k( 140) = ( 0.0277778 0.0064942 0.0038861), wk = 0.0035461
k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 143) = ( 0.0066572 -0.0134594 -0.0250935), wk = 0.0035461
k( 144) = ( 0.0133145 -0.0269188 -0.0501869), wk = 0.0035461
k( 145) = ( 0.0199717 -0.0403782 -0.0752804), wk = 0.0035461
k( 146) = ( 0.0266289 -0.0538376 -0.1003738), wk = 0.0035461
k( 147) = ( 0.0332862 -0.0672970 -0.1254673), wk = 0.0035461
k( 148) = ( 0.0399434 -0.0807564 -0.1505608), wk = 0.0035461
k( 149) = ( 0.0466007 -0.0942158 -0.1756542), wk = 0.0035461
k( 150) = ( 0.0532579 -0.1076752 -0.2007477), wk = 0.0035461
k( 151) = ( 0.0599152 -0.1211346 -0.2258412), wk = 0.0035461
k( 152) = ( 0.0665724 -0.1345940 -0.2509346), wk = 0.0035461
k( 153) = ( 0.0732296 -0.1480534 -0.2760281), wk = 0.0035461
k( 154) = ( 0.0798869 -0.1615128 -0.3011215), wk = 0.0035461
k( 155) = ( 0.0865441 -0.1749722 -0.3262150), wk = 0.0035461
k( 156) = ( 0.0932013 -0.1884316 -0.3513085), wk = 0.0035461
k( 157) = ( 0.0998586 -0.2018911 -0.3764019), wk = 0.0035461
k( 158) = ( 0.1065158 -0.2153504 -0.4014954), wk = 0.0035461
k( 159) = ( 0.1131730 -0.2288098 -0.4265888), wk = 0.0035461
k( 160) = ( 0.1198303 -0.2422692 -0.4516823), wk = 0.0035461
k( 161) = ( 0.1264875 -0.2557287 -0.4767758), wk = 0.0035461
k( 162) = ( 0.1331448 -0.2691881 -0.5018692), wk = 0.0035461
k( 163) = ( 0.1398020 -0.2826475 -0.5269627), wk = 0.0035461
k( 164) = ( 0.1464592 -0.2961069 -0.5520561), wk = 0.0035461
k( 165) = ( 0.1531165 -0.3095663 -0.5771496), wk = 0.0035461
k( 166) = ( 0.1597737 -0.3230257 -0.6022431), wk = 0.0035461
k( 167) = ( 0.1664310 -0.3364851 -0.6273366), wk = 0.0035461
k( 168) = ( 0.1730882 -0.3499445 -0.6524300), wk = 0.0035461
k( 169) = ( 0.1797454 -0.3634039 -0.6775235), wk = 0.0035461
k( 170) = ( 0.1864027 -0.3768633 -0.7026169), wk = 0.0035461
k( 171) = ( 0.1930599 -0.3903227 -0.7277104), wk = 0.0035461
k( 172) = ( 0.1997172 -0.4037821 -0.7528039), wk = 0.0035461
k( 173) = ( 0.2063744 -0.4172415 -0.7778973), wk = 0.0035461
k( 174) = ( 0.2130316 -0.4307009 -0.8029908), wk = 0.0035461
k( 175) = ( 0.2196889 -0.4441603 -0.8280843), wk = 0.0035461
k( 176) = ( 0.2263461 -0.4576197 -0.8531777), wk = 0.0035461
k( 177) = ( 0.2330033 -0.4710791 -0.8782712), wk = 0.0035461
k( 178) = ( 0.2396606 -0.4845385 -0.9033646), wk = 0.0035461
k( 179) = ( 0.2463178 -0.4979979 -0.9284581), wk = 0.0035461
k( 180) = ( 0.2529751 -0.5114573 -0.9535516), wk = 0.0035461
k( 181) = ( 0.2596323 -0.5249167 -0.9786450), wk = 0.0035461
k( 182) = ( 0.2662895 -0.5383761 -1.0037385), wk = 0.0035461
k( 183) = ( 0.2729468 -0.5518355 -1.0288319), wk = 0.0035461
k( 184) = ( 0.2796040 -0.5652949 -1.0539254), wk = 0.0035461
k( 185) = ( 0.2862613 -0.5787543 -1.0790189), wk = 0.0035461
k( 186) = ( 0.2929185 -0.5922137 -1.1041123), wk = 0.0035461
k( 187) = ( 0.2995757 -0.6056731 -1.1292058), wk = 0.0035461
k( 188) = ( 0.3062330 -0.6191325 -1.1542992), wk = 0.0035461
k( 189) = ( 0.3128902 -0.6325919 -1.1793927), wk = 0.0035461
k( 190) = ( 0.3195474 -0.6460513 -1.2044862), wk = 0.0035461
k( 191) = ( 0.3262047 -0.6595107 -1.2295796), wk = 0.0035461
k( 192) = ( 0.3328619 -0.6729701 -1.2546731), wk = 0.0035461
k( 193) = ( 0.3395192 -0.6864295 -1.2797666), wk = 0.0035461
k( 194) = ( 0.6604808 -0.5695342 -1.2098170), wk = 0.0035461
k( 195) = ( 0.6537941 -0.5409330 -1.2098170), wk = 0.0035461
k( 196) = ( 0.6471074 -0.5123317 -1.2098170), wk = 0.0035461
k( 197) = ( 0.6404207 -0.4837305 -1.2098170), wk = 0.0035461
k( 198) = ( 0.6337340 -0.4551293 -1.2098170), wk = 0.0035461
k( 199) = ( 0.6270473 -0.4265280 -1.2098170), wk = 0.0035461
k( 200) = ( 0.6203606 -0.3979268 -1.2098170), wk = 0.0035461
k( 201) = ( 0.6136739 -0.3693256 -1.2098170), wk = 0.0035461
k( 202) = ( 0.6069872 -0.3407243 -1.2098170), wk = 0.0035461
k( 203) = ( 0.6003005 -0.3121231 -1.2098170), wk = 0.0035461
k( 204) = ( 0.5936138 -0.2835219 -1.2098170), wk = 0.0035461
k( 205) = ( 0.5869271 -0.2549206 -1.2098170), wk = 0.0035461
k( 206) = ( 0.5802404 -0.2263194 -1.2098170), wk = 0.0035461
k( 207) = ( 0.5735537 -0.1977182 -1.2098170), wk = 0.0035461
k( 208) = ( 0.5668670 -0.1691170 -1.2098170), wk = 0.0035461
k( 209) = ( 0.5601803 -0.1405157 -1.2098170), wk = 0.0035461
k( 210) = ( 0.5534936 -0.1119145 -1.2098170), wk = 0.0035461
k( 211) = ( 0.5468069 -0.0833133 -1.2098170), wk = 0.0035461
k( 212) = ( 0.5401202 -0.0547120 -1.2098170), wk = 0.0035461
k( 213) = ( 0.5334335 -0.0261108 -1.2098170), wk = 0.0035461
k( 214) = ( 0.5267468 0.0024904 -1.2098170), wk = 0.0035461
k( 215) = ( 0.5200601 0.0310916 -1.2098170), wk = 0.0035461
k( 216) = ( 0.5133734 0.0596929 -1.2098170), wk = 0.0035461
k( 217) = ( 0.5066867 0.0882941 -1.2098170), wk = 0.0035461
k( 218) = ( 0.5000000 0.1168954 -1.2098170), wk = 0.0035461
k( 219) = ( 0.5000000 0.1168954 -1.2098170), wk = 0.0035461
k( 220) = ( 0.5229258 0.1222552 -1.1998242), wk = 0.0035461
k( 221) = ( 0.5458517 0.1276150 -1.1898314), wk = 0.0035461
k( 222) = ( 0.5687775 0.1329749 -1.1798385), wk = 0.0035461
k( 223) = ( 0.5917033 0.1383347 -1.1698458), wk = 0.0035461
k( 224) = ( 0.6146292 0.1436946 -1.1598529), wk = 0.0035461
k( 225) = ( 0.6375550 0.1490544 -1.1498602), wk = 0.0035461
k( 226) = ( 0.6604808 0.1544143 -1.1398674), wk = 0.0035461
k( 227) = ( 0.6604808 0.1544143 -1.1398674), wk = 0.0035461
k( 228) = ( 0.6566599 0.1535210 -1.1110622), wk = 0.0035461
k( 229) = ( 0.6528389 0.1526277 -1.0822570), wk = 0.0035461
k( 230) = ( 0.6490179 0.1517344 -1.0534519), wk = 0.0035461
k( 231) = ( 0.6451969 0.1508410 -1.0246467), wk = 0.0035461
k( 232) = ( 0.6413760 0.1499477 -0.9958415), wk = 0.0035461
k( 233) = ( 0.6375550 0.1490544 -0.9670364), wk = 0.0035461
k( 234) = ( 0.6337340 0.1481611 -0.9382312), wk = 0.0035461
k( 235) = ( 0.6299131 0.1472678 -0.9094260), wk = 0.0035461
k( 236) = ( 0.6260921 0.1463745 -0.8806209), wk = 0.0035461
k( 237) = ( 0.6222711 0.1454812 -0.8518157), wk = 0.0035461
k( 238) = ( 0.6184502 0.1445879 -0.8230105), wk = 0.0035461
k( 239) = ( 0.6146292 0.1436946 -0.7942054), wk = 0.0035461
k( 240) = ( 0.6108082 0.1428013 -0.7654002), wk = 0.0035461
k( 241) = ( 0.6069872 0.1419080 -0.7365950), wk = 0.0035461
k( 242) = ( 0.6031663 0.1410147 -0.7077899), wk = 0.0035461
k( 243) = ( 0.5993453 0.1401214 -0.6789847), wk = 0.0035461
k( 244) = ( 0.5955243 0.1392280 -0.6501795), wk = 0.0035461
k( 245) = ( 0.5917033 0.1383347 -0.6213744), wk = 0.0035461
k( 246) = ( 0.5878824 0.1374414 -0.5925692), wk = 0.0035461
k( 247) = ( 0.5840614 0.1365481 -0.5637640), wk = 0.0035461
k( 248) = ( 0.5802404 0.1356548 -0.5349589), wk = 0.0035461
k( 249) = ( 0.5764195 0.1347615 -0.5061537), wk = 0.0035461
k( 250) = ( 0.5725985 0.1338682 -0.4773485), wk = 0.0035461
k( 251) = ( 0.5687775 0.1329749 -0.4485434), wk = 0.0035461
k( 252) = ( 0.5649565 0.1320816 -0.4197382), wk = 0.0035461
k( 253) = ( 0.5611356 0.1311883 -0.3909331), wk = 0.0035461
k( 254) = ( 0.5573146 0.1302950 -0.3621279), wk = 0.0035461
k( 255) = ( 0.5534936 0.1294017 -0.3333227), wk = 0.0035461
k( 256) = ( 0.5496726 0.1285084 -0.3045175), wk = 0.0035461
k( 257) = ( 0.5458517 0.1276150 -0.2757124), wk = 0.0035461
k( 258) = ( 0.5420307 0.1267217 -0.2469072), wk = 0.0035461
k( 259) = ( 0.5382097 0.1258284 -0.2181020), wk = 0.0035461
k( 260) = ( 0.5343887 0.1249351 -0.1892969), wk = 0.0035461
k( 261) = ( 0.5305678 0.1240418 -0.1604917), wk = 0.0035461
k( 262) = ( 0.5267468 0.1231485 -0.1316866), wk = 0.0035461
k( 263) = ( 0.5229258 0.1222552 -0.1028814), wk = 0.0035461
k( 264) = ( 0.5191049 0.1213619 -0.0740762), wk = 0.0035461
k( 265) = ( 0.5152839 0.1204686 -0.0452711), wk = 0.0035461
k( 266) = ( 0.5114629 0.1195753 -0.0164659), wk = 0.0035461
k( 267) = ( 0.5076419 0.1186820 0.0123393), wk = 0.0035461
k( 268) = ( 0.5038210 0.1177887 0.0411445), wk = 0.0035461
k( 269) = ( 0.5000000 0.1168954 0.0699496), wk = 0.0035461
k( 270) = ( 0.5000000 -1.0108848 -0.6049085), wk = 0.0035461
k( 271) = ( 0.5267468 -1.0011436 -0.5990794), wk = 0.0035461
k( 272) = ( 0.5534936 -0.9914023 -0.5932502), wk = 0.0035461
k( 273) = ( 0.5802404 -0.9816610 -0.5874211), wk = 0.0035461
k( 274) = ( 0.6069872 -0.9719197 -0.5815920), wk = 0.0035461
k( 275) = ( 0.6337340 -0.9621784 -0.5757628), wk = 0.0035461
k( 276) = ( 0.6604808 -0.9524372 -0.5699337), wk = 0.0035461
k( 277) = ( 0.6872276 -0.9426959 -0.5641045), wk = 0.0035461
k( 278) = ( 0.7139745 -0.9329546 -0.5582754), wk = 0.0035461
k( 279) = ( 0.7407213 -0.9232133 -0.5524463), wk = 0.0035461
k( 280) = ( 0.7674681 -0.9134720 -0.5466171), wk = 0.0035461
k( 281) = ( 0.7942149 -0.9037308 -0.5407880), wk = 0.0035461
k( 282) = ( 0.8209617 -0.8939895 -0.5349589), wk = 0.0035461
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 2) = ( 0.0113636 0.0000000 -0.0000000), wk = 0.0035461
k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0035461
k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0035461
k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0035461
k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0035461
k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0035461
k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0035461
k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0035461
k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0035461
k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0035461
k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0035461
k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0035461
k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0035461
k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0035461
k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0035461
k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0035461
k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0035461
k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0035461
k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0035461
k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0035461
k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0035461
k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0035461
k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0035461
k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0035461
k( 26) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0035461
k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0035461
k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0035461
k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0035461
k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0035461
k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0035461
k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0035461
k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0035461
k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0035461
k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0035461
k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0035461
k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0035461
k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0035461
k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0035461
k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0035461
k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0035461
k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0035461
k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0035461
k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0035461
k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461
k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461
k( 47) = ( 0.5000000 0.0066311 -0.0066311), wk = 0.0035461
k( 48) = ( 0.5000000 0.0132621 -0.0132621), wk = 0.0035461
k( 49) = ( 0.5000000 0.0198931 -0.0198932), wk = 0.0035461
k( 50) = ( 0.5000000 0.0265242 -0.0265242), wk = 0.0035461
k( 51) = ( 0.5000000 0.0331552 -0.0331552), wk = 0.0035461
k( 52) = ( 0.5000000 0.0397863 -0.0397863), wk = 0.0035461
k( 53) = ( 0.5000000 0.0464173 -0.0464173), wk = 0.0035461
k( 54) = ( 0.5000000 0.0530484 -0.0530484), wk = 0.0035461
k( 55) = ( 0.5000000 0.0596794 -0.0596794), wk = 0.0035461
k( 56) = ( 0.5000000 0.0663105 -0.0663105), wk = 0.0035461
k( 57) = ( 0.5000000 0.0729415 -0.0729415), wk = 0.0035461
k( 58) = ( 0.5000000 0.0795726 -0.0795726), wk = 0.0035461
k( 59) = ( 0.5000000 0.0862036 -0.0862036), wk = 0.0035461
k( 60) = ( 0.5000000 0.0928347 -0.0928347), wk = 0.0035461
k( 61) = ( 0.5000000 0.0994657 -0.0994657), wk = 0.0035461
k( 62) = ( 0.5000000 0.1060968 -0.1060968), wk = 0.0035461
k( 63) = ( 0.5000000 0.1127278 -0.1127278), wk = 0.0035461
k( 64) = ( 0.5000000 0.1193589 -0.1193589), wk = 0.0035461
k( 65) = ( 0.5000000 0.1259899 -0.1259899), wk = 0.0035461
k( 66) = ( 0.5000000 0.1326210 -0.1326210), wk = 0.0035461
k( 67) = ( 0.5000000 0.1392520 -0.1392520), wk = 0.0035461
k( 68) = ( 0.5000000 0.1458831 -0.1458831), wk = 0.0035461
k( 69) = ( 0.5000000 0.1525141 -0.1525141), wk = 0.0035461
k( 70) = ( 0.5000000 0.1591452 -0.1591452), wk = 0.0035461
k( 71) = ( 0.5000000 0.1657762 -0.1657762), wk = 0.0035461
k( 72) = ( 0.5000000 0.1724073 -0.1724073), wk = 0.0035461
k( 73) = ( 0.5000000 0.1790383 -0.1790383), wk = 0.0035461
k( 74) = ( 0.8209617 0.5000000 0.1790383), wk = 0.0035461
k( 75) = ( 0.8142750 0.5000000 0.1857250), wk = 0.0035461
k( 76) = ( 0.8075883 0.5000000 0.1924117), wk = 0.0035461
k( 77) = ( 0.8009016 0.5000000 0.1990984), wk = 0.0035461
k( 78) = ( 0.7942149 0.5000000 0.2057851), wk = 0.0035461
k( 79) = ( 0.7875282 0.5000000 0.2124718), wk = 0.0035461
k( 80) = ( 0.7808415 0.5000000 0.2191585), wk = 0.0035461
k( 81) = ( 0.7741548 0.5000000 0.2258452), wk = 0.0035461
k( 82) = ( 0.7674681 0.5000000 0.2325319), wk = 0.0035461
k( 83) = ( 0.7607814 0.5000000 0.2392186), wk = 0.0035461
k( 84) = ( 0.7540947 0.5000000 0.2459053), wk = 0.0035461
k( 85) = ( 0.7474080 0.5000000 0.2525920), wk = 0.0035461
k( 86) = ( 0.7407213 0.5000000 0.2592787), wk = 0.0035461
k( 87) = ( 0.7340346 0.5000000 0.2659654), wk = 0.0035461
k( 88) = ( 0.7273479 0.5000000 0.2726521), wk = 0.0035461
k( 89) = ( 0.7206612 0.5000000 0.2793388), wk = 0.0035461
k( 90) = ( 0.7139745 0.5000000 0.2860255), wk = 0.0035461
k( 91) = ( 0.7072878 0.5000000 0.2927122), wk = 0.0035461
k( 92) = ( 0.7006010 0.5000000 0.2993989), wk = 0.0035461
k( 93) = ( 0.6939144 0.5000000 0.3060856), wk = 0.0035461
k( 94) = ( 0.6872276 0.5000000 0.3127723), wk = 0.0035461
k( 95) = ( 0.6805410 0.5000000 0.3194591), wk = 0.0035461
k( 96) = ( 0.6738542 0.5000000 0.3261457), wk = 0.0035461
k( 97) = ( 0.6671676 0.5000000 0.3328325), wk = 0.0035461
k( 98) = ( 0.6604808 0.5000000 0.3395192), wk = 0.0035461
k( 99) = ( 0.6537941 0.5000000 0.3462059), wk = 0.0035461
k( 100) = ( 0.6471074 0.5000000 0.3528926), wk = 0.0035461
k( 101) = ( 0.6404207 0.5000000 0.3595793), wk = 0.0035461
k( 102) = ( 0.6337340 0.5000000 0.3662660), wk = 0.0035461
k( 103) = ( 0.6270473 0.5000000 0.3729527), wk = 0.0035461
k( 104) = ( 0.6203606 0.5000000 0.3796394), wk = 0.0035461
k( 105) = ( 0.6136739 0.5000000 0.3863261), wk = 0.0035461
k( 106) = ( 0.6069872 0.5000000 0.3930128), wk = 0.0035461
k( 107) = ( 0.6003005 0.5000000 0.3996995), wk = 0.0035461
k( 108) = ( 0.5936138 0.5000000 0.4063862), wk = 0.0035461
k( 109) = ( 0.5869271 0.5000000 0.4130729), wk = 0.0035461
k( 110) = ( 0.5802404 0.5000000 0.4197596), wk = 0.0035461
k( 111) = ( 0.5735537 0.5000000 0.4264463), wk = 0.0035461
k( 112) = ( 0.5668670 0.5000000 0.4331330), wk = 0.0035461
k( 113) = ( 0.5601803 0.5000000 0.4398197), wk = 0.0035461
k( 114) = ( 0.5534936 0.5000000 0.4465064), wk = 0.0035461
k( 115) = ( 0.5468069 0.5000000 0.4531931), wk = 0.0035461
k( 116) = ( 0.5401202 0.5000000 0.4598798), wk = 0.0035461
k( 117) = ( 0.5334335 0.5000000 0.4665665), wk = 0.0035461
k( 118) = ( 0.5267468 0.5000000 0.4732532), wk = 0.0035461
k( 119) = ( 0.5200601 0.5000000 0.4799399), wk = 0.0035461
k( 120) = ( 0.5133734 0.5000000 0.4866266), wk = 0.0035461
k( 121) = ( 0.5066867 0.5000000 0.4933133), wk = 0.0035461
k( 122) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461
k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461
k( 124) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0035461
k( 125) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0035461
k( 126) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0035461
k( 127) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0035461
k( 128) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0035461
k( 129) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035461
k( 130) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0035461
k( 131) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0035461
k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035461
k( 133) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0035461
k( 134) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0035461
k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035461
k( 136) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0035461
k( 137) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0035461
k( 138) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0035461
k( 139) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0035461
k( 140) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0035461
k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461
k( 143) = ( 0.0066572 0.0000000 -0.0066572), wk = 0.0035461
k( 144) = ( 0.0133145 0.0000000 -0.0133145), wk = 0.0035461
k( 145) = ( 0.0199717 -0.0000000 -0.0199717), wk = 0.0035461
k( 146) = ( 0.0266289 0.0000000 -0.0266289), wk = 0.0035461
k( 147) = ( 0.0332862 -0.0000000 -0.0332862), wk = 0.0035461
k( 148) = ( 0.0399434 -0.0000000 -0.0399434), wk = 0.0035461
k( 149) = ( 0.0466007 0.0000000 -0.0466007), wk = 0.0035461
k( 150) = ( 0.0532579 0.0000000 -0.0532579), wk = 0.0035461
k( 151) = ( 0.0599152 -0.0000000 -0.0599152), wk = 0.0035461
k( 152) = ( 0.0665724 -0.0000000 -0.0665724), wk = 0.0035461
k( 153) = ( 0.0732296 0.0000000 -0.0732296), wk = 0.0035461
k( 154) = ( 0.0798869 -0.0000000 -0.0798869), wk = 0.0035461
k( 155) = ( 0.0865441 -0.0000000 -0.0865441), wk = 0.0035461
k( 156) = ( 0.0932013 0.0000000 -0.0932013), wk = 0.0035461
k( 157) = ( 0.0998586 -0.0000000 -0.0998586), wk = 0.0035461
k( 158) = ( 0.1065158 -0.0000000 -0.1065158), wk = 0.0035461
k( 159) = ( 0.1131730 0.0000000 -0.1131730), wk = 0.0035461
k( 160) = ( 0.1198303 0.0000000 -0.1198303), wk = 0.0035461
k( 161) = ( 0.1264875 0.0000000 -0.1264875), wk = 0.0035461
k( 162) = ( 0.1331448 -0.0000000 -0.1331448), wk = 0.0035461
k( 163) = ( 0.1398020 -0.0000000 -0.1398020), wk = 0.0035461
k( 164) = ( 0.1464592 0.0000000 -0.1464592), wk = 0.0035461
k( 165) = ( 0.1531165 -0.0000000 -0.1531165), wk = 0.0035461
k( 166) = ( 0.1597737 -0.0000000 -0.1597737), wk = 0.0035461
k( 167) = ( 0.1664310 -0.0000000 -0.1664310), wk = 0.0035461
k( 168) = ( 0.1730882 -0.0000000 -0.1730882), wk = 0.0035461
k( 169) = ( 0.1797454 -0.0000000 -0.1797454), wk = 0.0035461
k( 170) = ( 0.1864027 -0.0000000 -0.1864027), wk = 0.0035461
k( 171) = ( 0.1930599 -0.0000000 -0.1930599), wk = 0.0035461
k( 172) = ( 0.1997172 0.0000000 -0.1997171), wk = 0.0035461
k( 173) = ( 0.2063744 0.0000000 -0.2063744), wk = 0.0035461
k( 174) = ( 0.2130316 -0.0000000 -0.2130316), wk = 0.0035461
k( 175) = ( 0.2196889 0.0000000 -0.2196889), wk = 0.0035461
k( 176) = ( 0.2263461 0.0000000 -0.2263461), wk = 0.0035461
k( 177) = ( 0.2330033 -0.0000000 -0.2330033), wk = 0.0035461
k( 178) = ( 0.2396606 0.0000000 -0.2396606), wk = 0.0035461
k( 179) = ( 0.2463178 0.0000000 -0.2463178), wk = 0.0035461
k( 180) = ( 0.2529751 0.0000000 -0.2529751), wk = 0.0035461
k( 181) = ( 0.2596323 -0.0000000 -0.2596323), wk = 0.0035461
k( 182) = ( 0.2662895 0.0000000 -0.2662895), wk = 0.0035461
k( 183) = ( 0.2729468 -0.0000000 -0.2729468), wk = 0.0035461
k( 184) = ( 0.2796040 -0.0000000 -0.2796040), wk = 0.0035461
k( 185) = ( 0.2862613 0.0000000 -0.2862613), wk = 0.0035461
k( 186) = ( 0.2929185 -0.0000000 -0.2929185), wk = 0.0035461
k( 187) = ( 0.2995757 0.0000000 -0.2995757), wk = 0.0035461
k( 188) = ( 0.3062330 -0.0000000 -0.3062330), wk = 0.0035461
k( 189) = ( 0.3128902 0.0000000 -0.3128902), wk = 0.0035461
k( 190) = ( 0.3195474 -0.0000000 -0.3195474), wk = 0.0035461
k( 191) = ( 0.3262047 0.0000000 -0.3262047), wk = 0.0035461
k( 192) = ( 0.3328619 -0.0000000 -0.3328619), wk = 0.0035461
k( 193) = ( 0.3395192 -0.0000000 -0.3395192), wk = 0.0035461
k( 194) = ( 0.6604808 0.3395192 -0.0000000), wk = 0.0035461
k( 195) = ( 0.6537941 0.3462059 -0.0000000), wk = 0.0035461
k( 196) = ( 0.6471074 0.3528926 -0.0000000), wk = 0.0035461
k( 197) = ( 0.6404207 0.3595793 -0.0000000), wk = 0.0035461
k( 198) = ( 0.6337340 0.3662660 -0.0000000), wk = 0.0035461
k( 199) = ( 0.6270473 0.3729527 -0.0000000), wk = 0.0035461
k( 200) = ( 0.6203606 0.3796394 -0.0000000), wk = 0.0035461
k( 201) = ( 0.6136739 0.3863261 -0.0000000), wk = 0.0035461
k( 202) = ( 0.6069872 0.3930128 -0.0000000), wk = 0.0035461
k( 203) = ( 0.6003005 0.3996995 -0.0000000), wk = 0.0035461
k( 204) = ( 0.5936138 0.4063862 -0.0000000), wk = 0.0035461
k( 205) = ( 0.5869271 0.4130729 -0.0000000), wk = 0.0035461
k( 206) = ( 0.5802404 0.4197596 -0.0000000), wk = 0.0035461
k( 207) = ( 0.5735537 0.4264463 -0.0000000), wk = 0.0035461
k( 208) = ( 0.5668670 0.4331330 -0.0000000), wk = 0.0035461
k( 209) = ( 0.5601803 0.4398197 -0.0000000), wk = 0.0035461
k( 210) = ( 0.5534936 0.4465064 -0.0000000), wk = 0.0035461
k( 211) = ( 0.5468069 0.4531931 -0.0000000), wk = 0.0035461
k( 212) = ( 0.5401202 0.4598798 -0.0000000), wk = 0.0035461
k( 213) = ( 0.5334335 0.4665665 -0.0000000), wk = 0.0035461
k( 214) = ( 0.5267468 0.4732532 -0.0000000), wk = 0.0035461
k( 215) = ( 0.5200601 0.4799399 -0.0000000), wk = 0.0035461
k( 216) = ( 0.5133734 0.4866266 -0.0000000), wk = 0.0035461
k( 217) = ( 0.5066867 0.4933133 -0.0000000), wk = 0.0035461
k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035461
k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035461
k( 220) = ( 0.5229258 0.5229258 0.0255769), wk = 0.0035461
k( 221) = ( 0.5458517 0.5458517 0.0511538), wk = 0.0035461
k( 222) = ( 0.5687775 0.5687775 0.0767307), wk = 0.0035461
k( 223) = ( 0.5917033 0.5917033 0.1023076), wk = 0.0035461
k( 224) = ( 0.6146292 0.6146292 0.1278845), wk = 0.0035461
k( 225) = ( 0.6375550 0.6375550 0.1534614), wk = 0.0035461
k( 226) = ( 0.6604808 0.6604808 0.1790383), wk = 0.0035461
k( 227) = ( 0.6604808 0.6604808 0.1790383), wk = 0.0035461
k( 228) = ( 0.6566599 0.6566599 0.1866803), wk = 0.0035461
k( 229) = ( 0.6528389 0.6528389 0.1943222), wk = 0.0035461
k( 230) = ( 0.6490179 0.6490179 0.2019641), wk = 0.0035461
k( 231) = ( 0.6451969 0.6451969 0.2096061), wk = 0.0035461
k( 232) = ( 0.6413760 0.6413760 0.2172480), wk = 0.0035461
k( 233) = ( 0.6375550 0.6375550 0.2248900), wk = 0.0035461
k( 234) = ( 0.6337340 0.6337340 0.2325319), wk = 0.0035461
k( 235) = ( 0.6299131 0.6299131 0.2401739), wk = 0.0035461
k( 236) = ( 0.6260921 0.6260921 0.2478158), wk = 0.0035461
k( 237) = ( 0.6222711 0.6222711 0.2554578), wk = 0.0035461
k( 238) = ( 0.6184502 0.6184502 0.2630997), wk = 0.0035461
k( 239) = ( 0.6146292 0.6146292 0.2707416), wk = 0.0035461
k( 240) = ( 0.6108082 0.6108082 0.2783836), wk = 0.0035461
k( 241) = ( 0.6069872 0.6069872 0.2860255), wk = 0.0035461
k( 242) = ( 0.6031663 0.6031663 0.2936675), wk = 0.0035461
k( 243) = ( 0.5993453 0.5993453 0.3013094), wk = 0.0035461
k( 244) = ( 0.5955243 0.5955243 0.3089514), wk = 0.0035461
k( 245) = ( 0.5917033 0.5917033 0.3165933), wk = 0.0035461
k( 246) = ( 0.5878824 0.5878824 0.3242353), wk = 0.0035461
k( 247) = ( 0.5840614 0.5840614 0.3318772), wk = 0.0035461
k( 248) = ( 0.5802404 0.5802404 0.3395192), wk = 0.0035461
k( 249) = ( 0.5764195 0.5764195 0.3471611), wk = 0.0035461
k( 250) = ( 0.5725985 0.5725985 0.3548030), wk = 0.0035461
k( 251) = ( 0.5687775 0.5687775 0.3624450), wk = 0.0035461
k( 252) = ( 0.5649565 0.5649565 0.3700869), wk = 0.0035461
k( 253) = ( 0.5611356 0.5611356 0.3777289), wk = 0.0035461
k( 254) = ( 0.5573146 0.5573146 0.3853708), wk = 0.0035461
k( 255) = ( 0.5534936 0.5534936 0.3930128), wk = 0.0035461
k( 256) = ( 0.5496726 0.5496726 0.4006547), wk = 0.0035461
k( 257) = ( 0.5458517 0.5458517 0.4082967), wk = 0.0035461
k( 258) = ( 0.5420307 0.5420307 0.4159386), wk = 0.0035461
k( 259) = ( 0.5382097 0.5382097 0.4235805), wk = 0.0035461
k( 260) = ( 0.5343887 0.5343887 0.4312225), wk = 0.0035461
k( 261) = ( 0.5305678 0.5305678 0.4388644), wk = 0.0035461
k( 262) = ( 0.5267468 0.5267468 0.4465064), wk = 0.0035461
k( 263) = ( 0.5229258 0.5229258 0.4541483), wk = 0.0035461
k( 264) = ( 0.5191049 0.5191049 0.4617903), wk = 0.0035461
k( 265) = ( 0.5152839 0.5152839 0.4694322), wk = 0.0035461
k( 266) = ( 0.5114629 0.5114629 0.4770742), wk = 0.0035461
k( 267) = ( 0.5076419 0.5076419 0.4847161), wk = 0.0035461
k( 268) = ( 0.5038210 0.5038210 0.4923581), wk = 0.0035461
k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461
k( 270) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035461
k( 271) = ( 0.5267468 0.0282933 0.0282933), wk = 0.0035461
k( 272) = ( 0.5534936 0.0565865 0.0565865), wk = 0.0035461
k( 273) = ( 0.5802404 0.0848798 0.0848798), wk = 0.0035461
k( 274) = ( 0.6069872 0.1131730 0.1131730), wk = 0.0035461
k( 275) = ( 0.6337340 0.1414663 0.1414663), wk = 0.0035461
k( 276) = ( 0.6604808 0.1697596 0.1697596), wk = 0.0035461
k( 277) = ( 0.6872276 0.1980528 0.1980528), wk = 0.0035461
k( 278) = ( 0.7139745 0.2263461 0.2263461), wk = 0.0035461
k( 279) = ( 0.7407213 0.2546394 0.2546394), wk = 0.0035461
k( 280) = ( 0.7674681 0.2829326 0.2829326), wk = 0.0035461
k( 281) = ( 0.7942149 0.3112259 0.3112259), wk = 0.0035461
k( 282) = ( 0.8209617 0.3395192 0.3395192), wk = 0.0035461
Dense grid: 66297 G-vectors FFT dimensions: ( 96, 96, 96)
Smooth grid: 41445 G-vectors FFT dimensions: ( 80, 80, 80)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.26 Mb ( 298, 58)
NL pseudopotentials 0.30 Mb ( 149, 130)
Each V/rho on FFT grid 0.42 Mb ( 27648)
Each G-vector array 0.01 Mb ( 1842)
G-vector shells 0.01 Mb ( 1514)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.05 Mb ( 298, 232)
Each subspace H/S matrix 0.05 Mb ( 58, 58)
Each <psi_i|beta_j> matrix 0.23 Mb ( 130, 2, 58)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./SrxSnAsx2.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 4.4 secs
Computing kpt #: 2
total cpu time spent up to now is 5.8 secs
Computing kpt #: 3
total cpu time spent up to now is 7.1 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 9.8 secs
Computing kpt #: 6
total cpu time spent up to now is 11.1 secs
Computing kpt #: 7
total cpu time spent up to now is 12.5 secs
Computing kpt #: 8
total cpu time spent up to now is 13.9 secs
Computing kpt #: 9
total cpu time spent up to now is 15.3 secs
Computing kpt #: 10
total cpu time spent up to now is 16.6 secs
Computing kpt #: 11
total cpu time spent up to now is 18.1 secs
Computing kpt #: 12
total cpu time spent up to now is 19.4 secs
Computing kpt #: 13
total cpu time spent up to now is 21.1 secs
Computing kpt #: 14
total cpu time spent up to now is 22.5 secs
Computing kpt #: 15
total cpu time spent up to now is 23.9 secs
Computing kpt #: 16
total cpu time spent up to now is 25.3 secs
Computing kpt #: 17
total cpu time spent up to now is 26.7 secs
Computing kpt #: 18
total cpu time spent up to now is 28.0 secs
Computing kpt #: 19
total cpu time spent up to now is 29.4 secs
Computing kpt #: 20
total cpu time spent up to now is 30.8 secs
Computing kpt #: 21
total cpu time spent up to now is 32.1 secs
Computing kpt #: 22
total cpu time spent up to now is 33.4 secs
Computing kpt #: 23
total cpu time spent up to now is 34.8 secs
Computing kpt #: 24
total cpu time spent up to now is 36.1 secs
Computing kpt #: 25
total cpu time spent up to now is 37.4 secs
Computing kpt #: 26
total cpu time spent up to now is 38.7 secs
Computing kpt #: 27
total cpu time spent up to now is 40.0 secs
Computing kpt #: 28
total cpu time spent up to now is 41.3 secs
Computing kpt #: 29
total cpu time spent up to now is 42.6 secs
Computing kpt #: 30
total cpu time spent up to now is 43.9 secs
Computing kpt #: 31
total cpu time spent up to now is 45.2 secs
Computing kpt #: 32
total cpu time spent up to now is 46.4 secs
Computing kpt #: 33
total cpu time spent up to now is 47.7 secs
Computing kpt #: 34
total cpu time spent up to now is 48.9 secs
Computing kpt #: 35
total cpu time spent up to now is 50.2 secs
Computing kpt #: 36
total cpu time spent up to now is 51.5 secs
Computing kpt #: 37
total cpu time spent up to now is 52.7 secs
Computing kpt #: 38
total cpu time spent up to now is 54.0 secs
Computing kpt #: 39
total cpu time spent up to now is 55.2 secs
Computing kpt #: 40
total cpu time spent up to now is 56.5 secs
Computing kpt #: 41
total cpu time spent up to now is 57.7 secs
Computing kpt #: 42
total cpu time spent up to now is 58.9 secs
Computing kpt #: 43
total cpu time spent up to now is 60.1 secs
Computing kpt #: 44
total cpu time spent up to now is 61.4 secs
Computing kpt #: 45
total cpu time spent up to now is 62.6 secs
Computing kpt #: 46
total cpu time spent up to now is 63.8 secs
Computing kpt #: 47
total cpu time spent up to now is 65.0 secs
Computing kpt #: 48
total cpu time spent up to now is 66.2 secs
Computing kpt #: 49
total cpu time spent up to now is 67.5 secs
Computing kpt #: 50
total cpu time spent up to now is 68.7 secs
Computing kpt #: 51
total cpu time spent up to now is 70.0 secs
Computing kpt #: 52
total cpu time spent up to now is 71.2 secs
Computing kpt #: 53
total cpu time spent up to now is 72.5 secs
Computing kpt #: 54
total cpu time spent up to now is 73.8 secs
Computing kpt #: 55
total cpu time spent up to now is 75.0 secs
Computing kpt #: 56
total cpu time spent up to now is 76.3 secs
Computing kpt #: 57
total cpu time spent up to now is 77.6 secs
Computing kpt #: 58
total cpu time spent up to now is 78.8 secs
Computing kpt #: 59
total cpu time spent up to now is 80.1 secs
Computing kpt #: 60
total cpu time spent up to now is 81.4 secs
Computing kpt #: 61
total cpu time spent up to now is 82.7 secs
Computing kpt #: 62
total cpu time spent up to now is 84.0 secs
Computing kpt #: 63
total cpu time spent up to now is 85.3 secs
Computing kpt #: 64
total cpu time spent up to now is 86.6 secs
Computing kpt #: 65
total cpu time spent up to now is 88.0 secs
Computing kpt #: 66
total cpu time spent up to now is 89.3 secs
Computing kpt #: 67
total cpu time spent up to now is 90.7 secs
Computing kpt #: 68
total cpu time spent up to now is 92.0 secs
Computing kpt #: 69
total cpu time spent up to now is 93.4 secs
Computing kpt #: 70
total cpu time spent up to now is 94.7 secs
Computing kpt #: 71
total cpu time spent up to now is 96.0 secs
Computing kpt #: 72
total cpu time spent up to now is 97.3 secs
Computing kpt #: 73
total cpu time spent up to now is 98.6 secs
Computing kpt #: 74
total cpu time spent up to now is 99.9 secs
Computing kpt #: 75
total cpu time spent up to now is 101.1 secs
Computing kpt #: 76
total cpu time spent up to now is 102.4 secs
Computing kpt #: 77
total cpu time spent up to now is 103.7 secs
Computing kpt #: 78
total cpu time spent up to now is 105.0 secs
Computing kpt #: 79
total cpu time spent up to now is 106.3 secs
Computing kpt #: 80
total cpu time spent up to now is 107.5 secs
Computing kpt #: 81
total cpu time spent up to now is 108.8 secs
Computing kpt #: 82
total cpu time spent up to now is 110.1 secs
Computing kpt #: 83
total cpu time spent up to now is 111.4 secs
Computing kpt #: 84
total cpu time spent up to now is 112.6 secs
Computing kpt #: 85
total cpu time spent up to now is 113.9 secs
Computing kpt #: 86
total cpu time spent up to now is 115.2 secs
Computing kpt #: 87
total cpu time spent up to now is 116.6 secs
Computing kpt #: 88
total cpu time spent up to now is 117.9 secs
Computing kpt #: 89
total cpu time spent up to now is 119.2 secs
Computing kpt #: 90
total cpu time spent up to now is 120.6 secs
Computing kpt #: 91
total cpu time spent up to now is 121.9 secs
Computing kpt #: 92
total cpu time spent up to now is 123.3 secs
Computing kpt #: 93
total cpu time spent up to now is 124.6 secs
Computing kpt #: 94
total cpu time spent up to now is 126.0 secs
Computing kpt #: 95
total cpu time spent up to now is 127.4 secs
Computing kpt #: 96
total cpu time spent up to now is 128.7 secs
Computing kpt #: 97
total cpu time spent up to now is 130.1 secs
Computing kpt #: 98
total cpu time spent up to now is 135.5 secs
Computing kpt #: 99
total cpu time spent up to now is 136.9 secs
Computing kpt #: 100
total cpu time spent up to now is 138.2 secs
Computing kpt #: 101
total cpu time spent up to now is 139.6 secs
Computing kpt #: 102
total cpu time spent up to now is 141.0 secs
Computing kpt #: 103
total cpu time spent up to now is 142.3 secs
Computing kpt #: 104
total cpu time spent up to now is 143.7 secs
Computing kpt #: 105
total cpu time spent up to now is 145.0 secs
Computing kpt #: 106
total cpu time spent up to now is 146.4 secs
Computing kpt #: 107
total cpu time spent up to now is 147.8 secs
Computing kpt #: 108
total cpu time spent up to now is 149.1 secs
Computing kpt #: 109
total cpu time spent up to now is 150.5 secs
Computing kpt #: 110
total cpu time spent up to now is 151.9 secs
Computing kpt #: 111
total cpu time spent up to now is 153.3 secs
Computing kpt #: 112
total cpu time spent up to now is 154.7 secs
Computing kpt #: 113
total cpu time spent up to now is 156.1 secs
Computing kpt #: 114
total cpu time spent up to now is 157.4 secs
Computing kpt #: 115
total cpu time spent up to now is 158.8 secs
Computing kpt #: 116
total cpu time spent up to now is 160.2 secs
Computing kpt #: 117
total cpu time spent up to now is 161.6 secs
Computing kpt #: 118
total cpu time spent up to now is 163.0 secs
Computing kpt #: 119
total cpu time spent up to now is 164.3 secs
Computing kpt #: 120
total cpu time spent up to now is 165.7 secs
Computing kpt #: 121
total cpu time spent up to now is 167.0 secs
Computing kpt #: 122
total cpu time spent up to now is 168.3 secs
Computing kpt #: 123
total cpu time spent up to now is 169.5 secs
Computing kpt #: 124
total cpu time spent up to now is 170.8 secs
Computing kpt #: 125
total cpu time spent up to now is 172.1 secs
Computing kpt #: 126
total cpu time spent up to now is 173.4 secs
Computing kpt #: 127
total cpu time spent up to now is 174.7 secs
Computing kpt #: 128
total cpu time spent up to now is 176.0 secs
Computing kpt #: 129
total cpu time spent up to now is 177.4 secs
Computing kpt #: 130
total cpu time spent up to now is 178.7 secs
Computing kpt #: 131
total cpu time spent up to now is 180.0 secs
Computing kpt #: 132
total cpu time spent up to now is 181.3 secs
Computing kpt #: 133
total cpu time spent up to now is 182.6 secs
Computing kpt #: 134
total cpu time spent up to now is 183.9 secs
Computing kpt #: 135
total cpu time spent up to now is 185.2 secs
Computing kpt #: 136
total cpu time spent up to now is 186.5 secs
Computing kpt #: 137
total cpu time spent up to now is 187.8 secs
Computing kpt #: 138
total cpu time spent up to now is 189.1 secs
Computing kpt #: 139
total cpu time spent up to now is 190.4 secs
Computing kpt #: 140
total cpu time spent up to now is 191.7 secs
Computing kpt #: 141
total cpu time spent up to now is 193.1 secs
Computing kpt #: 142
total cpu time spent up to now is 194.4 secs
Computing kpt #: 143
total cpu time spent up to now is 195.7 secs
Computing kpt #: 144
total cpu time spent up to now is 197.0 secs
Computing kpt #: 145
total cpu time spent up to now is 198.4 secs
Computing kpt #: 146
total cpu time spent up to now is 199.7 secs
Computing kpt #: 147
total cpu time spent up to now is 201.1 secs
Computing kpt #: 148
total cpu time spent up to now is 202.5 secs
Computing kpt #: 149
total cpu time spent up to now is 203.9 secs
Computing kpt #: 150
total cpu time spent up to now is 205.2 secs
Computing kpt #: 151
total cpu time spent up to now is 206.6 secs
Computing kpt #: 152
total cpu time spent up to now is 208.0 secs
Computing kpt #: 153
total cpu time spent up to now is 209.3 secs
Computing kpt #: 154
total cpu time spent up to now is 210.7 secs
Computing kpt #: 155
total cpu time spent up to now is 212.1 secs
Computing kpt #: 156
total cpu time spent up to now is 213.5 secs
Computing kpt #: 157
total cpu time spent up to now is 214.8 secs
Computing kpt #: 158
total cpu time spent up to now is 216.2 secs
Computing kpt #: 159
total cpu time spent up to now is 217.5 secs
Computing kpt #: 160
total cpu time spent up to now is 218.9 secs
Computing kpt #: 161
total cpu time spent up to now is 220.2 secs
Computing kpt #: 162
total cpu time spent up to now is 221.5 secs
Computing kpt #: 163
total cpu time spent up to now is 222.9 secs
Computing kpt #: 164
total cpu time spent up to now is 224.2 secs
Computing kpt #: 165
total cpu time spent up to now is 225.5 secs
Computing kpt #: 166
total cpu time spent up to now is 226.8 secs
Computing kpt #: 167
total cpu time spent up to now is 228.1 secs
Computing kpt #: 168
total cpu time spent up to now is 229.4 secs
Computing kpt #: 169
total cpu time spent up to now is 230.7 secs
Computing kpt #: 170
total cpu time spent up to now is 232.0 secs
Computing kpt #: 171
total cpu time spent up to now is 233.3 secs
Computing kpt #: 172
total cpu time spent up to now is 234.6 secs
Computing kpt #: 173
total cpu time spent up to now is 235.8 secs
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total cpu time spent up to now is 237.1 secs
Computing kpt #: 175
total cpu time spent up to now is 238.4 secs
Computing kpt #: 176
total cpu time spent up to now is 239.6 secs
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total cpu time spent up to now is 240.9 secs
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total cpu time spent up to now is 242.2 secs
Computing kpt #: 179
total cpu time spent up to now is 243.5 secs
Computing kpt #: 180
total cpu time spent up to now is 244.8 secs
Computing kpt #: 181
total cpu time spent up to now is 246.1 secs
Computing kpt #: 182
total cpu time spent up to now is 247.5 secs
Computing kpt #: 183
total cpu time spent up to now is 248.8 secs
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total cpu time spent up to now is 250.2 secs
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total cpu time spent up to now is 251.5 secs
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total cpu time spent up to now is 252.9 secs
Computing kpt #: 187
total cpu time spent up to now is 254.3 secs
Computing kpt #: 188
total cpu time spent up to now is 255.6 secs
Computing kpt #: 189
total cpu time spent up to now is 257.0 secs
Computing kpt #: 190
total cpu time spent up to now is 258.3 secs
Computing kpt #: 191
total cpu time spent up to now is 259.6 secs
Computing kpt #: 192
total cpu time spent up to now is 260.9 secs
Computing kpt #: 193
total cpu time spent up to now is 262.2 secs
Computing kpt #: 194
total cpu time spent up to now is 263.5 secs
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total cpu time spent up to now is 264.8 secs
Computing kpt #: 196
total cpu time spent up to now is 266.0 secs
Computing kpt #: 197
total cpu time spent up to now is 267.3 secs
Computing kpt #: 198
total cpu time spent up to now is 268.6 secs
Computing kpt #: 199
total cpu time spent up to now is 269.9 secs
Computing kpt #: 200
total cpu time spent up to now is 271.1 secs
Computing kpt #: 201
total cpu time spent up to now is 272.4 secs
Computing kpt #: 202
total cpu time spent up to now is 273.7 secs
Computing kpt #: 203
total cpu time spent up to now is 274.9 secs
Computing kpt #: 204
total cpu time spent up to now is 276.2 secs
Computing kpt #: 205
total cpu time spent up to now is 277.5 secs
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total cpu time spent up to now is 278.7 secs
Computing kpt #: 207
total cpu time spent up to now is 280.0 secs
Computing kpt #: 208
total cpu time spent up to now is 281.2 secs
Computing kpt #: 209
total cpu time spent up to now is 282.5 secs
Computing kpt #: 210
total cpu time spent up to now is 283.8 secs
Computing kpt #: 211
total cpu time spent up to now is 285.0 secs
Computing kpt #: 212
total cpu time spent up to now is 287.1 secs
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total cpu time spent up to now is 288.4 secs
Computing kpt #: 214
total cpu time spent up to now is 289.7 secs
Computing kpt #: 215
total cpu time spent up to now is 290.9 secs
Computing kpt #: 216
total cpu time spent up to now is 292.2 secs
Computing kpt #: 217
total cpu time spent up to now is 293.5 secs
Computing kpt #: 218
total cpu time spent up to now is 294.7 secs
Computing kpt #: 219
total cpu time spent up to now is 296.0 secs
Computing kpt #: 220
total cpu time spent up to now is 297.2 secs
Computing kpt #: 221
total cpu time spent up to now is 298.5 secs
Computing kpt #: 222
total cpu time spent up to now is 299.8 secs
Computing kpt #: 223
total cpu time spent up to now is 301.0 secs
Computing kpt #: 224
total cpu time spent up to now is 302.4 secs
Computing kpt #: 225
total cpu time spent up to now is 304.2 secs
Computing kpt #: 226
total cpu time spent up to now is 305.5 secs
Computing kpt #: 227
total cpu time spent up to now is 306.8 secs
Computing kpt #: 228
total cpu time spent up to now is 308.1 secs
Computing kpt #: 229
total cpu time spent up to now is 309.4 secs
Computing kpt #: 230
total cpu time spent up to now is 310.7 secs
Computing kpt #: 231
total cpu time spent up to now is 311.9 secs
Computing kpt #: 232
total cpu time spent up to now is 313.2 secs
Computing kpt #: 233
total cpu time spent up to now is 314.5 secs
Computing kpt #: 234
total cpu time spent up to now is 315.8 secs
Computing kpt #: 235
total cpu time spent up to now is 317.1 secs
Computing kpt #: 236
total cpu time spent up to now is 318.3 secs
Computing kpt #: 237
total cpu time spent up to now is 319.6 secs
Computing kpt #: 238
total cpu time spent up to now is 320.9 secs
Computing kpt #: 239
total cpu time spent up to now is 322.2 secs
Computing kpt #: 240
total cpu time spent up to now is 323.5 secs
Computing kpt #: 241
total cpu time spent up to now is 324.8 secs
Computing kpt #: 242
total cpu time spent up to now is 326.1 secs
Computing kpt #: 243
total cpu time spent up to now is 327.4 secs
Computing kpt #: 244
total cpu time spent up to now is 328.8 secs
Computing kpt #: 245
total cpu time spent up to now is 330.1 secs
Computing kpt #: 246
total cpu time spent up to now is 331.4 secs
Computing kpt #: 247
total cpu time spent up to now is 335.3 secs
Computing kpt #: 248
total cpu time spent up to now is 336.7 secs
Computing kpt #: 249
total cpu time spent up to now is 338.0 secs
Computing kpt #: 250
total cpu time spent up to now is 339.4 secs
Computing kpt #: 251
total cpu time spent up to now is 340.7 secs
Computing kpt #: 252
total cpu time spent up to now is 342.0 secs
Computing kpt #: 253
total cpu time spent up to now is 343.4 secs
Computing kpt #: 254
total cpu time spent up to now is 344.7 secs
Computing kpt #: 255
total cpu time spent up to now is 346.1 secs
Computing kpt #: 256
total cpu time spent up to now is 347.5 secs
Computing kpt #: 257
total cpu time spent up to now is 348.9 secs
Computing kpt #: 258
total cpu time spent up to now is 350.3 secs
Computing kpt #: 259
total cpu time spent up to now is 351.8 secs
Computing kpt #: 260
total cpu time spent up to now is 353.2 secs
Computing kpt #: 261
total cpu time spent up to now is 354.6 secs
Computing kpt #: 262
total cpu time spent up to now is 356.0 secs
Computing kpt #: 263
total cpu time spent up to now is 357.3 secs
Computing kpt #: 264
total cpu time spent up to now is 358.7 secs
Computing kpt #: 265
total cpu time spent up to now is 360.1 secs
Computing kpt #: 266
total cpu time spent up to now is 361.4 secs
Computing kpt #: 267
total cpu time spent up to now is 362.8 secs
Computing kpt #: 268
total cpu time spent up to now is 364.1 secs
Computing kpt #: 269
total cpu time spent up to now is 365.3 secs
Computing kpt #: 270
total cpu time spent up to now is 366.6 secs
Computing kpt #: 271
total cpu time spent up to now is 367.8 secs
Computing kpt #: 272
total cpu time spent up to now is 369.6 secs
Computing kpt #: 273
total cpu time spent up to now is 370.9 secs
Computing kpt #: 274
total cpu time spent up to now is 372.1 secs
Computing kpt #: 275
total cpu time spent up to now is 373.4 secs
Computing kpt #: 276
total cpu time spent up to now is 374.6 secs
Computing kpt #: 277
total cpu time spent up to now is 375.9 secs
Computing kpt #: 278
total cpu time spent up to now is 377.2 secs
Computing kpt #: 279
total cpu time spent up to now is 378.4 secs
Computing kpt #: 280
total cpu time spent up to now is 379.7 secs
Computing kpt #: 281
total cpu time spent up to now is 380.9 secs
Computing kpt #: 282
total cpu time spent up to now is 382.2 secs
ethr = 2.08E-08, avg # of iterations = 17.4
total cpu time spent up to now is 382.2 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3994 -3.3994 -2.7399 -2.7399
1.1271 1.1271 4.3646 4.3646 6.4758 6.4758 7.1122 7.1122
7.3140 7.3140 7.4948 7.4948 7.7458 7.7458 9.0783 9.0783
9.2388 9.2388 9.9689 9.9689 10.2500 10.2500 11.6163 11.6163
11.7398 11.7398
k = 0.0114-0.0230-0.0137 ( 5159 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3964 -13.3964 -13.3957 -13.3957
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3820 -12.3820
-12.3364 -12.3364 -12.3243 -12.3243 -12.3199 -12.3199 -9.5854 -9.5854
-8.5107 -8.5107 -8.3698 -8.3698 -3.3981 -3.3981 -2.7391 -2.7391
1.1280 1.1280 4.3613 4.3613 6.4753 6.4753 7.1104 7.1104
7.3120 7.3120 7.4857 7.4857 7.7343 7.7343 9.0927 9.0927
9.2366 9.2366 9.9749 9.9749 10.2537 10.2537 11.6118 11.6118
11.7373 11.7373
k = 0.0227-0.0459-0.0275 ( 5167 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3968 -13.3968 -13.3953 -13.3953
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3819 -12.3819
-12.3365 -12.3365 -12.3244 -12.3244 -12.3199 -12.3199 -9.5856 -9.5856
-8.5108 -8.5108 -8.3705 -8.3705 -3.3943 -3.3943 -2.7367 -2.7367
1.1306 1.1306 4.3514 4.3514 6.4735 6.4735 7.1050 7.1050
7.3059 7.3059 7.4582 7.4582 7.7027 7.7027 9.1285 9.1285
9.2344 9.2344 9.9930 9.9930 10.2649 10.2649 11.5978 11.5978
11.7299 11.7299
k = 0.0341-0.0689-0.0412 ( 5168 PWs) bands (ev):
-26.7629 -26.7629 -13.4110 -13.4110 -13.3971 -13.3971 -13.3950 -13.3950
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3817 -12.3817
-12.3365 -12.3365 -12.3245 -12.3245 -12.3198 -12.3198 -9.5859 -9.5859
-8.5108 -8.5108 -8.3716 -8.3716 -3.3879 -3.3879 -2.7327 -2.7327
1.1349 1.1349 4.3351 4.3351 6.4698 6.4698 7.0954 7.0954
7.2959 7.2959 7.4126 7.4126 7.6587 7.6587 9.1533 9.1533
9.2585 9.2585 10.0224 10.0224 10.2838 10.2838 11.5724 11.5724
11.7189 11.7189
k = 0.0455-0.0919-0.0550 ( 5165 PWs) bands (ev):
-26.7628 -26.7628 -13.4110 -13.4110 -13.3974 -13.3974 -13.3946 -13.3946
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3814 -12.3814
-12.3366 -12.3366 -12.3247 -12.3247 -12.3197 -12.3197 -9.5863 -9.5863
-8.5109 -8.5109 -8.3730 -8.3730 -3.3789 -3.3789 -2.7272 -2.7272
1.1409 1.1409 4.3124 4.3124 6.4630 6.4630 7.0810 7.0810
7.2811 7.2811 7.3529 7.3529 7.6093 7.6093 9.1390 9.1390
9.3289 9.3289 10.0624 10.0624 10.3105 10.3105 11.5338 11.5338
11.7056 11.7056
k = 0.0568-0.1149-0.0687 ( 5163 PWs) bands (ev):
-26.7626 -26.7626 -13.4109 -13.4109 -13.3978 -13.3978 -13.3942 -13.3942
-13.3704 -13.3704 -12.3908 -12.3908 -12.3844 -12.3844 -12.3811 -12.3811
-12.3367 -12.3367 -12.3249 -12.3249 -12.3196 -12.3196 -9.5869 -9.5869
-8.5111 -8.5111 -8.3749 -8.3749 -3.3673 -3.3673 -2.7200 -2.7200
1.1484 1.1484 4.2834 4.2834 6.4509 6.4509 7.0600 7.0600
7.2532 7.2532 7.2949 7.2949 7.5581 7.5581 9.1046 9.1046
9.4199 9.4199 10.1121 10.1121 10.3453 10.3453 11.4819 11.4819
11.6909 11.6909
k = 0.0682-0.1378-0.0825 ( 5158 PWs) bands (ev):
-26.7624 -26.7624 -13.4109 -13.4109 -13.3981 -13.3981 -13.3938 -13.3938
-13.3704 -13.3704 -12.3908 -12.3908 -12.3845 -12.3845 -12.3808 -12.3808
-12.3368 -12.3368 -12.3251 -12.3251 -12.3195 -12.3195 -9.5876 -9.5876
-8.5113 -8.5113 -8.3772 -8.3772 -3.3533 -3.3533 -2.7113 -2.7113
1.1576 1.1576 4.2482 4.2482 6.4305 6.4305 7.0296 7.0296
7.1978 7.1978 7.2647 7.2647 7.5058 7.5058 9.0591 9.0591
9.5168 9.5168 10.1701 10.1701 10.3880 10.3880 11.4181 11.4181
11.6753 11.6753
k = 0.0795-0.1608-0.0962 ( 5168 PWs) bands (ev):
-26.7622 -26.7622 -13.4108 -13.4108 -13.3984 -13.3984 -13.3934 -13.3934
-13.3705 -13.3705 -12.3909 -12.3909 -12.3845 -12.3845 -12.3803 -12.3803
-12.3369 -12.3369 -12.3254 -12.3254 -12.3194 -12.3194 -9.5884 -9.5884
-8.5115 -8.5115 -8.3798 -8.3798 -3.3367 -3.3367 -2.7011 -2.7011
1.1682 1.1682 4.2071 4.2071 6.3979 6.3979 6.9875 6.9875
7.1433 7.1433 7.2448 7.2448 7.4524 7.4524 9.0049 9.0049
9.6127 9.6127 10.2351 10.2351 10.4382 10.4382 11.3453 11.3453
11.6584 11.6584
k = 0.0909-0.1838-0.1100 ( 5160 PWs) bands (ev):
-26.7620 -26.7620 -13.4107 -13.4107 -13.3986 -13.3986 -13.3930 -13.3930
-13.3705 -13.3705 -12.3909 -12.3909 -12.3846 -12.3846 -12.3799 -12.3799
-12.3371 -12.3371 -12.3257 -12.3257 -12.3192 -12.3192 -9.5893 -9.5893
-8.5118 -8.5118 -8.3827 -8.3827 -3.3177 -3.3177 -2.6894 -2.6894
1.1801 1.1801 4.1603 4.1603 6.3490 6.3490 6.9381 6.9381
7.1025 7.1025 7.2262 7.2262 7.3979 7.3979 8.9432 8.9432
9.7034 9.7034 10.3048 10.3048 10.4952 10.4952 11.2661 11.2661
11.6405 11.6405
k = 0.1023-0.2068-0.1237 ( 5159 PWs) bands (ev):
-26.7617 -26.7617 -13.4105 -13.4105 -13.3989 -13.3989 -13.3926 -13.3926
-13.3706 -13.3706 -12.3908 -12.3908 -12.3846 -12.3846 -12.3794 -12.3794
-12.3373 -12.3373 -12.3260 -12.3260 -12.3190 -12.3190 -9.5903 -9.5903
-8.5121 -8.5121 -8.3860 -8.3860 -3.2962 -3.2962 -2.6761 -2.6761
1.1933 1.1933 4.1080 4.1080 6.2813 6.2813 6.8908 6.8908
7.0723 7.0723 7.2074 7.2074 7.3432 7.3432 8.8749 8.8749
9.7858 9.7858 10.3765 10.3765 10.5579 10.5579 11.1834 11.1834
11.6227 11.6227
k = 0.1136-0.2297-0.1375 ( 5163 PWs) bands (ev):
-26.7614 -26.7614 -13.4104 -13.4104 -13.3992 -13.3992 -13.3922 -13.3922
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3789 -12.3789
-12.3375 -12.3375 -12.3264 -12.3264 -12.3189 -12.3189 -9.5914 -9.5914
-8.5125 -8.5125 -8.3895 -8.3895 -3.2723 -3.2723 -2.6614 -2.6614
1.2075 1.2075 4.0506 4.0506 6.1955 6.1955 6.8508 6.8508
7.0486 7.0486 7.1871 7.1871 7.2905 7.2905 8.8007 8.8007
9.8582 9.8582 10.4462 10.4462 10.6246 10.6246 11.0997 11.0997
11.6068 11.6068
k = 0.1250-0.2527-0.1512 ( 5158 PWs) bands (ev):
-26.7610 -26.7610 -13.4103 -13.4103 -13.3994 -13.3994 -13.3918 -13.3918
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3783 -12.3783
-12.3377 -12.3377 -12.3267 -12.3267 -12.3187 -12.3187 -9.5927 -9.5927
-8.5130 -8.5130 -8.3932 -8.3932 -3.2460 -3.2460 -2.6452 -2.6452
1.2227 1.2227 3.9883 3.9883 6.0953 6.0953 6.8176 6.8176
7.0294 7.0294 7.1616 7.1616 7.2446 7.2446 8.7214 8.7214
9.9195 9.9195 10.5089 10.5089 10.6930 10.6930 11.0177 11.0177
11.5952 11.5952
k = 0.1364-0.2757-0.1650 ( 5166 PWs) bands (ev):
-26.7607 -26.7607 -13.4101 -13.4101 -13.3997 -13.3997 -13.3914 -13.3914
-13.3708 -13.3708 -12.3907 -12.3907 -12.3846 -12.3846 -12.3777 -12.3777
-12.3380 -12.3380 -12.3271 -12.3271 -12.3185 -12.3185 -9.5940 -9.5940
-8.5136 -8.5136 -8.3972 -8.3972 -3.2174 -3.2174 -2.6277 -2.6277
1.2386 1.2386 3.9214 3.9214 5.9851 5.9851 6.7881 6.7881
7.0127 7.0127 7.1255 7.1255 7.2133 7.2133 8.6374 8.6374
9.9692 9.9692 10.5586 10.5586 10.7607 10.7607 10.9404 10.9404
11.5895 11.5895
k = 0.1477-0.2987-0.1787 ( 5168 PWs) bands (ev):
-26.7603 -26.7603 -13.4100 -13.4100 -13.3999 -13.3999 -13.3910 -13.3910
-13.3709 -13.3709 -12.3907 -12.3907 -12.3846 -12.3846 -12.3771 -12.3771
-12.3383 -12.3383 -12.3274 -12.3274 -12.3183 -12.3183 -9.5955 -9.5955
-8.5143 -8.5143 -8.4012 -8.4012 -3.1865 -3.1865 -2.6087 -2.6087
1.2550 1.2550 3.8503 3.8503 5.8689 5.8689 6.7594 6.7594
6.9949 6.9949 7.0818 7.0818 7.1976 7.1976 8.5496 8.5496
10.0069 10.0069 10.5885 10.5885 10.8249 10.8249 10.8723 10.8723
11.5901 11.5901
k = 0.1591-0.3216-0.1925 ( 5168 PWs) bands (ev):
-26.7599 -26.7599 -13.4098 -13.4098 -13.4001 -13.4001 -13.3906 -13.3906
-13.3710 -13.3710 -12.3906 -12.3906 -12.3846 -12.3846 -12.3765 -12.3765
-12.3386 -12.3386 -12.3278 -12.3278 -12.3181 -12.3181 -9.5970 -9.5970
-8.5151 -8.5151 -8.4054 -8.4054 -3.1533 -3.1533 -2.5885 -2.5885
1.2716 1.2716 3.7754 3.7754 5.7498 5.7498 6.7299 6.7299
6.9680 6.9680 7.0432 7.0432 7.1930 7.1930 8.4583 8.4583
10.0320 10.0320 10.5936 10.5936 10.8163 10.8163 10.8846 10.8846
11.5957 11.5957
k = 0.1705-0.3446-0.2062 ( 5168 PWs) bands (ev):
-26.7595 -26.7595 -13.4096 -13.4096 -13.4003 -13.4003 -13.3902 -13.3902
-13.3711 -13.3711 -12.3905 -12.3905 -12.3846 -12.3846 -12.3759 -12.3759
-12.3390 -12.3390 -12.3281 -12.3281 -12.3179 -12.3179 -9.5987 -9.5987
-8.5160 -8.5160 -8.4096 -8.4096 -3.1180 -3.1180 -2.5669 -2.5669
1.2882 1.2882 3.6971 3.6971 5.6301 5.6301 6.6988 6.6988
6.9254 6.9254 7.0177 7.0177 7.1972 7.1972 8.3640 8.3640
10.0441 10.0441 10.5746 10.5746 10.7752 10.7752 10.9347 10.9347
11.6055 11.6055
k = 0.1818-0.3676-0.2200 ( 5166 PWs) bands (ev):
-26.7591 -26.7591 -13.4094 -13.4094 -13.4005 -13.4005 -13.3898 -13.3898
-13.3712 -13.3712 -12.3904 -12.3904 -12.3845 -12.3845 -12.3753 -12.3753
-12.3394 -12.3394 -12.3285 -12.3285 -12.3178 -12.3178 -9.6005 -9.6005
-8.5170 -8.5170 -8.4138 -8.4138 -3.0805 -3.0805 -2.5442 -2.5442
1.3045 1.3045 3.6158 3.6158 5.5115 5.5115 6.6660 6.6660
6.8732 6.8732 6.9999 6.9999 7.2091 7.2091 8.2673 8.2673
10.0425 10.0425 10.5415 10.5415 10.7423 10.7423 10.9730 10.9730
11.6210 11.6210
k = 0.1932-0.3906-0.2337 ( 5167 PWs) bands (ev):
-26.7586 -26.7586 -13.4093 -13.4093 -13.4006 -13.4006 -13.3894 -13.3894
-13.3714 -13.3714 -12.3902 -12.3902 -12.3845 -12.3845 -12.3747 -12.3747
-12.3398 -12.3398 -12.3288 -12.3288 -12.3176 -12.3176 -9.6023 -9.6023
-8.5183 -8.5183 -8.4180 -8.4180 -3.0410 -3.0410 -2.5203 -2.5203
1.3201 1.3201 3.5320 3.5320 5.3954 5.3954 6.6318 6.6318
6.8179 6.8179 6.9838 6.9838 7.2275 7.2275 8.1686 8.1686
10.0273 10.0273 10.5053 10.5053 10.7112 10.7112 10.9970 10.9970
11.6450 11.6450
k = 0.2045-0.4135-0.2475 ( 5165 PWs) bands (ev):
-26.7581 -26.7581 -13.4091 -13.4091 -13.4008 -13.4008 -13.3891 -13.3891
-13.3715 -13.3715 -12.3901 -12.3901 -12.3844 -12.3844 -12.3740 -12.3740
-12.3403 -12.3403 -12.3290 -12.3290 -12.3174 -12.3174 -9.6042 -9.6042
-8.5197 -8.5197 -8.4220 -8.4220 -2.9995 -2.9995 -2.4953 -2.4953
1.3346 1.3346 3.4461 3.4461 5.2826 5.2826 6.5962 6.5962
6.7623 6.7623 6.9672 6.9672 7.2509 7.2509 8.0686 8.0686
9.9995 9.9995 10.4725 10.4725 10.6791 10.6791 11.0059 11.0059
11.6782 11.6782
k = 0.2159-0.4365-0.2612 ( 5169 PWs) bands (ev):
-26.7577 -26.7577 -13.4089 -13.4089 -13.4009 -13.4009 -13.3887 -13.3887
-13.3716 -13.3716 -12.3900 -12.3900 -12.3844 -12.3844 -12.3734 -12.3734
-12.3408 -12.3408 -12.3293 -12.3293 -12.3173 -12.3173 -9.6062 -9.6062
-8.5213 -8.5213 -8.4259 -8.4259 -2.9562 -2.9562 -2.4693 -2.4693
1.3476 1.3476 3.3587 3.3587 5.1742 5.1742 6.5594 6.5594
6.7078 6.7078 6.9499 6.9499 7.2777 7.2777 7.9679 7.9679
9.9613 9.9613 10.4449 10.4449 10.6458 10.6458 11.0013 11.0013
11.7188 11.7188
k = 0.2273-0.4595-0.2750 ( 5165 PWs) bands (ev):
-26.7572 -26.7572 -13.4087 -13.4087 -13.4011 -13.4011 -13.3883 -13.3883
-13.3718 -13.3718 -12.3898 -12.3898 -12.3843 -12.3843 -12.3728 -12.3728
-12.3414 -12.3414 -12.3295 -12.3295 -12.3171 -12.3171 -9.6083 -9.6083
-8.5232 -8.5232 -8.4296 -8.4296 -2.9110 -2.9110 -2.4424 -2.4424
1.3586 1.3586 3.2702 3.2702 5.0709 5.0709 6.5215 6.5215
6.6551 6.6551 6.9318 6.9318 7.3059 7.3059 7.8677 7.8677
9.9158 9.9158 10.4222 10.4222 10.6123 10.6123 10.9861 10.9861
11.7630 11.7630
k = 0.2386-0.4825-0.2887 ( 5166 PWs) bands (ev):
-26.7567 -26.7567 -13.4085 -13.4085 -13.4012 -13.4012 -13.3880 -13.3880
-13.3719 -13.3719 -12.3896 -12.3896 -12.3842 -12.3842 -12.3722 -12.3722
-12.3420 -12.3420 -12.3297 -12.3297 -12.3170 -12.3170 -9.6104 -9.6104
-8.5252 -8.5252 -8.4331 -8.4331 -2.8642 -2.8642 -2.4147 -2.4147
1.3672 1.3672 3.1812 3.1812 4.9733 4.9733 6.4825 6.4825
6.6049 6.6049 6.9132 6.9132 7.3329 7.3329 7.7703 7.7703
9.8657 9.8657 10.4031 10.4031 10.5795 10.5795 10.9632 10.9632
11.8073 11.8073
k = 0.2500-0.5054-0.3025 ( 5161 PWs) bands (ev):
-26.7562 -26.7562 -13.4083 -13.4083 -13.4013 -13.4013 -13.3876 -13.3876
-13.3720 -13.3720 -12.3894 -12.3894 -12.3841 -12.3841 -12.3716 -12.3716
-12.3427 -12.3427 -12.3298 -12.3298 -12.3168 -12.3168 -9.6125 -9.6125
-8.5275 -8.5275 -8.4363 -8.4363 -2.8158 -2.8158 -2.3862 -2.3862
1.3728 1.3728 3.0923 3.0923 4.8820 4.8820 6.4423 6.4423
6.5575 6.5575 6.8943 6.8943 7.3531 7.3531 7.6806 7.6806
9.8134 9.8134 10.3867 10.3867 10.5484 10.5484 10.9352 10.9352
11.8495 11.8495
k = 0.2614-0.5284-0.3162 ( 5174 PWs) bands (ev):
-26.7557 -26.7557 -13.4081 -13.4081 -13.4014 -13.4014 -13.3873 -13.3873
-13.3722 -13.3722 -12.3892 -12.3892 -12.3839 -12.3839 -12.3710 -12.3710
-12.3434 -12.3434 -12.3299 -12.3299 -12.3167 -12.3167 -9.6147 -9.6147
-8.5300 -8.5300 -8.4393 -8.4393 -2.7659 -2.7659 -2.3571 -2.3571
1.3749 1.3749 3.0040 3.0040 4.7976 4.7976 6.4011 6.4011
6.5131 6.5131 6.8752 6.8752 7.3542 7.3542 7.6108 7.6108
9.7607 9.7607 10.3721 10.3721 10.5198 10.5198 10.9039 10.9039
11.8886 11.8886
k = 0.2727-0.5514-0.3300 ( 5176 PWs) bands (ev):
-26.7552 -26.7552 -13.4079 -13.4079 -13.4015 -13.4015 -13.3869 -13.3869
-13.3723 -13.3723 -12.3890 -12.3890 -12.3838 -12.3838 -12.3704 -12.3704
-12.3441 -12.3441 -12.3300 -12.3300 -12.3166 -12.3166 -9.6169 -9.6169
-8.5327 -8.5327 -8.4419 -8.4419 -2.7148 -2.7148 -2.3275 -2.3275
1.3731 1.3731 2.9171 2.9171 4.7205 4.7205 6.3591 6.3591
6.4719 6.4719 6.8562 6.8562 7.3172 7.3172 7.5794 7.5794
9.7087 9.7087 10.3591 10.3591 10.4942 10.4942 10.8708 10.8708
11.9238 11.9238
k = 0.2841-0.5744-0.3437 ( 5180 PWs) bands (ev):
-26.7548 -26.7548 -13.4077 -13.4077 -13.4015 -13.4015 -13.3866 -13.3866
-13.3725 -13.3725 -12.3888 -12.3888 -12.3836 -12.3836 -12.3698 -12.3698
-12.3448 -12.3448 -12.3300 -12.3300 -12.3165 -12.3165 -9.6191 -9.6191
-8.5356 -8.5356 -8.4442 -8.4442 -2.6625 -2.6625 -2.2975 -2.2975
1.3668 1.3668 2.8319 2.8319 4.6512 4.6512 6.3168 6.3168
6.4334 6.4334 6.8372 6.8372 7.2438 7.2438 7.5850 7.5850
9.6583 9.6583 10.3474 10.3474 10.4721 10.4721 10.8368 10.8368
11.9546 11.9546
k = 0.2955-0.5973-0.3574 ( 5186 PWs) bands (ev):
-26.7543 -26.7543 -13.4075 -13.4075 -13.4016 -13.4016 -13.3863 -13.3863
-13.3726 -13.3726 -12.3886 -12.3886 -12.3835 -12.3835 -12.3693 -12.3693
-12.3456 -12.3456 -12.3300 -12.3300 -12.3164 -12.3164 -9.6213 -9.6213
-8.5386 -8.5386 -8.4463 -8.4463 -2.6093 -2.6093 -2.2673 -2.2673
1.3556 1.3556 2.7493 2.7493 4.5900 4.5900 6.2747 6.2747
6.3975 6.3975 6.8185 6.8185 7.1523 7.1523 7.6089 7.6089
9.6099 9.6099 10.3371 10.3371 10.4539 10.4539 10.8027 10.8027
11.9797 11.9797
k = 0.3068-0.6203-0.3712 ( 5181 PWs) bands (ev):
-26.7538 -26.7538 -13.4074 -13.4074 -13.4017 -13.4017 -13.3860 -13.3860
-13.3728 -13.3728 -12.3883 -12.3883 -12.3833 -12.3833 -12.3688 -12.3688
-12.3464 -12.3464 -12.3299 -12.3299 -12.3164 -12.3164 -9.6235 -9.6235
-8.5417 -8.5417 -8.4480 -8.4480 -2.5553 -2.5553 -2.2371 -2.2371
1.3392 1.3392 2.6696 2.6696 4.5372 4.5372 6.2332 6.2332
6.3638 6.3638 6.7999 6.7999 7.0540 7.0540 7.6401 7.6401
9.5640 9.5640 10.3285 10.3285 10.4396 10.4396 10.7690 10.7690
11.9981 11.9981
k = 0.3182-0.6433-0.3849 ( 5181 PWs) bands (ev):
-26.7534 -26.7534 -13.4072 -13.4072 -13.4017 -13.4017 -13.3857 -13.3857
-13.3729 -13.3729 -12.3881 -12.3881 -12.3832 -12.3832 -12.3683 -12.3683
-12.3472 -12.3472 -12.3299 -12.3299 -12.3163 -12.3163 -9.6257 -9.6257
-8.5449 -8.5449 -8.4495 -8.4495 -2.5008 -2.5008 -2.2069 -2.2069
1.3176 1.3176 2.5933 2.5933 4.4930 4.4930 6.1927 6.1927
6.3321 6.3321 6.7813 6.7813 6.9538 6.9538 7.6739 7.6739
9.5207 9.5207 10.3216 10.3216 10.4293 10.4293 10.7362 10.7362
12.0083 12.0083
k = 0.3295-0.6663-0.3987 ( 5176 PWs) bands (ev):
-26.7529 -26.7529 -13.4070 -13.4070 -13.4017 -13.4017 -13.3854 -13.3854
-13.3731 -13.3731 -12.3878 -12.3878 -12.3830 -12.3830 -12.3678 -12.3678
-12.3480 -12.3480 -12.3297 -12.3297 -12.3163 -12.3163 -9.6278 -9.6278
-8.5481 -8.5481 -8.4508 -8.4508 -2.4461 -2.4461 -2.1770 -2.1770
1.2906 1.2906 2.5210 2.5210 4.4573 4.4573 6.1535 6.1535
6.3022 6.3022 6.7611 6.7611 6.8555 6.8555 7.7084 7.7084
9.4802 9.4802 10.3168 10.3168 10.4230 10.4230 10.7047 10.7047
12.0094 12.0094
k = 0.3409-0.6892-0.4124 ( 5174 PWs) bands (ev):
-26.7525 -26.7525 -13.4069 -13.4069 -13.4018 -13.4018 -13.3852 -13.3852
-13.3732 -13.3732 -12.3876 -12.3876 -12.3828 -12.3828 -12.3673 -12.3673
-12.3487 -12.3487 -12.3296 -12.3296 -12.3163 -12.3163 -9.6298 -9.6298
-8.5514 -8.5514 -8.4518 -8.4518 -2.3914 -2.3914 -2.1476 -2.1476
1.2587 1.2587 2.4528 2.4528 4.4302 4.4302 6.1156 6.1156
6.2738 6.2738 6.7252 6.7252 6.7746 6.7746 7.7424 7.7424
9.4424 9.4424 10.3141 10.3141 10.4206 10.4206 10.6747 10.6747
12.0004 12.0004
k = 0.3523-0.7122-0.4262 ( 5176 PWs) bands (ev):
-26.7521 -26.7521 -13.4067 -13.4067 -13.4018 -13.4018 -13.3849 -13.3849
-13.3734 -13.3734 -12.3873 -12.3873 -12.3827 -12.3827 -12.3669 -12.3669
-12.3495 -12.3495 -12.3295 -12.3295 -12.3163 -12.3163 -9.6318 -9.6318
-8.5546 -8.5546 -8.4527 -8.4527 -2.3371 -2.3371 -2.1188 -2.1188
1.2222 1.2222 2.3890 2.3890 4.4114 4.4114 6.0792 6.0792
6.2470 6.2470 6.6426 6.6426 6.7431 6.7431 7.7753 7.7753
9.4075 9.4075 10.3136 10.3136 10.4221 10.4221 10.6465 10.6465
11.9812 11.9812
k = 0.3636-0.7352-0.4399 ( 5174 PWs) bands (ev):
-26.7517 -26.7517 -13.4066 -13.4066 -13.4018 -13.4018 -13.3847 -13.3847
-13.3735 -13.3735 -12.3871 -12.3871 -12.3825 -12.3825 -12.3664 -12.3664
-12.3503 -12.3503 -12.3293 -12.3293 -12.3163 -12.3163 -9.6337 -9.6337
-8.5576 -8.5576 -8.4534 -8.4534 -2.2835 -2.2835 -2.0909 -2.0909
1.1819 1.1819 2.3297 2.3297 4.4005 4.4005 6.0442 6.0442
6.2216 6.2216 6.5496 6.5496 6.7257 6.7257 7.8066 7.8066
9.3754 9.3754 10.3150 10.3150 10.4272 10.4272 10.6204 10.6204
11.9522 11.9522
k = 0.3750-0.7582-0.4537 ( 5177 PWs) bands (ev):
-26.7514 -26.7514 -13.4064 -13.4064 -13.4018 -13.4018 -13.3845 -13.3845
-13.3737 -13.3737 -12.3868 -12.3868 -12.3824 -12.3824 -12.3660 -12.3660
-12.3511 -12.3511 -12.3291 -12.3291 -12.3163 -12.3163 -9.6355 -9.6355
-8.5606 -8.5606 -8.4540 -8.4540 -2.2311 -2.2311 -2.0641 -2.0641
1.1387 1.1387 2.2749 2.2749 4.3970 4.3970 6.0104 6.0104
6.1973 6.1973 6.4589 6.4589 6.7111 6.7111 7.8359 7.8359
9.3460 9.3460 10.3182 10.3182 10.4355 10.4355 10.5970 10.5970
11.9144 11.9144
k = 0.3864-0.7811-0.4674 ( 5171 PWs) bands (ev):
-26.7510 -26.7510 -13.4063 -13.4063 -13.4018 -13.4018 -13.3843 -13.3843
-13.3738 -13.3738 -12.3866 -12.3866 -12.3823 -12.3823 -12.3657 -12.3657
-12.3518 -12.3518 -12.3290 -12.3290 -12.3163 -12.3163 -9.6372 -9.6372
-8.5634 -8.5634 -8.4544 -8.4544 -2.1804 -2.1804 -2.0385 -2.0385
1.0936 1.0936 2.2247 2.2247 4.4003 4.4003 5.9774 5.9774
6.1737 6.1737 6.3732 6.3732 6.6980 6.6980 7.8631 7.8631
9.3194 9.3194 10.3229 10.3229 10.4464 10.4464 10.5769 10.5769
11.8695 11.8695
k = 0.3977-0.8041-0.4812 ( 5171 PWs) bands (ev):
-26.7507 -26.7507 -13.4062 -13.4062 -13.4018 -13.4018 -13.3841 -13.3841
-13.3739 -13.3739 -12.3863 -12.3863 -12.3821 -12.3821 -12.3653 -12.3653
-12.3525 -12.3525 -12.3288 -12.3288 -12.3164 -12.3164 -9.6388 -9.6388
-8.5660 -8.5660 -8.4548 -8.4548 -2.1318 -2.1318 -2.0144 -2.0144
1.0477 1.0477 2.1791 2.1791 4.4096 4.4096 5.9447 5.9447
6.1497 6.1497 6.2954 6.2954 6.6861 6.6861 7.8880 7.8880
9.2954 9.2954 10.3286 10.3286 10.4581 10.4581 10.5617 10.5617
11.8191 11.8191
k = 0.4091-0.8271-0.4949 ( 5169 PWs) bands (ev):
-26.7504 -26.7504 -13.4061 -13.4061 -13.4018 -13.4018 -13.3839 -13.3839
-13.3740 -13.3740 -12.3861 -12.3861 -12.3820 -12.3820 -12.3649 -12.3649
-12.3532 -12.3532 -12.3286 -12.3286 -12.3164 -12.3164 -9.6402 -9.6402
-8.5684 -8.5684 -8.4550 -8.4550 -2.0860 -2.0860 -1.9921 -1.9921
1.0023 1.0023 2.1381 2.1381 4.4239 4.4239 5.9115 5.9115
6.1229 6.1229 6.2296 6.2296 6.6755 6.6755 7.9104 7.9104
9.2741 9.2741 10.3351 10.3351 10.4672 10.4672 10.5544 10.5544
11.7652 11.7652
k = 0.4205-0.8501-0.5087 ( 5176 PWs) bands (ev):
-26.7502 -26.7502 -13.4060 -13.4060 -13.4019 -13.4019 -13.3837 -13.3837
-13.3741 -13.3741 -12.3859 -12.3859 -12.3819 -12.3819 -12.3646 -12.3646
-12.3538 -12.3538 -12.3284 -12.3284 -12.3164 -12.3164 -9.6415 -9.6415
-8.5706 -8.5706 -8.4552 -8.4552 -2.0435 -2.0435 -1.9715 -1.9715
0.9585 0.9585 2.1016 2.1016 4.4421 4.4421 5.8766 5.8766
6.0902 6.0902 6.1809 6.1809 6.6661 6.6661 7.9302 7.9302
9.2553 9.2553 10.3419 10.3419 10.4698 10.4698 10.5585 10.5585
11.7098 11.7098
k = 0.4318-0.8730-0.5224 ( 5173 PWs) bands (ev):
-26.7500 -26.7500 -13.4059 -13.4059 -13.4019 -13.4019 -13.3836 -13.3836
-13.3742 -13.3742 -12.3857 -12.3857 -12.3819 -12.3819 -12.3643 -12.3643
-12.3544 -12.3544 -12.3282 -12.3282 -12.3165 -12.3165 -9.6427 -9.6427
-8.5725 -8.5725 -8.4554 -8.4554 -2.0053 -2.0053 -1.9530 -1.9530
0.9176 0.9176 2.0697 2.0697 4.4630 4.4630 5.8396 5.8396
6.0529 6.0529 6.1499 6.1499 6.6578 6.6578 7.9473 7.9473
9.2392 9.2392 10.3487 10.3487 10.4658 10.4658 10.5732 10.5732
11.6549 11.6549
k = 0.4432-0.8960-0.5362 ( 5179 PWs) bands (ev):
-26.7498 -26.7498 -13.4058 -13.4058 -13.4019 -13.4019 -13.3835 -13.3835
-13.3743 -13.3743 -12.3855 -12.3855 -12.3818 -12.3818 -12.3640 -12.3640
-12.3549 -12.3549 -12.3281 -12.3281 -12.3165 -12.3165 -9.6436 -9.6436
-8.5742 -8.5742 -8.4555 -8.4555 -1.9720 -1.9720 -1.9363 -1.9363
0.8808 0.8808 2.0425 2.0425 4.4850 4.4850 5.8009 5.8009
6.0181 6.0181 6.1302 6.1302 6.6508 6.6508 7.9619 7.9619
9.2256 9.2256 10.3552 10.3552 10.4587 10.4587 10.5939 10.5939
11.6024 11.6024
k = 0.4545-0.9190-0.5499 ( 5171 PWs) bands (ev):
-26.7496 -26.7496 -13.4058 -13.4058 -13.4019 -13.4019 -13.3834 -13.3834
-13.3744 -13.3744 -12.3853 -12.3853 -12.3818 -12.3818 -12.3637 -12.3637
-12.3554 -12.3554 -12.3280 -12.3280 -12.3166 -12.3166 -9.6445 -9.6445
-8.5756 -8.5756 -8.4556 -8.4556 -1.9452 -1.9452 -1.9210 -1.9210
0.8489 0.8489 2.0201 2.0201 4.5067 4.5067 5.7629 5.7629
5.9902 5.9902 6.1166 6.1166 6.6450 6.6450 7.9737 7.9737
9.2144 9.2144 10.3610 10.3610 10.4512 10.4512 10.6165 10.6165
11.5546 11.5546
k = 0.4659-0.9420-0.5637 ( 5163 PWs) bands (ev):
-26.7495 -26.7495 -13.4057 -13.4057 -13.4019 -13.4019 -13.3833 -13.3833
-13.3744 -13.3744 -12.3852 -12.3852 -12.3818 -12.3818 -12.3635 -12.3635
-12.3558 -12.3558 -12.3279 -12.3279 -12.3166 -12.3166 -9.6451 -9.6451
-8.5766 -8.5766 -8.4556 -8.4556 -1.9264 -1.9264 -1.9061 -1.9061
0.8231 0.8231 2.0026 2.0026 4.5261 4.5261 5.7286 5.7286
5.9697 5.9697 6.1070 6.1070 6.6405 6.6405 7.9829 7.9829
9.2058 9.2058 10.3659 10.3659 10.4447 10.4447 10.6379 10.6379
11.5138 11.5138
k = 0.4773-0.9649-0.5774 ( 5163 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4019 -13.4019 -13.3833 -13.3833
-13.3745 -13.3745 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3278 -12.3278 -12.3166 -12.3166 -9.6456 -9.6456
-8.5774 -8.5774 -8.4557 -8.4557 -1.9151 -1.9151 -1.8928 -1.8928
0.8041 0.8041 1.9900 1.9900 4.5416 4.5416 5.7013 5.7013
5.9559 5.9559 6.1004 6.1004 6.6373 6.6373 7.9895 7.9895
9.1997 9.1997 10.3696 10.3696 10.4398 10.4398 10.6556 10.6556
11.4822 11.4822
k = 0.4886-0.9879-0.5912 ( 5160 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6458 -9.6458
-8.5779 -8.5779 -8.4557 -8.4557 -1.9092 -1.9092 -1.8838 -1.8838
0.7925 0.7925 1.9824 1.9824 4.5517 4.5517 5.6838 5.6838
5.9480 5.9480 6.0966 6.0966 6.6354 6.6354 7.9934 7.9934
9.1960 9.1960 10.3719 10.3719 10.4367 10.4367 10.6673 10.6673
11.4621 11.4621
k = 0.5000-1.0109-0.6049 ( 5166 PWs) bands (ev):
-26.7493 -26.7493 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9073 -1.9073 -1.8807 -1.8807
0.7885 0.7885 1.9798 1.9798 4.5552 4.5552 5.6778 5.6778
5.9454 5.9454 6.0954 6.0954 6.6347 6.6347 7.9947 7.9947
9.1948 9.1948 10.3727 10.3727 10.4357 10.4357 10.6714 10.6714
11.4552 11.4552
k = 0.5000-1.0109-0.6049 ( 5166 PWs) bands (ev):
-26.7493 -26.7493 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9073 -1.9073 -1.8807 -1.8807
0.7885 0.7885 1.9798 1.9798 4.5552 4.5552 5.6778 5.6778
5.9454 5.9454 6.0954 6.0954 6.6347 6.6347 7.9947 7.9947
9.1948 9.1948 10.3727 10.3727 10.4357 10.4357 10.6714 10.6714
11.4552 11.4552
k = 0.5000-0.9959-0.6299 ( 5162 PWs) bands (ev):
-26.7493 -26.7493 -13.4057 -13.4057 -13.4018 -13.4018 -13.3832 -13.3832
-13.3745 -13.3745 -12.3851 -12.3851 -12.3816 -12.3816 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4559 -8.4559 -1.9065 -1.9065 -1.8801 -1.8801
0.7894 0.7894 1.9784 1.9784 4.5548 4.5548 5.6785 5.6785
5.9435 5.9435 6.0941 6.0941 6.6251 6.6251 7.9928 7.9928
9.2100 9.2100 10.3477 10.3477 10.4621 10.4621 10.6735 10.6735
11.4628 11.4628
k = 0.5000-0.9810-0.6549 ( 5158 PWs) bands (ev):
-26.7493 -26.7493 -13.4059 -13.4059 -13.4016 -13.4016 -13.3832 -13.3832
-13.3745 -13.3745 -12.3855 -12.3855 -12.3812 -12.3812 -12.3632 -12.3632
-12.3562 -12.3562 -12.3278 -12.3278 -12.3167 -12.3167 -9.6460 -9.6460
-8.5777 -8.5777 -8.4564 -8.4564 -1.9043 -1.9043 -1.8785 -1.8785
0.7922 0.7922 1.9741 1.9741 4.5539 4.5539 5.6806 5.6806
5.9381 5.9381 6.0899 6.0899 6.5973 6.5973 7.9871 7.9871
9.2549 9.2549 10.3077 10.3077 10.5063 10.5063 10.6798 10.6798
11.4853 11.4853
k = 0.5000-0.9660-0.6799 ( 5156 PWs) bands (ev):
-26.7493 -26.7493 -13.4061 -13.4061 -13.4014 -13.4014 -13.3832 -13.3832
-13.3746 -13.3746 -12.3860 -12.3860 -12.3807 -12.3807 -12.3632 -12.3632
-12.3561 -12.3561 -12.3278 -12.3278 -12.3169 -12.3169 -9.6460 -9.6460
-8.5773 -8.5773 -8.4572 -8.4572 -1.9006 -1.9006 -1.8758 -1.8758
0.7967 0.7967 1.9670 1.9670 4.5523 4.5523 5.6836 5.6836
5.9293 5.9293 6.0819 6.0819 6.5551 6.5551 7.9773 7.9773
9.3268 9.3268 10.2688 10.2688 10.5522 10.5522 10.6904 10.6904
11.5222 11.5222
k = 0.5000-0.9511-0.7049 ( 5162 PWs) bands (ev):
-26.7493 -26.7493 -13.4063 -13.4063 -13.4011 -13.4011 -13.3831 -13.3831
-13.3746 -13.3746 -12.3865 -12.3865 -12.3801 -12.3801 -12.3631 -12.3631
-12.3559 -12.3559 -12.3279 -12.3279 -12.3170 -12.3170 -9.6461 -9.6461
-8.5768 -8.5768 -8.4584 -8.4584 -1.8954 -1.8954 -1.8721 -1.8721
0.8030 0.8030 1.9570 1.9570 4.5502 4.5502 5.6869 5.6869
5.9177 5.9177 6.0685 6.0685 6.5040 6.5040 7.9631 7.9631
9.4222 9.4222 10.2341 10.2341 10.5965 10.5965 10.7059 10.7059
11.5728 11.5728
k = 0.5000-0.9361-0.7299 ( 5164 PWs) bands (ev):
-26.7492 -26.7492 -13.4066 -13.4066 -13.4007 -13.4007 -13.3831 -13.3831
-13.3747 -13.3747 -12.3871 -12.3871 -12.3795 -12.3795 -12.3631 -12.3631
-12.3558 -12.3558 -12.3279 -12.3279 -12.3172 -12.3172 -9.6461 -9.6461
-8.5761 -8.5761 -8.4600 -8.4600 -1.8888 -1.8888 -1.8674 -1.8674
0.8110 0.8110 1.9441 1.9441 4.5477 4.5477 5.6893 5.6893
5.9032 5.9032 6.0477 6.0477 6.4512 6.4512 7.9442 7.9442
9.5373 9.5373 10.2048 10.2048 10.6378 10.6378 10.7266 10.7266
11.6359 11.6359
k = 0.5000-0.9211-0.7549 ( 5170 PWs) bands (ev):
-26.7491 -26.7491 -13.4069 -13.4069 -13.4004 -13.4004 -13.3831 -13.3831
-13.3747 -13.3747 -12.3877 -12.3877 -12.3789 -12.3789 -12.3630 -12.3630
-12.3555 -12.3555 -12.3280 -12.3280 -12.3174 -12.3174 -9.6462 -9.6462
-8.5752 -8.5752 -8.4618 -8.4618 -1.8809 -1.8809 -1.8618 -1.8618
0.8208 0.8208 1.9283 1.9283 4.5448 4.5448 5.6894 5.6894
5.8846 5.8846 6.0188 6.0188 6.4045 6.4045 7.9200 7.9200
9.6680 9.6680 10.1815 10.1815 10.6750 10.6750 10.7531 10.7531
11.7102 11.7102
k = 0.5000-0.9062-0.7799 ( 5176 PWs) bands (ev):
-26.7491 -26.7491 -13.4072 -13.4072 -13.4000 -13.4000 -13.3830 -13.3830
-13.3748 -13.3748 -12.3883 -12.3883 -12.3783 -12.3783 -12.3629 -12.3629
-12.3553 -12.3553 -12.3281 -12.3281 -12.3177 -12.3177 -9.6463 -9.6463
-8.5743 -8.5743 -8.4639 -8.4639 -1.8717 -1.8717 -1.8553 -1.8553
0.8323 0.8323 1.9096 1.9096 4.5418 4.5418 5.6849 5.6849
5.8560 5.8560 5.9877 5.9877 6.3695 6.3695 7.8905 7.8905
9.8106 9.8106 10.1648 10.1648 10.7082 10.7082 10.7847 10.7847
11.7944 11.7944
k = 0.5000-0.8912-0.8049 ( 5168 PWs) bands (ev):
-26.7490 -26.7490 -13.4075 -13.4075 -13.3996 -13.3996 -13.3829 -13.3829
-13.3749 -13.3749 -12.3888 -12.3888 -12.3777 -12.3777 -12.3628 -12.3628
-12.3550 -12.3550 -12.3283 -12.3283 -12.3180 -12.3180 -9.6465 -9.6465
-8.5731 -8.5731 -8.4663 -8.4663 -1.8612 -1.8612 -1.8479 -1.8479
0.8454 0.8454 1.8881 1.8881 4.5387 4.5387 5.6724 5.6724
5.8091 5.8091 5.9676 5.9676 6.3478 6.3478 7.8553 7.8553
9.9605 9.9605 10.1560 10.1560 10.7390 10.7390 10.8195 10.8195
11.8868 11.8868
k = 0.5000-0.8763-0.8299 ( 5172 PWs) bands (ev):
-26.7489 -26.7489 -13.4078 -13.4078 -13.3992 -13.3992 -13.3829 -13.3829
-13.3750 -13.3750 -12.3894 -12.3894 -12.3771 -12.3771 -12.3627 -12.3627
-12.3548 -12.3548 -12.3284 -12.3284 -12.3183 -12.3183 -9.6466 -9.6466
-8.5719 -8.5719 -8.4688 -8.4688 -1.8496 -1.8496 -1.8398 -1.8398
0.8601 0.8601 1.8637 1.8637 4.5359 4.5359 5.6447 5.6447
5.7500 5.7500 5.9644 5.9644 6.3377 6.3377 7.8147 7.8147
10.0972 10.0972 10.1717 10.1717 10.7691 10.7691 10.8552 10.8552
11.9862 11.9862
k = 0.5000-0.8613-0.8549 ( 5170 PWs) bands (ev):
-26.7488 -26.7488 -13.4081 -13.4081 -13.3988 -13.3988 -13.3828 -13.3828
-13.3752 -13.3752 -12.3899 -12.3899 -12.3765 -12.3765 -12.3625 -12.3625
-12.3545 -12.3545 -12.3285 -12.3285 -12.3187 -12.3187 -9.6468 -9.6468
-8.5706 -8.5706 -8.4716 -8.4716 -1.8370 -1.8370 -1.8311 -1.8311
0.8763 0.8763 1.8367 1.8367 4.5336 4.5336 5.5871 5.5871
5.7021 5.7021 5.9743 5.9743 6.3362 6.3362 7.7690 7.7690
10.1318 10.1318 10.2962 10.2962 10.8005 10.8005 10.8898 10.8898
12.0911 12.0911
k = 0.5000-0.8464-0.8799 ( 5168 PWs) bands (ev):
-26.7487 -26.7487 -13.4084 -13.4084 -13.3984 -13.3984 -13.3827 -13.3827
-13.3753 -13.3753 -12.3904 -12.3904 -12.3759 -12.3759 -12.3623 -12.3623
-12.3542 -12.3542 -12.3287 -12.3287 -12.3190 -12.3190 -9.6470 -9.6470
-8.5691 -8.5691 -8.4746 -8.4746 -1.8238 -1.8238 -1.8216 -1.8216
0.8939 0.8939 1.8069 1.8069 4.5319 4.5319 5.5016 5.5016
5.6715 5.6715 5.9934 5.9934 6.3408 6.3408 7.7187 7.7187
10.1380 10.1380 10.4491 10.4491 10.8363 10.8363 10.9221 10.9221
12.1999 12.1999
k = 0.5000-0.8314-0.9048 ( 5176 PWs) bands (ev):
-26.7486 -26.7486 -13.4086 -13.4086 -13.3980 -13.3980 -13.3826 -13.3826
-13.3754 -13.3754 -12.3908 -12.3908 -12.3754 -12.3754 -12.3621 -12.3621
-12.3540 -12.3540 -12.3288 -12.3288 -12.3194 -12.3194 -9.6471 -9.6471
-8.5676 -8.5676 -8.4777 -8.4777 -1.8125 -1.8125 -1.8089 -1.8089
0.9129 0.9129 1.7747 1.7747 4.5311 4.5311 5.4044 5.4044
5.6479 5.6479 6.0192 6.0192 6.3497 6.3497 7.6645 7.6645
10.1449 10.1449 10.5884 10.5884 10.8839 10.8839 10.9528 10.9528
12.3099 12.3099
k = 0.5000-0.8164-0.9298 ( 5172 PWs) bands (ev):
-26.7485 -26.7485 -13.4089 -13.4089 -13.3976 -13.3976 -13.3825 -13.3825
-13.3756 -13.3756 -12.3913 -12.3913 -12.3749 -12.3749 -12.3619 -12.3619
-12.3538 -12.3538 -12.3289 -12.3289 -12.3198 -12.3198 -9.6473 -9.6473
-8.5660 -8.5660 -8.4809 -8.4809 -1.8025 -1.8025 -1.7940 -1.7940
0.9333 0.9333 1.7402 1.7402 4.5315 4.5315 5.3034 5.3034
5.6268 5.6268 6.0502 6.0502 6.3619 6.3619 7.6071 7.6071
10.1539 10.1539 10.6902 10.6902 10.9448 10.9448 10.9972 10.9972
12.4143 12.4143
k = 0.5000-0.8015-0.9548 ( 5172 PWs) bands (ev):
-26.7484 -26.7484 -13.4091 -13.4091 -13.3973 -13.3973 -13.3824 -13.3824
-13.3757 -13.3757 -12.3917 -12.3917 -12.3744 -12.3744 -12.3616 -12.3616
-12.3536 -12.3536 -12.3290 -12.3290 -12.3202 -12.3202 -9.6476 -9.6476
-8.5643 -8.5643 -8.4841 -8.4841 -1.7925 -1.7925 -1.7786 -1.7786
0.9548 0.9548 1.7036 1.7036 4.5333 4.5333 5.2024 5.2024
5.6072 5.6072 6.0853 6.0853 6.3764 6.3764 7.5472 7.5472
10.1648 10.1648 10.7434 10.7434 10.9758 10.9758 11.1045 11.1045
12.4882 12.4882
k = 0.5000-0.7865-0.9798 ( 5176 PWs) bands (ev):
-26.7483 -26.7483 -13.4093 -13.4093 -13.3969 -13.3969 -13.3823 -13.3823
-13.3759 -13.3759 -12.3921 -12.3921 -12.3740 -12.3740 -12.3613 -12.3613
-12.3535 -12.3535 -12.3292 -12.3292 -12.3206 -12.3206 -9.6478 -9.6478
-8.5626 -8.5626 -8.4874 -8.4874 -1.7825 -1.7825 -1.7628 -1.7628
0.9775 0.9775 1.6653 1.6653 4.5366 4.5366 5.1033 5.1033
5.5891 5.5891 6.1239 6.1239 6.3927 6.3927 7.4855 7.4855
10.1774 10.1774 10.7625 10.7625 10.9889 10.9889 11.2431 11.2431
12.5136 12.5136
k = 0.5000-0.7716-1.0048 ( 5178 PWs) bands (ev):
-26.7482 -26.7482 -13.4095 -13.4095 -13.3966 -13.3966 -13.3822 -13.3822
-13.3760 -13.3760 -12.3924 -12.3924 -12.3736 -12.3736 -12.3609 -12.3609
-12.3534 -12.3534 -12.3292 -12.3292 -12.3209 -12.3209 -9.6480 -9.6480
-8.5609 -8.5609 -8.4906 -8.4906 -1.7728 -1.7728 -1.7470 -1.7470
1.0013 1.0013 1.6255 1.6255 4.5417 4.5417 5.0075 5.0075
5.5724 5.5724 6.1653 6.1653 6.4104 6.4104 7.4229 7.4229
10.1915 10.1915 10.7611 10.7611 10.9941 10.9941 11.3853 11.3853
12.5368 12.5368
k = 0.5000-0.7566-1.0298 ( 5168 PWs) bands (ev):
-26.7481 -26.7481 -13.4097 -13.4097 -13.3963 -13.3963 -13.3821 -13.3821
-13.3761 -13.3761 -12.3927 -12.3927 -12.3732 -12.3732 -12.3606 -12.3606
-12.3533 -12.3533 -12.3293 -12.3293 -12.3213 -12.3213 -9.6482 -9.6482
-8.5592 -8.5592 -8.4937 -8.4937 -1.7636 -1.7636 -1.7312 -1.7312
1.0262 1.0262 1.5846 1.5846 4.5486 4.5486 4.9160 4.9160
5.5572 5.5572 6.2089 6.2089 6.4293 6.4293 7.3600 7.3600
10.2069 10.2069 10.7448 10.7448 10.9933 10.9933 11.5208 11.5208
12.5811 12.5811
k = 0.5000-0.7417-1.0548 ( 5160 PWs) bands (ev):
-26.7480 -26.7480 -13.4098 -13.4098 -13.3961 -13.3961 -13.3820 -13.3820
-13.3763 -13.3763 -12.3930 -12.3930 -12.3728 -12.3728 -12.3602 -12.3602
-12.3533 -12.3533 -12.3294 -12.3294 -12.3216 -12.3216 -9.6485 -9.6485
-8.5575 -8.5575 -8.4966 -8.4966 -1.7550 -1.7550 -1.7158 -1.7158
1.0520 1.0520 1.5430 1.5430 4.5574 4.5574 4.8297 4.8297
5.5435 5.5435 6.2542 6.2542 6.4493 6.4493 7.2974 7.2974
10.2234 10.2234 10.7167 10.7167 10.9874 10.9874 11.6451 11.6451
12.6502 12.6502
k = 0.5000-0.7267-1.0798 ( 5164 PWs) bands (ev):
-26.7479 -26.7479 -13.4099 -13.4099 -13.3959 -13.3959 -13.3820 -13.3820
-13.3764 -13.3764 -12.3932 -12.3932 -12.3725 -12.3725 -12.3598 -12.3598
-12.3534 -12.3534 -12.3294 -12.3294 -12.3220 -12.3220 -9.6487 -9.6487
-8.5560 -8.5560 -8.4994 -8.4994 -1.7473 -1.7473 -1.7010 -1.7010
1.0787 1.0787 1.5012 1.5012 4.5681 4.5681 4.7494 4.7494
5.5312 5.5312 6.3000 6.3000 6.4706 6.4706 7.2358 7.2358
10.2409 10.2409 10.6794 10.6794 10.9771 10.9771 11.7572 11.7572
12.7406 12.7406
k = 0.5000-0.7118-1.1048 ( 5160 PWs) bands (ev):
-26.7478 -26.7478 -13.4100 -13.4100 -13.3957 -13.3957 -13.3819 -13.3819
-13.3765 -13.3765 -12.3934 -12.3934 -12.3723 -12.3723 -12.3595 -12.3595
-12.3536 -12.3536 -12.3294 -12.3294 -12.3223 -12.3223 -9.6489 -9.6489
-8.5546 -8.5546 -8.5019 -8.5019 -1.7407 -1.7407 -1.6869 -1.6869
1.1064 1.1064 1.4596 1.4596 4.5798 4.5798 4.6763 4.6763
5.5204 5.5204 6.3450 6.3450 6.4942 6.4942 7.1758 7.1758
10.2593 10.2593 10.6354 10.6354 10.9634 10.9634 11.8582 11.8582
12.8426 12.8426
k = 0.5000-0.6968-1.1298 ( 5164 PWs) bands (ev):
-26.7478 -26.7478 -13.4101 -13.4101 -13.3955 -13.3955 -13.3818 -13.3818
-13.3766 -13.3766 -12.3936 -12.3936 -12.3721 -12.3721 -12.3591 -12.3591
-12.3537 -12.3537 -12.3294 -12.3294 -12.3225 -12.3225 -9.6491 -9.6491
-8.5534 -8.5534 -8.5040 -8.5040 -1.7354 -1.7354 -1.6740 -1.6740
1.1349 1.1349 1.4186 1.4186 4.5843 4.5843 4.6192 4.6192
5.5109 5.5109 6.3868 6.3868 6.5217 6.5217 7.1178 7.1178
10.2786 10.2786 10.5870 10.5870 10.9471 10.9471 11.9499 11.9499
12.9226 12.9226
k = 0.5000-0.6818-1.1548 ( 5166 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3954 -13.3954 -13.3817 -13.3817
-13.3767 -13.3767 -12.3937 -12.3937 -12.3719 -12.3719 -12.3587 -12.3587
-12.3539 -12.3539 -12.3293 -12.3293 -12.3227 -12.3227 -9.6492 -9.6492
-8.5524 -8.5524 -8.5058 -8.5058 -1.7318 -1.7318 -1.6624 -1.6624
1.1644 1.1644 1.3788 1.3788 4.5409 4.5409 4.6192 4.6192
5.5028 5.5028 6.4223 6.4223 6.5556 6.5556 7.0624 7.0624
10.2988 10.2988 10.5367 10.5367 10.9291 10.9291 12.0333 12.0333
12.8864 12.8864
k = 0.5000-0.6669-1.1798 ( 5168 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3953 -13.3953 -13.3817 -13.3817
-13.3768 -13.3768 -12.3938 -12.3938 -12.3718 -12.3718 -12.3584 -12.3584
-12.3541 -12.3541 -12.3293 -12.3293 -12.3229 -12.3229 -9.6493 -9.6493
-8.5516 -8.5516 -8.5071 -8.5071 -1.7301 -1.7301 -1.6524 -1.6524
1.1949 1.1949 1.3407 1.3407 4.4897 4.4897 4.6362 4.6362
5.4960 5.4960 6.4493 6.4493 6.5974 6.5974 7.0101 7.0101
10.3196 10.3196 10.4866 10.4866 10.9103 10.9103 12.1073 12.1073
12.8153 12.8153
k = 0.5000-0.6519-1.2048 ( 5170 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3939 -12.3939 -12.3717 -12.3717 -12.3582 -12.3582
-12.3543 -12.3543 -12.3292 -12.3292 -12.3230 -12.3230 -9.6494 -9.6494
-8.5512 -8.5512 -8.5079 -8.5079 -1.7304 -1.7304 -1.6444 -1.6444
1.2262 1.2262 1.3048 1.3048 4.4452 4.4452 4.6560 4.6560
5.4905 5.4905 6.4679 6.4679 6.6463 6.6463 6.9615 6.9615
10.3405 10.3405 10.4392 10.4392 10.8913 10.8913 12.1684 12.1684
12.7391 12.7391
k = 0.5000-0.6370-1.2298 ( 5174 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3769 -13.3769 -12.3939 -12.3939 -12.3717 -12.3717 -12.3581 -12.3581
-12.3544 -12.3544 -12.3292 -12.3292 -12.3230 -12.3230 -9.6495 -9.6495
-8.5510 -8.5510 -8.5082 -8.5082 -1.7331 -1.7331 -1.6385 -1.6385
1.2562 1.2562 1.2740 1.2740 4.4084 4.4084 4.6774 4.6774
5.4864 5.4864 6.4795 6.4795 6.6997 6.6997 6.9175 6.9175
10.3572 10.3572 10.4001 10.4001 10.8728 10.8728 12.2101 12.2101
12.6612 12.6612
k = 0.5000-0.6220-1.2548 ( 5176 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3939 -12.3939 -12.3717 -12.3717 -12.3581 -12.3581
-12.3543 -12.3543 -12.3292 -12.3292 -12.3230 -12.3230 -9.6494 -9.6494
-8.5511 -8.5511 -8.5080 -8.5080 -1.7383 -1.7383 -1.6351 -1.6351
1.2387 1.2387 1.2949 1.2949 4.3797 4.3797 4.6999 4.6999
5.4839 5.4839 6.4852 6.4852 6.7542 6.7542 6.8802 6.8802
10.3422 10.3422 10.3981 10.3981 10.8555 10.8555 12.2257 12.2257
12.5828 12.5828
k = 0.5000-0.6071-1.2798 ( 5158 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3938 -12.3938 -12.3718 -12.3718 -12.3584 -12.3584
-12.3541 -12.3541 -12.3293 -12.3293 -12.3229 -12.3229 -9.6493 -9.6493
-8.5514 -8.5514 -8.5074 -8.5074 -1.7462 -1.7462 -1.6344 -1.6344
1.2115 1.2115 1.3303 1.3303 4.3592 4.3592 4.7231 4.7231
5.4830 5.4830 6.4859 6.4859 6.7954 6.7954 6.8631 6.8631
10.3101 10.3101 10.4194 10.4194 10.8398 10.8398 12.2133 12.2133
12.5044 12.5044
k = 0.8210-0.5320-1.1399 ( 5158 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3938 -12.3938 -12.3718 -12.3718 -12.3584 -12.3584
-12.3541 -12.3541 -12.3293 -12.3293 -12.3229 -12.3229 -9.6493 -9.6493
-8.5514 -8.5514 -8.5074 -8.5074 -1.7462 -1.7462 -1.6344 -1.6344
1.2115 1.2115 1.3303 1.3303 4.3592 4.3592 4.7231 4.7231
5.4830 5.4830 6.4859 6.4859 6.7954 6.7954 6.8631 6.8631
10.3101 10.3101 10.4194 10.4194 10.8398 10.8398 12.2133 12.2133
12.5044 12.5044
k = 0.8143-0.5185-1.1147 ( 5160 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3953 -13.3953 -13.3817 -13.3817
-13.3767 -13.3767 -12.3938 -12.3938 -12.3719 -12.3719 -12.3587 -12.3587
-12.3538 -12.3538 -12.3293 -12.3293 -12.3228 -12.3228 -9.6492 -9.6492
-8.5518 -8.5518 -8.5065 -8.5065 -1.7571 -1.7571 -1.6366 -1.6366
1.1873 1.1873 1.3681 1.3681 4.3470 4.3470 4.7467 4.7467
5.4843 5.4843 6.4815 6.4815 6.7889 6.7889 6.9003 6.9003
10.2817 10.2817 10.4441 10.4441 10.8262 10.8262 12.1777 12.1777
12.4259 12.4259
k = 0.8076-0.5050-1.0895 ( 5162 PWs) bands (ev):
-26.7478 -26.7478 -13.4102 -13.4102 -13.3954 -13.3954 -13.3818 -13.3818
-13.3767 -13.3767 -12.3937 -12.3937 -12.3721 -12.3721 -12.3592 -12.3592
-12.3534 -12.3534 -12.3294 -12.3294 -12.3226 -12.3226 -9.6489 -9.6489
-8.5523 -8.5523 -8.5051 -8.5051 -1.7710 -1.7710 -1.6419 -1.6419
1.1667 1.1667 1.4080 1.4080 4.3431 4.3431 4.7700 4.7700
5.4879 5.4879 6.4722 6.4722 6.7662 6.7662 6.9602 6.9602
10.2598 10.2598 10.4700 10.4700 10.8151 10.8151 12.1267 12.1267
12.3480 12.3480
k = 0.8009-0.4915-1.0643 ( 5162 PWs) bands (ev):
-26.7479 -26.7479 -13.4101 -13.4101 -13.3956 -13.3956 -13.3819 -13.3819
-13.3765 -13.3765 -12.3935 -12.3935 -12.3723 -12.3723 -12.3597 -12.3597
-12.3530 -12.3530 -12.3296 -12.3296 -12.3223 -12.3223 -9.6486 -9.6486
-8.5528 -8.5528 -8.5036 -8.5036 -1.7881 -1.7881 -1.6505 -1.6505
1.1501 1.1501 1.4502 1.4502 4.3476 4.3476 4.7927 4.7927
5.4944 5.4944 6.4581 6.4581 6.7451 6.7451 7.0244 7.0244
10.2453 10.2453 10.4963 10.4963 10.8070 10.8070 12.0672 12.0672
12.2712 12.2712
k = 0.7942-0.4779-1.0390 ( 5164 PWs) bands (ev):
-26.7480 -26.7480 -13.4100 -13.4100 -13.3958 -13.3958 -13.3820 -13.3820
-13.3764 -13.3764 -12.3934 -12.3934 -12.3726 -12.3726 -12.3602 -12.3602
-12.3525 -12.3525 -12.3297 -12.3297 -12.3220 -12.3220 -9.6482 -9.6482
-8.5532 -8.5532 -8.5018 -8.5018 -1.8082 -1.8082 -1.6625 -1.6625
1.1375 1.1375 1.4950 1.4950 4.3602 4.3602 4.8142 4.8142
5.5041 5.5041 6.4392 6.4392 6.7284 6.7284 7.0902 7.0902
10.2385 10.2385 10.5227 10.5227 10.8022 10.8022 12.0036 12.0036
12.1957 12.1957
k = 0.7875-0.4644-1.0138 ( 5172 PWs) bands (ev):
-26.7481 -26.7481 -13.4099 -13.4099 -13.3960 -13.3960 -13.3821 -13.3821
-13.3763 -13.3763 -12.3932 -12.3932 -12.3730 -12.3730 -12.3608 -12.3608
-12.3520 -12.3520 -12.3299 -12.3299 -12.3217 -12.3217 -9.6477 -9.6477
-8.5535 -8.5535 -8.4999 -8.4999 -1.8315 -1.8315 -1.6779 -1.6779
1.1289 1.1289 1.5425 1.5425 4.3807 4.3807 4.8342 4.8342
5.5176 5.5176 6.4156 6.4156 6.7166 6.7166 7.1567 7.1567
10.2397 10.2397 10.5487 10.5487 10.8011 10.8011 11.9388 11.9388
12.1218 12.1218
k = 0.7808-0.4509-0.9886 ( 5160 PWs) bands (ev):
-26.7483 -26.7483 -13.4098 -13.4098 -13.3962 -13.3962 -13.3822 -13.3822
-13.3761 -13.3761 -12.3930 -12.3930 -12.3734 -12.3734 -12.3613 -12.3613
-12.3515 -12.3515 -12.3301 -12.3301 -12.3213 -12.3213 -9.6470 -9.6470
-8.5537 -8.5537 -8.4979 -8.4979 -1.8577 -1.8577 -1.6967 -1.6967
1.1243 1.1243 1.5930 1.5930 4.4088 4.4088 4.8523 4.8523
5.5352 5.5352 6.3875 6.3875 6.7100 6.7100 7.2236 7.2236
10.2486 10.2486 10.5739 10.5739 10.8038 10.8038 11.8746 11.8746
12.0499 12.0499
k = 0.7742-0.4374-0.9634 ( 5162 PWs) bands (ev):
-26.7485 -26.7485 -13.4097 -13.4097 -13.3965 -13.3965 -13.3824 -13.3824
-13.3759 -13.3759 -12.3928 -12.3928 -12.3738 -12.3738 -12.3618 -12.3618
-12.3510 -12.3510 -12.3303 -12.3303 -12.3209 -12.3209 -9.6463 -9.6463
-8.5537 -8.5537 -8.4957 -8.4957 -1.8868 -1.8868 -1.7189 -1.7189
1.1234 1.1234 1.6466 1.6466 4.4442 4.4442 4.8685 4.8685
5.5573 5.5573 6.3552 6.3552 6.7085 6.7085 7.2904 7.2904
10.2652 10.2652 10.5979 10.5979 10.8106 10.8106 11.8122 11.8122
11.9802 11.9802
k = 0.7675-0.4239-0.9382 ( 5162 PWs) bands (ev):
-26.7487 -26.7487 -13.4096 -13.4096 -13.3968 -13.3968 -13.3826 -13.3826
-13.3757 -13.3757 -12.3925 -12.3925 -12.3743 -12.3743 -12.3624 -12.3624
-12.3504 -12.3504 -12.3305 -12.3305 -12.3206 -12.3206 -9.6454 -9.6454
-8.5535 -8.5535 -8.4935 -8.4935 -1.9186 -1.9186 -1.7443 -1.7443
1.1262 1.1262 1.7034 1.7034 4.4866 4.4866 4.8828 4.8828
5.5838 5.5838 6.3190 6.3190 6.7122 6.7122 7.3569 7.3569
10.2891 10.2891 10.6202 10.6202 10.8212 10.8212 11.7528 11.7528
11.9133 11.9133
k = 0.7608-0.4103-0.9130 ( 5160 PWs) bands (ev):
-26.7489 -26.7489 -13.4094 -13.4094 -13.3971 -13.3971 -13.3827 -13.3827
-13.3755 -13.3755 -12.3923 -12.3923 -12.3749 -12.3749 -12.3629 -12.3629
-12.3499 -12.3499 -12.3307 -12.3307 -12.3202 -12.3202 -9.6444 -9.6444
-8.5531 -8.5531 -8.4913 -8.4913 -1.9529 -1.9529 -1.7728 -1.7728
1.1324 1.1324 1.7636 1.7636 4.5356 4.5356 4.8956 4.8956
5.6148 5.6148 6.2793 6.2793 6.7210 6.7210 7.4229 7.4229
10.3196 10.3196 10.6408 10.6408 10.8351 10.8351 11.6969 11.6969
11.8496 11.8496
k = 0.7541-0.3968-0.8878 ( 5168 PWs) bands (ev):
-26.7492 -26.7492 -13.4093 -13.4093 -13.3974 -13.3974 -13.3829 -13.3829
-13.3753 -13.3753 -12.3920 -12.3920 -12.3754 -12.3754 -12.3634 -12.3634
-12.3493 -12.3493 -12.3310 -12.3310 -12.3198 -12.3198 -9.6433 -9.6433
-8.5526 -8.5526 -8.4890 -8.4890 -1.9895 -1.9895 -1.8043 -1.8043
1.1416 1.1416 1.8271 1.8271 4.5908 4.5908 4.9074 4.9074
5.6501 5.6501 6.2368 6.2368 6.7347 6.7347 7.4880 7.4880
10.3562 10.3562 10.6597 10.6597 10.8514 10.8514 11.6453 11.6453
11.7899 11.7899
k = 0.7474-0.3833-0.8626 ( 5156 PWs) bands (ev):
-26.7495 -26.7495 -13.4092 -13.4092 -13.3977 -13.3977 -13.3831 -13.3831
-13.3751 -13.3751 -12.3918 -12.3918 -12.3760 -12.3760 -12.3639 -12.3639
-12.3488 -12.3488 -12.3312 -12.3312 -12.3195 -12.3195 -9.6421 -9.6421
-8.5518 -8.5518 -8.4866 -8.4866 -2.0281 -2.0281 -1.8386 -1.8386
1.1535 1.1535 1.8940 1.8940 4.6516 4.6516 4.9188 4.9188
5.6893 5.6893 6.1919 6.1919 6.7532 6.7532 7.5520 7.5520
10.3980 10.3980 10.6770 10.6770 10.8690 10.8690 11.5986 11.5986
11.7350 11.7350
k = 0.7407-0.3698-0.8374 ( 5154 PWs) bands (ev):
-26.7498 -26.7498 -13.4090 -13.4090 -13.3980 -13.3980 -13.3833 -13.3833
-13.3749 -13.3749 -12.3915 -12.3915 -12.3766 -12.3766 -12.3643 -12.3643
-12.3483 -12.3483 -12.3313 -12.3313 -12.3191 -12.3191 -9.6407 -9.6407
-8.5507 -8.5507 -8.4842 -8.4842 -2.0684 -2.0684 -1.8753 -1.8753
1.1678 1.1678 1.9641 1.9641 4.7175 4.7175 4.9306 4.9306
5.7321 5.7321 6.1454 6.1454 6.7763 6.7763 7.6147 7.6147
10.4438 10.4438 10.6929 10.6929 10.8863 10.8863 11.5574 11.5574
11.6858 11.6858
k = 0.7340-0.3563-0.8122 ( 5150 PWs) bands (ev):
-26.7501 -26.7501 -13.4089 -13.4089 -13.3983 -13.3983 -13.3836 -13.3836
-13.3747 -13.3747 -12.3913 -12.3913 -12.3773 -12.3773 -12.3648 -12.3648
-12.3478 -12.3478 -12.3315 -12.3315 -12.3188 -12.3188 -9.6393 -9.6393
-8.5495 -8.5495 -8.4818 -8.4818 -2.1103 -2.1103 -1.9142 -1.9142
1.1841 1.1841 2.0375 2.0375 4.7874 4.7874 4.9444 4.9444
5.7777 5.7777 6.0980 6.0980 6.8038 6.8038 7.6758 7.6758
10.4924 10.4924 10.7072 10.7072 10.9018 10.9018 11.5225 11.5225
11.6433 11.6433
k = 0.7273-0.3427-0.7870 ( 5154 PWs) bands (ev):
-26.7505 -26.7505 -13.4088 -13.4088 -13.3986 -13.3986 -13.3838 -13.3838
-13.3745 -13.3745 -12.3910 -12.3910 -12.3779 -12.3779 -12.3653 -12.3653
-12.3472 -12.3472 -12.3317 -12.3317 -12.3185 -12.3185 -9.6377 -9.6377
-8.5482 -8.5482 -8.4794 -8.4794 -2.1533 -2.1533 -1.9551 -1.9551
1.2019 1.2019 2.1138 2.1138 4.8587 4.8587 4.9628 4.9628
5.8250 5.8250 6.0511 6.0511 6.8355 6.8355 7.7351 7.7351
10.5420 10.5420 10.7199 10.7199 10.9142 10.9142 11.4946 11.4946
11.6086 11.6086
k = 0.7207-0.3292-0.7618 ( 5148 PWs) bands (ev):
-26.7508 -26.7508 -13.4087 -13.4087 -13.3989 -13.3989 -13.3840 -13.3840
-13.3743 -13.3743 -12.3908 -12.3908 -12.3785 -12.3785 -12.3657 -12.3657
-12.3467 -12.3467 -12.3318 -12.3318 -12.3182 -12.3182 -9.6360 -9.6360
-8.5466 -8.5466 -8.4768 -8.4768 -2.1973 -2.1973 -1.9977 -1.9977
1.2210 1.2210 2.1930 2.1930 4.9220 4.9220 4.9955 4.9955
5.8707 5.8707 6.0085 6.0085 6.8712 6.8712 7.7924 7.7924
10.5907 10.5907 10.7302 10.7302 10.9227 10.9227 11.4747 11.4747
11.5827 11.5827
k = 0.7140-0.3157-0.7366 ( 5152 PWs) bands (ev):
-26.7512 -26.7512 -13.4086 -13.4086 -13.3992 -13.3992 -13.3843 -13.3843
-13.3741 -13.3741 -12.3906 -12.3906 -12.3791 -12.3791 -12.3662 -12.3662
-12.3462 -12.3462 -12.3319 -12.3319 -12.3180 -12.3180 -9.6343 -9.6343
-8.5449 -8.5449 -8.4743 -8.4743 -2.2420 -2.2420 -2.0418 -2.0418
1.2408 1.2408 2.2747 2.2747 4.9621 4.9621 5.0580 5.0580
5.8979 5.8979 5.9871 5.9871 6.9106 6.9106 7.8476 7.8476
10.6354 10.6354 10.7377 10.7377 10.9270 10.9270 11.4637 11.4637
11.5658 11.5658
k = 0.7073-0.3022-0.7114 ( 5150 PWs) bands (ev):
-26.7516 -26.7516 -13.4085 -13.4085 -13.3995 -13.3995 -13.3846 -13.3846
-13.3739 -13.3739 -12.3904 -12.3904 -12.3797 -12.3797 -12.3667 -12.3667
-12.3457 -12.3457 -12.3319 -12.3319 -12.3178 -12.3178 -9.6324 -9.6324
-8.5431 -8.5431 -8.4716 -8.4716 -2.2872 -2.2872 -2.0869 -2.0869
1.2610 1.2610 2.3588 2.3588 4.9895 4.9895 5.1397 5.1397
5.8780 5.8780 6.0163 6.0163 6.9537 6.9537 7.9004 7.9004
10.6719 10.6719 10.7429 10.7429 10.9279 10.9279 11.4626 11.4626
11.5577 11.5577
k = 0.7006-0.2887-0.6862 ( 5148 PWs) bands (ev):
-26.7521 -26.7521 -13.4084 -13.4084 -13.3998 -13.3998 -13.3848 -13.3848
-13.3737 -13.3737 -12.3902 -12.3902 -12.3802 -12.3802 -12.3671 -12.3671
-12.3452 -12.3452 -12.3320 -12.3320 -12.3176 -12.3176 -9.6304 -9.6304
-8.5412 -8.5412 -8.4688 -8.4688 -2.3326 -2.3326 -2.1330 -2.1330
1.2813 1.2813 2.4447 2.4447 5.0161 5.0161 5.2286 5.2286
5.8390 5.8390 6.0684 6.0684 7.0000 7.0000 7.9510 7.9510
10.6925 10.6925 10.7492 10.7492 10.9269 10.9269 11.4716 11.4716
11.5575 11.5575
k = 0.6939-0.2752-0.6610 ( 5156 PWs) bands (ev):
-26.7525 -26.7525 -13.4083 -13.4083 -13.4000 -13.4000 -13.3851 -13.3851
-13.3735 -13.3735 -12.3901 -12.3901 -12.3808 -12.3808 -12.3676 -12.3676
-12.3447 -12.3447 -12.3320 -12.3320 -12.3174 -12.3174 -9.6284 -9.6284
-8.5392 -8.5392 -8.4660 -8.4660 -2.3780 -2.3780 -2.1797 -2.1797
1.3013 1.3013 2.5322 2.5322 5.0452 5.0452 5.3210 5.3210
5.7987 5.7987 6.1268 6.1268 7.0494 7.0494 7.9991 7.9991
10.6917 10.6917 10.7587 10.7587 10.9255 10.9255 11.4895 11.4895
11.5639 11.5639
k = 0.6872-0.2616-0.6358 ( 5154 PWs) bands (ev):
-26.7530 -26.7530 -13.4083 -13.4083 -13.4003 -13.4003 -13.3854 -13.3854
-13.3733 -13.3733 -12.3900 -12.3900 -12.3813 -12.3813 -12.3681 -12.3681
-12.3442 -12.3442 -12.3319 -12.3319 -12.3173 -12.3173 -9.6264 -9.6264
-8.5371 -8.5371 -8.4630 -8.4630 -2.4232 -2.4232 -2.2267 -2.2267
1.3208 1.3208 2.6207 2.6207 5.0780 5.0780 5.4143 5.4143
5.7620 5.7620 6.1880 6.1880 7.1016 7.1016 8.0449 8.0449
10.6754 10.6754 10.7637 10.7637 10.9244 10.9244 11.5128 11.5128
11.5755 11.5755
k = 0.6805-0.2481-0.6106 ( 5156 PWs) bands (ev):
-26.7535 -26.7535 -13.4083 -13.4083 -13.4005 -13.4005 -13.3857 -13.3857
-13.3731 -13.3731 -12.3899 -12.3899 -12.3817 -12.3817 -12.3686 -12.3686
-12.3438 -12.3438 -12.3318 -12.3318 -12.3172 -12.3172 -9.6242 -9.6242
-8.5350 -8.5350 -8.4599 -8.4599 -2.4681 -2.4681 -2.2740 -2.2740
1.3394 1.3394 2.7097 2.7097 5.1150 5.1150 5.5039 5.5039
5.7344 5.7344 6.2512 6.2512 7.1564 7.1564 8.0885 8.0885
10.6497 10.6497 10.7584 10.7584 10.9232 10.9232 11.5343 11.5343
11.5897 11.5897
k = 0.6739-0.2346-0.5854 ( 5154 PWs) bands (ev):
-26.7540 -26.7540 -13.4083 -13.4083 -13.4006 -13.4006 -13.3861 -13.3861
-13.3729 -13.3729 -12.3898 -12.3898 -12.3822 -12.3822 -12.3692 -12.3692
-12.3433 -12.3433 -12.3317 -12.3317 -12.3171 -12.3171 -9.6221 -9.6221
-8.5330 -8.5330 -8.4566 -8.4566 -2.5123 -2.5123 -2.3211 -2.3211
1.3571 1.3571 2.7986 2.7986 5.1567 5.1567 5.5745 5.5745
5.7316 5.7316 6.3160 6.3160 7.2134 7.2134 8.1301 8.1301
10.6176 10.6176 10.7418 10.7418 10.9202 10.9202 11.5447 11.5447
11.6032 11.6032
k = 0.6672-0.2211-0.5602 ( 5160 PWs) bands (ev):
-26.7545 -26.7545 -13.4083 -13.4083 -13.4007 -13.4007 -13.3864 -13.3864
-13.3727 -13.3727 -12.3898 -12.3898 -12.3826 -12.3826 -12.3697 -12.3697
-12.3428 -12.3428 -12.3316 -12.3316 -12.3171 -12.3171 -9.6199 -9.6199
-8.5309 -8.5309 -8.4532 -8.4532 -2.5559 -2.5559 -2.3679 -2.3679
1.3735 1.3735 2.8868 2.8868 5.2033 5.2033 5.5983 5.5983
5.7817 5.7817 6.3820 6.3820 7.2725 7.2725 8.1700 8.1700
10.5809 10.5809 10.7148 10.7148 10.9131 10.9131 11.5377 11.5377
11.6169 11.6169
k = 0.6605-0.2076-0.5350 ( 5166 PWs) bands (ev):
-26.7550 -26.7550 -13.4084 -13.4084 -13.4008 -13.4008 -13.3867 -13.3867
-13.3725 -13.3725 -12.3898 -12.3898 -12.3829 -12.3829 -12.3702 -12.3702
-12.3424 -12.3424 -12.3314 -12.3314 -12.3171 -12.3171 -9.6177 -9.6177
-8.5290 -8.5290 -8.4496 -8.4496 -2.5986 -2.5986 -2.4143 -2.4143
1.3886 1.3886 2.9735 2.9735 5.2549 5.2549 5.5918 5.5918
5.8686 5.8686 6.4491 6.4491 7.3332 7.3332 8.2085 8.2085
10.5406 10.5406 10.6787 10.6787 10.9005 10.9005 11.5187 11.5187
11.6332 11.6332
k = 0.6538-0.1940-0.5098 ( 5166 PWs) bands (ev):
-26.7555 -26.7555 -13.4084 -13.4084 -13.4009 -13.4009 -13.3871 -13.3871
-13.3724 -13.3724 -12.3898 -12.3898 -12.3832 -12.3832 -12.3708 -12.3708
-12.3420 -12.3420 -12.3311 -12.3311 -12.3171 -12.3171 -9.6155 -9.6155
-8.5271 -8.5271 -8.4459 -8.4459 -2.6404 -2.6404 -2.4600 -2.4600
1.4022 1.4022 3.0579 3.0579 5.3115 5.3115 5.5811 5.5811
5.9666 5.9666 6.5171 6.5171 7.3953 7.3953 8.2460 8.2460
10.4970 10.4970 10.6354 10.6354 10.8812 10.8812 11.4952 11.4952
11.6512 11.6512
k = 0.6471-0.1805-0.4845 ( 5172 PWs) bands (ev):
-26.7560 -26.7560 -13.4085 -13.4085 -13.4009 -13.4009 -13.3874 -13.3874
-13.3722 -13.3722 -12.3899 -12.3899 -12.3835 -12.3835 -12.3714 -12.3714
-12.3415 -12.3415 -12.3309 -12.3309 -12.3171 -12.3171 -9.6133 -9.6133
-8.5253 -8.5253 -8.4419 -8.4419 -2.6810 -2.6810 -2.5049 -2.5049
1.4144 1.4144 3.1390 3.1390 5.3732 5.3732 5.5744 5.5744
6.0678 6.0678 6.5857 6.5857 7.4586 7.4586 8.2830 8.2830
10.4502 10.4502 10.5866 10.5866 10.8549 10.8549 11.4706 11.4706
11.6700 11.6700
k = 0.6404-0.1670-0.4593 ( 5176 PWs) bands (ev):
-26.7565 -26.7565 -13.4087 -13.4087 -13.4009 -13.4009 -13.3878 -13.3878
-13.3720 -13.3720 -12.3899 -12.3899 -12.3837 -12.3837 -12.3720 -12.3720
-12.3411 -12.3411 -12.3306 -12.3306 -12.3172 -12.3172 -9.6111 -9.6111
-8.5236 -8.5236 -8.4379 -8.4379 -2.7204 -2.7204 -2.5487 -2.5487
1.4250 1.4250 3.2160 3.2160 5.4398 5.4398 5.5749 5.5749
6.1693 6.1693 6.6548 6.6548 7.5226 7.5226 8.3200 8.3200
10.3994 10.3994 10.5344 10.5344 10.8217 10.8217 11.4455 11.4455
11.6891 11.6891
k = 0.6337-0.1535-0.4341 ( 5164 PWs) bands (ev):
-26.7570 -26.7570 -13.4088 -13.4088 -13.4009 -13.4009 -13.3882 -13.3882
-13.3719 -13.3719 -12.3900 -12.3900 -12.3839 -12.3839 -12.3726 -12.3726
-12.3407 -12.3407 -12.3303 -12.3303 -12.3173 -12.3173 -9.6090 -9.6090
-8.5220 -8.5220 -8.4336 -8.4336 -2.7585 -2.7585 -2.5914 -2.5914
1.4342 1.4342 3.2880 3.2880 5.5110 5.5110 5.5845 5.5845
6.2696 6.2696 6.7242 6.7242 7.5872 7.5872 8.3575 8.3575
10.3441 10.3441 10.4804 10.4804 10.7826 10.7826 11.4197 11.4197
11.7082 11.7082
k = 0.6270-0.1400-0.4089 ( 5158 PWs) bands (ev):
-26.7575 -26.7575 -13.4089 -13.4089 -13.4008 -13.4008 -13.3885 -13.3885
-13.3717 -13.3717 -12.3901 -12.3901 -12.3841 -12.3841 -12.3732 -12.3732
-12.3403 -12.3403 -12.3299 -12.3299 -12.3174 -12.3174 -9.6069 -9.6069
-8.5206 -8.5206 -8.4293 -8.4293 -2.7952 -2.7952 -2.6329 -2.6329
1.4419 1.4419 3.3541 3.3541 5.5840 5.5840 5.6068 5.6068
6.3678 6.3678 6.7936 6.7936 7.6520 7.6520 8.3959 8.3959
10.2837 10.2837 10.4260 10.4260 10.7388 10.7388 11.3930 11.3930
11.7267 11.7267
k = 0.6204-0.1264-0.3837 ( 5156 PWs) bands (ev):
-26.7580 -26.7580 -13.4091 -13.4091 -13.4007 -13.4007 -13.3889 -13.3889
-13.3716 -13.3716 -12.3902 -12.3902 -12.3842 -12.3842 -12.3739 -12.3739
-12.3399 -12.3399 -12.3296 -12.3296 -12.3175 -12.3175 -9.6049 -9.6049
-8.5193 -8.5193 -8.4249 -8.4249 -2.8304 -2.8304 -2.6729 -2.6729
1.4483 1.4483 3.4137 3.4137 5.6299 5.6299 5.6715 5.6715
6.4628 6.4628 6.8627 6.8627 7.7166 7.7166 8.4355 8.4355
10.2184 10.2184 10.3714 10.3714 10.6921 10.6921 11.3651 11.3651
11.7442 11.7442
k = 0.6137-0.1129-0.3585 ( 5160 PWs) bands (ev):
-26.7584 -26.7584 -13.4093 -13.4093 -13.4006 -13.4006 -13.3893 -13.3893
-13.3714 -13.3714 -12.3903 -12.3903 -12.3843 -12.3843 -12.3745 -12.3745
-12.3395 -12.3395 -12.3292 -12.3292 -12.3176 -12.3176 -9.6029 -9.6029
-8.5181 -8.5181 -8.4204 -8.4204 -2.8640 -2.8640 -2.7114 -2.7114
1.4534 1.4534 3.4662 3.4662 5.6720 5.6720 5.7554 5.7554
6.5537 6.5537 6.9314 6.9314 7.7808 7.7808 8.4763 8.4763
10.1492 10.1492 10.3156 10.3156 10.6448 10.6448 11.3360 11.3360
11.7604 11.7604
k = 0.6070-0.0994-0.3333 ( 5162 PWs) bands (ev):
-26.7589 -26.7589 -13.4094 -13.4094 -13.4004 -13.4004 -13.3897 -13.3897
-13.3713 -13.3713 -12.3904 -12.3904 -12.3844 -12.3844 -12.3751 -12.3751
-12.3392 -12.3392 -12.3288 -12.3288 -12.3178 -12.3178 -9.6010 -9.6010
-8.5171 -8.5171 -8.4158 -8.4158 -2.8960 -2.8960 -2.7482 -2.7482
1.4573 1.4573 3.5114 3.5114 5.7249 5.7249 5.8441 5.8441
6.6397 6.6397 6.9991 6.9991 7.8443 7.8443 8.5181 8.5181
10.0775 10.0775 10.2575 10.2575 10.5990 10.5990 11.3062 11.3062
11.7747 11.7747
k = 0.6003-0.0859-0.3081 ( 5166 PWs) bands (ev):
-26.7594 -26.7594 -13.4096 -13.4096 -13.4003 -13.4003 -13.3901 -13.3901
-13.3712 -13.3712 -12.3905 -12.3905 -12.3845 -12.3845 -12.3758 -12.3758
-12.3389 -12.3389 -12.3284 -12.3284 -12.3180 -12.3180 -9.5993 -9.5993
-8.5162 -8.5162 -8.4113 -8.4113 -2.9263 -2.9263 -2.7833 -2.7833
1.4601 1.4601 3.5494 3.5494 5.7892 5.7892 5.9363 5.9363
6.7202 6.7202 7.0656 7.0656 7.9066 7.9066 8.5598 8.5598
10.0053 10.0053 10.1960 10.1960 10.5571 10.5571 11.2758 11.2758
11.7866 11.7866
k = 0.5936-0.0724-0.2829 ( 5174 PWs) bands (ev):
-26.7598 -26.7598 -13.4098 -13.4098 -13.4001 -13.4001 -13.3905 -13.3905
-13.3711 -13.3711 -12.3906 -12.3906 -12.3845 -12.3845 -12.3764 -12.3764
-12.3385 -12.3385 -12.3280 -12.3280 -12.3181 -12.3181 -9.5975 -9.5975
-8.5153 -8.5153 -8.4069 -8.4069 -2.9548 -2.9548 -2.8166 -2.8166
1.4620 1.4620 3.5804 3.5804 5.8645 5.8645 6.0317 6.0317
6.7945 6.7945 7.1303 7.1303 7.9674 7.9674 8.5998 8.5998
9.9345 9.9345 10.1309 10.1309 10.5207 10.5207 11.2453 11.2453
11.7952 11.7952
k = 0.5869-0.0589-0.2577 ( 5176 PWs) bands (ev):
-26.7602 -26.7602 -13.4099 -13.4099 -13.3999 -13.3999 -13.3909 -13.3909
-13.3709 -13.3709 -12.3907 -12.3907 -12.3846 -12.3846 -12.3770 -12.3770
-12.3382 -12.3382 -12.3276 -12.3276 -12.3183 -12.3183 -9.5959 -9.5959
-8.5146 -8.5146 -8.4025 -8.4025 -2.9816 -2.9816 -2.8479 -2.8479
1.4632 1.4632 3.6050 3.6050 5.9503 5.9503 6.1297 6.1297
6.8624 6.8624 7.1930 7.1930 8.0262 8.0262 8.6352 8.6352
9.8673 9.8673 10.0638 10.0638 10.4907 10.4907 11.2152 11.2152
11.7989 11.7989
k = 0.5802-0.0453-0.2325 ( 5178 PWs) bands (ev):
-26.7606 -26.7606 -13.4101 -13.4101 -13.3997 -13.3997 -13.3913 -13.3913
-13.3708 -13.3708 -12.3907 -12.3907 -12.3846 -12.3846 -12.3776 -12.3776
-12.3380 -12.3380 -12.3272 -12.3272 -12.3185 -12.3185 -9.5944 -9.5944
-8.5140 -8.5140 -8.3982 -8.3982 -3.0065 -3.0065 -2.8773 -2.8773
1.4636 1.4636 3.6239 3.6239 6.0458 6.0458 6.2296 6.2296
6.9237 6.9237 7.2530 7.2530 8.0826 8.0826 8.6619 8.6619
9.8052 9.8052 9.9982 9.9982 10.4675 10.4675 11.1856 11.1856
11.7943 11.7943
k = 0.5736-0.0318-0.2073 ( 5180 PWs) bands (ev):
-26.7610 -26.7610 -13.4102 -13.4102 -13.3995 -13.3995 -13.3917 -13.3917
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3782 -12.3782
-12.3377 -12.3377 -12.3268 -12.3268 -12.3187 -12.3187 -9.5930 -9.5930
-8.5134 -8.5134 -8.3941 -8.3941 -3.0296 -3.0296 -2.9045 -2.9045
1.4635 1.4635 3.6378 3.6378 6.1499 6.1499 6.3308 6.3308
6.9785 6.9785 7.3098 7.3098 8.1358 8.1358 8.6750 8.6750
9.7475 9.7475 9.9411 9.9411 10.4509 10.4509 11.1569 11.1569
11.7747 11.7747
k = 0.5669-0.0183-0.1821 ( 5180 PWs) bands (ev):
-26.7613 -26.7613 -13.4104 -13.4104 -13.3992 -13.3992 -13.3921 -13.3921
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3787 -12.3787
-12.3375 -12.3375 -12.3264 -12.3264 -12.3189 -12.3189 -9.5917 -9.5917
-8.5130 -8.5130 -8.3902 -8.3902 -3.0508 -3.0508 -2.9296 -2.9296
1.4630 1.4630 3.6477 3.6477 6.2617 6.2617 6.4325 6.4325
7.0271 7.0271 7.3631 7.3631 8.1851 8.1851 8.6695 8.6695
9.6894 9.6894 9.9036 9.9036 10.4410 10.4410 11.1292 11.1292
11.7328 11.7328
k = 0.5602-0.0048-0.1569 ( 5174 PWs) bands (ev):
-26.7616 -26.7616 -13.4105 -13.4105 -13.3989 -13.3989 -13.3926 -13.3926
-13.3706 -13.3706 -12.3909 -12.3909 -12.3846 -12.3846 -12.3793 -12.3793
-12.3373 -12.3373 -12.3261 -12.3261 -12.3190 -12.3190 -9.5906 -9.5906
-8.5126 -8.5126 -8.3866 -8.3866 -3.0700 -3.0700 -2.9525 -2.9525
1.4621 1.4621 3.6542 3.6542 6.3801 6.3801 6.5335 6.5335
7.0699 7.0699 7.4121 7.4121 8.2293 8.2293 8.6425 8.6425
9.6258 9.6258 9.8955 9.8955 10.4375 10.4375 11.1026 11.1026
11.6695 11.6695
k = 0.5535 0.0087-0.1317 ( 5178 PWs) bands (ev):
-26.7619 -26.7619 -13.4106 -13.4106 -13.3987 -13.3987 -13.3930 -13.3930
-13.3705 -13.3705 -12.3909 -12.3909 -12.3845 -12.3845 -12.3798 -12.3798
-12.3371 -12.3371 -12.3257 -12.3257 -12.3192 -12.3192 -9.5895 -9.5895
-8.5122 -8.5122 -8.3832 -8.3832 -3.0872 -3.0872 -2.9731 -2.9731
1.4611 1.4611 3.6582 3.6582 6.5039 6.5039 6.6328 6.6328
7.1078 7.1078 7.4564 7.4564 8.2668 8.2668 8.5942 8.5942
9.5567 9.5567 9.9183 9.9183 10.4404 10.4404 11.0770 11.0770
11.5929 11.5929
k = 0.5468 0.0223-0.1065 ( 5180 PWs) bands (ev):
-26.7622 -26.7622 -13.4107 -13.4107 -13.3984 -13.3984 -13.3934 -13.3934
-13.3704 -13.3704 -12.3909 -12.3909 -12.3845 -12.3845 -12.3803 -12.3803
-12.3369 -12.3369 -12.3254 -12.3254 -12.3194 -12.3194 -9.5886 -9.5886
-8.5119 -8.5119 -8.3802 -8.3802 -3.1025 -3.1025 -2.9915 -2.9915
1.4599 1.4599 3.6602 3.6602 6.6318 6.6318 6.7287 6.7287
7.1416 7.1416 7.4956 7.4956 8.2942 8.2942 8.5292 8.5292
9.4863 9.4863 9.9666 9.9666 10.4498 10.4498 11.0520 11.0520
11.5097 11.5097
k = 0.5401 0.0358-0.0813 ( 5182 PWs) bands (ev):
-26.7624 -26.7624 -13.4108 -13.4108 -13.3981 -13.3981 -13.3938 -13.3938
-13.3704 -13.3704 -12.3909 -12.3909 -12.3845 -12.3845 -12.3807 -12.3807
-12.3368 -12.3368 -12.3252 -12.3252 -12.3195 -12.3195 -9.5878 -9.5878
-8.5117 -8.5117 -8.3775 -8.3775 -3.1158 -3.1158 -3.0074 -3.0074
1.4587 1.4587 3.6608 3.6608 6.7621 6.7621 6.8195 6.8195
7.1727 7.1727 7.5292 7.5292 8.3017 8.3017 8.4600 8.4600
9.4187 9.4187 10.0334 10.0334 10.4658 10.4658 11.0270 11.0270
11.4245 11.4245
k = 0.5334 0.0493-0.0561 ( 5186 PWs) bands (ev):
-26.7626 -26.7626 -13.4109 -13.4109 -13.3978 -13.3978 -13.3942 -13.3942
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3811 -12.3811
-12.3367 -12.3367 -12.3249 -12.3249 -12.3196 -12.3196 -9.5871 -9.5871
-8.5115 -8.5115 -8.3751 -8.3751 -3.1271 -3.1271 -3.0210 -3.0210
1.4576 1.4576 3.6606 3.6606 6.8863 6.8863 6.9093 6.9093
7.2027 7.2027 7.5570 7.5570 8.2630 8.2630 8.4164 8.4164
9.3576 9.3576 10.1114 10.1114 10.4890 10.4890 11.0010 11.0010
11.3402 11.3402
k = 0.5267 0.0628-0.0309 ( 5184 PWs) bands (ev):
-26.7628 -26.7628 -13.4110 -13.4110 -13.3975 -13.3975 -13.3946 -13.3946
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3814 -12.3814
-12.3366 -12.3366 -12.3247 -12.3247 -12.3197 -12.3197 -9.5865 -9.5865
-8.5114 -8.5114 -8.3732 -8.3732 -3.1363 -3.1363 -3.0321 -3.0321
1.4566 1.4566 3.6598 3.6598 6.9654 6.9654 7.0308 7.0308
7.2341 7.2341 7.5792 7.5792 8.1739 8.1739 8.4061 8.4061
9.3054 9.3054 10.1933 10.1933 10.5202 10.5202 10.9724 10.9724
11.2594 11.2594
k = 0.5201 0.0763-0.0057 ( 5186 PWs) bands (ev):
-26.7629 -26.7629 -13.4110 -13.4110 -13.3971 -13.3971 -13.3949 -13.3949
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3817 -12.3817
-12.3365 -12.3365 -12.3245 -12.3245 -12.3198 -12.3198 -9.5861 -9.5861
-8.5113 -8.5113 -8.3716 -8.3716 -3.1435 -3.1435 -3.0408 -3.0408
1.4558 1.4558 3.6590 3.6590 7.0202 7.0202 7.1528 7.1528
7.2714 7.2714 7.5968 7.5968 8.0634 8.0634 8.4045 8.4045
9.2641 9.2641 10.2708 10.2708 10.5607 10.5607 10.9386 10.9386
11.1852 11.1852
k = 0.5134 0.0899 0.0195 ( 5192 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3968 -13.3968 -13.3953 -13.3953
-13.3702 -13.3702 -12.3908 -12.3908 -12.3843 -12.3843 -12.3819 -12.3819
-12.3364 -12.3364 -12.3244 -12.3244 -12.3199 -12.3199 -9.5858 -9.5858
-8.5112 -8.5112 -8.3705 -8.3705 -3.1486 -3.1486 -3.0471 -3.0471
1.4551 1.4551 3.6582 3.6582 7.0575 7.0575 7.2425 7.2425
7.3313 7.3313 7.6138 7.6138 7.9462 7.9462 8.4031 8.4031
9.2344 9.2344 10.3344 10.3344 10.6117 10.6117 10.8969 10.8969
11.1229 11.1229
k = 0.5067 0.1034 0.0447 ( 5212 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3964 -13.3964 -13.3957 -13.3957
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3820 -12.3820
-12.3364 -12.3364 -12.3243 -12.3243 -12.3199 -12.3199 -9.5856 -9.5856
-8.5111 -8.5111 -8.3699 -8.3699 -3.1517 -3.1517 -3.0508 -3.0508
1.4547 1.4547 3.6576 3.6576 7.0784 7.0784 7.2811 7.2811
7.4108 7.4108 7.6405 7.6405 7.8329 7.8329 8.4014 8.4014
9.2168 9.2168 10.3756 10.3756 10.6690 10.6690 10.8478 10.8478
11.0808 11.0808
k = 0.5000 0.1169 0.0699 ( 5210 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1528 -3.1528 -3.0520 -3.0520
1.4546 1.4546 3.6574 3.6574 7.0852 7.0852 7.2919 7.2919
7.4472 7.4472 7.6743 7.6743 7.7628 7.7628 8.4006 8.4006
9.2109 9.2109 10.3898 10.3898 10.7042 10.7042 10.8159 10.8159
11.0660 11.0660
k = 0.5000 0.1169 0.0699 ( 5210 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1528 -3.1528 -3.0520 -3.0520
1.4546 1.4546 3.6574 3.6574 7.0852 7.0852 7.2919 7.2919
7.4472 7.4472 7.6743 7.6743 7.7628 7.7628 8.4006 8.4006
9.2109 9.2109 10.3898 10.3898 10.7042 10.7042 10.8159 10.8159
11.0660 11.0660
k = 0.4722 0.1104 0.0661 ( 5201 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1597 -3.1597 -3.0446 -3.0446
1.4517 1.4517 3.6625 3.6625 7.0849 7.0849 7.2920 7.2920
7.4456 7.4456 7.6617 7.6617 7.7627 7.7627 8.4129 8.4129
9.2109 9.2109 10.3830 10.3830 10.6965 10.6965 10.8212 10.8212
11.0725 11.0725
k = 0.4444 0.1039 0.0622 ( 5189 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1764 -3.1764 -3.0265 -3.0265
1.4431 1.4431 3.6773 3.6773 7.0841 7.0841 7.2925 7.2925
7.4399 7.4399 7.6276 7.6276 7.7623 7.7623 8.4469 8.4469
9.2109 9.2109 10.3640 10.3640 10.6751 10.6751 10.8360 10.8360
11.0918 11.0918
k = 0.4167 0.0974 0.0583 ( 5194 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1973 -3.1973 -3.0033 -3.0033
1.4293 1.4293 3.7016 3.7016 7.0826 7.0826 7.2933 7.2933
7.4264 7.4264 7.5822 7.5822 7.7617 7.7617 8.4964 8.4964
9.2109 9.2109 10.3360 10.3360 10.6438 10.6438 10.8578 10.8578
11.1231 11.1231
k = 0.3889 0.0909 0.0544 ( 5194 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.2194 -3.2194 -2.9781 -2.9781
1.4109 1.4109 3.7346 3.7346 7.0798 7.0798 7.2943 7.2943
7.3966 7.3966 7.5407 7.5407 7.7609 7.7609 8.5550 8.5550
9.2109 9.2109 10.3023 10.3023 10.6067 10.6067 10.8848 10.8848
11.1649 11.1649
k = 0.3611 0.0844 0.0505 ( 5185 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5110 -8.5110 -8.3696 -8.3696 -3.2414 -3.2414 -2.9521 -2.9521
1.3887 1.3887 3.7753 3.7753 7.0750 7.0750 7.2957 7.2957
7.3445 7.3445 7.5150 7.5150 7.7599 7.7599 8.6178 8.6178
9.2109 9.2109 10.2657 10.2657 10.5667 10.5667 10.9158 10.9158
11.2153 11.2153
k = 0.3333 0.0779 0.0466 ( 5185 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5110 -8.5110 -8.3696 -8.3696 -3.2628 -3.2628 -2.9261 -2.9261
1.3635 1.3635 3.8226 3.8226 7.0658 7.0658 7.2785 7.2785
7.2972 7.2972 7.5026 7.5026 7.7587 7.7587 8.6816 8.6816
9.2111 9.2111 10.2282 10.2282 10.5262 10.5262 10.9507 10.9507
11.2724 11.2724
k = 0.3056 0.0714 0.0427 ( 5179 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5110 -8.5110 -8.3696 -8.3696 -3.2832 -3.2832 -2.9006 -2.9006
1.3363 1.3363 3.8752 3.8752 7.0465 7.0465 7.2135 7.2135
7.2989 7.2989 7.4968 7.4968 7.7574 7.7574 8.7437 8.7437
9.2115 9.2115 10.1912 10.1912 10.4863 10.4863 10.9898 10.9898
11.3342 11.3342
k = 0.2778 0.0649 0.0389 ( 5182 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5109 -8.5109 -8.3696 -8.3696 -3.3024 -3.3024 -2.8760 -2.8760
1.3080 1.3080 3.9319 3.9319 7.0069 7.0069 7.1652 7.1652
7.3008 7.3008 7.4941 7.4941 7.7560 7.7560 8.8027 8.8027
9.2122 9.2122 10.1555 10.1555 10.4482 10.4482 11.0331 11.0331
11.3990 11.3990
k = 0.2500 0.0584 0.0350 ( 5179 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5109 -8.5109 -8.3696 -8.3696 -3.3201 -3.3201 -2.8526 -2.8526
1.2795 1.2795 3.9912 3.9912 6.9444 6.9444 7.1394 7.1394
7.3027 7.3027 7.4929 7.4929 7.7545 7.7545 8.8573 8.8573
9.2133 9.2133 10.1220 10.1220 10.4125 10.4125 11.0811 11.0811
11.4651 11.4651
k = 0.2222 0.0520 0.0311 ( 5176 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5109 -8.5109 -8.3696 -8.3696 -3.3363 -3.3363 -2.8308 -2.8308
1.2517 1.2517 4.0515 4.0515 6.8701 6.8701 7.1271 7.1271
7.3046 7.3046 7.4925 7.4925 7.7531 7.7531 8.9065 8.9065
9.2148 9.2148 10.0912 10.0912 10.3797 10.3797 11.1336 11.1336
11.5310 11.5310
k = 0.1944 0.0455 0.0272 ( 5164 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5108 -8.5108 -8.3696 -8.3696 -3.3508 -3.3508 -2.8107 -2.8107
1.2254 1.2254 4.1114 4.1114 6.7935 6.7935 7.1209 7.1209
7.3065 7.3065 7.4925 7.4925 7.7516 7.7516 8.9498 8.9498
9.2171 9.2171 10.0633 10.0633 10.3502 10.3502 11.1907 11.1907
11.5950 11.5950
k = 0.1667 0.0390 0.0233 ( 5143 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5108 -8.5108 -8.3696 -8.3696 -3.3635 -3.3635 -2.7927 -2.7927
1.2011 1.2011 4.1690 4.1690 6.7196 6.7196 7.1174 7.1174
7.3083 7.3083 7.4929 7.4929 7.7502 7.7502 8.9866 8.9866
9.2200 9.2200 10.0387 10.0387 10.3241 10.3241 11.2521 11.2521
11.6551 11.6551
k = 0.1389 0.0325 0.0194 ( 5137 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5108 -8.5108 -8.3696 -8.3696 -3.3743 -3.3743 -2.7771 -2.7771
1.1796 1.1796 4.2225 4.2225 6.6517 6.6517 7.1153 7.1153
7.3099 7.3099 7.4933 7.4933 7.7490 7.7490 9.0167 9.0167
9.2236 9.2236 10.0177 10.0177 10.3017 10.3017 11.3172 11.3172
11.7087 11.7087
k = 0.1111 0.0260 0.0155 ( 5137 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3833 -3.3833 -2.7639 -2.7639
1.1613 1.1613 4.2701 4.2701 6.5920 6.5920 7.1139 7.1139
7.3113 7.3113 7.4938 7.4938 7.7479 7.7479 9.0403 9.0403
9.2277 9.2277 10.0002 10.0002 10.2833 10.2833 11.3852 11.3852
11.7520 11.7520
k = 0.0833 0.0195 0.0117 ( 5146 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3903 -3.3903 -2.7535 -2.7535
1.1466 1.1466 4.3097 4.3097 6.5429 6.5429 7.1131 7.1131
7.3124 7.3124 7.4942 7.4942 7.7470 7.7470 9.0576 9.0576
9.2319 9.2319 9.9866 9.9866 10.2688 10.2688 11.4549 11.4549
11.7788 11.7788
k = 0.0556 0.0130 0.0078 ( 5155 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3954 -3.3954 -2.7460 -2.7460
1.1358 1.1358 4.3396 4.3396 6.5062 6.5062 7.1126 7.1126
7.3133 7.3133 7.4945 7.4945 7.7464 7.7464 9.0694 9.0694
9.2355 9.2355 9.9767 9.9767 10.2584 10.2584 11.5237 11.5237
11.7812 11.7812
k = 0.0278 0.0065 0.0039 ( 5155 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3984 -3.3984 -2.7414 -2.7414
1.1293 1.1293 4.3582 4.3582 6.4835 6.4835 7.1123 7.1123
7.3138 7.3138 7.4948 7.4948 7.7460 7.7460 9.0761 9.0761
9.2379 9.2379 9.9708 9.9708 10.2521 10.2521 11.5853 11.5853
11.7591 11.7591
k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3994 -3.3994 -2.7399 -2.7399
1.1271 1.1271 4.3646 4.3646 6.4758 6.4758 7.1122 7.1122
7.3140 7.3140 7.4948 7.4948 7.7458 7.7458 9.0783 9.0783
9.2388 9.2388 9.9689 9.9689 10.2500 10.2500 11.6163 11.6163
11.7398 11.7398
k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5854 -9.5854
-8.5107 -8.5107 -8.3696 -8.3696 -3.3994 -3.3994 -2.7399 -2.7399
1.1271 1.1271 4.3646 4.3646 6.4758 6.4758 7.1122 7.1122
7.3140 7.3140 7.4948 7.4948 7.7458 7.7458 9.0783 9.0783
9.2388 9.2388 9.9689 9.9689 10.2500 10.2500 11.6163 11.6163
11.7398 11.7398
k = 0.0067-0.0135-0.0251 ( 5163 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3964 -13.3964 -13.3957 -13.3957
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3820 -12.3820
-12.3364 -12.3364 -12.3243 -12.3243 -12.3199 -12.3199 -9.5854 -9.5854
-8.5107 -8.5107 -8.3699 -8.3699 -3.3981 -3.3981 -2.7390 -2.7390
1.1280 1.1280 4.3613 4.3613 6.4751 6.4751 7.1104 7.1104
7.3119 7.3119 7.4854 7.4854 7.7339 7.7339 9.0931 9.0931
9.2365 9.2365 9.9751 9.9751 10.2538 10.2538 11.6125 11.6125
11.7366 11.7366
k = 0.0133-0.0269-0.0502 ( 5163 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3968 -13.3968 -13.3953 -13.3953
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3819 -12.3819
-12.3365 -12.3365 -12.3244 -12.3244 -12.3199 -12.3199 -9.5856 -9.5856
-8.5108 -8.5108 -8.3705 -8.3705 -3.3942 -3.3942 -2.7365 -2.7365
1.1305 1.1305 4.3515 4.3515 6.4728 6.4728 7.1048 7.1048
7.3056 7.3056 7.4569 7.4569 7.7017 7.7017 9.1309 9.1309
9.2336 9.2336 9.9935 9.9935 10.2651 10.2651 11.6005 11.6005
11.7271 11.7271
k = 0.0200-0.0404-0.0753 ( 5161 PWs) bands (ev):
-26.7629 -26.7629 -13.4110 -13.4110 -13.3971 -13.3971 -13.3950 -13.3950
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3817 -12.3817
-12.3365 -12.3365 -12.3245 -12.3245 -12.3198 -12.3198 -9.5859 -9.5859
-8.5108 -8.5108 -8.3716 -8.3716 -3.3877 -3.3877 -2.7322 -2.7322
1.1347 1.1347 4.3353 4.3353 6.4682 6.4682 7.0951 7.0951
7.2952 7.2952 7.4096 7.4096 7.6572 7.6572 9.1618 9.1618
9.2528 9.2528 10.0236 10.0236 10.2841 10.2841 11.5790 11.5790
11.7111 11.7111
k = 0.0266-0.0538-0.1004 ( 5161 PWs) bands (ev):
-26.7628 -26.7628 -13.4110 -13.4110 -13.3975 -13.3975 -13.3946 -13.3946
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3814 -12.3814
-12.3366 -12.3366 -12.3247 -12.3247 -12.3197 -12.3197 -9.5864 -9.5864
-8.5110 -8.5110 -8.3731 -8.3731 -3.3786 -3.3786 -2.7263 -2.7263
1.1406 1.1406 4.3128 4.3128 6.4599 6.4599 7.0806 7.0806
7.2795 7.2795 7.3479 7.3479 7.6071 7.6071 9.1570 9.1570
9.3149 9.3149 10.0643 10.0643 10.3115 10.3115 11.5460 11.5460
11.6894 11.6894
k = 0.0333-0.0673-0.1255 ( 5155 PWs) bands (ev):
-26.7626 -26.7626 -13.4109 -13.4109 -13.3978 -13.3978 -13.3942 -13.3942
-13.3704 -13.3704 -12.3908 -12.3908 -12.3844 -12.3844 -12.3811 -12.3811
-12.3367 -12.3367 -12.3249 -12.3249 -12.3196 -12.3196 -9.5869 -9.5869
-8.5111 -8.5111 -8.3751 -8.3751 -3.3669 -3.3669 -2.7187 -2.7187
1.1480 1.1480 4.2840 4.2840 6.4456 6.4456 7.0599 7.0599
7.2493 7.2493 7.2894 7.2894 7.5539 7.5539 9.1368 9.1368
9.3919 9.3919 10.1133 10.1133 10.3493 10.3493 11.5006 11.5006
11.6634 11.6634
k = 0.0399-0.0808-0.1506 ( 5159 PWs) bands (ev):
-26.7624 -26.7624 -13.4108 -13.4108 -13.3981 -13.3981 -13.3938 -13.3938
-13.3704 -13.3704 -12.3908 -12.3908 -12.3845 -12.3845 -12.3807 -12.3807
-12.3368 -12.3368 -12.3251 -12.3251 -12.3195 -12.3195 -9.5876 -9.5876
-8.5113 -8.5113 -8.3774 -8.3774 -3.3526 -3.3526 -2.7094 -2.7094
1.1569 1.1569 4.2493 4.2493 6.4224 6.4224 7.0305 7.0305
7.1915 7.1915 7.2586 7.2586 7.4975 7.4975 9.1119 9.1119
9.4675 9.4675 10.1659 10.1659 10.4011 10.4011 11.4439 11.4439
11.6340 11.6340
k = 0.0466-0.0942-0.1757 ( 5163 PWs) bands (ev):
-26.7622 -26.7622 -13.4107 -13.4107 -13.3984 -13.3984 -13.3934 -13.3934
-13.3705 -13.3705 -12.3909 -12.3909 -12.3845 -12.3845 -12.3803 -12.3803
-12.3369 -12.3369 -12.3254 -12.3254 -12.3193 -12.3193 -9.5884 -9.5884
-8.5115 -8.5115 -8.3801 -8.3801 -3.3359 -3.3359 -2.6985 -2.6985
1.1672 1.1672 4.2086 4.2086 6.3862 6.3862 6.9908 6.9908
7.1363 7.1363 7.2357 7.2357 7.4374 7.4374 9.0852 9.0852
9.5355 9.5355 10.2155 10.2155 10.4705 10.4705 11.3796 11.3796
11.6013 11.6013
k = 0.0533-0.1077-0.2007 ( 5173 PWs) bands (ev):
-26.7619 -26.7619 -13.4106 -13.4106 -13.3987 -13.3987 -13.3930 -13.3930
-13.3705 -13.3705 -12.3909 -12.3909 -12.3846 -12.3846 -12.3798 -12.3798
-12.3371 -12.3371 -12.3257 -12.3257 -12.3192 -12.3192 -9.5894 -9.5894
-8.5118 -8.5118 -8.3831 -8.3831 -3.3166 -3.3166 -2.6860 -2.6860
1.1788 1.1788 4.1624 4.1624 6.3336 6.3336 6.9451 6.9451
7.0946 7.0946 7.2126 7.2126 7.3738 7.3738 9.0574 9.0574
9.5938 9.5938 10.2575 10.2575 10.5559 10.5559 11.3136 11.3136
11.5652 11.5652
k = 0.0599-0.1211-0.2258 ( 5171 PWs) bands (ev):
-26.7616 -26.7616 -13.4105 -13.4105 -13.3990 -13.3990 -13.3926 -13.3926
-13.3706 -13.3706 -12.3908 -12.3908 -12.3846 -12.3846 -12.3793 -12.3793
-12.3373 -12.3373 -12.3261 -12.3261 -12.3190 -12.3190 -9.5904 -9.5904
-8.5122 -8.5122 -8.3865 -8.3865 -3.2948 -3.2948 -2.6718 -2.6718
1.1915 1.1915 4.1109 4.1109 6.2631 6.2631 6.9014 6.9014
7.0621 7.0621 7.1879 7.1879 7.3082 7.3082 9.0287 9.0287
9.6430 9.6430 10.2917 10.2917 10.6460 10.6460 11.2554 11.2554
11.5260 11.5260
k = 0.0666-0.1346-0.2509 ( 5171 PWs) bands (ev):
-26.7613 -26.7613 -13.4104 -13.4104 -13.3992 -13.3992 -13.3922 -13.3922
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3788 -12.3788
-12.3375 -12.3375 -12.3264 -12.3264 -12.3188 -12.3188 -9.5916 -9.5916
-8.5126 -8.5126 -8.3901 -8.3901 -3.2706 -3.2706 -2.6561 -2.6561
1.2053 1.2053 4.0544 4.0544 6.1765 6.1765 6.8636 6.8636
7.0337 7.0337 7.1605 7.1605 7.2439 7.2439 8.9989 8.9989
9.6846 9.6846 10.3198 10.3198 10.7191 10.7191 11.2213 11.2213
11.4844 11.4844
k = 0.0732-0.1481-0.2760 ( 5171 PWs) bands (ev):
-26.7610 -26.7610 -13.4102 -13.4102 -13.3995 -13.3995 -13.3918 -13.3918
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3782 -12.3782
-12.3377 -12.3377 -12.3268 -12.3268 -12.3187 -12.3187 -9.5929 -9.5929
-8.5131 -8.5131 -8.3940 -8.3940 -3.2440 -3.2440 -2.6389 -2.6389
1.2198 1.2198 3.9933 3.9933 6.0775 6.0775 6.8293 6.8293
7.0048 7.0048 7.1271 7.1271 7.1894 7.1894 8.9676 8.9676
9.7201 9.7201 10.3435 10.3435 10.7472 10.7472 11.2309 11.2309
11.4414 11.4414
k = 0.0799-0.1615-0.3011 ( 5167 PWs) bands (ev):
-26.7606 -26.7606 -13.4101 -13.4101 -13.3997 -13.3997 -13.3913 -13.3913
-13.3708 -13.3708 -12.3907 -12.3907 -12.3846 -12.3846 -12.3776 -12.3776
-12.3379 -12.3379 -12.3272 -12.3272 -12.3185 -12.3185 -9.5943 -9.5943
-8.5136 -8.5136 -8.3980 -8.3980 -3.2150 -3.2150 -2.6201 -2.6201
1.2350 1.2350 3.9279 3.9279 5.9706 5.9706 6.7934 6.7934
6.9702 6.9702 7.0852 7.0852 7.1545 7.1545 8.9345 8.9345
9.7509 9.7509 10.3636 10.3636 10.7229 10.7229 11.2785 11.2785
11.3986 11.3986
k = 0.0865-0.1750-0.3262 ( 5171 PWs) bands (ev):
-26.7602 -26.7602 -13.4099 -13.4099 -13.3999 -13.3999 -13.3909 -13.3909
-13.3709 -13.3709 -12.3907 -12.3907 -12.3846 -12.3846 -12.3770 -12.3770
-12.3382 -12.3382 -12.3276 -12.3276 -12.3183 -12.3183 -9.5958 -9.5958
-8.5142 -8.5142 -8.4022 -8.4022 -3.1837 -3.1837 -2.5998 -2.5998
1.2505 1.2505 3.8585 3.8585 5.8594 5.8594 6.7504 6.7504
6.9261 6.9261 7.0442 7.0442 7.1371 7.1371 8.8990 8.8990
9.7782 9.7782 10.3804 10.3804 10.6660 10.6660 11.3231 11.3231
11.3598 11.3598
k = 0.0932-0.1884-0.3513 ( 5175 PWs) bands (ev):
-26.7598 -26.7598 -13.4098 -13.4098 -13.4001 -13.4001 -13.3905 -13.3905
-13.3710 -13.3710 -12.3906 -12.3906 -12.3846 -12.3846 -12.3764 -12.3764
-12.3385 -12.3385 -12.3280 -12.3280 -12.3181 -12.3181 -9.5974 -9.5974
-8.5150 -8.5150 -8.4066 -8.4066 -3.1502 -3.1502 -2.5781 -2.5781
1.2662 1.2662 3.7856 3.7856 5.7469 5.7469 6.6957 6.6957
6.8763 6.8763 7.0080 7.0080 7.1324 7.1324 8.8610 8.8610
9.8026 9.8026 10.3926 10.3926 10.5964 10.5964 11.3109 11.3109
11.3518 11.3518
k = 0.0999-0.2019-0.3764 ( 5175 PWs) bands (ev):
-26.7594 -26.7594 -13.4096 -13.4096 -13.4003 -13.4003 -13.3901 -13.3901
-13.3712 -13.3712 -12.3905 -12.3905 -12.3845 -12.3845 -12.3758 -12.3758
-12.3388 -12.3388 -12.3284 -12.3284 -12.3179 -12.3179 -9.5991 -9.5991
-8.5158 -8.5158 -8.4110 -8.4110 -3.1145 -3.1145 -2.5551 -2.5551
1.2818 1.2818 3.7095 3.7095 5.6351 5.6351 6.6280 6.6280
6.8263 6.8263 6.9735 6.9735 7.1377 7.1377 8.8202 8.8202
9.8245 9.8245 10.3945 10.3945 10.5295 10.5295 11.2765 11.2765
11.3459 11.3459
k = 0.1065-0.2154-0.4015 ( 5183 PWs) bands (ev):
-26.7589 -26.7589 -13.4094 -13.4094 -13.4004 -13.4004 -13.3897 -13.3897
-13.3713 -13.3713 -12.3904 -12.3904 -12.3845 -12.3845 -12.3752 -12.3752
-12.3391 -12.3391 -12.3288 -12.3288 -12.3178 -12.3178 -9.6009 -9.6009
-8.5167 -8.5167 -8.4155 -8.4155 -3.0767 -3.0767 -2.5306 -2.5306
1.2969 1.2969 3.6306 3.6306 5.5257 5.5257 6.5498 6.5498
6.7775 6.7775 6.9392 6.9392 7.1506 7.1506 8.7766 8.7766
9.8439 9.8439 10.3693 10.3693 10.4875 10.4875 11.2453 11.2453
11.3316 11.3316
k = 0.1132-0.2288-0.4266 ( 5179 PWs) bands (ev):
-26.7585 -26.7585 -13.4093 -13.4093 -13.4006 -13.4006 -13.3893 -13.3893
-13.3714 -13.3714 -12.3903 -12.3903 -12.3844 -12.3844 -12.3745 -12.3745
-12.3395 -12.3395 -12.3292 -12.3292 -12.3176 -12.3176 -9.6027 -9.6027
-8.5178 -8.5178 -8.4200 -8.4200 -3.0368 -3.0368 -2.5050 -2.5050
1.3113 1.3113 3.5494 3.5494 5.4200 5.4200 6.4644 6.4644
6.7282 6.7282 6.9050 6.9050 7.1684 7.1684 8.7301 8.7301
9.8601 9.8601 10.3123 10.3123 10.4782 10.4782 11.2196 11.2196
11.3159 11.3159
k = 0.1198-0.2423-0.4517 ( 5175 PWs) bands (ev):
-26.7580 -26.7580 -13.4091 -13.4091 -13.4007 -13.4007 -13.3890 -13.3890
-13.3715 -13.3715 -12.3902 -12.3902 -12.3843 -12.3843 -12.3739 -12.3739
-12.3398 -12.3398 -12.3295 -12.3295 -12.3175 -12.3175 -9.6047 -9.6047
-8.5190 -8.5190 -8.4245 -8.4245 -2.9949 -2.9949 -2.4781 -2.4781
1.3247 1.3247 3.4662 3.4662 5.3189 5.3189 6.3746 6.3746
6.6766 6.6766 6.8714 6.8714 7.1894 7.1894 8.6809 8.6809
9.8718 9.8718 10.2471 10.2471 10.4813 10.4813 11.2005 11.2005
11.3029 11.3029
k = 0.1265-0.2557-0.4768 ( 5165 PWs) bands (ev):
-26.7575 -26.7575 -13.4090 -13.4090 -13.4008 -13.4008 -13.3886 -13.3886
-13.3717 -13.3717 -12.3901 -12.3901 -12.3842 -12.3842 -12.3733 -12.3733
-12.3402 -12.3402 -12.3299 -12.3299 -12.3174 -12.3174 -9.6067 -9.6067
-8.5203 -8.5203 -8.4289 -8.4289 -2.9512 -2.9512 -2.4500 -2.4500
1.3367 1.3367 3.3813 3.3813 5.2234 5.2234 6.2826 6.2826
6.6216 6.6216 6.8390 6.8390 7.2117 7.2117 8.6291 8.6291
9.8760 9.8760 10.1883 10.1883 10.4868 10.4868 11.1886 11.1886
11.2943 11.2943
k = 0.1331-0.2692-0.5019 ( 5161 PWs) bands (ev):
-26.7570 -26.7570 -13.4088 -13.4088 -13.4009 -13.4009 -13.3882 -13.3882
-13.3718 -13.3718 -12.3900 -12.3900 -12.3840 -12.3840 -12.3727 -12.3727
-12.3406 -12.3406 -12.3302 -12.3302 -12.3172 -12.3172 -9.6088 -9.6088
-8.5217 -8.5217 -8.4333 -8.4333 -2.9057 -2.9057 -2.4209 -2.4209
1.3470 1.3470 3.2952 3.2952 5.1342 5.1342 6.1894 6.1894
6.5625 6.5625 6.8081 6.8081 7.2342 7.2342 8.5750 8.5750
9.8681 9.8681 10.1446 10.1446 10.4918 10.4918 11.1845 11.1845
11.2910 11.2910
k = 0.1398-0.2826-0.5270 ( 5157 PWs) bands (ev):
-26.7565 -26.7565 -13.4087 -13.4087 -13.4009 -13.4009 -13.3878 -13.3878
-13.3720 -13.3720 -12.3899 -12.3899 -12.3838 -12.3838 -12.3721 -12.3721
-12.3410 -12.3410 -12.3306 -12.3306 -12.3172 -12.3172 -9.6109 -9.6109
-8.5233 -8.5233 -8.4375 -8.4375 -2.8586 -2.8586 -2.3907 -2.3907
1.3552 1.3552 3.2081 3.2081 5.0520 5.0520 6.0961 6.0961
6.4992 6.4992 6.7787 6.7787 7.2555 7.2555 8.5188 8.5188
9.8449 9.8449 10.1213 10.1213 10.4956 10.4956 11.1883 11.1883
11.2936 11.2936
k = 0.1465-0.2961-0.5521 ( 5165 PWs) bands (ev):
-26.7560 -26.7560 -13.4086 -13.4086 -13.4009 -13.4009 -13.3875 -13.3875
-13.3721 -13.3721 -12.3899 -12.3899 -12.3836 -12.3836 -12.3715 -12.3715
-12.3414 -12.3414 -12.3309 -12.3309 -12.3171 -12.3171 -9.6130 -9.6130
-8.5249 -8.5249 -8.4415 -8.4415 -2.8098 -2.8098 -2.3597 -2.3597
1.3610 1.3610 3.1204 3.1204 4.9772 4.9772 6.0032 6.0032
6.4320 6.4320 6.7510 6.7510 7.2745 7.2745 8.4607 8.4607
9.8090 9.8090 10.1175 10.1175 10.4981 10.4981 11.1997 11.1997
11.3021 11.3021
k = 0.1531-0.3096-0.5771 ( 5165 PWs) bands (ev):
-26.7555 -26.7555 -13.4085 -13.4085 -13.4009 -13.4009 -13.3871 -13.3871
-13.3723 -13.3723 -12.3898 -12.3898 -12.3833 -12.3833 -12.3709 -12.3709
-12.3419 -12.3419 -12.3311 -12.3311 -12.3170 -12.3170 -9.6152 -9.6152
-8.5267 -8.5267 -8.4454 -8.4454 -2.7597 -2.7597 -2.3279 -2.3279
1.3641 1.3641 3.0324 3.0324 4.9105 4.9105 5.9112 5.9112
6.3613 6.3613 6.7247 6.7247 7.2902 7.2902 8.4011 8.4011
9.7671 9.7671 10.1277 10.1277 10.4996 10.4996 11.2183 11.2183
11.3163 11.3163
k = 0.1598-0.3230-0.6022 ( 5165 PWs) bands (ev):
-26.7550 -26.7550 -13.4084 -13.4084 -13.4009 -13.4009 -13.3868 -13.3868
-13.3725 -13.3725 -12.3898 -12.3898 -12.3830 -12.3830 -12.3703 -12.3703
-12.3423 -12.3423 -12.3314 -12.3314 -12.3170 -12.3170 -9.6174 -9.6174
-8.5286 -8.5286 -8.4492 -8.4492 -2.7082 -2.7082 -2.2953 -2.2953
1.3644 1.3644 2.9445 2.9445 4.8523 4.8523 5.8206 5.8206
6.2873 6.2873 6.6999 6.6999 7.3016 7.3016 8.3402 8.3402
9.7256 9.7256 10.1467 10.1467 10.5005 10.5005 11.2435 11.2435
11.3361 11.3361
k = 0.1664-0.3365-0.6273 ( 5167 PWs) bands (ev):
-26.7545 -26.7545 -13.4083 -13.4083 -13.4008 -13.4008 -13.3864 -13.3864
-13.3727 -13.3727 -12.3898 -12.3898 -12.3827 -12.3827 -12.3698 -12.3698
-12.3427 -12.3427 -12.3315 -12.3315 -12.3170 -12.3170 -9.6196 -9.6196
-8.5306 -8.5306 -8.4528 -8.4528 -2.6557 -2.6557 -2.2621 -2.2621
1.3617 1.3617 2.8568 2.8568 4.8028 4.8028 5.7316 5.7316
6.2107 6.2107 6.6764 6.6764 7.3077 7.3077 8.2783 8.2783
9.6884 9.6884 10.1715 10.1715 10.5014 10.5014 11.2744 11.2744
11.3613 11.3613
k = 0.1731-0.3499-0.6524 ( 5171 PWs) bands (ev):
-26.7540 -26.7540 -13.4083 -13.4083 -13.4006 -13.4006 -13.3861 -13.3861
-13.3728 -13.3728 -12.3898 -12.3898 -12.3823 -12.3823 -12.3692 -12.3692
-12.3432 -12.3432 -12.3317 -12.3317 -12.3171 -12.3171 -9.6218 -9.6218
-8.5326 -8.5326 -8.4562 -8.4562 -2.6021 -2.6021 -2.2284 -2.2284
1.3558 1.3558 2.7697 2.7697 4.7624 4.7624 5.6446 5.6446
6.1318 6.1318 6.6543 6.6543 7.3079 7.3079 8.2155 8.2155
9.6578 9.6578 10.2004 10.2004 10.5030 10.5030 11.3104 11.3104
11.3914 11.3914
k = 0.1797-0.3634-0.6775 ( 5171 PWs) bands (ev):
-26.7535 -26.7535 -13.4083 -13.4083 -13.4005 -13.4005 -13.3858 -13.3858
-13.3730 -13.3730 -12.3899 -12.3899 -12.3818 -12.3818 -12.3687 -12.3687
-12.3436 -12.3436 -12.3318 -12.3318 -12.3171 -12.3171 -9.6240 -9.6240
-8.5347 -8.5347 -8.4595 -8.4595 -2.5478 -2.5478 -2.1944 -2.1944
1.3467 1.3467 2.6833 2.6833 4.7311 4.7311 5.5598 5.5598
6.0511 6.0511 6.6335 6.6335 7.3016 7.3016 8.1522 8.1522
9.6354 9.6354 10.2324 10.2324 10.5055 10.5055 11.3506 11.3506
11.4262 11.4262
k = 0.1864-0.3769-0.7026 ( 5171 PWs) bands (ev):
-26.7531 -26.7531 -13.4083 -13.4083 -13.4003 -13.4003 -13.3855 -13.3855
-13.3732 -13.3732 -12.3900 -12.3900 -12.3814 -12.3814 -12.3682 -12.3682
-12.3441 -12.3441 -12.3319 -12.3319 -12.3172 -12.3172 -9.6261 -9.6261
-8.5368 -8.5368 -8.4626 -8.4626 -2.4929 -2.4929 -2.1601 -2.1601
1.3347 1.3347 2.5981 2.5981 4.7089 4.7089 5.4775 5.4775
5.9691 5.9691 6.6139 6.6139 7.2885 7.2885 8.0885 8.0885
9.6219 9.6219 10.2668 10.2668 10.5094 10.5094 11.3944 11.3944
11.4654 11.4654
k = 0.1931-0.3903-0.7277 ( 5175 PWs) bands (ev):
-26.7526 -26.7526 -13.4083 -13.4083 -13.4001 -13.4001 -13.3852 -13.3852
-13.3734 -13.3734 -12.3901 -12.3901 -12.3809 -12.3809 -12.3677 -12.3677
-12.3446 -12.3446 -12.3320 -12.3320 -12.3173 -12.3173 -9.6282 -9.6282
-8.5388 -8.5388 -8.4656 -8.4656 -2.4377 -2.4377 -2.1257 -2.1257
1.3199 1.3199 2.5141 2.5141 4.6958 4.6958 5.3979 5.3979
5.8862 5.8862 6.5957 6.5957 7.2685 7.2685 8.0247 8.0247
9.6176 9.6176 10.3029 10.3029 10.5150 10.5150 11.4412 11.4412
11.5087 11.5087
k = 0.1997-0.4038-0.7528 ( 5175 PWs) bands (ev):
-26.7521 -26.7521 -13.4084 -13.4084 -13.3998 -13.3998 -13.3849 -13.3849
-13.3736 -13.3736 -12.3903 -12.3903 -12.3803 -12.3803 -12.3672 -12.3672
-12.3451 -12.3451 -12.3320 -12.3320 -12.3175 -12.3175 -9.6302 -9.6302
-8.5409 -8.5409 -8.4684 -8.4684 -2.3823 -2.3823 -2.0913 -2.0913
1.3026 1.3026 2.4315 2.4315 4.6913 4.6913 5.3211 5.3211
5.8028 5.8028 6.5788 6.5788 7.2418 7.2418 7.9608 7.9608
9.6226 9.6226 10.3403 10.3403 10.5225 10.5225 11.4903 11.4903
11.5556 11.5556
k = 0.2064-0.4172-0.7779 ( 5171 PWs) bands (ev):
-26.7517 -26.7517 -13.4085 -13.4085 -13.3996 -13.3996 -13.3846 -13.3846
-13.3738 -13.3738 -12.3904 -12.3904 -12.3798 -12.3798 -12.3667 -12.3667
-12.3456 -12.3456 -12.3320 -12.3320 -12.3177 -12.3177 -9.6321 -9.6321
-8.5428 -8.5428 -8.4712 -8.4712 -2.3271 -2.3271 -2.0571 -2.0571
1.2832 1.2832 2.3507 2.3507 4.6953 4.6953 5.2475 5.2475
5.7194 5.7194 6.5633 6.5633 7.2088 7.2088 7.8972 7.8972
9.6364 9.6364 10.3782 10.3782 10.5320 10.5320 11.5415 11.5415
11.6059 11.6059
k = 0.2130-0.4307-0.8030 ( 5177 PWs) bands (ev):
-26.7513 -26.7513 -13.4086 -13.4086 -13.3993 -13.3993 -13.3844 -13.3844
-13.3740 -13.3740 -12.3906 -12.3906 -12.3792 -12.3792 -12.3663 -12.3663
-12.3461 -12.3461 -12.3319 -12.3319 -12.3179 -12.3179 -9.6340 -9.6340
-8.5447 -8.5447 -8.4738 -8.4738 -2.2724 -2.2724 -2.0233 -2.0233
1.2624 1.2624 2.2717 2.2717 4.7071 4.7071 5.1773 5.1773
5.6365 5.6365 6.5491 6.5491 7.1703 7.1703 7.8339 7.8339
9.6584 9.6584 10.4161 10.4161 10.5436 10.5436 11.5944 11.5944
11.6592 11.6592
k = 0.2197-0.4442-0.8281 ( 5171 PWs) bands (ev):
-26.7509 -26.7509 -13.4087 -13.4087 -13.3990 -13.3990 -13.3841 -13.3841
-13.3742 -13.3742 -12.3908 -12.3908 -12.3786 -12.3786 -12.3658 -12.3658
-12.3466 -12.3466 -12.3318 -12.3318 -12.3181 -12.3181 -9.6358 -9.6358
-8.5464 -8.5464 -8.4764 -8.4764 -2.2185 -2.2185 -1.9899 -1.9899
1.2405 1.2405 2.1946 2.1946 4.7259 4.7259 5.1107 5.1107
5.5546 5.5546 6.5364 6.5364 7.1269 7.1269 7.7711 7.7711
9.6878 9.6878 10.4530 10.4530 10.5574 10.5574 11.6488 11.6488
11.7149 11.7149
k = 0.2263-0.4576-0.8532 ( 5165 PWs) bands (ev):
-26.7505 -26.7505 -13.4088 -13.4088 -13.3987 -13.3987 -13.3839 -13.3839
-13.3744 -13.3744 -12.3910 -12.3910 -12.3780 -12.3780 -12.3654 -12.3654
-12.3471 -12.3471 -12.3317 -12.3317 -12.3184 -12.3184 -9.6375 -9.6375
-8.5480 -8.5480 -8.4789 -8.4789 -2.1656 -2.1656 -1.9572 -1.9572
1.2184 1.2184 2.1198 2.1198 4.7508 4.7508 5.0480 5.0480
5.4743 5.4743 6.5251 6.5251 7.0795 7.0795 7.7089 7.7089
9.7237 9.7237 10.4881 10.4881 10.5733 10.5733 11.7045 11.7045
11.7726 11.7726
k = 0.2330-0.4711-0.8783 ( 5161 PWs) bands (ev):
-26.7502 -26.7502 -13.4089 -13.4089 -13.3984 -13.3984 -13.3836 -13.3836
-13.3746 -13.3746 -12.3913 -12.3913 -12.3774 -12.3774 -12.3649 -12.3649
-12.3476 -12.3476 -12.3316 -12.3316 -12.3187 -12.3187 -9.6390 -9.6390
-8.5494 -8.5494 -8.4814 -8.4814 -2.1142 -2.1142 -1.9254 -1.9254
1.1965 1.1965 2.0472 2.0472 4.7803 4.7803 4.9898 4.9898
5.3965 5.3965 6.5153 6.5153 7.0291 7.0291 7.6475 7.6475
9.7652 9.7652 10.5205 10.5205 10.5913 10.5913 11.7613 11.7613
11.8318 11.8318
k = 0.2397-0.4845-0.9034 ( 5163 PWs) bands (ev):
-26.7498 -26.7498 -13.4090 -13.4090 -13.3981 -13.3981 -13.3834 -13.3834
-13.3749 -13.3749 -12.3915 -12.3915 -12.3767 -12.3767 -12.3644 -12.3644
-12.3481 -12.3481 -12.3314 -12.3314 -12.3190 -12.3190 -9.6405 -9.6405
-8.5506 -8.5506 -8.4838 -8.4838 -2.0647 -2.0647 -1.8945 -1.8945
1.1757 1.1757 1.9770 1.9770 4.8113 4.8113 4.9375 4.9375
5.3226 5.3226 6.5069 6.5069 6.9767 6.9767 7.5870 7.5870
9.8112 9.8112 10.5496 10.5496 10.6110 10.6110 11.8190 11.8190
11.8921 11.8921
k = 0.2463-0.4980-0.9285 ( 5159 PWs) bands (ev):
-26.7495 -26.7495 -13.4092 -13.4092 -13.3977 -13.3977 -13.3832 -13.3832
-13.3751 -13.3751 -12.3918 -12.3918 -12.3761 -12.3761 -12.3640 -12.3640
-12.3487 -12.3487 -12.3312 -12.3312 -12.3193 -12.3193 -9.6419 -9.6419
-8.5516 -8.5516 -8.4862 -8.4862 -2.0173 -2.0173 -1.8648 -1.8648
1.1566 1.1566 1.9094 1.9094 4.8337 4.8337 4.8984 4.8984
5.2552 5.2552 6.5000 6.5000 6.9233 6.9233 7.5275 7.5275
9.8607 9.8607 10.5752 10.5752 10.6314 10.6314 11.8770 11.8770
11.9533 11.9533
k = 0.2530-0.5115-0.9536 ( 5159 PWs) bands (ev):
-26.7492 -26.7492 -13.4093 -13.4093 -13.3974 -13.3974 -13.3830 -13.3830
-13.3753 -13.3753 -12.3920 -12.3920 -12.3755 -12.3755 -12.3635 -12.3635
-12.3492 -12.3492 -12.3310 -12.3310 -12.3197 -12.3197 -9.6431 -9.6431
-8.5525 -8.5525 -8.4885 -8.4885 -1.9726 -1.9726 -1.8364 -1.8364
1.1399 1.1399 1.8443 1.8443 4.8185 4.8185 4.8957 4.8957
5.1998 5.1998 6.4945 6.4945 6.8698 6.8698 7.4691 7.4691
9.9128 9.9128 10.5971 10.5971 10.6512 10.6512 11.9348 11.9348
12.0151 12.0151
k = 0.2596-0.5249-0.9786 ( 5155 PWs) bands (ev):
-26.7490 -26.7490 -13.4094 -13.4094 -13.3971 -13.3971 -13.3828 -13.3828
-13.3755 -13.3755 -12.3923 -12.3923 -12.3750 -12.3750 -12.3630 -12.3630
-12.3498 -12.3498 -12.3308 -12.3308 -12.3201 -12.3201 -9.6442 -9.6442
-8.5531 -8.5531 -8.4908 -8.4908 -1.9308 -1.9308 -1.8095 -1.8095
1.1261 1.1261 1.7819 1.7819 4.7827 4.7827 4.9016 4.9016
5.1666 5.1666 6.4904 6.4904 6.8173 6.8173 7.4120 7.4120
9.9665 9.9665 10.6153 10.6153 10.6697 10.6697 11.9913 11.9913
12.0777 12.0777
k = 0.2663-0.5384-1.0037 ( 5169 PWs) bands (ev):
-26.7487 -26.7487 -13.4096 -13.4096 -13.3968 -13.3968 -13.3826 -13.3826
-13.3757 -13.3757 -12.3925 -12.3925 -12.3744 -12.3744 -12.3625 -12.3625
-12.3503 -12.3503 -12.3306 -12.3306 -12.3204 -12.3204 -9.6452 -9.6452
-8.5535 -8.5535 -8.4931 -8.4931 -1.8924 -1.8924 -1.7841 -1.7841
1.1158 1.1158 1.7222 1.7222 4.7472 4.7472 4.8845 4.8845
5.1657 5.1657 6.4874 6.4874 6.7669 6.7669 7.3563 7.3563
10.0209 10.0209 10.6285 10.6285 10.6868 10.6868 12.0451 12.0451
12.1412 12.1412
k = 0.2729-0.5518-1.0288 ( 5169 PWs) bands (ev):
-26.7485 -26.7485 -13.4097 -13.4097 -13.3965 -13.3965 -13.3824 -13.3824
-13.3759 -13.3759 -12.3927 -12.3927 -12.3739 -12.3739 -12.3620 -12.3620
-12.3508 -12.3508 -12.3304 -12.3304 -12.3208 -12.3208 -9.6461 -9.6461
-8.5537 -8.5537 -8.4953 -8.4953 -1.8576 -1.8576 -1.7606 -1.7606
1.1096 1.1096 1.6652 1.6652 4.7155 4.7155 4.8449 4.8449
5.1928 5.1928 6.4857 6.4857 6.7199 6.7199 7.3021 7.3021
10.0749 10.0749 10.6352 10.6352 10.7034 10.7034 12.0948 12.0948
12.2055 12.2055
k = 0.2796-0.5653-1.0539 ( 5161 PWs) bands (ev):
-26.7483 -26.7483 -13.4098 -13.4098 -13.3963 -13.3963 -13.3823 -13.3823
-13.3760 -13.3760 -12.3930 -12.3930 -12.3734 -12.3734 -12.3614 -12.3614
-12.3514 -12.3514 -12.3302 -12.3302 -12.3212 -12.3212 -9.6469 -9.6469
-8.5537 -8.5537 -8.4974 -8.4974 -1.8268 -1.8268 -1.7388 -1.7388
1.1078 1.1078 1.6109 1.6109 4.6882 4.6882 4.7939 4.7939
5.2348 5.2348 6.4849 6.4849 6.6776 6.6776 7.2497 7.2497
10.1276 10.1276 10.6340 10.6340 10.7201 10.7201 12.1390 12.1390
12.2703 12.2703
k = 0.2863-0.5788-1.0790 ( 5163 PWs) bands (ev):
-26.7482 -26.7482 -13.4099 -13.4099 -13.3960 -13.3960 -13.3822 -13.3822
-13.3762 -13.3762 -12.3932 -12.3932 -12.3730 -12.3730 -12.3609 -12.3609
-12.3519 -12.3519 -12.3300 -12.3300 -12.3215 -12.3215 -9.6475 -9.6475
-8.5536 -8.5536 -8.4995 -8.4995 -1.8002 -1.8002 -1.7190 -1.7190
1.1107 1.1107 1.5593 1.5593 4.6653 4.6653 4.7399 4.7399
5.2825 5.2825 6.4848 6.4848 6.6416 6.6416 7.1992 7.1992
10.1778 10.1778 10.6248 10.6248 10.7370 10.7370 12.1767 12.1767
12.3345 12.3345
k = 0.2929-0.5922-1.1041 ( 5161 PWs) bands (ev):
-26.7480 -26.7480 -13.4100 -13.4100 -13.3958 -13.3958 -13.3820 -13.3820
-13.3764 -13.3764 -12.3933 -12.3933 -12.3727 -12.3727 -12.3603 -12.3603
-12.3524 -12.3524 -12.3298 -12.3298 -12.3219 -12.3219 -9.6481 -9.6481
-8.5533 -8.5533 -8.5014 -8.5014 -1.7779 -1.7779 -1.7013 -1.7013
1.1185 1.1185 1.5104 1.5104 4.6446 4.6446 4.6887 4.6887
5.3308 5.3308 6.4854 6.4854 6.6136 6.6136 7.1508 7.1508
10.2243 10.2243 10.6086 10.6086 10.7535 10.7535 12.2071 12.2071
12.3962 12.3962
k = 0.2996-0.6057-1.1292 ( 5153 PWs) bands (ev):
-26.7479 -26.7479 -13.4101 -13.4101 -13.3956 -13.3956 -13.3819 -13.3819
-13.3765 -13.3765 -12.3935 -12.3935 -12.3724 -12.3724 -12.3598 -12.3598
-12.3529 -12.3529 -12.3297 -12.3297 -12.3222 -12.3222 -9.6485 -9.6485
-8.5529 -8.5529 -8.5032 -8.5032 -1.7600 -1.7600 -1.6856 -1.6856
1.1313 1.1313 1.4641 1.4641 4.6144 4.6144 4.6542 4.6542
5.3760 5.3760 6.4864 6.4864 6.5950 6.5950 7.1048 7.1048
10.2653 10.2653 10.5873 10.5873 10.7689 10.7689 12.2302 12.2302
12.4535 12.4535
k = 0.3062-0.6191-1.1543 ( 5157 PWs) bands (ev):
-26.7478 -26.7478 -13.4101 -13.4101 -13.3955 -13.3955 -13.3818 -13.3818
-13.3766 -13.3766 -12.3936 -12.3936 -12.3721 -12.3721 -12.3593 -12.3593
-12.3533 -12.3533 -12.3295 -12.3295 -12.3225 -12.3225 -9.6489 -9.6489
-8.5524 -8.5524 -8.5048 -8.5048 -1.7465 -1.7465 -1.6720 -1.6720
1.1489 1.1489 1.4203 1.4203 4.5695 4.5695 4.6429 4.6429
5.4154 5.4154 6.4881 6.4881 6.5874 6.5874 7.0615 7.0615
10.2979 10.2979 10.5641 10.5641 10.7825 10.7825 12.2461 12.2461
12.5046 12.5046
k = 0.3129-0.6326-1.1794 ( 5161 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3953 -13.3953 -13.3818 -13.3818
-13.3767 -13.3767 -12.3938 -12.3938 -12.3719 -12.3719 -12.3588 -12.3588
-12.3538 -12.3538 -12.3294 -12.3294 -12.3227 -12.3227 -9.6491 -9.6491
-8.5519 -8.5519 -8.5062 -8.5062 -1.7373 -1.7373 -1.6605 -1.6605
1.1710 1.1710 1.3791 1.3791 4.5234 4.5234 4.6419 4.6419
5.4469 5.4469 6.4902 6.4902 6.5918 6.5918 7.0213 7.0213
10.3176 10.3176 10.5442 10.5442 10.7938 10.7938 12.2554 12.2554
12.5484 12.5484
k = 0.3195-0.6461-1.2045 ( 5165 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3953 -13.3953 -13.3817 -13.3817
-13.3768 -13.3768 -12.3938 -12.3938 -12.3718 -12.3718 -12.3584 -12.3584
-12.3541 -12.3541 -12.3293 -12.3293 -12.3229 -12.3229 -9.6493 -9.6493
-8.5515 -8.5515 -8.5072 -8.5072 -1.7322 -1.7322 -1.6511 -1.6511
1.1975 1.1975 1.3402 1.3402 4.4801 4.4801 4.6480 4.6480
5.4692 5.4692 6.4920 6.4920 6.6092 6.6092 6.9846 6.9846
10.3187 10.3187 10.5340 10.5340 10.8020 10.8020 12.2589 12.2589
12.5826 12.5826
k = 0.3262-0.6595-1.2296 ( 5155 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3939 -12.3939 -12.3717 -12.3717 -12.3582 -12.3582
-12.3543 -12.3543 -12.3293 -12.3293 -12.3230 -12.3230 -9.6494 -9.6494
-8.5511 -8.5511 -8.5079 -8.5079 -1.7310 -1.7310 -1.6437 -1.6437
1.2275 1.2275 1.3038 1.3038 4.4409 4.4409 4.6603 4.6603
5.4819 5.4819 6.4925 6.4925 6.6400 6.6400 6.9522 6.9522
10.2997 10.2997 10.5362 10.5362 10.8067 10.8067 12.2580 12.2580
12.5994 12.5994
k = 0.3329-0.6730-1.2547 ( 5173 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3769 -13.3769 -12.3939 -12.3939 -12.3717 -12.3717 -12.3581 -12.3581
-12.3544 -12.3544 -12.3292 -12.3292 -12.3231 -12.3231 -9.6495 -9.6495
-8.5510 -8.5510 -8.5082 -8.5082 -1.7333 -1.7333 -1.6382 -1.6382
1.2573 1.2573 1.2730 1.2730 4.4063 4.4063 4.6788 4.6788
5.4857 5.4857 6.4907 6.4907 6.6835 6.6835 6.9246 6.9246
10.2653 10.2653 10.5472 10.5472 10.8071 10.8071 12.2539 12.2539
12.5765 12.5765
k = 0.3395-0.6864-1.2798 ( 5169 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3939 -12.3939 -12.3717 -12.3717 -12.3582 -12.3582
-12.3543 -12.3543 -12.3292 -12.3292 -12.3230 -12.3230 -9.6494 -9.6494
-8.5511 -8.5511 -8.5080 -8.5080 -1.7389 -1.7389 -1.6347 -1.6347
1.2351 1.2351 1.2988 1.2988 4.3766 4.3766 4.7034 4.7034
5.4819 5.4819 6.4860 6.4860 6.7370 6.7370 6.9031 6.9031
10.2220 10.2220 10.5616 10.5616 10.8025 10.8025 12.2479 12.2479
12.4927 12.4927
k = 0.6605-0.5695-1.2098 ( 5169 PWs) bands (ev):
-26.7476 -26.7476 -13.4103 -13.4103 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3939 -12.3939 -12.3717 -12.3717 -12.3582 -12.3582
-12.3543 -12.3543 -12.3292 -12.3292 -12.3230 -12.3230 -9.6494 -9.6494
-8.5511 -8.5511 -8.5080 -8.5080 -1.7389 -1.7389 -1.6347 -1.6347
1.2351 1.2351 1.2988 1.2988 4.3766 4.3766 4.7034 4.7034
5.4819 5.4819 6.4860 6.4860 6.7370 6.7370 6.9031 6.9031
10.2220 10.2220 10.5616 10.5616 10.8025 10.8025 12.2479 12.2479
12.4927 12.4927
k = 0.6538-0.5409-1.2098 ( 5167 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3952 -13.3952 -13.3817 -13.3817
-13.3768 -13.3768 -12.3938 -12.3938 -12.3718 -12.3718 -12.3584 -12.3584
-12.3542 -12.3542 -12.3293 -12.3293 -12.3229 -12.3229 -9.6494 -9.6494
-8.5515 -8.5515 -8.5073 -8.5073 -1.7474 -1.7474 -1.6328 -1.6328
1.2047 1.2047 1.3367 1.3367 4.3521 4.3521 4.7341 4.7341
5.4723 5.4723 6.4779 6.4779 6.7957 6.7957 6.8909 6.8909
10.1745 10.1745 10.5762 10.5762 10.7924 10.7924 12.2409 12.2409
12.3649 12.3649
k = 0.6471-0.5123-1.2098 ( 5165 PWs) bands (ev):
-26.7477 -26.7477 -13.4102 -13.4102 -13.3953 -13.3953 -13.3817 -13.3817
-13.3767 -13.3767 -12.3937 -12.3937 -12.3719 -12.3719 -12.3587 -12.3587
-12.3540 -12.3540 -12.3293 -12.3293 -12.3228 -12.3228 -9.6492 -9.6492
-8.5522 -8.5522 -8.5061 -8.5061 -1.7584 -1.7584 -1.6326 -1.6326
1.1757 1.1757 1.3762 1.3762 4.3330 4.3330 4.7706 4.7706
5.4586 5.4586 6.4664 6.4664 6.8383 6.8383 6.9067 6.9067
10.1257 10.1257 10.5893 10.5893 10.7762 10.7762 12.2104 12.2104
12.2408 12.2408
k = 0.6404-0.4837-1.2098 ( 5157 PWs) bands (ev):
-26.7478 -26.7478 -13.4101 -13.4101 -13.3955 -13.3955 -13.3818 -13.3818
-13.3767 -13.3767 -12.3936 -12.3936 -12.3721 -12.3721 -12.3590 -12.3590
-12.3537 -12.3537 -12.3293 -12.3293 -12.3226 -12.3226 -9.6491 -9.6491
-8.5531 -8.5531 -8.5044 -8.5044 -1.7716 -1.7716 -1.6338 -1.6338
1.1484 1.1484 1.4162 1.4162 4.3196 4.3196 4.8130 4.8130
5.4429 5.4429 6.4517 6.4517 6.8454 6.8454 6.9671 6.9671
10.0781 10.0781 10.6001 10.6001 10.7535 10.7535 12.0564 12.0564
12.2324 12.2324
k = 0.6337-0.4551-1.2098 ( 5165 PWs) bands (ev):
-26.7478 -26.7478 -13.4100 -13.4100 -13.3956 -13.3956 -13.3819 -13.3819
-13.3765 -13.3765 -12.3935 -12.3935 -12.3723 -12.3723 -12.3594 -12.3594
-12.3535 -12.3535 -12.3293 -12.3293 -12.3223 -12.3223 -9.6489 -9.6489
-8.5543 -8.5543 -8.5023 -8.5023 -1.7864 -1.7864 -1.6364 -1.6364
1.1226 1.1226 1.4560 1.4560 4.3118 4.3118 4.8609 4.8609
5.4266 5.4266 6.4342 6.4342 6.8448 6.8448 7.0413 7.0413
10.0332 10.0332 10.6084 10.6084 10.7241 10.7241 11.8941 11.8941
12.2300 12.2300
k = 0.6270-0.4265-1.2098 ( 5165 PWs) bands (ev):
-26.7479 -26.7479 -13.4099 -13.4099 -13.3958 -13.3958 -13.3820 -13.3820
-13.3764 -13.3764 -12.3933 -12.3933 -12.3725 -12.3725 -12.3598 -12.3598
-12.3534 -12.3534 -12.3294 -12.3294 -12.3221 -12.3221 -9.6487 -9.6487
-8.5557 -8.5557 -8.4998 -8.4998 -1.8027 -1.8027 -1.6401 -1.6401
1.0983 1.0983 1.4950 1.4950 4.3095 4.3095 4.9143 4.9143
5.4112 5.4112 6.4147 6.4147 6.8451 6.8451 7.1179 7.1179
9.9925 9.9925 10.6137 10.6137 10.6884 10.6884 11.7295 11.7295
12.2306 12.2306
k = 0.6204-0.3979-1.2098 ( 5161 PWs) bands (ev):
-26.7480 -26.7480 -13.4098 -13.4098 -13.3961 -13.3961 -13.3820 -13.3820
-13.3763 -13.3763 -12.3930 -12.3930 -12.3728 -12.3728 -12.3602 -12.3602
-12.3533 -12.3533 -12.3293 -12.3293 -12.3217 -12.3217 -9.6485 -9.6485
-8.5573 -8.5573 -8.4971 -8.4971 -1.8199 -1.8199 -1.6448 -1.6448
1.0754 1.0754 1.5325 1.5325 4.3123 4.3123 4.9728 4.9728
5.3982 5.3982 6.3937 6.3937 6.8470 6.8470 7.1930 7.1930
9.9575 9.9575 10.6135 10.6135 10.6491 10.6491 11.5646 11.5646
12.2343 12.2343
k = 0.6137-0.3693-1.2098 ( 5164 PWs) bands (ev):
-26.7481 -26.7481 -13.4097 -13.4097 -13.3963 -13.3963 -13.3821 -13.3821
-13.3761 -13.3761 -12.3928 -12.3928 -12.3731 -12.3731 -12.3606 -12.3606
-12.3533 -12.3533 -12.3293 -12.3293 -12.3214 -12.3214 -9.6483 -9.6483
-8.5589 -8.5589 -8.4941 -8.4941 -1.8379 -1.8379 -1.6503 -1.6503
1.0539 1.0539 1.5680 1.5680 4.3199 4.3199 5.0362 5.0362
5.3888 5.3888 6.3719 6.3719 6.8500 6.8500 7.2642 7.2642
9.9294 9.9294 10.5857 10.5857 10.6289 10.6289 11.4010 11.4010
12.2411 12.2411
k = 0.6070-0.3407-1.2098 ( 5164 PWs) bands (ev):
-26.7482 -26.7482 -13.4095 -13.4095 -13.3966 -13.3966 -13.3823 -13.3823
-13.3760 -13.3760 -12.3924 -12.3924 -12.3735 -12.3735 -12.3609 -12.3609
-12.3533 -12.3533 -12.3292 -12.3292 -12.3210 -12.3210 -9.6480 -9.6480
-8.5606 -8.5606 -8.4910 -8.4910 -1.8562 -1.8562 -1.6565 -1.6565
1.0336 1.0336 1.6011 1.6011 4.3313 4.3313 5.1042 5.1042
5.3843 5.3843 6.3498 6.3498 6.8534 6.8534 7.3293 7.3293
9.9094 9.9094 10.5324 10.5324 10.6261 10.6261 11.2403 11.2403
12.2508 12.2508
k = 0.6003-0.3121-1.2098 ( 5172 PWs) bands (ev):
-26.7483 -26.7483 -13.4093 -13.4093 -13.3969 -13.3969 -13.3824 -13.3824
-13.3758 -13.3758 -12.3921 -12.3921 -12.3739 -12.3739 -12.3613 -12.3613
-12.3533 -12.3533 -12.3292 -12.3292 -12.3206 -12.3206 -9.6478 -9.6478
-8.5623 -8.5623 -8.4878 -8.4878 -1.8746 -1.8746 -1.6631 -1.6631
1.0146 1.0146 1.6315 1.6315 4.3459 4.3459 5.1764 5.1764
5.3858 5.3858 6.3278 6.3278 6.8565 6.8565 7.3863 7.3863
9.8985 9.8985 10.4713 10.4713 10.6233 10.6233 11.0845 11.0845
12.2633 12.2633
k = 0.5936-0.2835-1.2098 ( 5172 PWs) bands (ev):
-26.7484 -26.7484 -13.4091 -13.4091 -13.3972 -13.3972 -13.3825 -13.3825
-13.3757 -13.3757 -12.3917 -12.3917 -12.3744 -12.3744 -12.3616 -12.3616
-12.3535 -12.3535 -12.3291 -12.3291 -12.3203 -12.3203 -9.6476 -9.6476
-8.5640 -8.5640 -8.4845 -8.4845 -1.8928 -1.8928 -1.6701 -1.6701
0.9968 0.9968 1.6590 1.6590 4.3624 4.3624 5.2522 5.2522
5.3947 5.3947 6.3063 6.3063 6.8586 6.8586 7.4334 7.4334
9.8974 9.8974 10.4053 10.4053 10.6169 10.6169 10.9374 10.9374
12.2780 12.2780
k = 0.5869-0.2549-1.2098 ( 5168 PWs) bands (ev):
-26.7485 -26.7485 -13.4089 -13.4089 -13.3976 -13.3976 -13.3826 -13.3826
-13.3755 -13.3755 -12.3913 -12.3913 -12.3748 -12.3748 -12.3619 -12.3619
-12.3536 -12.3536 -12.3290 -12.3290 -12.3199 -12.3199 -9.6473 -9.6473
-8.5657 -8.5657 -8.4813 -8.4813 -1.9107 -1.9107 -1.6773 -1.6773
0.9802 0.9802 1.6836 1.6836 4.3799 4.3799 5.3307 5.3307
5.4124 5.4124 6.2856 6.2856 6.8591 6.8591 7.4690 7.4690
9.9062 9.9062 10.3359 10.3359 10.5986 10.5986 10.8086 10.8086
12.2946 12.2946
k = 0.5802-0.2263-1.2098 ( 5172 PWs) bands (ev):
-26.7486 -26.7486 -13.4086 -13.4086 -13.3980 -13.3980 -13.3827 -13.3827
-13.3754 -13.3754 -12.3909 -12.3909 -12.3754 -12.3754 -12.3622 -12.3622
-12.3538 -12.3538 -12.3288 -12.3288 -12.3195 -12.3195 -9.6471 -9.6471
-8.5673 -8.5673 -8.4780 -8.4780 -1.9280 -1.9280 -1.6845 -1.6845
0.9648 0.9648 1.7051 1.7051 4.3971 4.3971 5.4081 5.4081
5.4430 5.4430 6.2659 6.2659 6.8573 6.8573 7.4920 7.4920
9.9243 9.9243 10.2646 10.2646 10.5440 10.5440 10.7243 10.7243
12.3123 12.3123
k = 0.5736-0.1977-1.2098 ( 5172 PWs) bands (ev):
-26.7487 -26.7487 -13.4084 -13.4084 -13.3984 -13.3984 -13.3827 -13.3827
-13.3753 -13.3753 -12.3904 -12.3904 -12.3759 -12.3759 -12.3624 -12.3624
-12.3541 -12.3541 -12.3287 -12.3287 -12.3191 -12.3191 -9.6469 -9.6469
-8.5689 -8.5689 -8.4749 -8.4749 -1.9445 -1.9445 -1.6916 -1.6916
0.9506 0.9506 1.7238 1.7238 4.4132 4.4132 5.4635 5.4635
5.5075 5.5075 6.2474 6.2474 6.8526 6.8526 7.5015 7.5015
9.9496 9.9496 10.1939 10.1939 10.4445 10.4445 10.6956 10.6956
12.3306 12.3306
k = 0.5669-0.1691-1.2098 ( 5170 PWs) bands (ev):
-26.7488 -26.7488 -13.4081 -13.4081 -13.3987 -13.3987 -13.3828 -13.3828
-13.3751 -13.3751 -12.3899 -12.3899 -12.3764 -12.3764 -12.3626 -12.3626
-12.3543 -12.3543 -12.3286 -12.3286 -12.3187 -12.3187 -9.6468 -9.6468
-8.5704 -8.5704 -8.4719 -8.4719 -1.9601 -1.9601 -1.6985 -1.6985
0.9376 0.9376 1.7398 1.7398 4.4274 4.4274 5.5099 5.5099
5.5920 5.5920 6.2302 6.2302 6.8445 6.8445 7.4976 7.4976
9.9760 9.9760 10.1289 10.1289 10.3319 10.3319 10.6932 10.6932
12.3489 12.3489
k = 0.5602-0.1405-1.2098 ( 5172 PWs) bands (ev):
-26.7489 -26.7489 -13.4078 -13.4078 -13.3991 -13.3991 -13.3829 -13.3829
-13.3750 -13.3750 -12.3894 -12.3894 -12.3770 -12.3770 -12.3628 -12.3628
-12.3546 -12.3546 -12.3285 -12.3285 -12.3183 -12.3183 -9.6466 -9.6466
-8.5717 -8.5717 -8.4691 -8.4691 -1.9746 -1.9746 -1.7050 -1.7050
0.9257 0.9257 1.7533 1.7533 4.4393 4.4393 5.5627 5.5627
5.6800 5.6800 6.2145 6.2145 6.8324 6.8324 7.4806 7.4806
9.9817 9.9817 10.0879 10.0879 10.2258 10.2258 10.7023 10.7023
12.3666 12.3666
k = 0.5535-0.1119-1.2098 ( 5178 PWs) bands (ev):
-26.7490 -26.7490 -13.4075 -13.4075 -13.3995 -13.3995 -13.3830 -13.3830
-13.3749 -13.3749 -12.3889 -12.3889 -12.3776 -12.3776 -12.3629 -12.3629
-12.3548 -12.3548 -12.3284 -12.3284 -12.3180 -12.3180 -9.6465 -9.6465
-8.5730 -8.5730 -8.4664 -8.4664 -1.9879 -1.9879 -1.7112 -1.7112
0.9151 0.9151 1.7645 1.7645 4.4489 4.4489 5.6225 5.6225
5.7694 5.7694 6.2004 6.2004 6.8159 6.8159 7.4516 7.4516
9.9419 9.9419 10.0720 10.0720 10.1535 10.1535 10.7201 10.7201
12.3829 12.3829
k = 0.5468-0.0833-1.2098 ( 5178 PWs) bands (ev):
-26.7491 -26.7491 -13.4072 -13.4072 -13.3999 -13.3999 -13.3831 -13.3831
-13.3748 -13.3748 -12.3883 -12.3883 -12.3782 -12.3782 -12.3630 -12.3630
-12.3551 -12.3551 -12.3283 -12.3283 -12.3177 -12.3177 -9.6463 -9.6463
-8.5741 -8.5741 -8.4640 -8.4640 -1.9999 -1.9999 -1.7168 -1.7168
0.9056 0.9056 1.7737 1.7737 4.4562 4.4562 5.6879 5.6879
5.8590 5.8590 6.1879 6.1879 6.7945 6.7945 7.4121 7.4121
9.8847 9.8847 10.0050 10.0050 10.1633 10.1633 10.7459 10.7459
12.3975 12.3975
k = 0.5401-0.0547-1.2098 ( 5184 PWs) bands (ev):
-26.7491 -26.7491 -13.4069 -13.4069 -13.4003 -13.4003 -13.3831 -13.3831
-13.3747 -13.3747 -12.3877 -12.3877 -12.3789 -12.3789 -12.3631 -12.3631
-12.3553 -12.3553 -12.3282 -12.3282 -12.3174 -12.3174 -9.6462 -9.6462
-8.5751 -8.5751 -8.4619 -8.4619 -2.0104 -2.0104 -1.7218 -1.7218
0.8974 0.8974 1.7811 1.7811 4.4615 4.4615 5.7567 5.7567
5.9479 5.9479 6.1775 6.1775 6.7679 6.7679 7.3643 7.3643
9.8277 9.8277 9.9279 9.9279 10.1961 10.1961 10.7796 10.7796
12.4098 12.4098
k = 0.5334-0.0261-1.2098 ( 5180 PWs) bands (ev):
-26.7492 -26.7492 -13.4066 -13.4066 -13.4007 -13.4007 -13.3832 -13.3832
-13.3746 -13.3746 -12.3871 -12.3871 -12.3795 -12.3795 -12.3632 -12.3632
-12.3556 -12.3556 -12.3281 -12.3281 -12.3172 -12.3172 -9.6461 -9.6461
-8.5760 -8.5760 -8.4601 -8.4601 -2.0195 -2.0195 -1.7262 -1.7262
0.8905 0.8905 1.7869 1.7869 4.4652 4.4652 5.8262 5.8262
6.0345 6.0345 6.1696 6.1696 6.7361 6.7361 7.3110 7.3110
9.7759 9.7759 9.8597 9.8597 10.2277 10.2277 10.8197 10.8197
12.4194 12.4194
k = 0.5267 0.0025-1.2098 ( 5180 PWs) bands (ev):
-26.7493 -26.7493 -13.4064 -13.4064 -13.4011 -13.4011 -13.3832 -13.3832
-13.3745 -13.3745 -12.3866 -12.3866 -12.3801 -12.3801 -12.3632 -12.3632
-12.3557 -12.3557 -12.3280 -12.3280 -12.3170 -12.3170 -9.6460 -9.6460
-8.5767 -8.5767 -8.4585 -8.4585 -2.0270 -2.0270 -1.7299 -1.7299
0.8847 0.8847 1.7914 1.7914 4.4676 4.4676 5.8929 5.8929
6.1128 6.1128 6.1694 6.1694 6.6990 6.6990 7.2560 7.2560
9.7314 9.7314 9.8030 9.8030 10.2538 10.2538 10.8633 10.8633
12.4261 12.4261
k = 0.5201 0.0311-1.2098 ( 5174 PWs) bands (ev):
-26.7493 -26.7493 -13.4061 -13.4061 -13.4014 -13.4014 -13.3833 -13.3833
-13.3745 -13.3745 -12.3860 -12.3860 -12.3807 -12.3807 -12.3633 -12.3633
-12.3559 -12.3559 -12.3279 -12.3279 -12.3168 -12.3168 -9.6460 -9.6460
-8.5773 -8.5773 -8.4573 -8.4573 -2.0329 -2.0329 -1.7328 -1.7328
0.8803 0.8803 1.7947 1.7947 4.4691 4.4691 5.9528 5.9528
6.1441 6.1441 6.2139 6.2139 6.6573 6.6573 7.2036 7.2036
9.6954 9.6954 9.7586 9.7586 10.2735 10.2735 10.9058 10.9058
12.4300 12.4300
k = 0.5134 0.0597-1.2098 ( 5176 PWs) bands (ev):
-26.7493 -26.7493 -13.4059 -13.4059 -13.4016 -13.4016 -13.3833 -13.3833
-13.3744 -13.3744 -12.3856 -12.3856 -12.3812 -12.3812 -12.3633 -12.3633
-12.3560 -12.3560 -12.3279 -12.3279 -12.3167 -12.3167 -9.6459 -9.6459
-8.5777 -8.5777 -8.4564 -8.4564 -2.0371 -2.0371 -1.7349 -1.7349
0.8771 0.8771 1.7970 1.7970 4.4700 4.4700 6.0008 6.0008
6.1447 6.1447 6.2837 6.2837 6.6130 6.6130 7.1596 7.1596
9.6691 9.6691 9.7269 9.7269 10.2869 10.2869 10.9419 10.9419
12.4316 12.4316
k = 0.5067 0.0883-1.2098 ( 5184 PWs) bands (ev):
-26.7493 -26.7493 -13.4058 -13.4058 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3852 -12.3852 -12.3815 -12.3815 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5779 -8.5779 -8.4559 -8.4559 -2.0397 -2.0397 -1.7361 -1.7361
0.8752 0.8752 1.7983 1.7983 4.4705 4.4705 6.0320 6.0320
6.1439 6.1439 6.3424 6.3424 6.5718 6.5718 7.1297 7.1297
9.6530 9.6530 9.7078 9.7078 10.2946 10.2946 10.9661 10.9661
12.4317 12.4317
k = 0.5000 0.1169-1.2098 ( 5194 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -2.0406 -2.0406 -1.7366 -1.7366
0.8745 0.8745 1.7987 1.7987 4.4706 4.4706 6.0428 6.0428
6.1436 6.1436 6.3684 6.3684 6.5520 6.5520 7.1191 7.1191
9.6476 9.6476 9.7014 9.7014 10.2971 10.2971 10.9747 10.9747
12.4316 12.4316
k = 0.5000 0.1169-1.2098 ( 5194 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -2.0406 -2.0406 -1.7366 -1.7366
0.8745 0.8745 1.7987 1.7987 4.4706 4.4706 6.0428 6.0428
6.1436 6.1436 6.3684 6.3684 6.5520 6.5520 7.1191 7.1191
9.6476 9.6476 9.7014 9.7014 10.2971 10.2971 10.9747 10.9747
12.4316 12.4316
k = 0.5229 0.1223-1.1998 ( 5184 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -2.0403 -2.0403 -1.7371 -1.7371
0.8739 0.8739 1.8003 1.8003 4.4709 4.4709 6.0405 6.0405
6.1435 6.1435 6.3710 6.3710 6.5401 6.5401 7.1323 7.1323
9.6389 9.6389 9.7085 9.7085 10.3006 10.3006 10.9696 10.9696
12.4384 12.4384
k = 0.5459 0.1276-1.1898 ( 5187 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -2.0395 -2.0395 -1.7389 -1.7389
0.8721 0.8721 1.8050 1.8050 4.4716 4.4716 6.0337 6.0337
6.1432 6.1432 6.3787 6.3787 6.5077 6.5077 7.1688 7.1688
9.6184 9.6184 9.7247 9.7247 10.3105 10.3105 10.9547 10.9547
12.4579 12.4579
k = 0.5688 0.1330-1.1798 ( 5191 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6459 -9.6459
-8.5779 -8.5779 -8.4557 -8.4557 -2.0381 -2.0381 -1.7419 -1.7419
0.8692 0.8692 1.8128 1.8128 4.4729 4.4729 6.0229 6.0229
6.1428 6.1428 6.3905 6.3905 6.4616 6.4616 7.2218 7.2218
9.5912 9.5912 9.7459 9.7459 10.3260 10.3260 10.9310 10.9310
12.4869 12.4869
k = 0.5917 0.1383-1.1698 ( 5192 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6458 -9.6458
-8.5779 -8.5779 -8.4557 -8.4557 -2.0362 -2.0362 -1.7460 -1.7460
0.8655 0.8655 1.8232 1.8232 4.4747 4.4747 6.0086 6.0086
6.1424 6.1424 6.4003 6.4003 6.4136 6.4136 7.2849 7.2849
9.5592 9.5592 9.7717 9.7717 10.3455 10.3455 10.9001 10.9001
12.5170 12.5170
k = 0.6146 0.1437-1.1599 ( 5184 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6458 -9.6458
-8.5778 -8.5778 -8.4557 -8.4557 -2.0337 -2.0337 -1.7513 -1.7513
0.8611 0.8611 1.8361 1.8361 4.4767 4.4767 5.9916 5.9916
6.1419 6.1419 6.3502 6.3502 6.4254 6.4254 7.3538 7.3538
9.5235 9.5235 9.8023 9.8023 10.3676 10.3676 10.8639 10.8639
12.5270 12.5270
k = 0.6376 0.1491-1.1499 ( 5177 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3634 -12.3634
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6457 -9.6457
-8.5777 -8.5777 -8.4557 -8.4557 -2.0308 -2.0308 -1.7577 -1.7577
0.8562 0.8562 1.8510 1.8510 4.4791 4.4791 5.9721 5.9721
6.1414 6.1414 6.2947 6.2947 6.4450 6.4450 7.4254 7.4254
9.4855 9.4855 9.8378 9.8378 10.3911 10.3911 10.8241 10.8241
12.4934 12.4934
k = 0.6605 0.1544-1.1399 ( 5180 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3634 -12.3634
-12.3560 -12.3560 -12.3279 -12.3279 -12.3166 -12.3166 -9.6457 -9.6457
-8.5776 -8.5776 -8.4557 -8.4557 -2.0274 -2.0274 -1.7652 -1.7652
0.8512 0.8512 1.8676 1.8676 4.4817 4.4817 5.9506 5.9506
6.1405 6.1405 6.2421 6.2421 6.4659 6.4659 7.4976 7.4976
9.4461 9.4461 9.8782 9.8782 10.4148 10.4148 10.7824 10.7824
12.4282 12.4282
k = 0.6605 0.1544-1.1399 ( 5180 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3634 -12.3634
-12.3560 -12.3560 -12.3279 -12.3279 -12.3166 -12.3166 -9.6457 -9.6457
-8.5776 -8.5776 -8.4557 -8.4557 -2.0274 -2.0274 -1.7652 -1.7652
0.8512 0.8512 1.8676 1.8676 4.4817 4.4817 5.9506 5.9506
6.1405 6.1405 6.2421 6.2421 6.4659 6.4659 7.4976 7.4976
9.4461 9.4461 9.8782 9.8782 10.4148 10.4148 10.7824 10.7824
12.4282 12.4282
k = 0.6567 0.1535-1.1111 ( 5180 PWs) bands (ev):
-26.7495 -26.7495 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3852 -12.3852 -12.3817 -12.3817 -12.3635 -12.3635
-12.3558 -12.3558 -12.3279 -12.3279 -12.3166 -12.3166 -9.6453 -9.6453
-8.5769 -8.5769 -8.4556 -8.4556 -2.0371 -2.0371 -1.7762 -1.7762
0.8591 0.8591 1.8908 1.8908 4.4770 4.4770 5.9475 5.9475
6.1525 6.1525 6.2246 6.2246 6.4754 6.4754 7.5329 7.5329
9.4394 9.4394 9.9061 9.9061 10.4064 10.4064 10.7648 10.7648
12.4303 12.4303
k = 0.6528 0.1526-1.0823 ( 5177 PWs) bands (ev):
-26.7496 -26.7496 -13.4058 -13.4058 -13.4018 -13.4018 -13.3834 -13.3834
-13.3744 -13.3744 -12.3853 -12.3853 -12.3817 -12.3817 -12.3637 -12.3637
-12.3555 -12.3555 -12.3280 -12.3280 -12.3166 -12.3166 -9.6447 -9.6447
-8.5759 -8.5759 -8.4556 -8.4556 -2.0514 -2.0514 -1.7921 -1.7921
0.8725 0.8725 1.9210 1.9210 4.4736 4.4736 5.9452 5.9452
6.1464 6.1464 6.2302 6.2302 6.4870 6.4870 7.5700 7.5700
9.4348 9.4348 9.9387 9.9387 10.4025 10.4025 10.7472 10.7472
12.4294 12.4294
k = 0.6490 0.1517-1.0535 ( 5180 PWs) bands (ev):
-26.7497 -26.7497 -13.4058 -13.4058 -13.4018 -13.4018 -13.3835 -13.3835
-13.3743 -13.3743 -12.3855 -12.3855 -12.3818 -12.3818 -12.3639 -12.3639
-12.3551 -12.3551 -12.3281 -12.3281 -12.3165 -12.3165 -9.6439 -9.6439
-8.5747 -8.5747 -8.4555 -8.4555 -2.0699 -2.0699 -1.8126 -1.8126
0.8911 0.8911 1.9579 1.9579 4.4720 4.4720 5.9421 5.9421
6.1280 6.1280 6.2543 6.2543 6.5008 6.5008 7.6086 7.6086
9.4324 9.4324 9.9758 9.9758 10.4033 10.4033 10.7297 10.7297
12.4258 12.4258
k = 0.6452 0.1508-1.0246 ( 5166 PWs) bands (ev):
-26.7499 -26.7499 -13.4059 -13.4059 -13.4018 -13.4018 -13.3836 -13.3836
-13.3742 -13.3742 -12.3856 -12.3856 -12.3818 -12.3818 -12.3642 -12.3642
-12.3546 -12.3546 -12.3283 -12.3283 -12.3165 -12.3165 -9.6430 -9.6430
-8.5731 -8.5731 -8.4554 -8.4554 -2.0924 -2.0924 -1.8376 -1.8376
0.9142 0.9142 2.0011 2.0011 4.4728 4.4728 5.9364 5.9364
6.1092 6.1092 6.2864 6.2864 6.5166 6.5166 7.6485 7.6485
9.4321 9.4321 10.0174 10.0174 10.4090 10.4090 10.7123 10.7123
12.4197 12.4197
k = 0.6414 0.1499-0.9958 ( 5165 PWs) bands (ev):
-26.7501 -26.7501 -13.4060 -13.4060 -13.4018 -13.4018 -13.3837 -13.3837
-13.3741 -13.3741 -12.3858 -12.3858 -12.3819 -12.3819 -12.3645 -12.3645
-12.3540 -12.3540 -12.3284 -12.3284 -12.3164 -12.3164 -9.6419 -9.6419
-8.5712 -8.5712 -8.4553 -8.4553 -2.1183 -2.1183 -1.8666 -1.8666
0.9414 0.9414 2.0503 2.0503 4.4764 4.4764 5.9257 5.9257
6.0958 6.0958 6.3234 6.3234 6.5344 6.5344 7.6895 7.6895
9.4341 9.4341 10.0633 10.0633 10.4198 10.4198 10.6949 10.6949
12.4114 12.4114
k = 0.6376 0.1491-0.9670 ( 5164 PWs) bands (ev):
-26.7504 -26.7504 -13.4061 -13.4061 -13.4018 -13.4018 -13.3839 -13.3839
-13.3741 -13.3741 -12.3860 -12.3860 -12.3819 -12.3819 -12.3648 -12.3648
-12.3534 -12.3534 -12.3286 -12.3286 -12.3164 -12.3164 -9.6406 -9.6406
-8.5691 -8.5691 -8.4551 -8.4551 -2.1475 -2.1475 -1.8991 -1.8991
0.9720 0.9720 2.1050 2.1050 4.4835 4.4835 5.9083 5.9083
6.0902 6.0902 6.3641 6.3641 6.5542 6.5542 7.7313 7.7313
9.4381 9.4381 10.1134 10.1134 10.4357 10.4357 10.6777 10.6777
12.4011 12.4011
k = 0.6337 0.1482-0.9382 ( 5161 PWs) bands (ev):
-26.7506 -26.7506 -13.4062 -13.4062 -13.4018 -13.4018 -13.3840 -13.3840
-13.3739 -13.3739 -12.3863 -12.3863 -12.3820 -12.3820 -12.3652 -12.3652
-12.3528 -12.3528 -12.3288 -12.3288 -12.3164 -12.3164 -9.6392 -9.6392
-8.5668 -8.5668 -8.4549 -8.4549 -2.1794 -2.1794 -1.9349 -1.9349
1.0051 1.0051 2.1648 2.1648 4.4946 4.4946 5.8843 5.8843
6.0928 6.0928 6.4081 6.4081 6.5761 6.5761 7.7739 7.7739
9.4440 9.4440 10.1674 10.1674 10.4566 10.4566 10.6608 10.6608
12.3890 12.3890
k = 0.6299 0.1473-0.9094 ( 5154 PWs) bands (ev):
-26.7509 -26.7509 -13.4063 -13.4063 -13.4018 -13.4018 -13.3842 -13.3842
-13.3738 -13.3738 -12.3865 -12.3865 -12.3822 -12.3822 -12.3655 -12.3655
-12.3521 -12.3521 -12.3289 -12.3289 -12.3163 -12.3163 -9.6377 -9.6377
-8.5642 -8.5642 -8.4546 -8.4546 -2.2138 -2.2138 -1.9733 -1.9733
1.0401 1.0401 2.2293 2.2293 4.5101 4.5101 5.8554 5.8554
6.1021 6.1021 6.4553 6.4553 6.5999 6.5999 7.8170 7.8170
9.4515 9.4515 10.2252 10.2252 10.4819 10.4819 10.6444 10.6444
12.3754 12.3754
k = 0.6261 0.1464-0.8806 ( 5160 PWs) bands (ev):
-26.7513 -26.7513 -13.4064 -13.4064 -13.4018 -13.4018 -13.3844 -13.3844
-13.3737 -13.3737 -12.3868 -12.3868 -12.3823 -12.3823 -12.3659 -12.3659
-12.3513 -12.3513 -12.3291 -12.3291 -12.3163 -12.3163 -9.6360 -9.6360
-8.5614 -8.5614 -8.4541 -8.4541 -2.2502 -2.2502 -2.0140 -2.0140
1.0763 1.0763 2.2979 2.2979 4.5306 4.5306 5.8233 5.8233
6.1167 6.1167 6.5053 6.5053 6.6257 6.6257 7.8606 7.8606
9.4603 9.4603 10.2864 10.2864 10.5109 10.5109 10.6291 10.6291
12.3604 12.3604
k = 0.6223 0.1455-0.8518 ( 5167 PWs) bands (ev):
-26.7516 -26.7516 -13.4065 -13.4065 -13.4018 -13.4018 -13.3846 -13.3846
-13.3736 -13.3736 -12.3870 -12.3870 -12.3824 -12.3824 -12.3663 -12.3663
-12.3506 -12.3506 -12.3293 -12.3293 -12.3163 -12.3163 -9.6342 -9.6342
-8.5585 -8.5585 -8.4536 -8.4536 -2.2882 -2.2882 -2.0567 -2.0567
1.1129 1.1129 2.3703 2.3703 4.5566 4.5566 5.7895 5.7895
6.1355 6.1355 6.5581 6.5581 6.6536 6.6536 7.9047 7.9047
9.4700 9.4700 10.3508 10.3508 10.5408 10.5408 10.6173 10.6173
12.3440 12.3440
k = 0.6185 0.1446-0.8230 ( 5173 PWs) bands (ev):
-26.7520 -26.7520 -13.4067 -13.4067 -13.4018 -13.4018 -13.3849 -13.3849
-13.3734 -13.3734 -12.3873 -12.3873 -12.3826 -12.3826 -12.3667 -12.3667
-12.3498 -12.3498 -12.3295 -12.3295 -12.3163 -12.3163 -9.6323 -9.6323
-8.5554 -8.5554 -8.4530 -8.4530 -2.3276 -2.3276 -2.1008 -2.1008
1.1494 1.1494 2.4458 2.4458 4.5883 4.5883 5.7550 5.7550
6.1576 6.1576 6.6132 6.6132 6.6837 6.6837 7.9490 7.9490
9.4803 9.4803 10.4177 10.4177 10.5610 10.5610 10.6194 10.6194
12.3260 12.3260
k = 0.6146 0.1437-0.7942 ( 5172 PWs) bands (ev):
-26.7524 -26.7524 -13.4068 -13.4068 -13.4018 -13.4018 -13.3851 -13.3851
-13.3733 -13.3733 -12.3875 -12.3875 -12.3827 -12.3827 -12.3672 -12.3672
-12.3490 -12.3490 -12.3296 -12.3296 -12.3163 -12.3163 -9.6304 -9.6304
-8.5522 -8.5522 -8.4521 -8.4521 -2.3679 -2.3679 -2.1460 -2.1460
1.1850 1.1850 2.5241 2.5241 4.6261 4.6261 5.7207 5.7207
6.1825 6.1825 6.6695 6.6695 6.7172 6.7172 7.9937 7.9937
9.4907 9.4907 10.4849 10.4849 10.5615 10.5615 10.6466 10.6466
12.3062 12.3062
k = 0.6108 0.1428-0.7654 ( 5172 PWs) bands (ev):
-26.7528 -26.7528 -13.4070 -13.4070 -13.4017 -13.4017 -13.3854 -13.3854
-13.3732 -13.3732 -12.3878 -12.3878 -12.3829 -12.3829 -12.3676 -12.3676
-12.3482 -12.3482 -12.3297 -12.3297 -12.3163 -12.3163 -9.6283 -9.6283
-8.5490 -8.5490 -8.4511 -8.4511 -2.4089 -2.4089 -2.1920 -2.1920
1.2193 1.2193 2.6044 2.6044 4.6703 4.6703 5.6875 5.6875
6.2099 6.2099 6.7231 6.7231 6.7578 6.7578 8.0387 8.0387
9.5008 9.5008 10.5285 10.5285 10.5776 10.5776 10.6858 10.6858
12.2841 12.2841
k = 0.6070 0.1419-0.7366 ( 5172 PWs) bands (ev):
-26.7533 -26.7533 -13.4071 -13.4071 -13.4017 -13.4017 -13.3856 -13.3856
-13.3730 -13.3730 -12.3880 -12.3880 -12.3831 -12.3831 -12.3681 -12.3681
-12.3474 -12.3474 -12.3298 -12.3298 -12.3163 -12.3163 -9.6262 -9.6262
-8.5457 -8.5457 -8.4499 -8.4499 -2.4503 -2.4503 -2.2386 -2.2386
1.2518 1.2518 2.6863 2.6863 4.7209 4.7209 5.6560 5.6560
6.2396 6.2396 6.7674 6.7674 6.8118 6.8118 8.0841 8.0841
9.5102 9.5102 10.5214 10.5214 10.6436 10.6436 10.7283 10.7283
12.2595 12.2595
k = 0.6032 0.1410-0.7078 ( 5168 PWs) bands (ev):
-26.7537 -26.7537 -13.4073 -13.4073 -13.4016 -13.4016 -13.3859 -13.3859
-13.3729 -13.3729 -12.3883 -12.3883 -12.3832 -12.3832 -12.3686 -12.3686
-12.3466 -12.3466 -12.3299 -12.3299 -12.3164 -12.3164 -9.6240 -9.6240
-8.5425 -8.5425 -8.4484 -8.4484 -2.4918 -2.4918 -2.2853 -2.2853
1.2822 1.2822 2.7692 2.7692 4.7781 4.7781 5.6271 5.6271
6.2714 6.2714 6.8062 6.8062 6.8755 6.8755 8.1298 8.1298
9.5186 9.5186 10.5062 10.5062 10.7181 10.7181 10.7709 10.7709
12.2316 12.2316
k = 0.5993 0.1401-0.6790 ( 5166 PWs) bands (ev):
-26.7542 -26.7542 -13.4075 -13.4075 -13.4016 -13.4016 -13.3862 -13.3862
-13.3727 -13.3727 -12.3885 -12.3885 -12.3834 -12.3834 -12.3691 -12.3691
-12.3459 -12.3459 -12.3300 -12.3300 -12.3164 -12.3164 -9.6218 -9.6218
-8.5393 -8.5393 -8.4467 -8.4467 -2.5332 -2.5332 -2.3320 -2.3320
1.3102 1.3102 2.8522 2.8522 4.8418 4.8418 5.6015 5.6015
6.3051 6.3051 6.8441 6.8441 6.9437 6.9437 8.1759 8.1759
9.5257 9.5257 10.4897 10.4897 10.7917 10.7917 10.8139 10.8139
12.2004 12.2004
k = 0.5955 0.1392-0.6502 ( 5171 PWs) bands (ev):
-26.7546 -26.7546 -13.4077 -13.4077 -13.4015 -13.4015 -13.3865 -13.3865
-13.3726 -13.3726 -12.3887 -12.3887 -12.3835 -12.3835 -12.3697 -12.3697
-12.3451 -12.3451 -12.3300 -12.3300 -12.3165 -12.3165 -9.6196 -9.6196
-8.5363 -8.5363 -8.4447 -8.4447 -2.5742 -2.5742 -2.3784 -2.3784
1.3357 1.3357 2.9348 2.9348 4.9118 4.9118 5.5800 5.5800
6.3405 6.3405 6.8825 6.8825 7.0151 7.0151 8.2224 8.2224
9.5311 9.5311 10.4729 10.4729 10.8398 10.8398 10.8783 10.8783
12.1657 12.1657
k = 0.5917 0.1383-0.6214 ( 5175 PWs) bands (ev):
-26.7551 -26.7551 -13.4079 -13.4079 -13.4015 -13.4015 -13.3869 -13.3869
-13.3724 -13.3724 -12.3890 -12.3890 -12.3837 -12.3837 -12.3702 -12.3702
-12.3443 -12.3443 -12.3300 -12.3300 -12.3166 -12.3166 -9.6174 -9.6174
-8.5334 -8.5334 -8.4424 -8.4424 -2.6147 -2.6147 -2.4243 -2.4243
1.3585 1.3585 3.0162 3.0162 4.9881 4.9881 5.5636 5.5636
6.3775 6.3775 6.9216 6.9216 7.0891 7.0891 8.2693 8.2693
9.5346 9.5346 10.4561 10.4561 10.8682 10.8682 10.9552 10.9552
12.1273 12.1273
k = 0.5879 0.1374-0.5926 ( 5172 PWs) bands (ev):
-26.7556 -26.7556 -13.4081 -13.4081 -13.4014 -13.4014 -13.3872 -13.3872
-13.3722 -13.3722 -12.3892 -12.3892 -12.3838 -12.3838 -12.3708 -12.3708
-12.3436 -12.3436 -12.3299 -12.3299 -12.3167 -12.3167 -9.6152 -9.6152
-8.5306 -8.5306 -8.4398 -8.4398 -2.6545 -2.6545 -2.4695 -2.4695
1.3787 1.3787 3.0954 3.0954 5.0702 5.0702 5.5532 5.5532
6.4160 6.4160 6.9615 6.9615 7.1653 7.1653 8.3167 8.3167
9.5359 9.5359 10.4396 10.4396 10.8862 10.8862 11.0323 11.0323
12.0846 12.0846
k = 0.5841 0.1365-0.5638 ( 5178 PWs) bands (ev):
-26.7561 -26.7561 -13.4083 -13.4083 -13.4013 -13.4013 -13.3875 -13.3875
-13.3721 -13.3721 -12.3894 -12.3894 -12.3840 -12.3840 -12.3714 -12.3714
-12.3429 -12.3429 -12.3298 -12.3298 -12.3168 -12.3168 -9.6130 -9.6130
-8.5281 -8.5281 -8.4369 -8.4369 -2.6934 -2.6934 -2.5139 -2.5139
1.3962 1.3962 3.1717 3.1717 5.1578 5.1578 5.5497 5.5497
6.4559 6.4559 7.0021 7.0021 7.2434 7.2434 8.3643 8.3643
9.5350 9.5350 10.4236 10.4236 10.8926 10.8926 11.1080 11.1080
12.0366 12.0366
k = 0.5802 0.1357-0.5350 ( 5176 PWs) bands (ev):
-26.7566 -26.7566 -13.4084 -13.4084 -13.4012 -13.4012 -13.3879 -13.3879
-13.3719 -13.3719 -12.3896 -12.3896 -12.3841 -12.3841 -12.3720 -12.3720
-12.3422 -12.3422 -12.3297 -12.3297 -12.3170 -12.3170 -9.6108 -9.6108
-8.5258 -8.5258 -8.4337 -8.4337 -2.7314 -2.7314 -2.5572 -2.5572
1.4113 1.4113 3.2440 3.2440 5.2506 5.2506 5.5541 5.5541
6.4969 6.4969 7.0431 7.0431 7.3232 7.3232 8.4122 8.4122
9.5317 9.5317 10.4082 10.4082 10.8862 10.8862 11.1812 11.1812
11.9827 11.9827
k = 0.5764 0.1348-0.5062 ( 5176 PWs) bands (ev):
-26.7571 -26.7571 -13.4086 -13.4086 -13.4011 -13.4011 -13.3883 -13.3883
-13.3718 -13.3718 -12.3898 -12.3898 -12.3842 -12.3842 -12.3726 -12.3726
-12.3416 -12.3416 -12.3295 -12.3295 -12.3171 -12.3171 -9.6087 -9.6087
-8.5237 -8.5237 -8.4303 -8.4303 -2.7681 -2.7681 -2.5994 -2.5994
1.4239 1.4239 3.3116 3.3116 5.3480 5.3480 5.5675 5.5675
6.5390 6.5390 7.0845 7.0845 7.4044 7.4044 8.4600 8.4600
9.5262 9.5262 10.3936 10.3936 10.8661 10.8661 11.2503 11.2503
11.9229 11.9229
k = 0.5726 0.1339-0.4773 ( 5176 PWs) bands (ev):
-26.7576 -26.7576 -13.4088 -13.4088 -13.4009 -13.4009 -13.3886 -13.3886
-13.3717 -13.3717 -12.3899 -12.3899 -12.3843 -12.3843 -12.3733 -12.3733
-12.3410 -12.3410 -12.3293 -12.3293 -12.3173 -12.3173 -9.6066 -9.6066
-8.5218 -8.5218 -8.4266 -8.4266 -2.8036 -2.8036 -2.6403 -2.6403
1.4344 1.4344 3.3737 3.3737 5.4494 5.4494 5.5906 5.5906
6.5819 6.5819 7.1260 7.1260 7.4864 7.4864 8.5075 8.5075
9.5185 9.5185 10.3799 10.3799 10.8316 10.8316 11.3135 11.3135
11.8597 11.8597
k = 0.5688 0.1330-0.4485 ( 5170 PWs) bands (ev):
-26.7581 -26.7581 -13.4090 -13.4090 -13.4008 -13.4008 -13.3890 -13.3890
-13.3715 -13.3715 -12.3901 -12.3901 -12.3844 -12.3844 -12.3739 -12.3739
-12.3404 -12.3404 -12.3291 -12.3291 -12.3174 -12.3174 -9.6046 -9.6046
-8.5202 -8.5202 -8.4227 -8.4227 -2.8378 -2.8378 -2.6797 -2.6797
1.4429 1.4429 3.4295 3.4295 5.5537 5.5537 5.6249 5.6249
6.6256 6.6256 7.1673 7.1673 7.5690 7.5690 8.5541 8.5541
9.5092 9.5092 10.3674 10.3674 10.7829 10.7829 11.3678 11.3678
11.7976 11.7976
k = 0.5650 0.1321-0.4197 ( 5175 PWs) bands (ev):
-26.7585 -26.7585 -13.4092 -13.4092 -13.4006 -13.4006 -13.3894 -13.3894
-13.3714 -13.3714 -12.3902 -12.3902 -12.3844 -12.3844 -12.3746 -12.3746
-12.3399 -12.3399 -12.3288 -12.3288 -12.3176 -12.3176 -9.6026 -9.6026
-8.5187 -8.5187 -8.4186 -8.4186 -2.8705 -2.8705 -2.7176 -2.7176
1.4495 1.4495 3.4787 3.4787 5.6526 5.6526 5.6784 5.6784
6.6698 6.6698 7.2083 7.2083 7.6515 7.6515 8.5990 8.5990
9.4989 9.4989 10.3559 10.3559 10.7204 10.7204 11.4075 11.4075
11.7452 11.7452
k = 0.5611 0.1312-0.3909 ( 5174 PWs) bands (ev):
-26.7590 -26.7590 -13.4094 -13.4094 -13.4005 -13.4005 -13.3898 -13.3898
-13.3713 -13.3713 -12.3904 -12.3904 -12.3845 -12.3845 -12.3752 -12.3752
-12.3395 -12.3395 -12.3285 -12.3285 -12.3178 -12.3178 -9.6008 -9.6008
-8.5175 -8.5175 -8.4144 -8.4144 -2.9016 -2.9016 -2.7539 -2.7539
1.4546 1.4546 3.5211 3.5211 5.7182 5.7182 5.7788 5.7788
6.7143 6.7143 7.2487 7.2487 7.7333 7.7333 8.6408 8.6408
9.4888 9.4888 10.3453 10.3453 10.6455 10.6455 11.4236 11.4236
11.7139 11.7139
k = 0.5573 0.1303-0.3621 ( 5176 PWs) bands (ev):
-26.7594 -26.7594 -13.4096 -13.4096 -13.4003 -13.4003 -13.3902 -13.3902
-13.3712 -13.3712 -12.3905 -12.3905 -12.3845 -12.3845 -12.3758 -12.3758
-12.3390 -12.3390 -12.3282 -12.3282 -12.3179 -12.3179 -9.5990 -9.5990
-8.5164 -8.5164 -8.4102 -8.4102 -2.9312 -2.9312 -2.7884 -2.7884
1.4583 1.4583 3.5566 3.5566 5.7850 5.7850 5.8908 5.8908
6.7590 6.7590 7.2883 7.2883 7.8137 7.8137 8.6777 8.6777
9.4804 9.4804 10.3344 10.3344 10.5614 10.5614 11.4107 11.4107
11.7110 11.7110
k = 0.5535 0.1294-0.3333 ( 5176 PWs) bands (ev):
-26.7599 -26.7599 -13.4098 -13.4098 -13.4001 -13.4001 -13.3906 -13.3906
-13.3710 -13.3710 -12.3906 -12.3906 -12.3846 -12.3846 -12.3764 -12.3764
-12.3387 -12.3387 -12.3278 -12.3278 -12.3181 -12.3181 -9.5973 -9.5973
-8.5155 -8.5155 -8.4059 -8.4059 -2.9590 -2.9590 -2.8211 -2.8211
1.4608 1.4608 3.5857 3.5857 5.8615 5.8615 6.0049 6.0049
6.8036 6.8036 7.3266 7.3266 7.8918 7.8918 8.7072 8.7072
9.4757 9.4757 10.3192 10.3192 10.4752 10.4752 11.3766 11.3766
11.7297 11.7297
k = 0.5497 0.1285-0.3045 ( 5179 PWs) bands (ev):
-26.7603 -26.7603 -13.4099 -13.4099 -13.3999 -13.3999 -13.3910 -13.3910
-13.3709 -13.3709 -12.3907 -12.3907 -12.3846 -12.3846 -12.3771 -12.3771
-12.3383 -12.3383 -12.3275 -12.3275 -12.3183 -12.3183 -9.5957 -9.5957
-8.5147 -8.5147 -8.4017 -8.4017 -2.9852 -2.9852 -2.8519 -2.8519
1.4623 1.4623 3.6087 3.6087 5.9476 5.9476 6.1199 6.1199
6.8478 6.8478 7.3634 7.3634 7.9669 7.9669 8.7263 8.7263
9.4770 9.4770 10.2836 10.2836 10.4064 10.4064 11.3332 11.3332
11.7575 11.7575
k = 0.5459 0.1276-0.2757 ( 5177 PWs) bands (ev):
-26.7607 -26.7607 -13.4101 -13.4101 -13.3997 -13.3997 -13.3914 -13.3914
-13.3708 -13.3708 -12.3907 -12.3907 -12.3846 -12.3846 -12.3777 -12.3777
-12.3380 -12.3380 -12.3271 -12.3271 -12.3185 -12.3185 -9.5943 -9.5943
-8.5140 -8.5140 -8.3976 -8.3976 -3.0096 -3.0096 -2.8807 -2.8807
1.4631 1.4631 3.6264 3.6264 6.0427 6.0427 6.2349 6.2349
6.8916 6.8916 7.3985 7.3985 8.0380 8.0380 8.7317 8.7317
9.4856 9.4856 10.2101 10.2101 10.3775 10.3775 11.2876 11.2876
11.7847 11.7847
k = 0.5420 0.1267-0.2469 ( 5177 PWs) bands (ev):
-26.7610 -26.7610 -13.4102 -13.4102 -13.3994 -13.3994 -13.3918 -13.3918
-13.3707 -13.3707 -12.3908 -12.3908 -12.3846 -12.3846 -12.3782 -12.3782
-12.3377 -12.3377 -12.3267 -12.3267 -12.3187 -12.3187 -9.5929 -9.5929
-8.5134 -8.5134 -8.3936 -8.3936 -3.0321 -3.0321 -2.9074 -2.9074
1.4631 1.4631 3.6395 3.6395 6.1460 6.1460 6.3491 6.3491
6.9347 6.9347 7.4314 7.4314 8.1040 8.1040 8.7211 8.7211
9.5007 9.5007 10.1208 10.1208 10.3724 10.3724 11.2429 11.2429
11.7944 11.7944
k = 0.5382 0.1258-0.2181 ( 5182 PWs) bands (ev):
-26.7614 -26.7614 -13.4104 -13.4104 -13.3992 -13.3992 -13.3922 -13.3922
-13.3706 -13.3706 -12.3908 -12.3908 -12.3846 -12.3846 -12.3788 -12.3788
-12.3375 -12.3375 -12.3264 -12.3264 -12.3189 -12.3189 -9.5916 -9.5916
-8.5130 -8.5130 -8.3898 -8.3898 -3.0528 -3.0528 -2.9321 -2.9321
1.4627 1.4627 3.6487 3.6487 6.2563 6.2563 6.4615 6.4615
6.9768 6.9768 7.4621 7.4621 8.1639 8.1639 8.6935 8.6935
9.5173 9.5173 10.0391 10.0391 10.3772 10.3772 11.1999 11.1999
11.7479 11.7479
k = 0.5344 0.1249-0.1893 ( 5187 PWs) bands (ev):
-26.7617 -26.7617 -13.4105 -13.4105 -13.3989 -13.3989 -13.3926 -13.3926
-13.3706 -13.3706 -12.3909 -12.3909 -12.3846 -12.3846 -12.3793 -12.3793
-12.3373 -12.3373 -12.3260 -12.3260 -12.3190 -12.3190 -9.5905 -9.5905
-8.5126 -8.5126 -8.3863 -8.3863 -3.0717 -3.0717 -2.9545 -2.9545
1.4620 1.4620 3.6548 3.6548 6.3727 6.3727 6.5711 6.5711
7.0180 7.0180 7.4901 7.4901 8.2163 8.2163 8.6492 8.6492
9.5238 9.5238 9.9821 9.9821 10.3881 10.3881 11.1592 11.1592
11.6654 11.6654
k = 0.5306 0.1240-0.1605 ( 5186 PWs) bands (ev):
-26.7620 -26.7620 -13.4106 -13.4106 -13.3987 -13.3987 -13.3930 -13.3930
-13.3705 -13.3705 -12.3909 -12.3909 -12.3845 -12.3845 -12.3798 -12.3798
-12.3371 -12.3371 -12.3257 -12.3257 -12.3192 -12.3192 -9.5894 -9.5894
-8.5122 -8.5122 -8.3830 -8.3830 -3.0886 -3.0886 -2.9747 -2.9747
1.4610 1.4610 3.6584 3.6584 6.4939 6.4939 6.6767 6.6767
7.0581 7.0581 7.5153 7.5153 8.2596 8.2596 8.5904 8.5904
9.5070 9.5070 9.9654 9.9654 10.4040 10.4040 11.1204 11.1204
11.5772 11.5772
k = 0.5267 0.1231-0.1317 ( 5178 PWs) bands (ev):
-26.7622 -26.7622 -13.4107 -13.4107 -13.3984 -13.3984 -13.3934 -13.3934
-13.3704 -13.3704 -12.3909 -12.3909 -12.3845 -12.3845 -12.3803 -12.3803
-12.3369 -12.3369 -12.3254 -12.3254 -12.3194 -12.3194 -9.5885 -9.5885
-8.5119 -8.5119 -8.3800 -8.3800 -3.1035 -3.1035 -2.9927 -2.9927
1.4598 1.4598 3.6603 3.6603 6.6180 6.6180 6.7772 6.7772
7.0975 7.0975 7.5376 7.5376 8.2903 8.2903 8.5211 8.5211
9.4652 9.4652 9.9912 9.9912 10.4248 10.4248 11.0835 11.0835
11.4903 11.4903
k = 0.5229 0.1223-0.1029 ( 5182 PWs) bands (ev):
-26.7624 -26.7624 -13.4108 -13.4108 -13.3981 -13.3981 -13.3938 -13.3938
-13.3704 -13.3704 -12.3909 -12.3909 -12.3845 -12.3845 -12.3807 -12.3807
-12.3368 -12.3368 -12.3251 -12.3251 -12.3195 -12.3195 -9.5877 -9.5877
-8.5117 -8.5117 -8.3773 -8.3773 -3.1166 -3.1166 -3.0083 -3.0083
1.4587 1.4587 3.6608 3.6608 6.7424 6.7424 6.8717 6.8717
7.1365 7.1365 7.5569 7.5569 8.2982 8.2982 8.4529 8.4529
9.4099 9.4099 10.0473 10.0473 10.4503 10.4503 11.0480 11.0480
11.4066 11.4066
k = 0.5191 0.1214-0.0741 ( 5191 PWs) bands (ev):
-26.7626 -26.7626 -13.4109 -13.4109 -13.3978 -13.3978 -13.3942 -13.3942
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3811 -12.3811
-12.3367 -12.3367 -12.3249 -12.3249 -12.3196 -12.3196 -9.5870 -9.5870
-8.5115 -8.5115 -8.3750 -8.3750 -3.1276 -3.1276 -3.0216 -3.0216
1.4576 1.4576 3.6605 3.6605 6.8604 6.8604 6.9626 6.9626
7.1762 7.1762 7.5733 7.5733 8.2573 8.2573 8.4138 8.4138
9.3535 9.3535 10.1199 10.1199 10.4808 10.4808 11.0131 11.0131
11.3269 11.3269
k = 0.5153 0.1205-0.0453 ( 5190 PWs) bands (ev):
-26.7628 -26.7628 -13.4110 -13.4110 -13.3974 -13.3974 -13.3946 -13.3946
-13.3703 -13.3703 -12.3908 -12.3908 -12.3844 -12.3844 -12.3814 -12.3814
-12.3366 -12.3366 -12.3247 -12.3247 -12.3197 -12.3197 -9.5865 -9.5865
-8.5114 -8.5114 -8.3731 -8.3731 -3.1366 -3.1366 -3.0325 -3.0325
1.4566 1.4566 3.6598 3.6598 6.9564 6.9564 7.0597 7.0597
7.2177 7.2177 7.5873 7.5873 8.1683 8.1683 8.4056 8.4056
9.3033 9.3033 10.1984 10.1984 10.5171 10.5171 10.9777 10.9777
11.2514 11.2514
k = 0.5115 0.1196-0.0165 ( 5193 PWs) bands (ev):
-26.7629 -26.7629 -13.4110 -13.4110 -13.3971 -13.3971 -13.3950 -13.3950
-13.3703 -13.3703 -12.3908 -12.3908 -12.3843 -12.3843 -12.3817 -12.3817
-12.3365 -12.3365 -12.3245 -12.3245 -12.3198 -12.3198 -9.5861 -9.5861
-8.5113 -8.5113 -8.3716 -8.3716 -3.1437 -3.1437 -3.0411 -3.0411
1.4557 1.4557 3.6589 3.6589 7.0196 7.0196 7.1647 7.1647
7.2643 7.2643 7.6000 7.6000 8.0593 8.0593 8.4044 8.4044
9.2629 9.2629 10.2736 10.2736 10.5606 10.5606 10.9397 10.9397
11.1815 11.1815
k = 0.5076 0.1187 0.0123 ( 5191 PWs) bands (ev):
-26.7630 -26.7630 -13.4111 -13.4111 -13.3968 -13.3968 -13.3953 -13.3953
-13.3702 -13.3702 -12.3908 -12.3908 -12.3843 -12.3843 -12.3819 -12.3819
-12.3364 -12.3364 -12.3244 -12.3244 -12.3199 -12.3199 -9.5857 -9.5857
-8.5112 -8.5112 -8.3705 -8.3705 -3.1487 -3.1487 -3.0472 -3.0472
1.4551 1.4551 3.6582 3.6582 7.0579 7.0579 7.2450 7.2450
7.3314 7.3314 7.6147 7.6147 7.9436 7.9436 8.4031 8.4031
9.2340 9.2340 10.3356 10.3356 10.6126 10.6126 10.8963 10.8963
11.1216 11.1216
k = 0.5038 0.1178 0.0411 ( 5219 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3964 -13.3964 -13.3957 -13.3957
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3820 -12.3820
-12.3364 -12.3364 -12.3243 -12.3243 -12.3199 -12.3199 -9.5856 -9.5856
-8.5111 -8.5111 -8.3699 -8.3699 -3.1517 -3.1517 -3.0508 -3.0508
1.4547 1.4547 3.6576 3.6576 7.0786 7.0786 7.2813 7.2813
7.4115 7.4115 7.6409 7.6409 7.8318 7.8318 8.4014 8.4014
9.2167 9.2167 10.3759 10.3759 10.6696 10.6696 10.8473 10.8473
11.0805 11.0805
k = 0.5000 0.1169 0.0699 ( 5210 PWs) bands (ev):
-26.7631 -26.7631 -13.4111 -13.4111 -13.3961 -13.3961 -13.3961 -13.3961
-13.3702 -13.3702 -12.3908 -12.3908 -12.3842 -12.3842 -12.3821 -12.3821
-12.3364 -12.3364 -12.3243 -12.3243 -12.3200 -12.3200 -9.5855 -9.5855
-8.5111 -8.5111 -8.3696 -8.3696 -3.1528 -3.1528 -3.0520 -3.0520
1.4546 1.4546 3.6574 3.6574 7.0852 7.0852 7.2919 7.2919
7.4472 7.4472 7.6743 7.6743 7.7628 7.7628 8.4006 8.4006
9.2109 9.2109 10.3898 10.3898 10.7042 10.7042 10.8159 10.8159
11.0660 11.0660
k = 0.5000-1.0109-0.6049 ( 5166 PWs) bands (ev):
-26.7493 -26.7493 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9073 -1.9073 -1.8807 -1.8807
0.7885 0.7885 1.9798 1.9798 4.5552 4.5552 5.6778 5.6778
5.9454 5.9454 6.0954 6.0954 6.6347 6.6347 7.9947 7.9947
9.1948 9.1948 10.3727 10.3727 10.4357 10.4357 10.6714 10.6714
11.4552 11.4552
k = 0.5267-1.0011-0.5991 ( 5164 PWs) bands (ev):
-26.7493 -26.7493 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9126 -1.9126 -1.8753 -1.8753
0.7891 0.7891 1.9787 1.9787 4.5542 4.5542 5.6807 5.6807
5.9468 5.9468 6.0963 6.0963 6.6332 6.6332 7.9909 7.9909
9.1959 9.1959 10.3660 10.3660 10.4386 10.4386 10.6673 10.6673
11.4691 11.4691
k = 0.5535-0.9914-0.5933 ( 5170 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4019 -13.4019 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9232 -1.9232 -1.8648 -1.8648
0.7907 0.7907 1.9755 1.9755 4.5515 4.5515 5.6895 5.6895
5.9510 5.9510 6.0988 6.0988 6.6289 6.6289 7.9796 7.9796
9.1994 9.1994 10.3465 10.3465 10.4468 10.4468 10.6566 10.6566
11.5087 11.5087
k = 0.5802-0.9817-0.5874 ( 5169 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9350 -1.9350 -1.8530 -1.8530
0.7934 0.7934 1.9702 1.9702 4.5472 4.5472 5.7038 5.7038
5.9582 5.9582 6.1030 6.1030 6.6217 6.6217 7.9606 7.9606
9.2058 9.2058 10.3152 10.3152 10.4597 10.4597 10.6428 10.6428
11.5694 11.5694
k = 0.6070-0.9719-0.5816 ( 5177 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3277 -12.3277 -12.3167 -12.3167 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9470 -1.9470 -1.8411 -1.8411
0.7971 0.7971 1.9630 1.9630 4.5413 4.5413 5.7232 5.7232
5.9685 5.9685 6.1086 6.1086 6.6118 6.6118 7.9341 7.9341
9.2153 9.2153 10.2740 10.2740 10.4769 10.4769 10.6287 10.6287
11.6457 11.6457
k = 0.6337-0.9622-0.5758 ( 5181 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3563 -12.3563 -12.3278 -12.3278 -12.3166 -12.3166 -9.6459 -9.6459
-8.5780 -8.5780 -8.4557 -8.4557 -1.9588 -1.9588 -1.8294 -1.8294
0.8017 0.8017 1.9540 1.9540 4.5344 4.5344 5.7470 5.7470
5.9822 5.9822 6.1154 6.1154 6.5994 6.5994 7.9002 7.9002
9.2287 9.2287 10.2257 10.2257 10.4968 10.4968 10.6160 10.6160
11.7332 11.7332
k = 0.6605-0.9524-0.5699 ( 5184 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3832 -13.3832
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3632 -12.3632
-12.3562 -12.3562 -12.3278 -12.3278 -12.3166 -12.3166 -9.6459 -9.6459
-8.5779 -8.5779 -8.4557 -8.4557 -1.9703 -1.9703 -1.8181 -1.8181
0.8072 0.8072 1.9436 1.9436 4.5266 4.5266 5.7744 5.7744
5.9995 5.9995 6.1231 6.1231 6.5847 6.5847 7.8590 7.8590
9.2464 9.2464 10.1734 10.1734 10.5163 10.5163 10.6072 10.6072
11.8280 11.8280
k = 0.6872-0.9427-0.5641 ( 5184 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3745 -13.3745 -12.3850 -12.3850 -12.3817 -12.3817 -12.3633 -12.3633
-12.3562 -12.3562 -12.3278 -12.3278 -12.3166 -12.3166 -9.6458 -9.6458
-8.5779 -8.5779 -8.4557 -8.4557 -1.9814 -1.9814 -1.8073 -1.8073
0.8135 0.8135 1.9319 1.9319 4.5183 4.5183 5.8044 5.8044
6.0210 6.0210 6.1317 6.1317 6.5680 6.5680 7.8112 7.8112
9.2688 9.2688 10.1194 10.1194 10.5269 10.5269 10.6094 10.6094
11.9275 11.9275
k = 0.7140-0.9330-0.5583 ( 5183 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3745 -13.3745 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3562 -12.3562 -12.3278 -12.3278 -12.3166 -12.3166 -9.6458 -9.6458
-8.5778 -8.5778 -8.4557 -8.4557 -1.9920 -1.9920 -1.7972 -1.7972
0.8204 0.8204 1.9194 1.9194 4.5099 4.5099 5.8355 5.8355
6.0469 6.0469 6.1412 6.1412 6.5496 6.5496 7.7572 7.7572
9.2960 9.2960 10.0659 10.0659 10.5205 10.5205 10.6293 10.6293
12.0296 12.0296
k = 0.7407-0.9232-0.5524 ( 5179 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3278 -12.3278 -12.3166 -12.3166 -9.6458 -9.6458
-8.5778 -8.5778 -8.4557 -8.4557 -2.0019 -2.0019 -1.7878 -1.7878
0.8277 0.8277 1.9063 1.9063 4.5018 4.5018 5.8666 5.8666
6.0764 6.0764 6.1526 6.1526 6.5297 6.5297 7.6978 7.6978
9.3279 9.3279 10.0142 10.0142 10.5017 10.5017 10.6614 10.6614
12.1326 12.1326
k = 0.7675-0.9135-0.5466 ( 5185 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3278 -12.3278 -12.3166 -12.3166 -9.6457 -9.6457
-8.5777 -8.5777 -8.4557 -8.4557 -2.0111 -2.0111 -1.7793 -1.7793
0.8355 0.8355 1.8931 1.8931 4.4942 4.4942 5.8965 5.8965
6.1062 6.1062 6.1694 6.1694 6.5089 6.5089 7.6340 7.6340
9.3640 9.3640 9.9652 9.9652 10.4760 10.4760 10.6995 10.6995
12.2349 12.2349
k = 0.7942-0.9037-0.5408 ( 5178 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3633 -12.3633
-12.3561 -12.3561 -12.3279 -12.3279 -12.3166 -12.3166 -9.6457 -9.6457
-8.5777 -8.5777 -8.4557 -8.4557 -2.0196 -2.0196 -1.7718 -1.7718
0.8434 0.8434 1.8800 1.8800 4.4874 4.4874 5.9246 5.9246
6.1284 6.1284 6.1987 6.1987 6.4874 6.4874 7.5669 7.5669
9.4038 9.4038 9.9198 9.9198 10.4464 10.4464 10.7404 10.7404
12.3346 12.3346
k = 0.8210-0.8940-0.5350 ( 5180 PWs) bands (ev):
-26.7494 -26.7494 -13.4057 -13.4057 -13.4018 -13.4018 -13.3833 -13.3833
-13.3744 -13.3744 -12.3851 -12.3851 -12.3817 -12.3817 -12.3634 -12.3634
-12.3560 -12.3560 -12.3279 -12.3279 -12.3166 -12.3166 -9.6457 -9.6457
-8.5776 -8.5776 -8.4557 -8.4557 -2.0274 -2.0274 -1.7652 -1.7652
0.8512 0.8512 1.8676 1.8676 4.4817 4.4817 5.9506 5.9506
6.1405 6.1405 6.2421 6.2421 6.4659 6.4659 7.4976 7.4976
9.4461 9.4461 9.8782 9.8782 10.4148 10.4148 10.7824 10.7824
12.4282 12.4282
Writing output data file SrxSnAsx2.save
init_run : 0.51s CPU 0.64s WALL ( 1 calls)
electrons : 376.60s CPU 379.31s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.01s WALL ( 1 calls)
potinit : 0.06s CPU 0.10s WALL ( 1 calls)
Called by electrons:
c_bands : 376.59s CPU 379.30s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.02s WALL ( 1 calls)
newd : 0.08s CPU 0.11s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.06s CPU 0.07s WALL ( 282 calls)
cegterg : 332.10s CPU 334.24s WALL ( 282 calls)
Called by sum_band:
Called by *egterg:
h_psi : 294.36s CPU 296.14s WALL ( 5475 calls)
s_psi : 4.31s CPU 4.31s WALL ( 5475 calls)
g_psi : 0.25s CPU 0.26s WALL ( 4911 calls)
cdiaghg : 48.57s CPU 49.29s WALL ( 5193 calls)
cegterg:over : 6.90s CPU 6.93s WALL ( 4911 calls)
cegterg:upda : 5.95s CPU 5.99s WALL ( 4911 calls)
cegterg:last : 2.97s CPU 3.01s WALL ( 846 calls)
cdiaghg:chol : 2.80s CPU 2.84s WALL ( 5193 calls)
cdiaghg:inve : 1.99s CPU 1.98s WALL ( 5193 calls)
cdiaghg:para : 3.08s CPU 3.26s WALL ( 10386 calls)
Called by h_psi:
h_psi:vloc : 283.94s CPU 285.79s WALL ( 5475 calls)
h_psi:vnl : 10.11s CPU 10.07s WALL ( 5475 calls)
add_vuspsi : 5.08s CPU 5.03s WALL ( 5475 calls)
General routines
calbec : 5.00s CPU 5.02s WALL ( 5475 calls)
fft : 0.04s CPU 0.04s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 260.90s CPU 261.96s WALL ( 689244 calls)
interpolate : 0.01s CPU 0.01s WALL ( 4 calls)
davcio : 0.22s CPU 0.26s WALL ( 564 calls)
Parallel routines
fft_scatter : 48.72s CPU 48.84s WALL ( 689267 calls)
PWSCF : 6m34.81s CPU 6m59.37s WALL
This run was terminated on: 20:48:53 24Dec2016
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=