Program PWSCF v.5.1.1 starts on 27Jul2015 at 13:31:48
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 32 processors
R & G space division: proc/nbgrp/npool/nimage = 32
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:
./FeO.save/
file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 23 13 4 418 179 32
Max 24 14 5 422 193 34
Sum 745 433 139 13413 5901 1055
bravais-lattice index = 14
lattice parameter (alat) = 5.7939 a.u.
unit-cell volume = 135.4638 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 2
number of electrons = 14.00
number of Kohn-Sham states= 22
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 5.793900 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.509943 celldm(5)= 0.509943 celldm(6)= 0.509943
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.509943 0.860208 0.000000 )
a(3) = ( 0.509943 0.290512 0.809667 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.592813 -0.417113 )
b(2) = ( 0.000000 1.162509 -0.417113 )
b(3) = ( 0.000000 0.000000 1.235075 )
PseudoPot. # 1 for O read from file:
/home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1095 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Fe read from file:
/home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 1f786298b0c3f78d6037ec413201e537
Pseudo is Ultrasoft + core correction, Zval = 8.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1191 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
O 6.00 15.99940 O( 1.00)
Fe 8.00 55.84500 Fe( 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:
E 1
i 2
-E -1
-i -2
Cartesian axes
number of k points= 463 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 2) = ( 0.0078125 -0.0046313 -0.0032587), wk = 0.0021598
k( 3) = ( 0.0156250 -0.0092627 -0.0065174), wk = 0.0021598
k( 4) = ( 0.0234375 -0.0138940 -0.0097761), wk = 0.0021598
k( 5) = ( 0.0312500 -0.0185254 -0.0130348), wk = 0.0021598
k( 6) = ( 0.0390625 -0.0231567 -0.0162935), wk = 0.0021598
k( 7) = ( 0.0468750 -0.0277881 -0.0195522), wk = 0.0021598
k( 8) = ( 0.0546875 -0.0324194 -0.0228109), wk = 0.0021598
k( 9) = ( 0.0625000 -0.0370508 -0.0260696), wk = 0.0021598
k( 10) = ( 0.0703125 -0.0416821 -0.0293283), wk = 0.0021598
k( 11) = ( 0.0781250 -0.0463135 -0.0325870), wk = 0.0021598
k( 12) = ( 0.0859375 -0.0509448 -0.0358457), wk = 0.0021598
k( 13) = ( 0.0937500 -0.0555762 -0.0391044), wk = 0.0021598
k( 14) = ( 0.1015625 -0.0602075 -0.0423631), wk = 0.0021598
k( 15) = ( 0.1093750 -0.0648389 -0.0456218), wk = 0.0021598
k( 16) = ( 0.1171875 -0.0694702 -0.0488805), wk = 0.0021598
k( 17) = ( 0.1250000 -0.0741016 -0.0521392), wk = 0.0021598
k( 18) = ( 0.1328125 -0.0787329 -0.0553979), wk = 0.0021598
k( 19) = ( 0.1406250 -0.0833643 -0.0586566), wk = 0.0021598
k( 20) = ( 0.1484375 -0.0879956 -0.0619153), wk = 0.0021598
k( 21) = ( 0.1562500 -0.0926270 -0.0651740), wk = 0.0021598
k( 22) = ( 0.1640625 -0.0972583 -0.0684327), wk = 0.0021598
k( 23) = ( 0.1718750 -0.1018897 -0.0716914), wk = 0.0021598
k( 24) = ( 0.1796875 -0.1065210 -0.0749501), wk = 0.0021598
k( 25) = ( 0.1875000 -0.1111524 -0.0782088), wk = 0.0021598
k( 26) = ( 0.1953125 -0.1157837 -0.0814675), wk = 0.0021598
k( 27) = ( 0.2031250 -0.1204151 -0.0847262), wk = 0.0021598
k( 28) = ( 0.2109375 -0.1250464 -0.0879849), wk = 0.0021598
k( 29) = ( 0.2187500 -0.1296778 -0.0912436), wk = 0.0021598
k( 30) = ( 0.2265625 -0.1343091 -0.0945023), wk = 0.0021598
k( 31) = ( 0.2343750 -0.1389405 -0.0977610), wk = 0.0021598
k( 32) = ( 0.2421875 -0.1435718 -0.1010197), wk = 0.0021598
k( 33) = ( 0.2500000 -0.1482032 -0.1042784), wk = 0.0021598
k( 34) = ( 0.2578125 -0.1528345 -0.1075371), wk = 0.0021598
k( 35) = ( 0.2656250 -0.1574659 -0.1107958), wk = 0.0021598
k( 36) = ( 0.2734375 -0.1620972 -0.1140545), wk = 0.0021598
k( 37) = ( 0.2812500 -0.1667286 -0.1173132), wk = 0.0021598
k( 38) = ( 0.2890625 -0.1713599 -0.1205718), wk = 0.0021598
k( 39) = ( 0.2968750 -0.1759913 -0.1238305), wk = 0.0021598
k( 40) = ( 0.3046875 -0.1806226 -0.1270892), wk = 0.0021598
k( 41) = ( 0.3125000 -0.1852540 -0.1303479), wk = 0.0021598
k( 42) = ( 0.3203125 -0.1898853 -0.1336066), wk = 0.0021598
k( 43) = ( 0.3281250 -0.1945167 -0.1368653), wk = 0.0021598
k( 44) = ( 0.3359375 -0.1991480 -0.1401240), wk = 0.0021598
k( 45) = ( 0.3437500 -0.2037794 -0.1433827), wk = 0.0021598
k( 46) = ( 0.3515625 -0.2084107 -0.1466414), wk = 0.0021598
k( 47) = ( 0.3593750 -0.2130421 -0.1499001), wk = 0.0021598
k( 48) = ( 0.3671875 -0.2176734 -0.1531588), wk = 0.0021598
k( 49) = ( 0.3750000 -0.2223048 -0.1564175), wk = 0.0021598
k( 50) = ( 0.3828125 -0.2269361 -0.1596762), wk = 0.0021598
k( 51) = ( 0.3906250 -0.2315675 -0.1629349), wk = 0.0021598
k( 52) = ( 0.3984375 -0.2361988 -0.1661936), wk = 0.0021598
k( 53) = ( 0.4062500 -0.2408302 -0.1694523), wk = 0.0021598
k( 54) = ( 0.4140625 -0.2454615 -0.1727110), wk = 0.0021598
k( 55) = ( 0.4218750 -0.2500929 -0.1759697), wk = 0.0021598
k( 56) = ( 0.4296875 -0.2547242 -0.1792284), wk = 0.0021598
k( 57) = ( 0.4375000 -0.2593555 -0.1824871), wk = 0.0021598
k( 58) = ( 0.4453125 -0.2639869 -0.1857458), wk = 0.0021598
k( 59) = ( 0.4531250 -0.2686182 -0.1890045), wk = 0.0021598
k( 60) = ( 0.4609375 -0.2732496 -0.1922632), wk = 0.0021598
k( 61) = ( 0.4687500 -0.2778809 -0.1955219), wk = 0.0021598
k( 62) = ( 0.4765625 -0.2825123 -0.1987806), wk = 0.0021598
k( 63) = ( 0.4843750 -0.2871436 -0.2020393), wk = 0.0021598
k( 64) = ( 0.4921875 -0.2917750 -0.2052980), wk = 0.0021598
k( 65) = ( 0.5000000 -0.2964063 -0.2085567), wk = 0.0021598
k( 66) = ( 0.5000000 -0.2964063 -0.2085567), wk = 0.0021598
k( 67) = ( 0.5000000 -0.2908724 -0.2164217), wk = 0.0021598
k( 68) = ( 0.5000000 -0.2853384 -0.2242867), wk = 0.0021598
k( 69) = ( 0.5000000 -0.2798044 -0.2321518), wk = 0.0021598
k( 70) = ( 0.5000000 -0.2742705 -0.2400168), wk = 0.0021598
k( 71) = ( 0.5000000 -0.2687365 -0.2478818), wk = 0.0021598
k( 72) = ( 0.5000000 -0.2632026 -0.2557468), wk = 0.0021598
k( 73) = ( 0.5000000 -0.2576686 -0.2636118), wk = 0.0021598
k( 74) = ( 0.5000000 -0.2521346 -0.2714768), wk = 0.0021598
k( 75) = ( 0.5000000 -0.2466007 -0.2793419), wk = 0.0021598
k( 76) = ( 0.5000000 -0.2410667 -0.2872069), wk = 0.0021598
k( 77) = ( 0.5000000 -0.2355327 -0.2950719), wk = 0.0021598
k( 78) = ( 0.5000000 -0.2299988 -0.3029369), wk = 0.0021598
k( 79) = ( 0.5000000 -0.2244648 -0.3108019), wk = 0.0021598
k( 80) = ( 0.5000000 -0.2189309 -0.3186669), wk = 0.0021598
k( 81) = ( 0.5000000 -0.2133969 -0.3265320), wk = 0.0021598
k( 82) = ( 0.5000000 -0.2078629 -0.3343970), wk = 0.0021598
k( 83) = ( 0.5000000 -0.2023290 -0.3422620), wk = 0.0021598
k( 84) = ( 0.5000000 -0.1967950 -0.3501270), wk = 0.0021598
k( 85) = ( 0.5000000 -0.1912610 -0.3579920), wk = 0.0021598
k( 86) = ( 0.5000000 -0.1857271 -0.3658570), wk = 0.0021598
k( 87) = ( 0.5000000 -0.1801931 -0.3737220), wk = 0.0021598
k( 88) = ( 0.5000000 -0.1746591 -0.3815871), wk = 0.0021598
k( 89) = ( 0.5000000 -0.1691252 -0.3894521), wk = 0.0021598
k( 90) = ( 0.5000000 -0.1635912 -0.3973171), wk = 0.0021598
k( 91) = ( 0.5000000 -0.1580573 -0.4051821), wk = 0.0021598
k( 92) = ( 0.5000000 -0.1525233 -0.4130471), wk = 0.0021598
k( 93) = ( 0.5000000 -0.1469893 -0.4209121), wk = 0.0021598
k( 94) = ( 0.5000000 -0.1414554 -0.4287772), wk = 0.0021598
k( 95) = ( 0.5000000 -0.1359214 -0.4366422), wk = 0.0021598
k( 96) = ( 0.5000000 -0.1303874 -0.4445072), wk = 0.0021598
k( 97) = ( 0.5000000 -0.1248535 -0.4523722), wk = 0.0021598
k( 98) = ( 0.5000000 -0.1193195 -0.4602372), wk = 0.0021598
k( 99) = ( 0.5000000 -0.1137855 -0.4681022), wk = 0.0021598
k( 100) = ( 0.5000000 -0.1082516 -0.4759673), wk = 0.0021598
k( 101) = ( 0.5000000 -0.1027176 -0.4838323), wk = 0.0021598
k( 102) = ( 0.5000000 -0.0971837 -0.4916973), wk = 0.0021598
k( 103) = ( 0.5000000 -0.0916497 -0.4995623), wk = 0.0021598
k( 104) = ( 0.5000000 -0.0861157 -0.5074273), wk = 0.0021598
k( 105) = ( 0.5000000 -0.0805818 -0.5152923), wk = 0.0021598
k( 106) = ( 0.5000000 -0.0750478 -0.5231574), wk = 0.0021598
k( 107) = ( 0.5000000 -0.0695138 -0.5310224), wk = 0.0021598
k( 108) = ( 0.5000000 -0.0639799 -0.5388874), wk = 0.0021598
k( 109) = ( 0.5000000 -0.0584459 -0.5467524), wk = 0.0021598
k( 110) = ( 0.5000000 -0.0529119 -0.5546174), wk = 0.0021598
k( 111) = ( 0.5000000 -0.0473780 -0.5624824), wk = 0.0021598
k( 112) = ( 0.5000000 -0.0418440 -0.5703475), wk = 0.0021598
k( 113) = ( 0.5000000 -0.0363101 -0.5782125), wk = 0.0021598
k( 114) = ( 0.5000000 -0.0307761 -0.5860775), wk = 0.0021598
k( 115) = ( 0.5000000 -0.0252421 -0.5939425), wk = 0.0021598
k( 116) = ( 0.5000000 -0.0197082 -0.6018075), wk = 0.0021598
k( 117) = ( 0.5000000 -0.0141742 -0.6096725), wk = 0.0021598
k( 118) = ( 0.5000000 -0.0086402 -0.6175375), wk = 0.0021598
k( 119) = ( 0.7524612 0.1351859 -0.2166893), wk = 0.0021598
k( 120) = ( 0.7476977 0.1380097 -0.2088192), wk = 0.0021598
k( 121) = ( 0.7429343 0.1408335 -0.2009492), wk = 0.0021598
k( 122) = ( 0.7381709 0.1436574 -0.1930791), wk = 0.0021598
k( 123) = ( 0.7334075 0.1464812 -0.1852090), wk = 0.0021598
k( 124) = ( 0.7286441 0.1493050 -0.1773390), wk = 0.0021598
k( 125) = ( 0.7238807 0.1521288 -0.1694689), wk = 0.0021598
k( 126) = ( 0.7191172 0.1549526 -0.1615988), wk = 0.0021598
k( 127) = ( 0.7143538 0.1577764 -0.1537288), wk = 0.0021598
k( 128) = ( 0.7095904 0.1606003 -0.1458587), wk = 0.0021598
k( 129) = ( 0.7048270 0.1634241 -0.1379887), wk = 0.0021598
k( 130) = ( 0.7000636 0.1662479 -0.1301186), wk = 0.0021598
k( 131) = ( 0.6953001 0.1690717 -0.1222485), wk = 0.0021598
k( 132) = ( 0.6905367 0.1718955 -0.1143785), wk = 0.0021598
k( 133) = ( 0.6857733 0.1747193 -0.1065084), wk = 0.0021598
k( 134) = ( 0.6810099 0.1775431 -0.0986383), wk = 0.0021598
k( 135) = ( 0.6762465 0.1803670 -0.0907683), wk = 0.0021598
k( 136) = ( 0.6714830 0.1831908 -0.0828982), wk = 0.0021598
k( 137) = ( 0.6667196 0.1860146 -0.0750281), wk = 0.0021598
k( 138) = ( 0.6619562 0.1888384 -0.0671581), wk = 0.0021598
k( 139) = ( 0.6571928 0.1916622 -0.0592880), wk = 0.0021598
k( 140) = ( 0.6524294 0.1944860 -0.0514179), wk = 0.0021598
k( 141) = ( 0.6476660 0.1973098 -0.0435479), wk = 0.0021598
k( 142) = ( 0.6429025 0.2001337 -0.0356778), wk = 0.0021598
k( 143) = ( 0.6381391 0.2029575 -0.0278077), wk = 0.0021598
k( 144) = ( 0.6333757 0.2057813 -0.0199377), wk = 0.0021598
k( 145) = ( 0.6286123 0.2086051 -0.0120676), wk = 0.0021598
k( 146) = ( 0.6238489 0.2114289 -0.0041976), wk = 0.0021598
k( 147) = ( 0.6190855 0.2142527 0.0036725), wk = 0.0021598
k( 148) = ( 0.6143220 0.2170765 0.0115426), wk = 0.0021598
k( 149) = ( 0.6095586 0.2199004 0.0194126), wk = 0.0021598
k( 150) = ( 0.6047952 0.2227242 0.0272827), wk = 0.0021598
k( 151) = ( 0.6000318 0.2255480 0.0351528), wk = 0.0021598
k( 152) = ( 0.5952684 0.2283718 0.0430228), wk = 0.0021598
k( 153) = ( 0.5905049 0.2311956 0.0508929), wk = 0.0021598
k( 154) = ( 0.5857415 0.2340194 0.0587630), wk = 0.0021598
k( 155) = ( 0.5809781 0.2368432 0.0666330), wk = 0.0021598
k( 156) = ( 0.5762147 0.2396671 0.0745031), wk = 0.0021598
k( 157) = ( 0.5714513 0.2424909 0.0823732), wk = 0.0021598
k( 158) = ( 0.5666878 0.2453147 0.0902432), wk = 0.0021598
k( 159) = ( 0.5619244 0.2481385 0.0981133), wk = 0.0021598
k( 160) = ( 0.5571610 0.2509623 0.1059833), wk = 0.0021598
k( 161) = ( 0.5523976 0.2537861 0.1138534), wk = 0.0021598
k( 162) = ( 0.5476342 0.2566099 0.1217235), wk = 0.0021598
k( 163) = ( 0.5428708 0.2594338 0.1295935), wk = 0.0021598
k( 164) = ( 0.5381073 0.2622576 0.1374636), wk = 0.0021598
k( 165) = ( 0.5333439 0.2650814 0.1453337), wk = 0.0021598
k( 166) = ( 0.5285805 0.2679052 0.1532037), wk = 0.0021598
k( 167) = ( 0.5238171 0.2707290 0.1610738), wk = 0.0021598
k( 168) = ( 0.5190537 0.2735528 0.1689439), wk = 0.0021598
k( 169) = ( 0.5142902 0.2763767 0.1768139), wk = 0.0021598
k( 170) = ( 0.5095268 0.2792005 0.1846840), wk = 0.0021598
k( 171) = ( 0.5047634 0.2820243 0.1925541), wk = 0.0021598
k( 172) = ( 0.5000000 0.2848481 0.2004241), wk = 0.0021598
k( 173) = ( 0.5000000 0.2848481 0.2004241), wk = 0.0021598
k( 174) = ( 0.4920635 0.2803267 0.1972428), wk = 0.0021598
k( 175) = ( 0.4841270 0.2758053 0.1940615), wk = 0.0021598
k( 176) = ( 0.4761905 0.2712839 0.1908801), wk = 0.0021598
k( 177) = ( 0.4682540 0.2667625 0.1876988), wk = 0.0021598
k( 178) = ( 0.4603175 0.2622411 0.1845174), wk = 0.0021598
k( 179) = ( 0.4523810 0.2577197 0.1813361), wk = 0.0021598
k( 180) = ( 0.4444444 0.2531983 0.1781548), wk = 0.0021598
k( 181) = ( 0.4365079 0.2486769 0.1749734), wk = 0.0021598
k( 182) = ( 0.4285714 0.2441555 0.1717921), wk = 0.0021598
k( 183) = ( 0.4206349 0.2396341 0.1686108), wk = 0.0021598
k( 184) = ( 0.4126984 0.2351127 0.1654294), wk = 0.0021598
k( 185) = ( 0.4047619 0.2305913 0.1622481), wk = 0.0021598
k( 186) = ( 0.3968254 0.2260699 0.1590668), wk = 0.0021598
k( 187) = ( 0.3888889 0.2215485 0.1558854), wk = 0.0021598
k( 188) = ( 0.3809524 0.2170271 0.1527041), wk = 0.0021598
k( 189) = ( 0.3730159 0.2125057 0.1495228), wk = 0.0021598
k( 190) = ( 0.3650794 0.2079843 0.1463414), wk = 0.0021598
k( 191) = ( 0.3571429 0.2034629 0.1431601), wk = 0.0021598
k( 192) = ( 0.3492063 0.1989415 0.1399788), wk = 0.0021598
k( 193) = ( 0.3412698 0.1944201 0.1367974), wk = 0.0021598
k( 194) = ( 0.3333333 0.1898987 0.1336161), wk = 0.0021598
k( 195) = ( 0.3253968 0.1853773 0.1304347), wk = 0.0021598
k( 196) = ( 0.3174603 0.1808559 0.1272534), wk = 0.0021598
k( 197) = ( 0.3095238 0.1763345 0.1240721), wk = 0.0021598
k( 198) = ( 0.3015873 0.1718131 0.1208907), wk = 0.0021598
k( 199) = ( 0.2936508 0.1672917 0.1177094), wk = 0.0021598
k( 200) = ( 0.2857143 0.1627703 0.1145281), wk = 0.0021598
k( 201) = ( 0.2777778 0.1582489 0.1113467), wk = 0.0021598
k( 202) = ( 0.2698413 0.1537275 0.1081654), wk = 0.0021598
k( 203) = ( 0.2619048 0.1492061 0.1049841), wk = 0.0021598
k( 204) = ( 0.2539683 0.1446847 0.1018027), wk = 0.0021598
k( 205) = ( 0.2460317 0.1401634 0.0986214), wk = 0.0021598
k( 206) = ( 0.2380952 0.1356420 0.0954401), wk = 0.0021598
k( 207) = ( 0.2301587 0.1311206 0.0922587), wk = 0.0021598
k( 208) = ( 0.2222222 0.1265992 0.0890774), wk = 0.0021598
k( 209) = ( 0.2142857 0.1220778 0.0858961), wk = 0.0021598
k( 210) = ( 0.2063492 0.1175564 0.0827147), wk = 0.0021598
k( 211) = ( 0.1984127 0.1130350 0.0795334), wk = 0.0021598
k( 212) = ( 0.1904762 0.1085136 0.0763520), wk = 0.0021598
k( 213) = ( 0.1825397 0.1039922 0.0731707), wk = 0.0021598
k( 214) = ( 0.1746032 0.0994708 0.0699894), wk = 0.0021598
k( 215) = ( 0.1666667 0.0949494 0.0668080), wk = 0.0021598
k( 216) = ( 0.1587302 0.0904280 0.0636267), wk = 0.0021598
k( 217) = ( 0.1507937 0.0859066 0.0604454), wk = 0.0021598
k( 218) = ( 0.1428571 0.0813852 0.0572640), wk = 0.0021598
k( 219) = ( 0.1349206 0.0768638 0.0540827), wk = 0.0021598
k( 220) = ( 0.1269841 0.0723424 0.0509014), wk = 0.0021598
k( 221) = ( 0.1190476 0.0678210 0.0477200), wk = 0.0021598
k( 222) = ( 0.1111111 0.0632996 0.0445387), wk = 0.0021598
k( 223) = ( 0.1031746 0.0587782 0.0413574), wk = 0.0021598
k( 224) = ( 0.0952381 0.0542568 0.0381760), wk = 0.0021598
k( 225) = ( 0.0873016 0.0497354 0.0349947), wk = 0.0021598
k( 226) = ( 0.0793651 0.0452140 0.0318134), wk = 0.0021598
k( 227) = ( 0.0714286 0.0406926 0.0286320), wk = 0.0021598
k( 228) = ( 0.0634921 0.0361712 0.0254507), wk = 0.0021598
k( 229) = ( 0.0555556 0.0316498 0.0222693), wk = 0.0021598
k( 230) = ( 0.0476191 0.0271284 0.0190880), wk = 0.0021598
k( 231) = ( 0.0396825 0.0226070 0.0159067), wk = 0.0021598
k( 232) = ( 0.0317460 0.0180856 0.0127253), wk = 0.0021598
k( 233) = ( 0.0238095 0.0135642 0.0095440), wk = 0.0021598
k( 234) = ( 0.0158730 0.0090428 0.0063627), wk = 0.0021598
k( 235) = ( 0.0079365 0.0045214 0.0031813), wk = 0.0021598
k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 238) = ( 0.0047919 -0.0028407 -0.0079172), wk = 0.0021598
k( 239) = ( 0.0095838 -0.0056814 -0.0158343), wk = 0.0021598
k( 240) = ( 0.0143757 -0.0085221 -0.0237514), wk = 0.0021598
k( 241) = ( 0.0191677 -0.0113628 -0.0316686), wk = 0.0021598
k( 242) = ( 0.0239596 -0.0142035 -0.0395857), wk = 0.0021598
k( 243) = ( 0.0287515 -0.0170442 -0.0475029), wk = 0.0021598
k( 244) = ( 0.0335434 -0.0198850 -0.0554200), wk = 0.0021598
k( 245) = ( 0.0383353 -0.0227257 -0.0633372), wk = 0.0021598
k( 246) = ( 0.0431272 -0.0255664 -0.0712543), wk = 0.0021598
k( 247) = ( 0.0479192 -0.0284071 -0.0791715), wk = 0.0021598
k( 248) = ( 0.0527111 -0.0312478 -0.0870886), wk = 0.0021598
k( 249) = ( 0.0575030 -0.0340885 -0.0950058), wk = 0.0021598
k( 250) = ( 0.0622949 -0.0369292 -0.1029229), wk = 0.0021598
k( 251) = ( 0.0670868 -0.0397699 -0.1108401), wk = 0.0021598
k( 252) = ( 0.0718787 -0.0426106 -0.1187572), wk = 0.0021598
k( 253) = ( 0.0766707 -0.0454513 -0.1266744), wk = 0.0021598
k( 254) = ( 0.0814626 -0.0482920 -0.1345915), wk = 0.0021598
k( 255) = ( 0.0862545 -0.0511327 -0.1425087), wk = 0.0021598
k( 256) = ( 0.0910464 -0.0539735 -0.1504258), wk = 0.0021598
k( 257) = ( 0.0958383 -0.0568142 -0.1583430), wk = 0.0021598
k( 258) = ( 0.1006302 -0.0596549 -0.1662601), wk = 0.0021598
k( 259) = ( 0.1054221 -0.0624956 -0.1741772), wk = 0.0021598
k( 260) = ( 0.1102141 -0.0653363 -0.1820944), wk = 0.0021598
k( 261) = ( 0.1150060 -0.0681770 -0.1900116), wk = 0.0021598
k( 262) = ( 0.1197979 -0.0710177 -0.1979287), wk = 0.0021598
k( 263) = ( 0.1245898 -0.0738584 -0.2058459), wk = 0.0021598
k( 264) = ( 0.1293817 -0.0766991 -0.2137630), wk = 0.0021598
k( 265) = ( 0.1341736 -0.0795398 -0.2216801), wk = 0.0021598
k( 266) = ( 0.1389655 -0.0823805 -0.2295973), wk = 0.0021598
k( 267) = ( 0.1437575 -0.0852213 -0.2375144), wk = 0.0021598
k( 268) = ( 0.1485494 -0.0880620 -0.2454316), wk = 0.0021598
k( 269) = ( 0.1533413 -0.0909027 -0.2533487), wk = 0.0021598
k( 270) = ( 0.1581332 -0.0937434 -0.2612659), wk = 0.0021598
k( 271) = ( 0.1629251 -0.0965841 -0.2691830), wk = 0.0021598
k( 272) = ( 0.1677171 -0.0994248 -0.2771002), wk = 0.0021598
k( 273) = ( 0.1725090 -0.1022655 -0.2850173), wk = 0.0021598
k( 274) = ( 0.1773009 -0.1051062 -0.2929345), wk = 0.0021598
k( 275) = ( 0.1820928 -0.1079469 -0.3008516), wk = 0.0021598
k( 276) = ( 0.1868847 -0.1107876 -0.3087688), wk = 0.0021598
k( 277) = ( 0.1916766 -0.1136283 -0.3166859), wk = 0.0021598
k( 278) = ( 0.1964685 -0.1164690 -0.3246031), wk = 0.0021598
k( 279) = ( 0.2012605 -0.1193098 -0.3325202), wk = 0.0021598
k( 280) = ( 0.2060524 -0.1221505 -0.3404374), wk = 0.0021598
k( 281) = ( 0.2108443 -0.1249912 -0.3483545), wk = 0.0021598
k( 282) = ( 0.2156362 -0.1278319 -0.3562717), wk = 0.0021598
k( 283) = ( 0.2204281 -0.1306726 -0.3641888), wk = 0.0021598
k( 284) = ( 0.2252200 -0.1335133 -0.3721060), wk = 0.0021598
k( 285) = ( 0.2300119 -0.1363540 -0.3800231), wk = 0.0021598
k( 286) = ( 0.2348039 -0.1391947 -0.3879403), wk = 0.0021598
k( 287) = ( 0.2395958 -0.1420354 -0.3958574), wk = 0.0021598
k( 288) = ( 0.2443877 -0.1448761 -0.4037746), wk = 0.0021598
k( 289) = ( 0.2491796 -0.1477168 -0.4116917), wk = 0.0021598
k( 290) = ( 0.2539715 -0.1505575 -0.4196088), wk = 0.0021598
k( 291) = ( 0.2587635 -0.1533983 -0.4275260), wk = 0.0021598
k( 292) = ( 0.2635554 -0.1562390 -0.4354431), wk = 0.0021598
k( 293) = ( 0.2683473 -0.1590797 -0.4433603), wk = 0.0021598
k( 294) = ( 0.2731392 -0.1619204 -0.4512774), wk = 0.0021598
k( 295) = ( 0.2779311 -0.1647611 -0.4591946), wk = 0.0021598
k( 296) = ( 0.2827230 -0.1676018 -0.4671117), wk = 0.0021598
k( 297) = ( 0.2875149 -0.1704425 -0.4750289), wk = 0.0021598
k( 298) = ( 0.2923069 -0.1732832 -0.4829460), wk = 0.0021598
k( 299) = ( 0.2970988 -0.1761239 -0.4908632), wk = 0.0021598
k( 300) = ( 0.3018907 -0.1789646 -0.4987803), wk = 0.0021598
k( 301) = ( 0.3066826 -0.1818053 -0.5066975), wk = 0.0021598
k( 302) = ( 0.3114745 -0.1846460 -0.5146146), wk = 0.0021598
k( 303) = ( 0.3162664 -0.1874868 -0.5225318), wk = 0.0021598
k( 304) = ( 0.3210583 -0.1903275 -0.5304489), wk = 0.0021598
k( 305) = ( 0.3258503 -0.1931682 -0.5383661), wk = 0.0021598
k( 306) = ( 0.3306422 -0.1960089 -0.5462832), wk = 0.0021598
k( 307) = ( 0.3354341 -0.1988496 -0.5542004), wk = 0.0021598
k( 308) = ( 0.3402260 -0.2016903 -0.5621175), wk = 0.0021598
k( 309) = ( 0.3450179 -0.2045310 -0.5700347), wk = 0.0021598
k( 310) = ( 0.3498098 -0.2073717 -0.5779518), wk = 0.0021598
k( 311) = ( 0.3546018 -0.2102124 -0.5858690), wk = 0.0021598
k( 312) = ( 0.3593937 -0.2130531 -0.5937861), wk = 0.0021598
k( 313) = ( 0.3641856 -0.2158938 -0.6017032), wk = 0.0021598
k( 314) = ( 0.3689775 -0.2187345 -0.6096204), wk = 0.0021598
k( 315) = ( 0.3737694 -0.2215753 -0.6175375), wk = 0.0021598
k( 316) = ( 0.6262306 0.0632728 -0.4171134), wk = 0.0021598
k( 317) = ( 0.6215554 0.0714793 -0.4171134), wk = 0.0021598
k( 318) = ( 0.6168802 0.0796858 -0.4171134), wk = 0.0021598
k( 319) = ( 0.6122050 0.0878923 -0.4171134), wk = 0.0021598
k( 320) = ( 0.6075297 0.0960988 -0.4171134), wk = 0.0021598
k( 321) = ( 0.6028545 0.1043053 -0.4171134), wk = 0.0021598
k( 322) = ( 0.5981793 0.1125118 -0.4171134), wk = 0.0021598
k( 323) = ( 0.5935041 0.1207183 -0.4171134), wk = 0.0021598
k( 324) = ( 0.5888289 0.1289248 -0.4171134), wk = 0.0021598
k( 325) = ( 0.5841537 0.1371313 -0.4171134), wk = 0.0021598
k( 326) = ( 0.5794785 0.1453378 -0.4171134), wk = 0.0021598
k( 327) = ( 0.5748033 0.1535442 -0.4171134), wk = 0.0021598
k( 328) = ( 0.5701281 0.1617507 -0.4171134), wk = 0.0021598
k( 329) = ( 0.5654529 0.1699572 -0.4171134), wk = 0.0021598
k( 330) = ( 0.5607777 0.1781637 -0.4171134), wk = 0.0021598
k( 331) = ( 0.5561025 0.1863702 -0.4171134), wk = 0.0021598
k( 332) = ( 0.5514273 0.1945767 -0.4171134), wk = 0.0021598
k( 333) = ( 0.5467521 0.2027832 -0.4171134), wk = 0.0021598
k( 334) = ( 0.5420769 0.2109897 -0.4171134), wk = 0.0021598
k( 335) = ( 0.5374016 0.2191962 -0.4171134), wk = 0.0021598
k( 336) = ( 0.5327264 0.2274027 -0.4171134), wk = 0.0021598
k( 337) = ( 0.5280512 0.2356091 -0.4171134), wk = 0.0021598
k( 338) = ( 0.5233760 0.2438156 -0.4171134), wk = 0.0021598
k( 339) = ( 0.5187008 0.2520221 -0.4171134), wk = 0.0021598
k( 340) = ( 0.5140256 0.2602286 -0.4171134), wk = 0.0021598
k( 341) = ( 0.5093504 0.2684351 -0.4171134), wk = 0.0021598
k( 342) = ( 0.5046752 0.2766416 -0.4171134), wk = 0.0021598
k( 343) = ( 0.5000000 0.2848481 -0.4171134), wk = 0.0021598
k( 344) = ( 0.5000000 0.2848481 -0.4171134), wk = 0.0021598
k( 345) = ( 0.5048550 0.2876140 -0.4094048), wk = 0.0021598
k( 346) = ( 0.5097100 0.2903799 -0.4016962), wk = 0.0021598
k( 347) = ( 0.5145651 0.2931458 -0.3939876), wk = 0.0021598
k( 348) = ( 0.5194201 0.2959116 -0.3862789), wk = 0.0021598
k( 349) = ( 0.5242751 0.2986775 -0.3785703), wk = 0.0021598
k( 350) = ( 0.5291301 0.3014434 -0.3708617), wk = 0.0021598
k( 351) = ( 0.5339852 0.3042093 -0.3631531), wk = 0.0021598
k( 352) = ( 0.5388402 0.3069752 -0.3554445), wk = 0.0021598
k( 353) = ( 0.5436952 0.3097411 -0.3477358), wk = 0.0021598
k( 354) = ( 0.5485502 0.3125070 -0.3400272), wk = 0.0021598
k( 355) = ( 0.5534052 0.3152729 -0.3323186), wk = 0.0021598
k( 356) = ( 0.5582603 0.3180387 -0.3246100), wk = 0.0021598
k( 357) = ( 0.5631153 0.3208046 -0.3169014), wk = 0.0021598
k( 358) = ( 0.5679703 0.3235705 -0.3091927), wk = 0.0021598
k( 359) = ( 0.5728253 0.3263364 -0.3014841), wk = 0.0021598
k( 360) = ( 0.5776804 0.3291023 -0.2937755), wk = 0.0021598
k( 361) = ( 0.5825354 0.3318682 -0.2860669), wk = 0.0021598
k( 362) = ( 0.5873904 0.3346341 -0.2783583), wk = 0.0021598
k( 363) = ( 0.5922454 0.3374000 -0.2706496), wk = 0.0021598
k( 364) = ( 0.5971004 0.3401658 -0.2629410), wk = 0.0021598
k( 365) = ( 0.6019555 0.3429317 -0.2552324), wk = 0.0021598
k( 366) = ( 0.6068105 0.3456976 -0.2475238), wk = 0.0021598
k( 367) = ( 0.6116655 0.3484635 -0.2398152), wk = 0.0021598
k( 368) = ( 0.6165205 0.3512294 -0.2321065), wk = 0.0021598
k( 369) = ( 0.6213756 0.3539953 -0.2243979), wk = 0.0021598
k( 370) = ( 0.6262306 0.3567612 -0.2166893), wk = 0.0021598
k( 371) = ( 0.6262306 0.3567612 -0.2166893), wk = 0.0021598
k( 372) = ( 0.6234864 0.3551978 -0.2076216), wk = 0.0021598
k( 373) = ( 0.6207423 0.3536345 -0.1985539), wk = 0.0021598
k( 374) = ( 0.6179982 0.3520712 -0.1894863), wk = 0.0021598
k( 375) = ( 0.6152540 0.3505079 -0.1804186), wk = 0.0021598
k( 376) = ( 0.6125099 0.3489445 -0.1713509), wk = 0.0021598
k( 377) = ( 0.6097657 0.3473812 -0.1622832), wk = 0.0021598
k( 378) = ( 0.6070216 0.3458179 -0.1532155), wk = 0.0021598
k( 379) = ( 0.6042774 0.3442545 -0.1441478), wk = 0.0021598
k( 380) = ( 0.6015333 0.3426912 -0.1350801), wk = 0.0021598
k( 381) = ( 0.5987891 0.3411279 -0.1260125), wk = 0.0021598
k( 382) = ( 0.5960450 0.3395646 -0.1169448), wk = 0.0021598
k( 383) = ( 0.5933009 0.3380012 -0.1078771), wk = 0.0021598
k( 384) = ( 0.5905567 0.3364379 -0.0988094), wk = 0.0021598
k( 385) = ( 0.5878126 0.3348746 -0.0897417), wk = 0.0021598
k( 386) = ( 0.5850684 0.3333113 -0.0806741), wk = 0.0021598
k( 387) = ( 0.5823243 0.3317479 -0.0716064), wk = 0.0021598
k( 388) = ( 0.5795801 0.3301846 -0.0625387), wk = 0.0021598
k( 389) = ( 0.5768360 0.3286213 -0.0534710), wk = 0.0021598
k( 390) = ( 0.5740919 0.3270579 -0.0444033), wk = 0.0021598
k( 391) = ( 0.5713477 0.3254946 -0.0353356), wk = 0.0021598
k( 392) = ( 0.5686036 0.3239313 -0.0262679), wk = 0.0021598
k( 393) = ( 0.5658594 0.3223680 -0.0172003), wk = 0.0021598
k( 394) = ( 0.5631153 0.3208046 -0.0081326), wk = 0.0021598
k( 395) = ( 0.5603712 0.3192413 0.0009351), wk = 0.0021598
k( 396) = ( 0.5576270 0.3176780 0.0100028), wk = 0.0021598
k( 397) = ( 0.5548829 0.3161147 0.0190705), wk = 0.0021598
k( 398) = ( 0.5521387 0.3145513 0.0281381), wk = 0.0021598
k( 399) = ( 0.5493946 0.3129880 0.0372058), wk = 0.0021598
k( 400) = ( 0.5466504 0.3114247 0.0462735), wk = 0.0021598
k( 401) = ( 0.5439063 0.3098613 0.0553412), wk = 0.0021598
k( 402) = ( 0.5411621 0.3082980 0.0644089), wk = 0.0021598
k( 403) = ( 0.5384180 0.3067347 0.0734766), wk = 0.0021598
k( 404) = ( 0.5356739 0.3051714 0.0825442), wk = 0.0021598
k( 405) = ( 0.5329297 0.3036080 0.0916119), wk = 0.0021598
k( 406) = ( 0.5301856 0.3020447 0.1006796), wk = 0.0021598
k( 407) = ( 0.5274414 0.3004814 0.1097473), wk = 0.0021598
k( 408) = ( 0.5246973 0.2989180 0.1188150), wk = 0.0021598
k( 409) = ( 0.5219531 0.2973547 0.1278827), wk = 0.0021598
k( 410) = ( 0.5192090 0.2957914 0.1369503), wk = 0.0021598
k( 411) = ( 0.5164649 0.2942281 0.1460180), wk = 0.0021598
k( 412) = ( 0.5137207 0.2926647 0.1550857), wk = 0.0021598
k( 413) = ( 0.5109766 0.2911014 0.1641534), wk = 0.0021598
k( 414) = ( 0.5082324 0.2895381 0.1732211), wk = 0.0021598
k( 415) = ( 0.5054883 0.2879748 0.1822888), wk = 0.0021598
k( 416) = ( 0.5027441 0.2864114 0.1913564), wk = 0.0021598
k( 417) = ( 0.5000000 0.2848481 0.2004241), wk = 0.0021598
k( 418) = ( 0.5000000 -0.2964063 -0.2085567), wk = 0.0021598
k( 419) = ( 0.5056103 -0.2900764 -0.2041028), wk = 0.0021598
k( 420) = ( 0.5112205 -0.2837464 -0.1996490), wk = 0.0021598
k( 421) = ( 0.5168307 -0.2774165 -0.1951951), wk = 0.0021598
k( 422) = ( 0.5224410 -0.2710865 -0.1907412), wk = 0.0021598
k( 423) = ( 0.5280512 -0.2647565 -0.1862874), wk = 0.0021598
k( 424) = ( 0.5336615 -0.2584266 -0.1818335), wk = 0.0021598
k( 425) = ( 0.5392717 -0.2520966 -0.1773796), wk = 0.0021598
k( 426) = ( 0.5448820 -0.2457667 -0.1729258), wk = 0.0021598
k( 427) = ( 0.5504922 -0.2394367 -0.1684719), wk = 0.0021598
k( 428) = ( 0.5561025 -0.2331068 -0.1640180), wk = 0.0021598
k( 429) = ( 0.5617127 -0.2267768 -0.1595641), wk = 0.0021598
k( 430) = ( 0.5673230 -0.2204468 -0.1551103), wk = 0.0021598
k( 431) = ( 0.5729332 -0.2141169 -0.1506564), wk = 0.0021598
k( 432) = ( 0.5785435 -0.2077869 -0.1462025), wk = 0.0021598
k( 433) = ( 0.5841537 -0.2014570 -0.1417487), wk = 0.0021598
k( 434) = ( 0.5897640 -0.1951270 -0.1372948), wk = 0.0021598
k( 435) = ( 0.5953742 -0.1887971 -0.1328409), wk = 0.0021598
k( 436) = ( 0.6009845 -0.1824671 -0.1283871), wk = 0.0021598
k( 437) = ( 0.6065947 -0.1761371 -0.1239332), wk = 0.0021598
k( 438) = ( 0.6122050 -0.1698072 -0.1194793), wk = 0.0021598
k( 439) = ( 0.6178152 -0.1634772 -0.1150255), wk = 0.0021598
k( 440) = ( 0.6234255 -0.1571473 -0.1105716), wk = 0.0021598
k( 441) = ( 0.6290357 -0.1508173 -0.1061177), wk = 0.0021598
k( 442) = ( 0.6346460 -0.1444874 -0.1016638), wk = 0.0021598
k( 443) = ( 0.6402562 -0.1381574 -0.0972100), wk = 0.0021598
k( 444) = ( 0.6458664 -0.1318274 -0.0927561), wk = 0.0021598
k( 445) = ( 0.6514767 -0.1254975 -0.0883022), wk = 0.0021598
k( 446) = ( 0.6570869 -0.1191675 -0.0838484), wk = 0.0021598
k( 447) = ( 0.6626972 -0.1128376 -0.0793945), wk = 0.0021598
k( 448) = ( 0.6683074 -0.1065076 -0.0749406), wk = 0.0021598
k( 449) = ( 0.6739177 -0.1001777 -0.0704868), wk = 0.0021598
k( 450) = ( 0.6795279 -0.0938477 -0.0660329), wk = 0.0021598
k( 451) = ( 0.6851382 -0.0875177 -0.0615790), wk = 0.0021598
k( 452) = ( 0.6907484 -0.0811878 -0.0571252), wk = 0.0021598
k( 453) = ( 0.6963587 -0.0748578 -0.0526713), wk = 0.0021598
k( 454) = ( 0.7019689 -0.0685279 -0.0482174), wk = 0.0021598
k( 455) = ( 0.7075792 -0.0621979 -0.0437635), wk = 0.0021598
k( 456) = ( 0.7131894 -0.0558680 -0.0393097), wk = 0.0021598
k( 457) = ( 0.7187997 -0.0495380 -0.0348558), wk = 0.0021598
k( 458) = ( 0.7244099 -0.0432080 -0.0304019), wk = 0.0021598
k( 459) = ( 0.7300202 -0.0368781 -0.0259481), wk = 0.0021598
k( 460) = ( 0.7356304 -0.0305481 -0.0214942), wk = 0.0021598
k( 461) = ( 0.7412407 -0.0242182 -0.0170403), wk = 0.0021598
k( 462) = ( 0.7468509 -0.0178882 -0.0125865), wk = 0.0021598
k( 463) = ( 0.7524612 -0.0115583 -0.0081326), wk = 0.0021598
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 2) = ( 0.0078125 0.0000000 0.0000000), wk = 0.0021598
k( 3) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0021598
k( 4) = ( 0.0234375 -0.0000000 0.0000000), wk = 0.0021598
k( 5) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0021598
k( 6) = ( 0.0390625 0.0000000 0.0000000), wk = 0.0021598
k( 7) = ( 0.0468750 -0.0000000 0.0000000), wk = 0.0021598
k( 8) = ( 0.0546875 -0.0000000 0.0000000), wk = 0.0021598
k( 9) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0021598
k( 10) = ( 0.0703125 0.0000000 0.0000000), wk = 0.0021598
k( 11) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0021598
k( 12) = ( 0.0859375 -0.0000000 -0.0000000), wk = 0.0021598
k( 13) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0021598
k( 14) = ( 0.1015625 -0.0000000 0.0000000), wk = 0.0021598
k( 15) = ( 0.1093750 -0.0000000 0.0000000), wk = 0.0021598
k( 16) = ( 0.1171875 -0.0000000 0.0000000), wk = 0.0021598
k( 17) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0021598
k( 18) = ( 0.1328125 -0.0000000 -0.0000000), wk = 0.0021598
k( 19) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0021598
k( 20) = ( 0.1484375 -0.0000000 0.0000000), wk = 0.0021598
k( 21) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0021598
k( 22) = ( 0.1640625 -0.0000000 -0.0000000), wk = 0.0021598
k( 23) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0021598
k( 24) = ( 0.1796875 -0.0000000 0.0000000), wk = 0.0021598
k( 25) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0021598
k( 26) = ( 0.1953125 -0.0000000 0.0000000), wk = 0.0021598
k( 27) = ( 0.2031250 -0.0000000 0.0000000), wk = 0.0021598
k( 28) = ( 0.2109375 -0.0000000 0.0000000), wk = 0.0021598
k( 29) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0021598
k( 30) = ( 0.2265625 0.0000000 0.0000000), wk = 0.0021598
k( 31) = ( 0.2343750 -0.0000000 0.0000000), wk = 0.0021598
k( 32) = ( 0.2421875 -0.0000000 0.0000000), wk = 0.0021598
k( 33) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021598
k( 34) = ( 0.2578125 0.0000000 0.0000000), wk = 0.0021598
k( 35) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0021598
k( 36) = ( 0.2734375 -0.0000000 0.0000000), wk = 0.0021598
k( 37) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0021598
k( 38) = ( 0.2890625 -0.0000000 -0.0000000), wk = 0.0021598
k( 39) = ( 0.2968750 -0.0000000 0.0000000), wk = 0.0021598
k( 40) = ( 0.3046875 0.0000000 0.0000000), wk = 0.0021598
k( 41) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0021598
k( 42) = ( 0.3203125 -0.0000000 -0.0000000), wk = 0.0021598
k( 43) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0021598
k( 44) = ( 0.3359375 0.0000000 0.0000000), wk = 0.0021598
k( 45) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0021598
k( 46) = ( 0.3515625 0.0000000 0.0000000), wk = 0.0021598
k( 47) = ( 0.3593750 -0.0000000 0.0000000), wk = 0.0021598
k( 48) = ( 0.3671875 -0.0000000 0.0000000), wk = 0.0021598
k( 49) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0021598
k( 50) = ( 0.3828125 0.0000000 0.0000000), wk = 0.0021598
k( 51) = ( 0.3906250 -0.0000000 0.0000000), wk = 0.0021598
k( 52) = ( 0.3984375 -0.0000000 0.0000000), wk = 0.0021598
k( 53) = ( 0.4062500 -0.0000000 0.0000000), wk = 0.0021598
k( 54) = ( 0.4140625 -0.0000000 0.0000000), wk = 0.0021598
k( 55) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0021598
k( 56) = ( 0.4296875 0.0000000 0.0000000), wk = 0.0021598
k( 57) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0021598
k( 58) = ( 0.4453125 0.0000000 0.0000000), wk = 0.0021598
k( 59) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0021598
k( 60) = ( 0.4609375 -0.0000000 0.0000000), wk = 0.0021598
k( 61) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0021598
k( 62) = ( 0.4765625 -0.0000000 0.0000000), wk = 0.0021598
k( 63) = ( 0.4843750 -0.0000000 0.0000000), wk = 0.0021598
k( 64) = ( 0.4921875 0.0000000 0.0000000), wk = 0.0021598
k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021598
k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021598
k( 67) = ( 0.5000000 0.0047604 -0.0047604), wk = 0.0021598
k( 68) = ( 0.5000000 0.0095207 -0.0095207), wk = 0.0021598
k( 69) = ( 0.5000000 0.0142811 -0.0142811), wk = 0.0021598
k( 70) = ( 0.5000000 0.0190414 -0.0190415), wk = 0.0021598
k( 71) = ( 0.5000000 0.0238018 -0.0238018), wk = 0.0021598
k( 72) = ( 0.5000000 0.0285622 -0.0285622), wk = 0.0021598
k( 73) = ( 0.5000000 0.0333225 -0.0333225), wk = 0.0021598
k( 74) = ( 0.5000000 0.0380829 -0.0380829), wk = 0.0021598
k( 75) = ( 0.5000000 0.0428433 -0.0428433), wk = 0.0021598
k( 76) = ( 0.5000000 0.0476036 -0.0476036), wk = 0.0021598
k( 77) = ( 0.5000000 0.0523640 -0.0523640), wk = 0.0021598
k( 78) = ( 0.5000000 0.0571243 -0.0571243), wk = 0.0021598
k( 79) = ( 0.5000000 0.0618847 -0.0618847), wk = 0.0021598
k( 80) = ( 0.5000000 0.0666451 -0.0666451), wk = 0.0021598
k( 81) = ( 0.5000000 0.0714054 -0.0714054), wk = 0.0021598
k( 82) = ( 0.5000000 0.0761658 -0.0761658), wk = 0.0021598
k( 83) = ( 0.5000000 0.0809262 -0.0809262), wk = 0.0021598
k( 84) = ( 0.5000000 0.0856865 -0.0856865), wk = 0.0021598
k( 85) = ( 0.5000000 0.0904469 -0.0904469), wk = 0.0021598
k( 86) = ( 0.5000000 0.0952072 -0.0952072), wk = 0.0021598
k( 87) = ( 0.5000000 0.0999676 -0.0999676), wk = 0.0021598
k( 88) = ( 0.5000000 0.1047280 -0.1047280), wk = 0.0021598
k( 89) = ( 0.5000000 0.1094883 -0.1094883), wk = 0.0021598
k( 90) = ( 0.5000000 0.1142487 -0.1142487), wk = 0.0021598
k( 91) = ( 0.5000000 0.1190091 -0.1190091), wk = 0.0021598
k( 92) = ( 0.5000000 0.1237694 -0.1237694), wk = 0.0021598
k( 93) = ( 0.5000000 0.1285298 -0.1285298), wk = 0.0021598
k( 94) = ( 0.5000000 0.1332901 -0.1332901), wk = 0.0021598
k( 95) = ( 0.5000000 0.1380505 -0.1380505), wk = 0.0021598
k( 96) = ( 0.5000000 0.1428109 -0.1428109), wk = 0.0021598
k( 97) = ( 0.5000000 0.1475712 -0.1475712), wk = 0.0021598
k( 98) = ( 0.5000000 0.1523316 -0.1523316), wk = 0.0021598
k( 99) = ( 0.5000000 0.1570920 -0.1570920), wk = 0.0021598
k( 100) = ( 0.5000000 0.1618523 -0.1618523), wk = 0.0021598
k( 101) = ( 0.5000000 0.1666127 -0.1666127), wk = 0.0021598
k( 102) = ( 0.5000000 0.1713730 -0.1713731), wk = 0.0021598
k( 103) = ( 0.5000000 0.1761334 -0.1761334), wk = 0.0021598
k( 104) = ( 0.5000000 0.1808938 -0.1808938), wk = 0.0021598
k( 105) = ( 0.5000000 0.1856541 -0.1856541), wk = 0.0021598
k( 106) = ( 0.5000000 0.1904145 -0.1904145), wk = 0.0021598
k( 107) = ( 0.5000000 0.1951749 -0.1951749), wk = 0.0021598
k( 108) = ( 0.5000000 0.1999352 -0.1999352), wk = 0.0021598
k( 109) = ( 0.5000000 0.2046956 -0.2046956), wk = 0.0021598
k( 110) = ( 0.5000000 0.2094559 -0.2094560), wk = 0.0021598
k( 111) = ( 0.5000000 0.2142163 -0.2142163), wk = 0.0021598
k( 112) = ( 0.5000000 0.2189767 -0.2189767), wk = 0.0021598
k( 113) = ( 0.5000000 0.2237370 -0.2237370), wk = 0.0021598
k( 114) = ( 0.5000000 0.2284974 -0.2284974), wk = 0.0021598
k( 115) = ( 0.5000000 0.2332578 -0.2332578), wk = 0.0021598
k( 116) = ( 0.5000000 0.2380181 -0.2380181), wk = 0.0021598
k( 117) = ( 0.5000000 0.2427785 -0.2427785), wk = 0.0021598
k( 118) = ( 0.5000000 0.2475388 -0.2475388), wk = 0.0021598
k( 119) = ( 0.7524612 0.5000000 0.2475388), wk = 0.0021598
k( 120) = ( 0.7476977 0.5000000 0.2523023), wk = 0.0021598
k( 121) = ( 0.7429343 0.5000000 0.2570657), wk = 0.0021598
k( 122) = ( 0.7381709 0.5000000 0.2618291), wk = 0.0021598
k( 123) = ( 0.7334075 0.5000000 0.2665925), wk = 0.0021598
k( 124) = ( 0.7286441 0.5000000 0.2713559), wk = 0.0021598
k( 125) = ( 0.7238807 0.5000000 0.2761193), wk = 0.0021598
k( 126) = ( 0.7191172 0.5000000 0.2808828), wk = 0.0021598
k( 127) = ( 0.7143538 0.5000000 0.2856462), wk = 0.0021598
k( 128) = ( 0.7095904 0.5000000 0.2904096), wk = 0.0021598
k( 129) = ( 0.7048270 0.5000000 0.2951730), wk = 0.0021598
k( 130) = ( 0.7000636 0.5000000 0.2999364), wk = 0.0021598
k( 131) = ( 0.6953001 0.5000000 0.3046999), wk = 0.0021598
k( 132) = ( 0.6905367 0.5000000 0.3094633), wk = 0.0021598
k( 133) = ( 0.6857733 0.5000000 0.3142267), wk = 0.0021598
k( 134) = ( 0.6810099 0.5000000 0.3189901), wk = 0.0021598
k( 135) = ( 0.6762465 0.5000000 0.3237535), wk = 0.0021598
k( 136) = ( 0.6714830 0.5000000 0.3285169), wk = 0.0021598
k( 137) = ( 0.6667196 0.5000000 0.3332804), wk = 0.0021598
k( 138) = ( 0.6619562 0.5000000 0.3380438), wk = 0.0021598
k( 139) = ( 0.6571928 0.5000000 0.3428072), wk = 0.0021598
k( 140) = ( 0.6524294 0.5000000 0.3475706), wk = 0.0021598
k( 141) = ( 0.6476660 0.5000000 0.3523340), wk = 0.0021598
k( 142) = ( 0.6429025 0.5000000 0.3570975), wk = 0.0021598
k( 143) = ( 0.6381391 0.5000000 0.3618609), wk = 0.0021598
k( 144) = ( 0.6333757 0.5000000 0.3666243), wk = 0.0021598
k( 145) = ( 0.6286123 0.5000000 0.3713877), wk = 0.0021598
k( 146) = ( 0.6238489 0.5000000 0.3761511), wk = 0.0021598
k( 147) = ( 0.6190855 0.5000000 0.3809145), wk = 0.0021598
k( 148) = ( 0.6143220 0.5000000 0.3856780), wk = 0.0021598
k( 149) = ( 0.6095586 0.5000000 0.3904414), wk = 0.0021598
k( 150) = ( 0.6047952 0.5000000 0.3952048), wk = 0.0021598
k( 151) = ( 0.6000318 0.5000000 0.3999682), wk = 0.0021598
k( 152) = ( 0.5952684 0.5000000 0.4047316), wk = 0.0021598
k( 153) = ( 0.5905049 0.5000000 0.4094951), wk = 0.0021598
k( 154) = ( 0.5857415 0.5000000 0.4142585), wk = 0.0021598
k( 155) = ( 0.5809781 0.5000000 0.4190219), wk = 0.0021598
k( 156) = ( 0.5762147 0.5000000 0.4237853), wk = 0.0021598
k( 157) = ( 0.5714513 0.5000000 0.4285487), wk = 0.0021598
k( 158) = ( 0.5666878 0.5000000 0.4333122), wk = 0.0021598
k( 159) = ( 0.5619244 0.5000000 0.4380756), wk = 0.0021598
k( 160) = ( 0.5571610 0.5000000 0.4428390), wk = 0.0021598
k( 161) = ( 0.5523976 0.5000000 0.4476024), wk = 0.0021598
k( 162) = ( 0.5476342 0.5000000 0.4523658), wk = 0.0021598
k( 163) = ( 0.5428708 0.5000000 0.4571292), wk = 0.0021598
k( 164) = ( 0.5381073 0.5000000 0.4618927), wk = 0.0021598
k( 165) = ( 0.5333439 0.5000000 0.4666561), wk = 0.0021598
k( 166) = ( 0.5285805 0.5000000 0.4714195), wk = 0.0021598
k( 167) = ( 0.5238171 0.5000000 0.4761829), wk = 0.0021598
k( 168) = ( 0.5190537 0.5000000 0.4809463), wk = 0.0021598
k( 169) = ( 0.5142902 0.5000000 0.4857098), wk = 0.0021598
k( 170) = ( 0.5095268 0.5000000 0.4904732), wk = 0.0021598
k( 171) = ( 0.5047634 0.5000000 0.4952366), wk = 0.0021598
k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598
k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598
k( 174) = ( 0.4920635 0.4920635 0.4920635), wk = 0.0021598
k( 175) = ( 0.4841270 0.4841270 0.4841270), wk = 0.0021598
k( 176) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0021598
k( 177) = ( 0.4682540 0.4682540 0.4682540), wk = 0.0021598
k( 178) = ( 0.4603175 0.4603175 0.4603175), wk = 0.0021598
k( 179) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0021598
k( 180) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0021598
k( 181) = ( 0.4365079 0.4365079 0.4365079), wk = 0.0021598
k( 182) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0021598
k( 183) = ( 0.4206349 0.4206349 0.4206349), wk = 0.0021598
k( 184) = ( 0.4126984 0.4126984 0.4126984), wk = 0.0021598
k( 185) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0021598
k( 186) = ( 0.3968254 0.3968254 0.3968254), wk = 0.0021598
k( 187) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0021598
k( 188) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0021598
k( 189) = ( 0.3730159 0.3730159 0.3730159), wk = 0.0021598
k( 190) = ( 0.3650794 0.3650794 0.3650794), wk = 0.0021598
k( 191) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0021598
k( 192) = ( 0.3492063 0.3492063 0.3492063), wk = 0.0021598
k( 193) = ( 0.3412698 0.3412698 0.3412698), wk = 0.0021598
k( 194) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021598
k( 195) = ( 0.3253968 0.3253968 0.3253968), wk = 0.0021598
k( 196) = ( 0.3174603 0.3174603 0.3174603), wk = 0.0021598
k( 197) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0021598
k( 198) = ( 0.3015873 0.3015873 0.3015873), wk = 0.0021598
k( 199) = ( 0.2936508 0.2936508 0.2936508), wk = 0.0021598
k( 200) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0021598
k( 201) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0021598
k( 202) = ( 0.2698413 0.2698413 0.2698413), wk = 0.0021598
k( 203) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0021598
k( 204) = ( 0.2539683 0.2539683 0.2539683), wk = 0.0021598
k( 205) = ( 0.2460317 0.2460317 0.2460317), wk = 0.0021598
k( 206) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0021598
k( 207) = ( 0.2301587 0.2301587 0.2301587), wk = 0.0021598
k( 208) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0021598
k( 209) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0021598
k( 210) = ( 0.2063492 0.2063492 0.2063492), wk = 0.0021598
k( 211) = ( 0.1984127 0.1984127 0.1984127), wk = 0.0021598
k( 212) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0021598
k( 213) = ( 0.1825397 0.1825397 0.1825397), wk = 0.0021598
k( 214) = ( 0.1746032 0.1746032 0.1746032), wk = 0.0021598
k( 215) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021598
k( 216) = ( 0.1587302 0.1587302 0.1587302), wk = 0.0021598
k( 217) = ( 0.1507937 0.1507937 0.1507937), wk = 0.0021598
k( 218) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0021598
k( 219) = ( 0.1349206 0.1349206 0.1349206), wk = 0.0021598
k( 220) = ( 0.1269841 0.1269841 0.1269841), wk = 0.0021598
k( 221) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0021598
k( 222) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0021598
k( 223) = ( 0.1031746 0.1031746 0.1031746), wk = 0.0021598
k( 224) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0021598
k( 225) = ( 0.0873016 0.0873016 0.0873016), wk = 0.0021598
k( 226) = ( 0.0793651 0.0793651 0.0793651), wk = 0.0021598
k( 227) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0021598
k( 228) = ( 0.0634921 0.0634921 0.0634921), wk = 0.0021598
k( 229) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0021598
k( 230) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0021598
k( 231) = ( 0.0396825 0.0396825 0.0396825), wk = 0.0021598
k( 232) = ( 0.0317460 0.0317460 0.0317460), wk = 0.0021598
k( 233) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0021598
k( 234) = ( 0.0158730 0.0158730 0.0158730), wk = 0.0021598
k( 235) = ( 0.0079365 0.0079365 0.0079365), wk = 0.0021598
k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598
k( 238) = ( 0.0047919 -0.0000000 -0.0047919), wk = 0.0021598
k( 239) = ( 0.0095838 -0.0000000 -0.0095838), wk = 0.0021598
k( 240) = ( 0.0143757 0.0000000 -0.0143757), wk = 0.0021598
k( 241) = ( 0.0191677 -0.0000000 -0.0191677), wk = 0.0021598
k( 242) = ( 0.0239596 -0.0000000 -0.0239596), wk = 0.0021598
k( 243) = ( 0.0287515 0.0000000 -0.0287515), wk = 0.0021598
k( 244) = ( 0.0335434 0.0000000 -0.0335434), wk = 0.0021598
k( 245) = ( 0.0383353 0.0000000 -0.0383353), wk = 0.0021598
k( 246) = ( 0.0431272 0.0000000 -0.0431272), wk = 0.0021598
k( 247) = ( 0.0479192 -0.0000000 -0.0479192), wk = 0.0021598
k( 248) = ( 0.0527111 -0.0000000 -0.0527111), wk = 0.0021598
k( 249) = ( 0.0575030 -0.0000000 -0.0575030), wk = 0.0021598
k( 250) = ( 0.0622949 0.0000000 -0.0622949), wk = 0.0021598
k( 251) = ( 0.0670868 0.0000000 -0.0670868), wk = 0.0021598
k( 252) = ( 0.0718787 0.0000000 -0.0718787), wk = 0.0021598
k( 253) = ( 0.0766707 0.0000000 -0.0766707), wk = 0.0021598
k( 254) = ( 0.0814626 0.0000000 -0.0814626), wk = 0.0021598
k( 255) = ( 0.0862545 0.0000000 -0.0862545), wk = 0.0021598
k( 256) = ( 0.0910464 0.0000000 -0.0910464), wk = 0.0021598
k( 257) = ( 0.0958383 -0.0000000 -0.0958383), wk = 0.0021598
k( 258) = ( 0.1006302 0.0000000 -0.1006302), wk = 0.0021598
k( 259) = ( 0.1054221 -0.0000000 -0.1054221), wk = 0.0021598
k( 260) = ( 0.1102141 -0.0000000 -0.1102141), wk = 0.0021598
k( 261) = ( 0.1150060 -0.0000000 -0.1150060), wk = 0.0021598
k( 262) = ( 0.1197979 -0.0000000 -0.1197979), wk = 0.0021598
k( 263) = ( 0.1245898 -0.0000000 -0.1245898), wk = 0.0021598
k( 264) = ( 0.1293817 -0.0000000 -0.1293817), wk = 0.0021598
k( 265) = ( 0.1341736 0.0000000 -0.1341736), wk = 0.0021598
k( 266) = ( 0.1389655 -0.0000000 -0.1389656), wk = 0.0021598
k( 267) = ( 0.1437575 -0.0000000 -0.1437575), wk = 0.0021598
k( 268) = ( 0.1485494 -0.0000000 -0.1485494), wk = 0.0021598
k( 269) = ( 0.1533413 0.0000000 -0.1533413), wk = 0.0021598
k( 270) = ( 0.1581332 -0.0000000 -0.1581332), wk = 0.0021598
k( 271) = ( 0.1629251 -0.0000000 -0.1629251), wk = 0.0021598
k( 272) = ( 0.1677171 -0.0000000 -0.1677171), wk = 0.0021598
k( 273) = ( 0.1725090 0.0000000 -0.1725090), wk = 0.0021598
k( 274) = ( 0.1773009 -0.0000000 -0.1773009), wk = 0.0021598
k( 275) = ( 0.1820928 0.0000000 -0.1820928), wk = 0.0021598
k( 276) = ( 0.1868847 -0.0000000 -0.1868847), wk = 0.0021598
k( 277) = ( 0.1916766 -0.0000000 -0.1916766), wk = 0.0021598
k( 278) = ( 0.1964685 -0.0000000 -0.1964685), wk = 0.0021598
k( 279) = ( 0.2012605 0.0000000 -0.2012605), wk = 0.0021598
k( 280) = ( 0.2060524 -0.0000000 -0.2060524), wk = 0.0021598
k( 281) = ( 0.2108443 -0.0000000 -0.2108443), wk = 0.0021598
k( 282) = ( 0.2156362 -0.0000000 -0.2156362), wk = 0.0021598
k( 283) = ( 0.2204281 -0.0000000 -0.2204281), wk = 0.0021598
k( 284) = ( 0.2252200 -0.0000000 -0.2252200), wk = 0.0021598
k( 285) = ( 0.2300119 -0.0000000 -0.2300119), wk = 0.0021598
k( 286) = ( 0.2348039 -0.0000000 -0.2348039), wk = 0.0021598
k( 287) = ( 0.2395958 -0.0000000 -0.2395958), wk = 0.0021598
k( 288) = ( 0.2443877 -0.0000000 -0.2443877), wk = 0.0021598
k( 289) = ( 0.2491796 -0.0000000 -0.2491796), wk = 0.0021598
k( 290) = ( 0.2539715 0.0000000 -0.2539715), wk = 0.0021598
k( 291) = ( 0.2587635 0.0000000 -0.2587635), wk = 0.0021598
k( 292) = ( 0.2635554 0.0000000 -0.2635554), wk = 0.0021598
k( 293) = ( 0.2683473 0.0000000 -0.2683473), wk = 0.0021598
k( 294) = ( 0.2731392 0.0000000 -0.2731392), wk = 0.0021598
k( 295) = ( 0.2779311 0.0000000 -0.2779311), wk = 0.0021598
k( 296) = ( 0.2827230 0.0000000 -0.2827230), wk = 0.0021598
k( 297) = ( 0.2875149 -0.0000000 -0.2875149), wk = 0.0021598
k( 298) = ( 0.2923069 -0.0000000 -0.2923069), wk = 0.0021598
k( 299) = ( 0.2970988 0.0000000 -0.2970988), wk = 0.0021598
k( 300) = ( 0.3018907 -0.0000000 -0.3018907), wk = 0.0021598
k( 301) = ( 0.3066826 0.0000000 -0.3066826), wk = 0.0021598
k( 302) = ( 0.3114745 0.0000000 -0.3114745), wk = 0.0021598
k( 303) = ( 0.3162664 -0.0000000 -0.3162664), wk = 0.0021598
k( 304) = ( 0.3210583 0.0000000 -0.3210584), wk = 0.0021598
k( 305) = ( 0.3258503 0.0000000 -0.3258503), wk = 0.0021598
k( 306) = ( 0.3306422 -0.0000000 -0.3306422), wk = 0.0021598
k( 307) = ( 0.3354341 -0.0000000 -0.3354341), wk = 0.0021598
k( 308) = ( 0.3402260 -0.0000000 -0.3402260), wk = 0.0021598
k( 309) = ( 0.3450179 -0.0000000 -0.3450179), wk = 0.0021598
k( 310) = ( 0.3498098 0.0000000 -0.3498098), wk = 0.0021598
k( 311) = ( 0.3546018 -0.0000000 -0.3546018), wk = 0.0021598
k( 312) = ( 0.3593937 -0.0000000 -0.3593937), wk = 0.0021598
k( 313) = ( 0.3641856 -0.0000000 -0.3641856), wk = 0.0021598
k( 314) = ( 0.3689775 -0.0000000 -0.3689775), wk = 0.0021598
k( 315) = ( 0.3737694 -0.0000000 -0.3737694), wk = 0.0021598
k( 316) = ( 0.6262306 0.3737694 0.0000000), wk = 0.0021598
k( 317) = ( 0.6215554 0.3784446 0.0000000), wk = 0.0021598
k( 318) = ( 0.6168802 0.3831198 0.0000000), wk = 0.0021598
k( 319) = ( 0.6122050 0.3877950 0.0000000), wk = 0.0021598
k( 320) = ( 0.6075297 0.3924702 0.0000000), wk = 0.0021598
k( 321) = ( 0.6028545 0.3971455 0.0000000), wk = 0.0021598
k( 322) = ( 0.5981793 0.4018207 0.0000000), wk = 0.0021598
k( 323) = ( 0.5935041 0.4064959 0.0000000), wk = 0.0021598
k( 324) = ( 0.5888289 0.4111711 0.0000000), wk = 0.0021598
k( 325) = ( 0.5841537 0.4158463 0.0000000), wk = 0.0021598
k( 326) = ( 0.5794785 0.4205215 0.0000000), wk = 0.0021598
k( 327) = ( 0.5748033 0.4251967 0.0000000), wk = 0.0021598
k( 328) = ( 0.5701281 0.4298719 0.0000000), wk = 0.0021598
k( 329) = ( 0.5654529 0.4345471 0.0000000), wk = 0.0021598
k( 330) = ( 0.5607777 0.4392223 0.0000000), wk = 0.0021598
k( 331) = ( 0.5561025 0.4438975 0.0000000), wk = 0.0021598
k( 332) = ( 0.5514273 0.4485727 0.0000000), wk = 0.0021598
k( 333) = ( 0.5467521 0.4532479 0.0000000), wk = 0.0021598
k( 334) = ( 0.5420769 0.4579231 0.0000000), wk = 0.0021598
k( 335) = ( 0.5374016 0.4625983 0.0000000), wk = 0.0021598
k( 336) = ( 0.5327264 0.4672735 0.0000000), wk = 0.0021598
k( 337) = ( 0.5280512 0.4719488 0.0000000), wk = 0.0021598
k( 338) = ( 0.5233760 0.4766240 0.0000000), wk = 0.0021598
k( 339) = ( 0.5187008 0.4812992 0.0000000), wk = 0.0021598
k( 340) = ( 0.5140256 0.4859744 0.0000000), wk = 0.0021598
k( 341) = ( 0.5093504 0.4906496 0.0000000), wk = 0.0021598
k( 342) = ( 0.5046752 0.4953248 0.0000000), wk = 0.0021598
k( 343) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021598
k( 344) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021598
k( 345) = ( 0.5048550 0.5048550 0.0095207), wk = 0.0021598
k( 346) = ( 0.5097100 0.5097100 0.0190415), wk = 0.0021598
k( 347) = ( 0.5145651 0.5145651 0.0285622), wk = 0.0021598
k( 348) = ( 0.5194201 0.5194201 0.0380829), wk = 0.0021598
k( 349) = ( 0.5242751 0.5242751 0.0476036), wk = 0.0021598
k( 350) = ( 0.5291301 0.5291301 0.0571243), wk = 0.0021598
k( 351) = ( 0.5339852 0.5339852 0.0666451), wk = 0.0021598
k( 352) = ( 0.5388402 0.5388402 0.0761658), wk = 0.0021598
k( 353) = ( 0.5436952 0.5436952 0.0856865), wk = 0.0021598
k( 354) = ( 0.5485502 0.5485502 0.0952072), wk = 0.0021598
k( 355) = ( 0.5534052 0.5534052 0.1047280), wk = 0.0021598
k( 356) = ( 0.5582603 0.5582603 0.1142487), wk = 0.0021598
k( 357) = ( 0.5631153 0.5631153 0.1237694), wk = 0.0021598
k( 358) = ( 0.5679703 0.5679703 0.1332901), wk = 0.0021598
k( 359) = ( 0.5728253 0.5728253 0.1428109), wk = 0.0021598
k( 360) = ( 0.5776804 0.5776804 0.1523316), wk = 0.0021598
k( 361) = ( 0.5825354 0.5825354 0.1618523), wk = 0.0021598
k( 362) = ( 0.5873904 0.5873904 0.1713731), wk = 0.0021598
k( 363) = ( 0.5922454 0.5922454 0.1808938), wk = 0.0021598
k( 364) = ( 0.5971004 0.5971004 0.1904145), wk = 0.0021598
k( 365) = ( 0.6019555 0.6019555 0.1999352), wk = 0.0021598
k( 366) = ( 0.6068105 0.6068105 0.2094560), wk = 0.0021598
k( 367) = ( 0.6116655 0.6116655 0.2189767), wk = 0.0021598
k( 368) = ( 0.6165205 0.6165205 0.2284974), wk = 0.0021598
k( 369) = ( 0.6213756 0.6213756 0.2380181), wk = 0.0021598
k( 370) = ( 0.6262306 0.6262306 0.2475388), wk = 0.0021598
k( 371) = ( 0.6262306 0.6262306 0.2475388), wk = 0.0021598
k( 372) = ( 0.6234864 0.6234864 0.2530271), wk = 0.0021598
k( 373) = ( 0.6207423 0.6207423 0.2585154), wk = 0.0021598
k( 374) = ( 0.6179982 0.6179982 0.2640037), wk = 0.0021598
k( 375) = ( 0.6152540 0.6152540 0.2694920), wk = 0.0021598
k( 376) = ( 0.6125099 0.6125099 0.2749803), wk = 0.0021598
k( 377) = ( 0.6097657 0.6097657 0.2804686), wk = 0.0021598
k( 378) = ( 0.6070216 0.6070216 0.2859569), wk = 0.0021598
k( 379) = ( 0.6042774 0.6042774 0.2914451), wk = 0.0021598
k( 380) = ( 0.6015333 0.6015333 0.2969334), wk = 0.0021598
k( 381) = ( 0.5987891 0.5987891 0.3024217), wk = 0.0021598
k( 382) = ( 0.5960450 0.5960450 0.3079100), wk = 0.0021598
k( 383) = ( 0.5933009 0.5933009 0.3133983), wk = 0.0021598
k( 384) = ( 0.5905567 0.5905567 0.3188866), wk = 0.0021598
k( 385) = ( 0.5878126 0.5878126 0.3243748), wk = 0.0021598
k( 386) = ( 0.5850684 0.5850684 0.3298631), wk = 0.0021598
k( 387) = ( 0.5823243 0.5823243 0.3353514), wk = 0.0021598
k( 388) = ( 0.5795801 0.5795801 0.3408397), wk = 0.0021598
k( 389) = ( 0.5768360 0.5768360 0.3463280), wk = 0.0021598
k( 390) = ( 0.5740919 0.5740919 0.3518163), wk = 0.0021598
k( 391) = ( 0.5713477 0.5713477 0.3573046), wk = 0.0021598
k( 392) = ( 0.5686036 0.5686036 0.3627929), wk = 0.0021598
k( 393) = ( 0.5658594 0.5658594 0.3682811), wk = 0.0021598
k( 394) = ( 0.5631153 0.5631153 0.3737694), wk = 0.0021598
k( 395) = ( 0.5603712 0.5603711 0.3792577), wk = 0.0021598
k( 396) = ( 0.5576270 0.5576270 0.3847460), wk = 0.0021598
k( 397) = ( 0.5548829 0.5548829 0.3902343), wk = 0.0021598
k( 398) = ( 0.5521387 0.5521387 0.3957226), wk = 0.0021598
k( 399) = ( 0.5493946 0.5493946 0.4012108), wk = 0.0021598
k( 400) = ( 0.5466504 0.5466504 0.4066991), wk = 0.0021598
k( 401) = ( 0.5439063 0.5439063 0.4121874), wk = 0.0021598
k( 402) = ( 0.5411621 0.5411621 0.4176757), wk = 0.0021598
k( 403) = ( 0.5384180 0.5384180 0.4231640), wk = 0.0021598
k( 404) = ( 0.5356739 0.5356739 0.4286523), wk = 0.0021598
k( 405) = ( 0.5329297 0.5329297 0.4341406), wk = 0.0021598
k( 406) = ( 0.5301856 0.5301856 0.4396288), wk = 0.0021598
k( 407) = ( 0.5274414 0.5274414 0.4451171), wk = 0.0021598
k( 408) = ( 0.5246973 0.5246973 0.4506054), wk = 0.0021598
k( 409) = ( 0.5219531 0.5219531 0.4560937), wk = 0.0021598
k( 410) = ( 0.5192090 0.5192090 0.4615820), wk = 0.0021598
k( 411) = ( 0.5164649 0.5164649 0.4670703), wk = 0.0021598
k( 412) = ( 0.5137207 0.5137207 0.4725586), wk = 0.0021598
k( 413) = ( 0.5109766 0.5109766 0.4780469), wk = 0.0021598
k( 414) = ( 0.5082324 0.5082324 0.4835351), wk = 0.0021598
k( 415) = ( 0.5054883 0.5054883 0.4890234), wk = 0.0021598
k( 416) = ( 0.5027441 0.5027441 0.4945117), wk = 0.0021598
k( 417) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598
k( 418) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021598
k( 419) = ( 0.5056103 0.0083060 0.0083060), wk = 0.0021598
k( 420) = ( 0.5112205 0.0166120 0.0166120), wk = 0.0021598
k( 421) = ( 0.5168307 0.0249180 0.0249180), wk = 0.0021598
k( 422) = ( 0.5224410 0.0332239 0.0332239), wk = 0.0021598
k( 423) = ( 0.5280512 0.0415299 0.0415299), wk = 0.0021598
k( 424) = ( 0.5336615 0.0498359 0.0498359), wk = 0.0021598
k( 425) = ( 0.5392717 0.0581419 0.0581419), wk = 0.0021598
k( 426) = ( 0.5448820 0.0664479 0.0664479), wk = 0.0021598
k( 427) = ( 0.5504922 0.0747539 0.0747539), wk = 0.0021598
k( 428) = ( 0.5561025 0.0830599 0.0830599), wk = 0.0021598
k( 429) = ( 0.5617127 0.0913659 0.0913659), wk = 0.0021598
k( 430) = ( 0.5673230 0.0996718 0.0996719), wk = 0.0021598
k( 431) = ( 0.5729332 0.1079778 0.1079778), wk = 0.0021598
k( 432) = ( 0.5785435 0.1162838 0.1162838), wk = 0.0021598
k( 433) = ( 0.5841537 0.1245898 0.1245898), wk = 0.0021598
k( 434) = ( 0.5897640 0.1328958 0.1328958), wk = 0.0021598
k( 435) = ( 0.5953742 0.1412018 0.1412018), wk = 0.0021598
k( 436) = ( 0.6009845 0.1495078 0.1495078), wk = 0.0021598
k( 437) = ( 0.6065947 0.1578138 0.1578138), wk = 0.0021598
k( 438) = ( 0.6122050 0.1661197 0.1661197), wk = 0.0021598
k( 439) = ( 0.6178152 0.1744257 0.1744257), wk = 0.0021598
k( 440) = ( 0.6234255 0.1827317 0.1827317), wk = 0.0021598
k( 441) = ( 0.6290357 0.1910377 0.1910377), wk = 0.0021598
k( 442) = ( 0.6346460 0.1993437 0.1993437), wk = 0.0021598
k( 443) = ( 0.6402562 0.2076497 0.2076497), wk = 0.0021598
k( 444) = ( 0.6458664 0.2159557 0.2159557), wk = 0.0021598
k( 445) = ( 0.6514767 0.2242617 0.2242617), wk = 0.0021598
k( 446) = ( 0.6570869 0.2325676 0.2325676), wk = 0.0021598
k( 447) = ( 0.6626972 0.2408736 0.2408736), wk = 0.0021598
k( 448) = ( 0.6683074 0.2491796 0.2491796), wk = 0.0021598
k( 449) = ( 0.6739177 0.2574856 0.2574856), wk = 0.0021598
k( 450) = ( 0.6795279 0.2657916 0.2657916), wk = 0.0021598
k( 451) = ( 0.6851382 0.2740976 0.2740976), wk = 0.0021598
k( 452) = ( 0.6907484 0.2824036 0.2824036), wk = 0.0021598
k( 453) = ( 0.6963587 0.2907095 0.2907096), wk = 0.0021598
k( 454) = ( 0.7019689 0.2990155 0.2990155), wk = 0.0021598
k( 455) = ( 0.7075792 0.3073215 0.3073215), wk = 0.0021598
k( 456) = ( 0.7131894 0.3156275 0.3156275), wk = 0.0021598
k( 457) = ( 0.7187997 0.3239335 0.3239335), wk = 0.0021598
k( 458) = ( 0.7244099 0.3322395 0.3322395), wk = 0.0021598
k( 459) = ( 0.7300202 0.3405455 0.3405455), wk = 0.0021598
k( 460) = ( 0.7356304 0.3488515 0.3488515), wk = 0.0021598
k( 461) = ( 0.7412407 0.3571574 0.3571574), wk = 0.0021598
k( 462) = ( 0.7468509 0.3654634 0.3654634), wk = 0.0021598
k( 463) = ( 0.7524612 0.3737694 0.3737694), wk = 0.0021598
Dense grid: 13413 G-vectors FFT dimensions: ( 36, 36, 36)
Smooth grid: 5901 G-vectors FFT dimensions: ( 25, 25, 25)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.02 Mb ( 46, 22)
NL pseudopotentials 0.02 Mb ( 23, 48)
Each V/rho on FFT grid 0.04 Mb ( 2592)
Each G-vector array 0.00 Mb ( 422)
G-vector shells 0.00 Mb ( 345)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.06 Mb ( 46, 88)
Each subspace H/S matrix 0.12 Mb ( 88, 88)
Each <psi_i|beta_j> matrix 0.03 Mb ( 48, 2, 22)
The potential is recalculated from file :
./FeO.save/charge-density.dat
Starting wfc are 26 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.6 secs
Computing kpt #: 2
total cpu time spent up to now is 3.7 secs
Computing kpt #: 3
total cpu time spent up to now is 3.8 secs
Computing kpt #: 4
total cpu time spent up to now is 4.0 secs
Computing kpt #: 5
total cpu time spent up to now is 4.1 secs
Computing kpt #: 6
total cpu time spent up to now is 4.2 secs
Computing kpt #: 7
total cpu time spent up to now is 4.3 secs
Computing kpt #: 8
total cpu time spent up to now is 4.5 secs
Computing kpt #: 9
total cpu time spent up to now is 4.6 secs
Computing kpt #: 10
total cpu time spent up to now is 4.7 secs
Computing kpt #: 11
total cpu time spent up to now is 4.8 secs
Computing kpt #: 12
total cpu time spent up to now is 4.9 secs
Computing kpt #: 13
total cpu time spent up to now is 5.0 secs
Computing kpt #: 14
total cpu time spent up to now is 5.1 secs
Computing kpt #: 15
total cpu time spent up to now is 5.2 secs
Computing kpt #: 16
total cpu time spent up to now is 5.3 secs
Computing kpt #: 17
total cpu time spent up to now is 5.4 secs
Computing kpt #: 18
total cpu time spent up to now is 5.5 secs
Computing kpt #: 19
total cpu time spent up to now is 5.6 secs
Computing kpt #: 20
total cpu time spent up to now is 5.7 secs
Computing kpt #: 21
total cpu time spent up to now is 5.8 secs
Computing kpt #: 22
total cpu time spent up to now is 5.9 secs
Computing kpt #: 23
total cpu time spent up to now is 6.0 secs
Computing kpt #: 24
total cpu time spent up to now is 6.1 secs
Computing kpt #: 25
total cpu time spent up to now is 6.2 secs
Computing kpt #: 26
total cpu time spent up to now is 6.3 secs
Computing kpt #: 27
total cpu time spent up to now is 6.4 secs
Computing kpt #: 28
total cpu time spent up to now is 6.5 secs
Computing kpt #: 29
total cpu time spent up to now is 6.6 secs
Computing kpt #: 30
total cpu time spent up to now is 6.7 secs
Computing kpt #: 31
total cpu time spent up to now is 6.7 secs
Computing kpt #: 32
total cpu time spent up to now is 6.8 secs
Computing kpt #: 33
total cpu time spent up to now is 6.9 secs
Computing kpt #: 34
total cpu time spent up to now is 7.0 secs
Computing kpt #: 35
total cpu time spent up to now is 7.1 secs
Computing kpt #: 36
total cpu time spent up to now is 7.2 secs
Computing kpt #: 37
total cpu time spent up to now is 7.3 secs
Computing kpt #: 38
total cpu time spent up to now is 7.4 secs
Computing kpt #: 39
total cpu time spent up to now is 7.5 secs
Computing kpt #: 40
total cpu time spent up to now is 7.6 secs
Computing kpt #: 41
total cpu time spent up to now is 7.6 secs
Computing kpt #: 42
total cpu time spent up to now is 7.7 secs
Computing kpt #: 43
total cpu time spent up to now is 7.8 secs
Computing kpt #: 44
total cpu time spent up to now is 7.9 secs
Computing kpt #: 45
total cpu time spent up to now is 8.0 secs
Computing kpt #: 46
total cpu time spent up to now is 8.1 secs
Computing kpt #: 47
total cpu time spent up to now is 8.2 secs
Computing kpt #: 48
total cpu time spent up to now is 8.3 secs
Computing kpt #: 49
total cpu time spent up to now is 8.4 secs
Computing kpt #: 50
total cpu time spent up to now is 8.4 secs
Computing kpt #: 51
total cpu time spent up to now is 8.5 secs
Computing kpt #: 52
total cpu time spent up to now is 8.6 secs
Computing kpt #: 53
total cpu time spent up to now is 8.7 secs
Computing kpt #: 54
total cpu time spent up to now is 8.8 secs
Computing kpt #: 55
total cpu time spent up to now is 8.9 secs
Computing kpt #: 56
total cpu time spent up to now is 9.0 secs
Computing kpt #: 57
total cpu time spent up to now is 9.1 secs
Computing kpt #: 58
total cpu time spent up to now is 9.2 secs
Computing kpt #: 59
total cpu time spent up to now is 9.2 secs
Computing kpt #: 60
total cpu time spent up to now is 9.3 secs
Computing kpt #: 61
total cpu time spent up to now is 9.4 secs
Computing kpt #: 62
total cpu time spent up to now is 9.5 secs
Computing kpt #: 63
total cpu time spent up to now is 9.6 secs
Computing kpt #: 64
total cpu time spent up to now is 9.7 secs
Computing kpt #: 65
total cpu time spent up to now is 9.7 secs
Computing kpt #: 66
total cpu time spent up to now is 9.8 secs
Computing kpt #: 67
total cpu time spent up to now is 9.9 secs
Computing kpt #: 68
total cpu time spent up to now is 10.0 secs
Computing kpt #: 69
total cpu time spent up to now is 10.1 secs
Computing kpt #: 70
total cpu time spent up to now is 10.2 secs
Computing kpt #: 71
total cpu time spent up to now is 10.2 secs
Computing kpt #: 72
total cpu time spent up to now is 10.3 secs
Computing kpt #: 73
total cpu time spent up to now is 10.4 secs
Computing kpt #: 74
total cpu time spent up to now is 10.5 secs
Computing kpt #: 75
total cpu time spent up to now is 10.6 secs
Computing kpt #: 76
total cpu time spent up to now is 10.7 secs
Computing kpt #: 77
total cpu time spent up to now is 10.8 secs
Computing kpt #: 78
total cpu time spent up to now is 10.9 secs
Computing kpt #: 79
total cpu time spent up to now is 10.9 secs
Computing kpt #: 80
total cpu time spent up to now is 11.0 secs
Computing kpt #: 81
total cpu time spent up to now is 11.1 secs
Computing kpt #: 82
total cpu time spent up to now is 11.2 secs
Computing kpt #: 83
total cpu time spent up to now is 11.3 secs
Computing kpt #: 84
total cpu time spent up to now is 11.4 secs
Computing kpt #: 85
total cpu time spent up to now is 11.4 secs
Computing kpt #: 86
total cpu time spent up to now is 11.5 secs
Computing kpt #: 87
total cpu time spent up to now is 11.6 secs
Computing kpt #: 88
total cpu time spent up to now is 11.7 secs
Computing kpt #: 89
total cpu time spent up to now is 11.8 secs
Computing kpt #: 90
total cpu time spent up to now is 11.9 secs
Computing kpt #: 91
total cpu time spent up to now is 12.0 secs
Computing kpt #: 92
total cpu time spent up to now is 12.2 secs
Computing kpt #: 93
total cpu time spent up to now is 12.3 secs
Computing kpt #: 94
total cpu time spent up to now is 12.4 secs
Computing kpt #: 95
total cpu time spent up to now is 12.5 secs
Computing kpt #: 96
total cpu time spent up to now is 12.6 secs
Computing kpt #: 97
total cpu time spent up to now is 12.7 secs
Computing kpt #: 98
total cpu time spent up to now is 12.8 secs
Computing kpt #: 99
total cpu time spent up to now is 12.9 secs
Computing kpt #: 100
total cpu time spent up to now is 13.0 secs
Computing kpt #: 101
total cpu time spent up to now is 13.1 secs
Computing kpt #: 102
total cpu time spent up to now is 13.2 secs
Computing kpt #: 103
total cpu time spent up to now is 13.3 secs
Computing kpt #: 104
total cpu time spent up to now is 13.4 secs
Computing kpt #: 105
total cpu time spent up to now is 13.6 secs
Computing kpt #: 106
total cpu time spent up to now is 13.7 secs
Computing kpt #: 107
total cpu time spent up to now is 13.8 secs
Computing kpt #: 108
total cpu time spent up to now is 13.9 secs
Computing kpt #: 109
total cpu time spent up to now is 14.0 secs
Computing kpt #: 110
total cpu time spent up to now is 14.1 secs
Computing kpt #: 111
total cpu time spent up to now is 14.2 secs
Computing kpt #: 112
total cpu time spent up to now is 14.4 secs
Computing kpt #: 113
total cpu time spent up to now is 14.5 secs
Computing kpt #: 114
total cpu time spent up to now is 14.6 secs
Computing kpt #: 115
total cpu time spent up to now is 14.7 secs
Computing kpt #: 116
total cpu time spent up to now is 14.8 secs
Computing kpt #: 117
total cpu time spent up to now is 15.0 secs
Computing kpt #: 118
total cpu time spent up to now is 15.1 secs
Computing kpt #: 119
total cpu time spent up to now is 15.3 secs
Computing kpt #: 120
total cpu time spent up to now is 15.4 secs
Computing kpt #: 121
total cpu time spent up to now is 15.5 secs
Computing kpt #: 122
total cpu time spent up to now is 15.7 secs
Computing kpt #: 123
total cpu time spent up to now is 15.8 secs
Computing kpt #: 124
total cpu time spent up to now is 15.9 secs
Computing kpt #: 125
total cpu time spent up to now is 16.1 secs
Computing kpt #: 126
total cpu time spent up to now is 16.2 secs
Computing kpt #: 127
total cpu time spent up to now is 16.3 secs
Computing kpt #: 128
total cpu time spent up to now is 16.4 secs
Computing kpt #: 129
total cpu time spent up to now is 16.5 secs
Computing kpt #: 130
total cpu time spent up to now is 16.7 secs
Computing kpt #: 131
total cpu time spent up to now is 16.8 secs
Computing kpt #: 132
total cpu time spent up to now is 16.9 secs
Computing kpt #: 133
total cpu time spent up to now is 17.0 secs
Computing kpt #: 134
total cpu time spent up to now is 17.1 secs
Computing kpt #: 135
total cpu time spent up to now is 17.2 secs
Computing kpt #: 136
total cpu time spent up to now is 17.3 secs
Computing kpt #: 137
total cpu time spent up to now is 17.4 secs
Computing kpt #: 138
total cpu time spent up to now is 17.4 secs
Computing kpt #: 139
total cpu time spent up to now is 17.5 secs
Computing kpt #: 140
total cpu time spent up to now is 17.6 secs
Computing kpt #: 141
total cpu time spent up to now is 17.7 secs
Computing kpt #: 142
total cpu time spent up to now is 17.8 secs
Computing kpt #: 143
total cpu time spent up to now is 17.9 secs
Computing kpt #: 144
total cpu time spent up to now is 18.0 secs
Computing kpt #: 145
total cpu time spent up to now is 18.1 secs
Computing kpt #: 146
total cpu time spent up to now is 18.2 secs
Computing kpt #: 147
total cpu time spent up to now is 18.3 secs
Computing kpt #: 148
total cpu time spent up to now is 18.4 secs
Computing kpt #: 149
total cpu time spent up to now is 18.5 secs
Computing kpt #: 150
total cpu time spent up to now is 18.6 secs
Computing kpt #: 151
total cpu time spent up to now is 18.7 secs
Computing kpt #: 152
total cpu time spent up to now is 18.7 secs
Computing kpt #: 153
total cpu time spent up to now is 18.8 secs
Computing kpt #: 154
total cpu time spent up to now is 18.9 secs
Computing kpt #: 155
total cpu time spent up to now is 19.0 secs
Computing kpt #: 156
total cpu time spent up to now is 19.1 secs
Computing kpt #: 157
total cpu time spent up to now is 19.2 secs
Computing kpt #: 158
total cpu time spent up to now is 19.3 secs
Computing kpt #: 159
total cpu time spent up to now is 19.4 secs
Computing kpt #: 160
total cpu time spent up to now is 19.4 secs
Computing kpt #: 161
total cpu time spent up to now is 19.5 secs
Computing kpt #: 162
total cpu time spent up to now is 19.6 secs
Computing kpt #: 163
total cpu time spent up to now is 19.7 secs
Computing kpt #: 164
total cpu time spent up to now is 19.8 secs
Computing kpt #: 165
total cpu time spent up to now is 19.9 secs
Computing kpt #: 166
total cpu time spent up to now is 20.0 secs
Computing kpt #: 167
total cpu time spent up to now is 20.0 secs
Computing kpt #: 168
total cpu time spent up to now is 20.1 secs
Computing kpt #: 169
total cpu time spent up to now is 20.2 secs
Computing kpt #: 170
total cpu time spent up to now is 20.3 secs
Computing kpt #: 171
total cpu time spent up to now is 20.4 secs
Computing kpt #: 172
total cpu time spent up to now is 20.4 secs
Computing kpt #: 173
total cpu time spent up to now is 20.5 secs
Computing kpt #: 174
total cpu time spent up to now is 20.6 secs
Computing kpt #: 175
total cpu time spent up to now is 20.7 secs
Computing kpt #: 176
total cpu time spent up to now is 20.8 secs
Computing kpt #: 177
total cpu time spent up to now is 20.9 secs
Computing kpt #: 178
total cpu time spent up to now is 20.9 secs
Computing kpt #: 179
total cpu time spent up to now is 21.0 secs
Computing kpt #: 180
total cpu time spent up to now is 21.1 secs
Computing kpt #: 181
total cpu time spent up to now is 21.2 secs
Computing kpt #: 182
total cpu time spent up to now is 21.3 secs
Computing kpt #: 183
total cpu time spent up to now is 21.4 secs
Computing kpt #: 184
total cpu time spent up to now is 21.4 secs
Computing kpt #: 185
total cpu time spent up to now is 21.5 secs
Computing kpt #: 186
total cpu time spent up to now is 21.6 secs
Computing kpt #: 187
total cpu time spent up to now is 21.7 secs
Computing kpt #: 188
total cpu time spent up to now is 21.8 secs
Computing kpt #: 189
total cpu time spent up to now is 21.9 secs
Computing kpt #: 190
total cpu time spent up to now is 22.0 secs
Computing kpt #: 191
total cpu time spent up to now is 22.0 secs
Computing kpt #: 192
total cpu time spent up to now is 22.1 secs
Computing kpt #: 193
total cpu time spent up to now is 22.2 secs
Computing kpt #: 194
total cpu time spent up to now is 22.3 secs
Computing kpt #: 195
total cpu time spent up to now is 22.4 secs
Computing kpt #: 196
total cpu time spent up to now is 22.5 secs
Computing kpt #: 197
total cpu time spent up to now is 22.6 secs
Computing kpt #: 198
total cpu time spent up to now is 22.7 secs
Computing kpt #: 199
total cpu time spent up to now is 22.8 secs
Computing kpt #: 200
total cpu time spent up to now is 22.9 secs
Computing kpt #: 201
total cpu time spent up to now is 23.0 secs
Computing kpt #: 202
total cpu time spent up to now is 23.1 secs
Computing kpt #: 203
total cpu time spent up to now is 23.1 secs
Computing kpt #: 204
total cpu time spent up to now is 23.2 secs
Computing kpt #: 205
total cpu time spent up to now is 23.3 secs
Computing kpt #: 206
total cpu time spent up to now is 23.4 secs
Computing kpt #: 207
total cpu time spent up to now is 23.5 secs
Computing kpt #: 208
total cpu time spent up to now is 23.6 secs
Computing kpt #: 209
total cpu time spent up to now is 23.7 secs
Computing kpt #: 210
total cpu time spent up to now is 23.8 secs
Computing kpt #: 211
total cpu time spent up to now is 23.9 secs
Computing kpt #: 212
total cpu time spent up to now is 24.0 secs
Computing kpt #: 213
total cpu time spent up to now is 24.0 secs
Computing kpt #: 214
total cpu time spent up to now is 24.1 secs
Computing kpt #: 215
total cpu time spent up to now is 24.2 secs
Computing kpt #: 216
total cpu time spent up to now is 24.3 secs
Computing kpt #: 217
total cpu time spent up to now is 24.4 secs
Computing kpt #: 218
total cpu time spent up to now is 24.5 secs
Computing kpt #: 219
total cpu time spent up to now is 24.6 secs
Computing kpt #: 220
total cpu time spent up to now is 24.7 secs
Computing kpt #: 221
total cpu time spent up to now is 24.8 secs
Computing kpt #: 222
total cpu time spent up to now is 24.9 secs
Computing kpt #: 223
total cpu time spent up to now is 25.0 secs
Computing kpt #: 224
total cpu time spent up to now is 25.1 secs
Computing kpt #: 225
total cpu time spent up to now is 25.2 secs
Computing kpt #: 226
total cpu time spent up to now is 25.3 secs
Computing kpt #: 227
total cpu time spent up to now is 25.4 secs
Computing kpt #: 228
total cpu time spent up to now is 25.5 secs
Computing kpt #: 229
total cpu time spent up to now is 25.6 secs
Computing kpt #: 230
total cpu time spent up to now is 25.7 secs
Computing kpt #: 231
total cpu time spent up to now is 25.8 secs
Computing kpt #: 232
total cpu time spent up to now is 25.9 secs
Computing kpt #: 233
total cpu time spent up to now is 26.0 secs
Computing kpt #: 234
total cpu time spent up to now is 26.1 secs
Computing kpt #: 235
total cpu time spent up to now is 26.3 secs
Computing kpt #: 236
total cpu time spent up to now is 26.4 secs
Computing kpt #: 237
total cpu time spent up to now is 26.5 secs
Computing kpt #: 238
total cpu time spent up to now is 26.7 secs
Computing kpt #: 239
total cpu time spent up to now is 26.8 secs
Computing kpt #: 240
total cpu time spent up to now is 26.9 secs
Computing kpt #: 241
total cpu time spent up to now is 27.0 secs
Computing kpt #: 242
total cpu time spent up to now is 27.1 secs
Computing kpt #: 243
total cpu time spent up to now is 27.3 secs
Computing kpt #: 244
total cpu time spent up to now is 27.4 secs
Computing kpt #: 245
total cpu time spent up to now is 27.5 secs
Computing kpt #: 246
total cpu time spent up to now is 27.6 secs
Computing kpt #: 247
total cpu time spent up to now is 27.7 secs
Computing kpt #: 248
total cpu time spent up to now is 27.8 secs
Computing kpt #: 249
total cpu time spent up to now is 27.9 secs
Computing kpt #: 250
total cpu time spent up to now is 28.0 secs
Computing kpt #: 251
total cpu time spent up to now is 28.1 secs
Computing kpt #: 252
total cpu time spent up to now is 28.2 secs
Computing kpt #: 253
total cpu time spent up to now is 28.3 secs
Computing kpt #: 254
total cpu time spent up to now is 28.4 secs
Computing kpt #: 255
total cpu time spent up to now is 28.5 secs
Computing kpt #: 256
total cpu time spent up to now is 28.5 secs
Computing kpt #: 257
total cpu time spent up to now is 28.6 secs
Computing kpt #: 258
total cpu time spent up to now is 28.7 secs
Computing kpt #: 259
total cpu time spent up to now is 28.8 secs
Computing kpt #: 260
total cpu time spent up to now is 28.9 secs
Computing kpt #: 261
total cpu time spent up to now is 29.0 secs
Computing kpt #: 262
total cpu time spent up to now is 29.1 secs
Computing kpt #: 263
total cpu time spent up to now is 29.2 secs
Computing kpt #: 264
total cpu time spent up to now is 29.3 secs
Computing kpt #: 265
total cpu time spent up to now is 29.4 secs
Computing kpt #: 266
total cpu time spent up to now is 29.5 secs
Computing kpt #: 267
total cpu time spent up to now is 29.5 secs
Computing kpt #: 268
total cpu time spent up to now is 29.6 secs
Computing kpt #: 269
total cpu time spent up to now is 29.7 secs
Computing kpt #: 270
total cpu time spent up to now is 29.8 secs
Computing kpt #: 271
total cpu time spent up to now is 29.9 secs
Computing kpt #: 272
total cpu time spent up to now is 30.0 secs
Computing kpt #: 273
total cpu time spent up to now is 30.1 secs
Computing kpt #: 274
total cpu time spent up to now is 30.2 secs
Computing kpt #: 275
total cpu time spent up to now is 30.3 secs
Computing kpt #: 276
total cpu time spent up to now is 30.4 secs
Computing kpt #: 277
total cpu time spent up to now is 30.5 secs
Computing kpt #: 278
total cpu time spent up to now is 30.5 secs
Computing kpt #: 279
total cpu time spent up to now is 30.6 secs
Computing kpt #: 280
total cpu time spent up to now is 30.7 secs
Computing kpt #: 281
total cpu time spent up to now is 30.8 secs
Computing kpt #: 282
total cpu time spent up to now is 30.9 secs
Computing kpt #: 283
total cpu time spent up to now is 31.0 secs
Computing kpt #: 284
total cpu time spent up to now is 31.1 secs
Computing kpt #: 285
total cpu time spent up to now is 31.2 secs
Computing kpt #: 286
total cpu time spent up to now is 31.3 secs
Computing kpt #: 287
total cpu time spent up to now is 31.4 secs
Computing kpt #: 288
total cpu time spent up to now is 31.5 secs
Computing kpt #: 289
total cpu time spent up to now is 31.6 secs
Computing kpt #: 290
total cpu time spent up to now is 31.7 secs
Computing kpt #: 291
total cpu time spent up to now is 31.8 secs
Computing kpt #: 292
total cpu time spent up to now is 32.0 secs
Computing kpt #: 293
total cpu time spent up to now is 32.1 secs
Computing kpt #: 294
total cpu time spent up to now is 32.2 secs
Computing kpt #: 295
total cpu time spent up to now is 32.4 secs
Computing kpt #: 296
total cpu time spent up to now is 32.5 secs
Computing kpt #: 297
total cpu time spent up to now is 32.7 secs
Computing kpt #: 298
total cpu time spent up to now is 32.8 secs
Computing kpt #: 299
total cpu time spent up to now is 32.9 secs
Computing kpt #: 300
total cpu time spent up to now is 33.1 secs
Computing kpt #: 301
total cpu time spent up to now is 33.2 secs
Computing kpt #: 302
total cpu time spent up to now is 33.4 secs
Computing kpt #: 303
total cpu time spent up to now is 33.5 secs
Computing kpt #: 304
total cpu time spent up to now is 33.6 secs
Computing kpt #: 305
total cpu time spent up to now is 33.7 secs
Computing kpt #: 306
total cpu time spent up to now is 33.8 secs
Computing kpt #: 307
total cpu time spent up to now is 34.0 secs
Computing kpt #: 308
total cpu time spent up to now is 34.1 secs
Computing kpt #: 309
total cpu time spent up to now is 34.2 secs
Computing kpt #: 310
total cpu time spent up to now is 34.3 secs
Computing kpt #: 311
total cpu time spent up to now is 34.5 secs
Computing kpt #: 312
total cpu time spent up to now is 34.6 secs
Computing kpt #: 313
total cpu time spent up to now is 34.8 secs
Computing kpt #: 314
total cpu time spent up to now is 34.9 secs
Computing kpt #: 315
total cpu time spent up to now is 35.0 secs
Computing kpt #: 316
total cpu time spent up to now is 35.1 secs
Computing kpt #: 317
total cpu time spent up to now is 35.2 secs
Computing kpt #: 318
total cpu time spent up to now is 35.3 secs
Computing kpt #: 319
total cpu time spent up to now is 35.5 secs
Computing kpt #: 320
total cpu time spent up to now is 35.6 secs
Computing kpt #: 321
total cpu time spent up to now is 35.7 secs
Computing kpt #: 322
total cpu time spent up to now is 35.8 secs
Computing kpt #: 323
total cpu time spent up to now is 35.9 secs
Computing kpt #: 324
total cpu time spent up to now is 36.0 secs
Computing kpt #: 325
total cpu time spent up to now is 36.1 secs
Computing kpt #: 326
total cpu time spent up to now is 36.2 secs
Computing kpt #: 327
total cpu time spent up to now is 36.3 secs
Computing kpt #: 328
total cpu time spent up to now is 36.4 secs
Computing kpt #: 329
total cpu time spent up to now is 36.4 secs
Computing kpt #: 330
total cpu time spent up to now is 36.5 secs
Computing kpt #: 331
total cpu time spent up to now is 36.6 secs
Computing kpt #: 332
total cpu time spent up to now is 36.7 secs
Computing kpt #: 333
total cpu time spent up to now is 36.8 secs
Computing kpt #: 334
total cpu time spent up to now is 36.9 secs
Computing kpt #: 335
total cpu time spent up to now is 37.0 secs
Computing kpt #: 336
total cpu time spent up to now is 37.1 secs
Computing kpt #: 337
total cpu time spent up to now is 37.1 secs
Computing kpt #: 338
total cpu time spent up to now is 37.2 secs
Computing kpt #: 339
total cpu time spent up to now is 37.3 secs
Computing kpt #: 340
total cpu time spent up to now is 37.4 secs
Computing kpt #: 341
total cpu time spent up to now is 37.5 secs
Computing kpt #: 342
total cpu time spent up to now is 37.5 secs
Computing kpt #: 343
total cpu time spent up to now is 37.6 secs
Computing kpt #: 344
total cpu time spent up to now is 37.7 secs
Computing kpt #: 345
total cpu time spent up to now is 37.8 secs
Computing kpt #: 346
total cpu time spent up to now is 37.9 secs
Computing kpt #: 347
total cpu time spent up to now is 38.0 secs
Computing kpt #: 348
total cpu time spent up to now is 38.0 secs
Computing kpt #: 349
total cpu time spent up to now is 38.1 secs
Computing kpt #: 350
total cpu time spent up to now is 38.2 secs
Computing kpt #: 351
total cpu time spent up to now is 38.3 secs
Computing kpt #: 352
total cpu time spent up to now is 38.4 secs
Computing kpt #: 353
total cpu time spent up to now is 38.5 secs
Computing kpt #: 354
total cpu time spent up to now is 38.6 secs
Computing kpt #: 355
total cpu time spent up to now is 38.6 secs
Computing kpt #: 356
total cpu time spent up to now is 38.7 secs
Computing kpt #: 357
total cpu time spent up to now is 38.8 secs
Computing kpt #: 358
total cpu time spent up to now is 38.9 secs
Computing kpt #: 359
total cpu time spent up to now is 39.0 secs
Computing kpt #: 360
total cpu time spent up to now is 39.1 secs
Computing kpt #: 361
total cpu time spent up to now is 39.2 secs
Computing kpt #: 362
total cpu time spent up to now is 39.3 secs
Computing kpt #: 363
total cpu time spent up to now is 39.4 secs
Computing kpt #: 364
total cpu time spent up to now is 39.5 secs
Computing kpt #: 365
total cpu time spent up to now is 39.6 secs
Computing kpt #: 366
total cpu time spent up to now is 39.7 secs
Computing kpt #: 367
total cpu time spent up to now is 39.8 secs
Computing kpt #: 368
total cpu time spent up to now is 39.9 secs
Computing kpt #: 369
total cpu time spent up to now is 40.1 secs
Computing kpt #: 370
total cpu time spent up to now is 40.2 secs
Computing kpt #: 371
total cpu time spent up to now is 40.3 secs
Computing kpt #: 372
total cpu time spent up to now is 40.5 secs
Computing kpt #: 373
total cpu time spent up to now is 40.6 secs
Computing kpt #: 374
total cpu time spent up to now is 40.7 secs
Computing kpt #: 375
total cpu time spent up to now is 40.9 secs
Computing kpt #: 376
total cpu time spent up to now is 41.0 secs
Computing kpt #: 377
total cpu time spent up to now is 41.1 secs
Computing kpt #: 378
total cpu time spent up to now is 41.2 secs
Computing kpt #: 379
total cpu time spent up to now is 41.4 secs
Computing kpt #: 380
total cpu time spent up to now is 41.5 secs
Computing kpt #: 381
total cpu time spent up to now is 41.6 secs
Computing kpt #: 382
total cpu time spent up to now is 41.7 secs
Computing kpt #: 383
total cpu time spent up to now is 41.8 secs
Computing kpt #: 384
total cpu time spent up to now is 41.9 secs
Computing kpt #: 385
total cpu time spent up to now is 42.0 secs
Computing kpt #: 386
total cpu time spent up to now is 42.1 secs
Computing kpt #: 387
total cpu time spent up to now is 42.2 secs
Computing kpt #: 388
total cpu time spent up to now is 42.3 secs
Computing kpt #: 389
total cpu time spent up to now is 42.4 secs
Computing kpt #: 390
total cpu time spent up to now is 42.5 secs
Computing kpt #: 391
total cpu time spent up to now is 42.6 secs
Computing kpt #: 392
total cpu time spent up to now is 42.6 secs
Computing kpt #: 393
total cpu time spent up to now is 42.7 secs
Computing kpt #: 394
total cpu time spent up to now is 42.8 secs
Computing kpt #: 395
total cpu time spent up to now is 42.9 secs
Computing kpt #: 396
total cpu time spent up to now is 43.0 secs
Computing kpt #: 397
total cpu time spent up to now is 43.1 secs
Computing kpt #: 398
total cpu time spent up to now is 43.2 secs
Computing kpt #: 399
total cpu time spent up to now is 43.3 secs
Computing kpt #: 400
total cpu time spent up to now is 43.3 secs
Computing kpt #: 401
total cpu time spent up to now is 43.4 secs
Computing kpt #: 402
total cpu time spent up to now is 43.5 secs
Computing kpt #: 403
total cpu time spent up to now is 43.6 secs
Computing kpt #: 404
total cpu time spent up to now is 43.7 secs
Computing kpt #: 405
total cpu time spent up to now is 43.8 secs
Computing kpt #: 406
total cpu time spent up to now is 43.9 secs
Computing kpt #: 407
total cpu time spent up to now is 44.0 secs
Computing kpt #: 408
total cpu time spent up to now is 44.0 secs
Computing kpt #: 409
total cpu time spent up to now is 44.1 secs
Computing kpt #: 410
total cpu time spent up to now is 44.2 secs
Computing kpt #: 411
total cpu time spent up to now is 44.3 secs
Computing kpt #: 412
total cpu time spent up to now is 44.4 secs
Computing kpt #: 413
total cpu time spent up to now is 44.4 secs
Computing kpt #: 414
total cpu time spent up to now is 44.5 secs
Computing kpt #: 415
total cpu time spent up to now is 44.6 secs
Computing kpt #: 416
total cpu time spent up to now is 44.7 secs
Computing kpt #: 417
total cpu time spent up to now is 44.8 secs
Computing kpt #: 418
total cpu time spent up to now is 44.9 secs
Computing kpt #: 419
total cpu time spent up to now is 44.9 secs
Computing kpt #: 420
total cpu time spent up to now is 45.0 secs
Computing kpt #: 421
total cpu time spent up to now is 45.1 secs
Computing kpt #: 422
total cpu time spent up to now is 45.2 secs
Computing kpt #: 423
total cpu time spent up to now is 45.3 secs
Computing kpt #: 424
total cpu time spent up to now is 45.4 secs
Computing kpt #: 425
total cpu time spent up to now is 45.4 secs
Computing kpt #: 426
total cpu time spent up to now is 45.5 secs
Computing kpt #: 427
total cpu time spent up to now is 45.6 secs
Computing kpt #: 428
total cpu time spent up to now is 45.7 secs
Computing kpt #: 429
total cpu time spent up to now is 45.8 secs
Computing kpt #: 430
total cpu time spent up to now is 45.9 secs
Computing kpt #: 431
total cpu time spent up to now is 46.0 secs
Computing kpt #: 432
total cpu time spent up to now is 46.1 secs
Computing kpt #: 433
total cpu time spent up to now is 46.2 secs
Computing kpt #: 434
total cpu time spent up to now is 46.2 secs
Computing kpt #: 435
total cpu time spent up to now is 46.3 secs
Computing kpt #: 436
total cpu time spent up to now is 46.4 secs
Computing kpt #: 437
total cpu time spent up to now is 46.5 secs
Computing kpt #: 438
total cpu time spent up to now is 46.6 secs
Computing kpt #: 439
total cpu time spent up to now is 46.7 secs
Computing kpt #: 440
total cpu time spent up to now is 46.8 secs
Computing kpt #: 441
total cpu time spent up to now is 46.9 secs
Computing kpt #: 442
total cpu time spent up to now is 47.0 secs
Computing kpt #: 443
total cpu time spent up to now is 47.1 secs
Computing kpt #: 444
total cpu time spent up to now is 47.2 secs
Computing kpt #: 445
total cpu time spent up to now is 47.3 secs
Computing kpt #: 446
total cpu time spent up to now is 47.4 secs
Computing kpt #: 447
total cpu time spent up to now is 47.5 secs
Computing kpt #: 448
total cpu time spent up to now is 47.6 secs
Computing kpt #: 449
total cpu time spent up to now is 47.7 secs
Computing kpt #: 450
total cpu time spent up to now is 47.8 secs
Computing kpt #: 451
total cpu time spent up to now is 47.9 secs
Computing kpt #: 452
total cpu time spent up to now is 48.0 secs
Computing kpt #: 453
total cpu time spent up to now is 48.2 secs
Computing kpt #: 454
total cpu time spent up to now is 48.3 secs
Computing kpt #: 455
total cpu time spent up to now is 48.4 secs
Computing kpt #: 456
total cpu time spent up to now is 48.5 secs
Computing kpt #: 457
total cpu time spent up to now is 48.6 secs
Computing kpt #: 458
total cpu time spent up to now is 48.7 secs
Computing kpt #: 459
total cpu time spent up to now is 48.8 secs
Computing kpt #: 460
total cpu time spent up to now is 49.0 secs
Computing kpt #: 461
total cpu time spent up to now is 49.1 secs
Computing kpt #: 462
total cpu time spent up to now is 49.2 secs
Computing kpt #: 463
total cpu time spent up to now is 49.3 secs
ethr = 7.14E-11, avg # of iterations = 18.4
total cpu time spent up to now is 49.3 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev):
-9.6181 -9.6181 7.1448 7.1448 7.2301 7.2301 7.2547 7.2547
9.4992 9.4992 9.5568 9.5568 9.6360 9.6360 10.0784 10.0784
10.0849 10.0849 11.7863 11.7863 27.0163 27.0163
k = 0.0078-0.0046-0.0033 ( 725 PWs) bands (ev):
-9.6175 -9.6175 7.1424 7.1424 7.2267 7.2267 7.2513 7.2513
9.5000 9.5000 9.5576 9.5576 9.6369 9.6369 10.0806 10.0806
10.0871 10.0871 11.7906 11.7906 27.0050 27.0050
k = 0.0156-0.0093-0.0065 ( 727 PWs) bands (ev):
-9.6158 -9.6158 7.1349 7.1349 7.2160 7.2160 7.2420 7.2420
9.5026 9.5026 9.5602 9.5602 9.6395 9.6395 10.0871 10.0871
10.0937 10.0937 11.8034 11.8034 26.9717 26.9717
k = 0.0234-0.0139-0.0098 ( 727 PWs) bands (ev):
-9.6129 -9.6129 7.1222 7.1222 7.1970 7.1970 7.2285 7.2285
9.5068 9.5068 9.5645 9.5645 9.6439 9.6439 10.0979 10.0979
10.1048 10.1048 11.8246 11.8246 26.9175 26.9175
k = 0.0312-0.0185-0.0130 ( 729 PWs) bands (ev):
-9.6089 -9.6089 7.1034 7.1034 7.1700 7.1700 7.2119 7.2119
9.5125 9.5125 9.5704 9.5704 9.6498 9.6498 10.1128 10.1128
10.1201 10.1201 11.8541 11.8541 26.8445 26.8445
k = 0.0391-0.0232-0.0163 ( 731 PWs) bands (ev):
-9.6038 -9.6038 7.0766 7.0766 7.1377 7.1377 7.1923 7.1923
9.5197 9.5197 9.5776 9.5776 9.6572 9.6572 10.1319 10.1319
10.1396 10.1396 11.8914 11.8914 26.7548 26.7548
k = 0.0469-0.0278-0.0196 ( 731 PWs) bands (ev):
-9.5975 -9.5975 7.0390 7.0390 7.1040 7.1040 7.1694 7.1694
9.5283 9.5283 9.5861 9.5861 9.6661 9.6661 10.1549 10.1549
10.1634 10.1634 11.9362 11.9362 26.6507 26.6507
k = 0.0547-0.0324-0.0228 ( 731 PWs) bands (ev):
-9.5902 -9.5902 6.9895 6.9895 7.0710 7.0710 7.1434 7.1434
9.5381 9.5381 9.5958 9.5958 9.6762 9.6762 10.1818 10.1818
10.1911 10.1911 11.9882 11.9882 26.5343 26.5343
k = 0.0625-0.0371-0.0261 ( 731 PWs) bands (ev):
-9.5817 -9.5817 6.9298 6.9298 7.0382 7.0382 7.1144 7.1144
9.5490 9.5490 9.6064 9.6064 9.6873 9.6873 10.2123 10.2123
10.2225 10.2225 12.0469 12.0469 26.4075 26.4075
k = 0.0703-0.0417-0.0293 ( 735 PWs) bands (ev):
-9.5721 -9.5721 6.8621 6.8621 7.0043 7.0043 7.0826 7.0826
9.5609 9.5609 9.6179 9.6179 9.6994 9.6994 10.2462 10.2462
10.2574 10.2574 12.1118 12.1118 26.2718 26.2718
k = 0.0781-0.0463-0.0326 ( 735 PWs) bands (ev):
-9.5615 -9.5615 6.7879 6.7879 6.9688 6.9688 7.0482 7.0482
9.5737 9.5737 9.6304 9.6304 9.7123 9.7123 10.2835 10.2835
10.2956 10.2956 12.1823 12.1823 26.1288 26.1288
k = 0.0859-0.0509-0.0358 ( 733 PWs) bands (ev):
-9.5498 -9.5498 6.7082 6.7082 6.9314 6.9314 7.0116 7.0116
9.5875 9.5875 9.6436 9.6436 9.7260 9.7260 10.3238 10.3238
10.3369 10.3369 12.2581 12.2581 25.9797 25.9797
k = 0.0938-0.0556-0.0391 ( 733 PWs) bands (ev):
-9.5371 -9.5371 6.6239 6.6239 6.8922 6.8922 6.9729 6.9729
9.6019 9.6019 9.6575 9.6575 9.7403 9.7403 10.3669 10.3669
10.3808 10.3808 12.3386 12.3386 25.8255 25.8255
k = 0.1016-0.0602-0.0424 ( 733 PWs) bands (ev):
-9.5234 -9.5234 6.5357 6.5357 6.8514 6.8514 6.9324 6.9324
9.6171 9.6171 9.6722 9.6722 9.7552 9.7552 10.4126 10.4126
10.4273 10.4273 12.4233 12.4233 25.6671 25.6671
k = 0.1094-0.0648-0.0456 ( 733 PWs) bands (ev):
-9.5087 -9.5087 6.4440 6.4440 6.8091 6.8091 6.8903 6.8903
9.6330 9.6330 9.6875 9.6875 9.7706 9.7706 10.4606 10.4606
10.4761 10.4761 12.5118 12.5118 25.5053 25.5053
k = 0.1172-0.0695-0.0489 ( 731 PWs) bands (ev):
-9.4930 -9.4930 6.3495 6.3495 6.7655 6.7655 6.8469 6.8469
9.6496 9.6496 9.7035 9.7035 9.7866 9.7866 10.5107 10.5107
10.5268 10.5268 12.6036 12.6036 25.3407 25.3407
k = 0.1250-0.0741-0.0521 ( 729 PWs) bands (ev):
-9.4764 -9.4764 6.2525 6.2525 6.7209 6.7209 6.8024 6.8024
9.6669 9.6669 9.7202 9.7202 9.8031 9.8031 10.5627 10.5627
10.5793 10.5793 12.6983 12.6983 25.1740 25.1740
k = 0.1328-0.0787-0.0554 ( 727 PWs) bands (ev):
-9.4588 -9.4588 6.1535 6.1535 6.6753 6.6753 6.7569 6.7569
9.6848 9.6848 9.7374 9.7374 9.8200 9.8200 10.6164 10.6164
10.6335 10.6335 12.7955 12.7955 25.0057 25.0057
k = 0.1406-0.0834-0.0587 ( 727 PWs) bands (ev):
-9.4404 -9.4404 6.0528 6.0528 6.6290 6.6290 6.7108 6.7108
9.7032 9.7032 9.7552 9.7552 9.8374 9.8374 10.6715 10.6715
10.6889 10.6889 12.8947 12.8947 24.8362 24.8362
k = 0.1484-0.0880-0.0619 ( 729 PWs) bands (ev):
-9.4212 -9.4212 5.9507 5.9507 6.5822 6.5822 6.6640 6.6640
9.7221 9.7221 9.7736 9.7736 9.8553 9.8553 10.7278 10.7278
10.7455 10.7455 12.9958 12.9958 24.6660 24.6660
k = 0.1562-0.0926-0.0652 ( 727 PWs) bands (ev):
-9.4011 -9.4011 5.8476 5.8476 6.5350 6.5350 6.6169 6.6169
9.7418 9.7418 9.7926 9.7926 9.8738 9.8738 10.7852 10.7852
10.8030 10.8030 13.0982 13.0982 24.4955 24.4955
k = 0.1641-0.0973-0.0684 ( 729 PWs) bands (ev):
-9.3803 -9.3803 5.7438 5.7438 6.4875 6.4875 6.5695 6.5695
9.7618 9.7618 9.8121 9.8121 9.8927 9.8927 10.8434 10.8434
10.8614 10.8614 13.2016 13.2016 24.3250 24.3250
k = 0.1719-0.1019-0.0717 ( 731 PWs) bands (ev):
-9.3587 -9.3587 5.6394 5.6394 6.4398 6.4398 6.5220 6.5220
9.7824 9.7824 9.8321 9.8321 9.9122 9.9122 10.9022 10.9022
10.9203 10.9203 13.3059 13.3059 24.1549 24.1549
k = 0.1797-0.1065-0.0750 ( 729 PWs) bands (ev):
-9.3365 -9.3365 5.5348 5.5348 6.3922 6.3922 6.4745 6.4745
9.8036 9.8036 9.8527 9.8527 9.9324 9.9324 10.9616 10.9616
10.9798 10.9798 13.4106 13.4106 23.9856 23.9856
k = 0.1875-0.1112-0.0782 ( 731 PWs) bands (ev):
-9.3136 -9.3136 5.4302 5.4302 6.3447 6.3447 6.4270 6.4270
9.8252 9.8252 9.8737 9.8737 9.9531 9.9531 11.0213 11.0213
11.0396 11.0396 13.5155 13.5155 23.8171 23.8171
k = 0.1953-0.1158-0.0815 ( 736 PWs) bands (ev):
-9.2901 -9.2901 5.3256 5.3256 6.2974 6.2974 6.3799 6.3799
9.8470 9.8470 9.8952 9.8952 9.9742 9.9742 11.0811 11.0811
11.0995 11.0995 13.6204 13.6204 23.6500 23.6500
k = 0.2031-0.1204-0.0847 ( 738 PWs) bands (ev):
-9.2660 -9.2660 5.2215 5.2215 6.2504 6.2504 6.3330 6.3330
9.8694 9.8694 9.9172 9.9172 9.9960 9.9960 11.1411 11.1411
11.1596 11.1596 13.7249 13.7249 23.4844 23.4844
k = 0.2109-0.1250-0.0880 ( 741 PWs) bands (ev):
-9.2414 -9.2414 5.1179 5.1179 6.2039 6.2039 6.2866 6.2866
9.8921 9.8921 9.9397 9.9397 10.0183 10.0183 11.2010 11.2010
11.2195 11.2195 13.8288 13.8288 23.3206 23.3206
k = 0.2188-0.1297-0.0912 ( 741 PWs) bands (ev):
-9.2164 -9.2164 5.0150 5.0150 6.1578 6.1578 6.2407 6.2407
9.9151 9.9151 9.9625 9.9625 10.0411 10.0411 11.2608 11.2608
11.2794 11.2794 13.9319 13.9319 23.1588 23.1588
k = 0.2266-0.1343-0.0945 ( 741 PWs) bands (ev):
-9.1909 -9.1909 4.9130 4.9130 6.1123 6.1123 6.1954 6.1954
9.9385 9.9385 9.9858 9.9858 10.0644 10.0644 11.3203 11.3203
11.3390 11.3390 14.0339 14.0339 22.9994 22.9994
k = 0.2344-0.1389-0.0978 ( 741 PWs) bands (ev):
-9.1652 -9.1652 4.8120 4.8120 6.0675 6.0675 6.1508 6.1508
9.9620 9.9620 10.0094 10.0094 10.0882 10.0882 11.3795 11.3795
11.3983 11.3983 14.1345 14.1345 22.8425 22.8425
k = 0.2422-0.1436-0.1010 ( 741 PWs) bands (ev):
-9.1391 -9.1391 4.7122 4.7122 6.0234 6.0234 6.1069 6.1069
9.9857 9.9857 10.0334 10.0334 10.1125 10.1125 11.4381 11.4381
11.4571 11.4571 14.2337 14.2337 22.6884 22.6884
k = 0.2500-0.1482-0.1043 ( 743 PWs) bands (ev):
-9.1127 -9.1127 4.6137 4.6137 5.9801 5.9801 6.0637 6.0637
10.0094 10.0094 10.0576 10.0576 10.1372 10.1372 11.4961 11.4961
11.5153 11.5153 14.3310 14.3310 22.5374 22.5374
k = 0.2578-0.1528-0.1075 ( 743 PWs) bands (ev):
-9.0862 -9.0862 4.5166 4.5166 5.9377 5.9377 6.0214 6.0214
10.0333 10.0333 10.0820 10.0820 10.1623 10.1623 11.5534 11.5534
11.5729 11.5729 14.4263 14.4263 22.3896 22.3896
k = 0.2656-0.1575-0.1108 ( 743 PWs) bands (ev):
-9.0596 -9.0596 4.4212 4.4212 5.8961 5.8961 5.9801 5.9801
10.0572 10.0572 10.1066 10.1066 10.1879 10.1879 11.6099 11.6099
11.6297 11.6297 14.5194 14.5194 22.2454 22.2454
k = 0.2734-0.1621-0.1141 ( 745 PWs) bands (ev):
-9.0329 -9.0329 4.3274 4.3274 5.8555 5.8555 5.9397 5.9397
10.0809 10.0809 10.1312 10.1312 10.2137 10.2137 11.6656 11.6656
11.6857 11.6857 14.6101 14.6101 22.1048 22.1048
k = 0.2812-0.1667-0.1173 ( 749 PWs) bands (ev):
-9.0063 -9.0063 4.2355 4.2355 5.8160 5.8160 5.9002 5.9002
10.1045 10.1045 10.1558 10.1558 10.2399 10.2399 11.7203 11.7203
11.7407 11.7407 14.6981 14.6981 21.9682 21.9682
k = 0.2891-0.1714-0.1206 ( 747 PWs) bands (ev):
-8.9797 -8.9797 4.1456 4.1456 5.7775 5.7775 5.8619 5.8619
10.1281 10.1281 10.1806 10.1806 10.2665 10.2665 11.7739 11.7739
11.7948 11.7948 14.7832 14.7832 21.8357 21.8357
k = 0.2969-0.1760-0.1238 ( 750 PWs) bands (ev):
-8.9532 -8.9532 4.0578 4.0578 5.7400 5.7400 5.8246 5.8246
10.1514 10.1514 10.2050 10.2050 10.2933 10.2933 11.8264 11.8264
11.8477 11.8477 14.8652 14.8652 21.7076 21.7076
k = 0.3047-0.1806-0.1271 ( 752 PWs) bands (ev):
-8.9270 -8.9270 3.9722 3.9722 5.7037 5.7037 5.7884 5.7884
10.1744 10.1744 10.2294 10.2294 10.3204 10.3204 11.8777 11.8777
11.8995 11.8995 14.9440 14.9440 21.5841 21.5841
k = 0.3125-0.1853-0.1303 ( 754 PWs) bands (ev):
-8.9011 -8.9011 3.8888 3.8888 5.6686 5.6686 5.7534 5.7534
10.1971 10.1971 10.2534 10.2534 10.3477 10.3477 11.9277 11.9277
11.9500 11.9500 15.0193 15.0193 21.4653 21.4653
k = 0.3203-0.1899-0.1336 ( 753 PWs) bands (ev):
-8.8754 -8.8754 3.8079 3.8079 5.6347 5.6347 5.7196 5.7196
10.2195 10.2195 10.2770 10.2770 10.3752 10.3752 11.9764 11.9764
11.9992 11.9992 15.0910 15.0910 21.3516 21.3516
k = 0.3281-0.1945-0.1369 ( 751 PWs) bands (ev):
-8.8502 -8.8502 3.7296 3.7296 5.6020 5.6020 5.6871 5.6871
10.2415 10.2415 10.3003 10.3003 10.4029 10.4029 12.0237 12.0237
12.0470 12.0470 15.1590 15.1590 21.2429 21.2429
k = 0.3359-0.1991-0.1401 ( 751 PWs) bands (ev):
-8.8255 -8.8255 3.6539 3.6539 5.5705 5.5705 5.6558 5.6558
10.2628 10.2628 10.3229 10.3229 10.4306 10.4306 12.0694 12.0694
12.0933 12.0933 15.2231 15.2231 21.1395 21.1395
k = 0.3438-0.2038-0.1434 ( 751 PWs) bands (ev):
-8.8014 -8.8014 3.5809 3.5809 5.5404 5.5404 5.6258 5.6258
10.2837 10.2837 10.3450 10.3450 10.4582 10.4582 12.1136 12.1136
12.1380 12.1380 15.2831 15.2831 21.0414 21.0414
k = 0.3516-0.2084-0.1466 ( 753 PWs) bands (ev):
-8.7779 -8.7779 3.5107 3.5107 5.5116 5.5116 5.5970 5.5970
10.3038 10.3038 10.3663 10.3663 10.4857 10.4857 12.1561 12.1561
12.1811 12.1811 15.3391 15.3391 20.9489 20.9489
k = 0.3594-0.2130-0.1499 ( 752 PWs) bands (ev):
-8.7550 -8.7550 3.4436 3.4436 5.4841 5.4841 5.5697 5.5697
10.3233 10.3233 10.3869 10.3869 10.5131 10.5131 12.1969 12.1969
12.2226 12.2226 15.3910 15.3910 20.8619 20.8619
k = 0.3672-0.2177-0.1532 ( 752 PWs) bands (ev):
-8.7330 -8.7330 3.3794 3.3794 5.4580 5.4580 5.5437 5.5437
10.3422 10.3422 10.4067 10.4067 10.5400 10.5400 12.2360 12.2360
12.2622 12.2622 15.4388 15.4388 20.7806 20.7806
k = 0.3750-0.2223-0.1564 ( 750 PWs) bands (ev):
-8.7118 -8.7118 3.3184 3.3184 5.4333 5.4333 5.5191 5.5191
10.3602 10.3602 10.4257 10.4257 10.5666 10.5666 12.2732 12.2732
12.3000 12.3000 15.4824 15.4824 20.7049 20.7049
k = 0.3828-0.2269-0.1597 ( 748 PWs) bands (ev):
-8.6915 -8.6915 3.2606 3.2606 5.4100 5.4100 5.4959 5.4959
10.3775 10.3775 10.4439 10.4439 10.5923 10.5923 12.3086 12.3086
12.3359 12.3359 15.5220 15.5220 20.6348 20.6348
k = 0.3906-0.2316-0.1629 ( 748 PWs) bands (ev):
-8.6721 -8.6721 3.2061 3.2061 5.3881 5.3881 5.4741 5.4741
10.3938 10.3938 10.4610 10.4610 10.6174 10.6174 12.3419 12.3419
12.3698 12.3698 15.5576 15.5576 20.5703 20.5703
k = 0.3984-0.2362-0.1662 ( 748 PWs) bands (ev):
-8.6538 -8.6538 3.1549 3.1549 5.3676 5.3676 5.4537 5.4537
10.4093 10.4093 10.4772 10.4772 10.6415 10.6415 12.3733 12.3733
12.4017 12.4017 15.5893 15.5893 20.5113 20.5113
k = 0.4062-0.2408-0.1695 ( 746 PWs) bands (ev):
-8.6365 -8.6365 3.1073 3.1073 5.3487 5.3487 5.4348 5.4348
10.4238 10.4238 10.4923 10.4923 10.6646 10.6646 12.4026 12.4026
12.4315 12.4315 15.6174 15.6174 20.4577 20.4577
k = 0.4141-0.2455-0.1727 ( 746 PWs) bands (ev):
-8.6204 -8.6204 3.0631 3.0631 5.3312 5.3312 5.4174 5.4174
10.4372 10.4372 10.5064 10.5064 10.6864 10.6864 12.4297 12.4297
12.4591 12.4591 15.6420 15.6420 20.4093 20.4093
k = 0.4219-0.2501-0.1760 ( 745 PWs) bands (ev):
-8.6056 -8.6056 3.0226 3.0226 5.3151 5.3151 5.4014 5.4014
10.4497 10.4497 10.5194 10.5194 10.7070 10.7070 12.4547 12.4547
12.4846 12.4846 15.6634 15.6634 20.3660 20.3660
k = 0.4297-0.2547-0.1792 ( 747 PWs) bands (ev):
-8.5919 -8.5919 2.9857 2.9857 5.3006 5.3006 5.3869 5.3869
10.4611 10.4611 10.5311 10.5311 10.7261 10.7261 12.4774 12.4774
12.5076 12.5076 15.6817 15.6817 20.3276 20.3276
k = 0.4375-0.2594-0.1825 ( 747 PWs) bands (ev):
-8.5796 -8.5796 2.9525 2.9525 5.2875 5.2875 5.3739 5.3739
10.4714 10.4714 10.5417 10.5417 10.7436 10.7436 12.4979 12.4979
12.5285 12.5285 15.6972 15.6972 20.2940 20.2940
k = 0.4453-0.2640-0.1857 ( 745 PWs) bands (ev):
-8.5686 -8.5686 2.9231 2.9231 5.2760 5.2760 5.3624 5.3624
10.4806 10.4806 10.5513 10.5513 10.7594 10.7594 12.5161 12.5161
12.5470 12.5470 15.7101 15.7101 20.2649 20.2649
k = 0.4531-0.2686-0.1890 ( 745 PWs) bands (ev):
-8.5590 -8.5590 2.8975 2.8975 5.2660 5.2660 5.3524 5.3524
10.4886 10.4886 10.5595 10.5595 10.7734 10.7734 12.5319 12.5319
12.5632 12.5632 15.7208 15.7208 20.2401 20.2401
k = 0.4609-0.2732-0.1923 ( 741 PWs) bands (ev):
-8.5508 -8.5508 2.8758 2.8758 5.2575 5.2575 5.3440 5.3440
10.4955 10.4955 10.5666 10.5666 10.7854 10.7854 12.5455 12.5455
12.5769 12.5769 15.7293 15.7293 20.2195 20.2195
k = 0.4688-0.2779-0.1955 ( 741 PWs) bands (ev):
-8.5441 -8.5441 2.8580 2.8580 5.2506 5.2506 5.3371 5.3371
10.5011 10.5011 10.5724 10.5724 10.7953 10.7953 12.5565 12.5565
12.5882 12.5882 15.7360 15.7360 20.2028 20.2028
k = 0.4766-0.2825-0.1988 ( 743 PWs) bands (ev):
-8.5388 -8.5388 2.8441 2.8441 5.2452 5.2452 5.3317 5.3317
10.5054 10.5054 10.5769 10.5769 10.8031 10.8031 12.5651 12.5651
12.5969 12.5969 15.7410 15.7410 20.1901 20.1901
k = 0.4844-0.2871-0.2020 ( 743 PWs) bands (ev):
-8.5350 -8.5350 2.8342 2.8342 5.2413 5.2413 5.3278 5.3278
10.5085 10.5085 10.5801 10.5801 10.8087 10.8087 12.5712 12.5712
12.6032 12.6032 15.7445 15.7445 20.1810 20.1810
k = 0.4922-0.2918-0.2053 ( 743 PWs) bands (ev):
-8.5327 -8.5327 2.8282 2.8282 5.2390 5.2390 5.3255 5.3255
10.5104 10.5104 10.5821 10.5821 10.8121 10.8121 12.5749 12.5749
12.6070 12.6070 15.7465 15.7465 20.1756 20.1756
k = 0.5000-0.2964-0.2086 ( 742 PWs) bands (ev):
-8.5320 -8.5320 2.8262 2.8262 5.2383 5.2383 5.3247 5.3247
10.5111 10.5111 10.5827 10.5827 10.8133 10.8133 12.5761 12.5761
12.6083 12.6083 15.7472 15.7472 20.1739 20.1739
k = 0.5000-0.2964-0.2086 ( 742 PWs) bands (ev):
-8.5320 -8.5320 2.8262 2.8262 5.2383 5.2383 5.3247 5.3247
10.5111 10.5111 10.5827 10.5827 10.8133 10.8133 12.5761 12.5761
12.6083 12.6083 15.7472 15.7472 20.1739 20.1739
k = 0.5000-0.2909-0.2164 ( 740 PWs) bands (ev):
-8.5319 -8.5319 2.8273 2.8273 5.2385 5.2385 5.3241 5.3241
10.5113 10.5113 10.5821 10.5821 10.8130 10.8130 12.5736 12.5736
12.6076 12.6076 15.7519 15.7519 20.1733 20.1733
k = 0.5000-0.2853-0.2243 ( 744 PWs) bands (ev):
-8.5316 -8.5316 2.8304 2.8304 5.2391 5.2391 5.3222 5.3222
10.5115 10.5115 10.5799 10.5799 10.8118 10.8118 12.5659 12.5659
12.6054 12.6054 15.7659 15.7659 20.1715 20.1715
k = 0.5000-0.2798-0.2322 ( 746 PWs) bands (ev):
-8.5312 -8.5312 2.8357 2.8357 5.2402 5.2402 5.3190 5.3190
10.5123 10.5123 10.5764 10.5764 10.8100 10.8100 12.5533 12.5533
12.6019 12.6019 15.7890 15.7890 20.1686 20.1686
k = 0.5000-0.2743-0.2400 ( 744 PWs) bands (ev):
-8.5306 -8.5306 2.8430 2.8430 5.2418 5.2418 5.3146 5.3146
10.5133 10.5133 10.5718 10.5718 10.8075 10.8075 12.5358 12.5358
12.5972 12.5972 15.8211 15.8211 20.1645 20.1645
k = 0.5000-0.2687-0.2479 ( 744 PWs) bands (ev):
-8.5298 -8.5298 2.8525 2.8525 5.2437 5.2437 5.3089 5.3089
10.5145 10.5145 10.5658 10.5658 10.8043 10.8043 12.5138 12.5138
12.5912 12.5912 15.8617 15.8617 20.1593 20.1593
k = 0.5000-0.2632-0.2557 ( 740 PWs) bands (ev):
-8.5289 -8.5289 2.8640 2.8640 5.2461 5.2461 5.3021 5.3021
10.5160 10.5160 10.5587 10.5587 10.8006 10.8006 12.4877 12.4877
12.5840 12.5840 15.9105 15.9105 20.1529 20.1529
k = 0.5000-0.2577-0.2636 ( 740 PWs) bands (ev):
-8.5277 -8.5277 2.8775 2.8775 5.2489 5.2489 5.2940 5.2940
10.5174 10.5174 10.5504 10.5504 10.7962 10.7962 12.4577 12.4577
12.5755 12.5755 15.9670 15.9670 20.1455 20.1455
k = 0.5000-0.2521-0.2715 ( 740 PWs) bands (ev):
-8.5265 -8.5265 2.8931 2.8931 5.2520 5.2520 5.2848 5.2848
10.5186 10.5186 10.5415 10.5415 10.7914 10.7914 12.4244 12.4244
12.5658 12.5658 16.0307 16.0307 20.1369 20.1369
k = 0.5000-0.2466-0.2793 ( 740 PWs) bands (ev):
-8.5250 -8.5250 2.9107 2.9107 5.2554 5.2554 5.2744 5.2744
10.5183 10.5183 10.5329 10.5329 10.7860 10.7860 12.3882 12.3882
12.5548 12.5548 16.1012 16.1012 20.1273 20.1273
k = 0.5000-0.2411-0.2872 ( 740 PWs) bands (ev):
-8.5235 -8.5235 2.9303 2.9303 5.2587 5.2587 5.2634 5.2634
10.5130 10.5130 10.5285 10.5285 10.7803 10.7803 12.3493 12.3493
12.5425 12.5425 16.1780 16.1780 20.1167 20.1167
k = 0.5000-0.2355-0.2951 ( 740 PWs) bands (ev):
-8.5217 -8.5217 2.9518 2.9518 5.2500 5.2500 5.2636 5.2636
10.5025 10.5025 10.5284 10.5284 10.7744 10.7744 12.3083 12.3083
12.5290 12.5290 16.2606 16.2606 20.1052 20.1052
k = 0.5000-0.2300-0.3029 ( 740 PWs) bands (ev):
-8.5199 -8.5199 2.9753 2.9753 5.2366 5.2366 5.2678 5.2678
10.4897 10.4897 10.5294 10.5294 10.7683 10.7683 12.2655 12.2655
12.5143 12.5143 16.3486 16.3486 20.0926 20.0926
k = 0.5000-0.2245-0.3108 ( 740 PWs) bands (ev):
-8.5179 -8.5179 3.0007 3.0007 5.2221 5.2221 5.2722 5.2722
10.4761 10.4761 10.5305 10.5305 10.7623 10.7623 12.2212 12.2212
12.4985 12.4985 16.4415 16.4415 20.0792 20.0792
k = 0.5000-0.2189-0.3187 ( 740 PWs) bands (ev):
-8.5158 -8.5158 3.0280 3.0280 5.2066 5.2066 5.2767 5.2767
10.4618 10.4618 10.5312 10.5312 10.7564 10.7564 12.1756 12.1756
12.4814 12.4814 16.5390 16.5390 20.0649 20.0649
k = 0.5000-0.2134-0.3265 ( 740 PWs) bands (ev):
-8.5135 -8.5135 3.0570 3.0570 5.1903 5.1903 5.2814 5.2814
10.4471 10.4471 10.5313 10.5313 10.7509 10.7509 12.1291 12.1291
12.4633 12.4633 16.6406 16.6406 20.0498 20.0498
k = 0.5000-0.2079-0.3344 ( 738 PWs) bands (ev):
-8.5112 -8.5112 3.0879 3.0879 5.1732 5.1732 5.2861 5.2861
10.4320 10.4320 10.5307 10.5307 10.7460 10.7460 12.0818 12.0818
12.4440 12.4440 16.7461 16.7461 20.0340 20.0340
k = 0.5000-0.2023-0.3423 ( 738 PWs) bands (ev):
-8.5087 -8.5087 3.1205 3.1205 5.1553 5.1553 5.2908 5.2908
10.4166 10.4166 10.5290 10.5290 10.7417 10.7417 12.0341 12.0341
12.4237 12.4237 16.8551 16.8551 20.0175 20.0175
k = 0.5000-0.1968-0.3501 ( 738 PWs) bands (ev):
-8.5062 -8.5062 3.1548 3.1548 5.1368 5.1368 5.2954 5.2954
10.4012 10.4012 10.5262 10.5262 10.7384 10.7384 11.9860 11.9860
12.4024 12.4024 16.9673 16.9673 20.0003 20.0003
k = 0.5000-0.1913-0.3580 ( 736 PWs) bands (ev):
-8.5036 -8.5036 3.1907 3.1907 5.1176 5.1176 5.2999 5.2999
10.3859 10.3859 10.5223 10.5223 10.7361 10.7361 11.9378 11.9378
12.3800 12.3800 17.0824 17.0824 19.9825 19.9825
k = 0.5000-0.1857-0.3659 ( 736 PWs) bands (ev):
-8.5009 -8.5009 3.2282 3.2282 5.0979 5.0979 5.3041 5.3041
10.3705 10.3705 10.5169 10.5169 10.7349 10.7349 11.8895 11.8895
12.3567 12.3567 17.2002 17.2002 19.9641 19.9641
k = 0.5000-0.1802-0.3737 ( 732 PWs) bands (ev):
-8.4982 -8.4982 3.2673 3.2673 5.0778 5.0778 5.3081 5.3081
10.3554 10.3554 10.5103 10.5103 10.7350 10.7350 11.8415 11.8415
12.3326 12.3326 17.3204 17.3204 19.9453 19.9453
k = 0.5000-0.1747-0.3816 ( 732 PWs) bands (ev):
-8.4954 -8.4954 3.3078 3.3078 5.0573 5.0573 5.3116 5.3116
10.3406 10.3406 10.5023 10.5023 10.7361 10.7361 11.7936 11.7936
12.3076 12.3076 17.4429 17.4429 19.9260 19.9260
k = 0.5000-0.1691-0.3895 ( 732 PWs) bands (ev):
-8.4925 -8.4925 3.3496 3.3496 5.0364 5.0364 5.3148 5.3148
10.3261 10.3261 10.4931 10.4931 10.7384 10.7384 11.7460 11.7460
12.2819 12.2819 17.5673 17.5673 19.9063 19.9063
k = 0.5000-0.1636-0.3973 ( 732 PWs) bands (ev):
-8.4897 -8.4897 3.3929 3.3929 5.0153 5.0153 5.3174 5.3174
10.3121 10.3121 10.4829 10.4829 10.7416 10.7416 11.6988 11.6988
12.2554 12.2554 17.6935 17.6935 19.8863 19.8863
k = 0.5000-0.1581-0.4052 ( 728 PWs) bands (ev):
-8.4868 -8.4868 3.4374 3.4374 4.9940 4.9940 5.3195 5.3195
10.2988 10.2988 10.4718 10.4718 10.7457 10.7457 11.6522 11.6522
12.2284 12.2284 17.8212 17.8212 19.8661 19.8661
k = 0.5000-0.1525-0.4130 ( 732 PWs) bands (ev):
-8.4839 -8.4839 3.4830 3.4830 4.9726 4.9726 5.3207 5.3207
10.2859 10.2859 10.4599 10.4599 10.7504 10.7504 11.6062 11.6062
12.2007 12.2007 17.9503 17.9503 19.8455 19.8455
k = 0.5000-0.1470-0.4209 ( 732 PWs) bands (ev):
-8.4810 -8.4810 3.5298 3.5298 4.9513 4.9513 5.3213 5.3213
10.2737 10.2737 10.4474 10.4474 10.7557 10.7557 11.5608 11.5608
12.1726 12.1726 18.0806 18.0806 19.8249 19.8249
k = 0.5000-0.1415-0.4288 ( 736 PWs) bands (ev):
-8.4782 -8.4782 3.5776 3.5776 4.9299 4.9299 5.3210 5.3210
10.2621 10.2621 10.4345 10.4345 10.7613 10.7613 11.5161 11.5161
12.1441 12.1441 18.2118 18.2118 19.8041 19.8041
k = 0.5000-0.1359-0.4366 ( 736 PWs) bands (ev):
-8.4754 -8.4754 3.6263 3.6263 4.9087 4.9087 5.3198 5.3198
10.2514 10.2514 10.4213 10.4213 10.7673 10.7673 11.4723 11.4723
12.1154 12.1154 18.3438 18.3438 19.7833 19.7833
k = 0.5000-0.1304-0.4445 ( 732 PWs) bands (ev):
-8.4725 -8.4725 3.6759 3.6759 4.8879 4.8879 5.3176 5.3176
10.2415 10.2415 10.4080 10.4080 10.7736 10.7736 11.4295 11.4295
12.0866 12.0866 18.4765 18.4765 19.7625 19.7625
k = 0.5000-0.1249-0.4524 ( 734 PWs) bands (ev):
-8.4698 -8.4698 3.7263 3.7263 4.8673 4.8673 5.3143 5.3143
10.2323 10.2323 10.3946 10.3946 10.7800 10.7800 11.3875 11.3875
12.0576 12.0576 18.6094 18.6094 19.7417 19.7417
k = 0.5000-0.1193-0.4602 ( 734 PWs) bands (ev):
-8.4671 -8.4671 3.7772 3.7772 4.8470 4.8470 5.3098 5.3098
10.2240 10.2240 10.3813 10.3813 10.7864 10.7864 11.3466 11.3466
12.0287 12.0287 18.7425 18.7425 19.7211 19.7211
k = 0.5000-0.1138-0.4681 ( 734 PWs) bands (ev):
-8.4645 -8.4645 3.8288 3.8288 4.8272 4.8272 5.3041 5.3041
10.2166 10.2166 10.3682 10.3682 10.7927 10.7927 11.3068 11.3068
12.0000 12.0000 18.8756 18.8756 19.7005 19.7005
k = 0.5000-0.1083-0.4760 ( 734 PWs) bands (ev):
-8.4620 -8.4620 3.8807 3.8807 4.8080 4.8080 5.2971 5.2971
10.2101 10.2101 10.3553 10.3553 10.7990 10.7990 11.2681 11.2681
11.9717 11.9717 19.0083 19.0083 19.6802 19.6802
k = 0.5000-0.1027-0.4838 ( 734 PWs) bands (ev):
-8.4596 -8.4596 3.9330 3.9330 4.7893 4.7893 5.2887 5.2887
10.2043 10.2043 10.3428 10.3428 10.8050 10.8050 11.2308 11.2308
11.9437 11.9437 19.1403 19.1403 19.6601 19.6601
k = 0.5000-0.0972-0.4917 ( 734 PWs) bands (ev):
-8.4573 -8.4573 3.9854 3.9854 4.7714 4.7714 5.2789 5.2789
10.1994 10.1994 10.3307 10.3307 10.8107 10.8107 11.1948 11.1948
11.9162 11.9162 19.2715 19.2715 19.6403 19.6403
k = 0.5000-0.0916-0.4996 ( 736 PWs) bands (ev):
-8.4551 -8.4551 4.0379 4.0379 4.7541 4.7541 5.2676 5.2676
10.1952 10.1952 10.3192 10.3192 10.8159 10.8159 11.1604 11.1604
11.8894 11.8894 19.4013 19.4013 19.6209 19.6209
k = 0.5000-0.0861-0.5074 ( 734 PWs) bands (ev):
-8.4530 -8.4530 4.0904 4.0904 4.7377 4.7377 5.2549 5.2549
10.1918 10.1918 10.3082 10.3082 10.8207 10.8207 11.1276 11.1276
11.8635 11.8635 19.5290 19.5290 19.6024 19.6024
k = 0.5000-0.0806-0.5153 ( 734 PWs) bands (ev):
-8.4511 -8.4511 4.1426 4.1426 4.7221 4.7221 5.2407 5.2407
10.1890 10.1890 10.2979 10.2979 10.8248 10.8248 11.0966 11.0966
11.8385 11.8385 19.5818 19.5818 19.6571 19.6571
k = 0.5000-0.0750-0.5232 ( 732 PWs) bands (ev):
-8.4493 -8.4493 4.1944 4.1944 4.7074 4.7074 5.2250 5.2250
10.1871 10.1871 10.2882 10.2882 10.8284 10.8284 11.0676 11.0676
11.8146 11.8146 19.5642 19.5642 19.7802 19.7802
k = 0.5000-0.0695-0.5310 ( 732 PWs) bands (ev):
-8.4477 -8.4477 4.2456 4.2456 4.6937 4.6937 5.2079 5.2079
10.1855 10.1855 10.2793 10.2793 10.8309 10.8309 11.0408 11.0408
11.7918 11.7918 19.5466 19.5466 19.9007 19.9007
k = 0.5000-0.0640-0.5389 ( 732 PWs) bands (ev):
-8.4462 -8.4462 4.2960 4.2960 4.6810 4.6810 5.1893 5.1893
10.1843 10.1843 10.2711 10.2711 10.8325 10.8325 11.0165 11.0165
11.7704 11.7704 19.5295 19.5295 20.0174 20.0174
k = 0.5000-0.0584-0.5468 ( 732 PWs) bands (ev):
-8.4449 -8.4449 4.3453 4.3453 4.6693 4.6693 5.1696 5.1696
10.1836 10.1836 10.2638 10.2638 10.8327 10.8327 10.9949 10.9949
11.7505 11.7505 19.5130 19.5130 20.1297 20.1297
k = 0.5000-0.0529-0.5546 ( 732 PWs) bands (ev):
-8.4438 -8.4438 4.3932 4.3932 4.6588 4.6588 5.1488 5.1488
10.1830 10.1830 10.2572 10.2572 10.8316 10.8316 10.9763 10.9763
11.7321 11.7321 19.4971 19.4971 20.2365 20.2365
k = 0.5000-0.0474-0.5625 ( 732 PWs) bands (ev):
-8.4428 -8.4428 4.4394 4.4394 4.6494 4.6494 5.1272 5.1272
10.1826 10.1826 10.2516 10.2516 10.8289 10.8289 10.9610 10.9610
11.7154 11.7154 19.4821 19.4821 20.3368 20.3368
k = 0.5000-0.0418-0.5703 ( 732 PWs) bands (ev):
-8.4420 -8.4420 4.4832 4.4832 4.6413 4.6413 5.1053 5.1053
10.1823 10.1823 10.2468 10.2468 10.8249 10.8249 10.9489 10.9489
11.7005 11.7005 19.4678 19.4678 20.4295 20.4295
k = 0.5000-0.0363-0.5782 ( 732 PWs) bands (ev):
-8.4415 -8.4415 4.5241 4.5241 4.6343 4.6343 5.0836 5.0836
10.1819 10.1819 10.2428 10.2428 10.8197 10.8197 10.9399 10.9399
11.6874 11.6874 19.4545 19.4545 20.5130 20.5130
k = 0.5000-0.0308-0.5861 ( 734 PWs) bands (ev):
-8.4411 -8.4411 4.5609 4.5609 4.6286 4.6286 5.0630 5.0630
10.1814 10.1814 10.2395 10.2395 10.8140 10.8140 10.9334 10.9334
11.6763 11.6763 19.4420 19.4420 20.5843 20.5843
k = 0.5000-0.0252-0.5939 ( 734 PWs) bands (ev):
-8.4409 -8.4409 4.5924 4.5924 4.6245 4.6245 5.0447 5.0447
10.1808 10.1808 10.2369 10.2369 10.8085 10.8085 10.9291 10.9291
11.6672 11.6672 19.4306 19.4306 20.6174 20.6174
k = 0.5000-0.0197-0.6018 ( 734 PWs) bands (ev):
-8.4409 -8.4409 4.6144 4.6144 4.6240 4.6240 5.0303 5.0303
10.1801 10.1801 10.2349 10.2349 10.8038 10.8038 10.9263 10.9263
11.6601 11.6601 19.4203 19.4203 20.6146 20.6146
k = 0.5000-0.0142-0.6097 ( 732 PWs) bands (ev):
-8.4412 -8.4412 4.6173 4.6173 4.6354 4.6354 5.0217 5.0217
10.1793 10.1793 10.2333 10.2333 10.8004 10.8004 10.9249 10.9249
11.6552 11.6552 19.4111 19.4111 20.6130 20.6130
k = 0.5000-0.0086-0.6175 ( 732 PWs) bands (ev):
-8.4416 -8.4416 4.6169 4.6169 4.6408 4.6408 5.0205 5.0205
10.1785 10.1785 10.2320 10.2320 10.7984 10.7984 10.9243 10.9243
11.6523 11.6523 19.4030 19.4030 20.6153 20.6153
k = 0.7525 0.1352-0.2167 ( 732 PWs) bands (ev):
-8.4416 -8.4416 4.6169 4.6169 4.6408 4.6408 5.0205 5.0205
10.1785 10.1785 10.2320 10.2320 10.7984 10.7984 10.9243 10.9243
11.6523 11.6523 19.4030 19.4030 20.6153 20.6153
k = 0.7477 0.1380-0.2088 ( 732 PWs) bands (ev):
-8.4422 -8.4422 4.6172 4.6172 4.6360 4.6360 5.0271 5.0271
10.1778 10.1778 10.2310 10.2310 10.7983 10.7983 10.9244 10.9244
11.6516 11.6516 19.3962 19.3962 20.6217 20.6217
k = 0.7429 0.1408-0.2009 ( 732 PWs) bands (ev):
-8.4430 -8.4430 4.6152 4.6152 4.6246 4.6246 5.0409 5.0409
10.1770 10.1770 10.2301 10.2301 10.7999 10.7999 10.9253 10.9253
11.6530 11.6530 19.3907 19.3907 20.6321 20.6321
k = 0.7382 0.1437-0.1931 ( 734 PWs) bands (ev):
-8.4441 -8.4441 4.5948 4.5948 4.6243 4.6243 5.0602 5.0602
10.1763 10.1763 10.2295 10.2295 10.8032 10.8032 10.9270 10.9270
11.6564 11.6564 19.3865 19.3865 20.6459 20.6459
k = 0.7334 0.1465-0.1852 ( 732 PWs) bands (ev):
-8.4453 -8.4453 4.5648 4.5648 4.6284 4.6284 5.0832 5.0832
10.1759 10.1759 10.2293 10.2293 10.8080 10.8080 10.9297 10.9297
11.6621 11.6621 19.3836 19.3836 20.6579 20.6579
k = 0.7286 0.1493-0.1773 ( 734 PWs) bands (ev):
-8.4467 -8.4467 4.5293 4.5293 4.6340 4.6340 5.1082 5.1082
10.1753 10.1753 10.2293 10.2293 10.8138 10.8138 10.9337 10.9337
11.6697 11.6697 19.3820 19.3820 20.6212 20.6212
k = 0.7239 0.1521-0.1695 ( 732 PWs) bands (ev):
-8.4483 -8.4483 4.4900 4.4900 4.6409 4.6409 5.1342 5.1342
10.1749 10.1749 10.2300 10.2300 10.8202 10.8202 10.9395 10.9395
11.6794 11.6794 19.3818 19.3818 20.5557 20.5557
k = 0.7191 0.1550-0.1616 ( 732 PWs) bands (ev):
-8.4501 -8.4501 4.4475 4.4475 4.6490 4.6490 5.1604 5.1604
10.1744 10.1744 10.2312 10.2312 10.8265 10.8265 10.9474 10.9474
11.6910 11.6910 19.3829 19.3829 20.4781 20.4781
k = 0.7144 0.1578-0.1537 ( 732 PWs) bands (ev):
-8.4521 -8.4521 4.4027 4.4027 4.6584 4.6584 5.1862 5.1862
10.1740 10.1740 10.2330 10.2330 10.8321 10.8321 10.9582 10.9582
11.7044 11.7044 19.3853 19.3853 20.3909 20.3909
k = 0.7096 0.1606-0.1459 ( 732 PWs) bands (ev):
-8.4543 -8.4543 4.3560 4.3560 4.6690 4.6690 5.2112 5.2112
10.1737 10.1737 10.2358 10.2358 10.8365 10.8365 10.9720 10.9720
11.7197 11.7197 19.3891 19.3891 20.2955 20.2955
k = 0.7048 0.1634-0.1380 ( 728 PWs) bands (ev):
-8.4566 -8.4566 4.3078 4.3078 4.6807 4.6807 5.2351 5.2351
10.1736 10.1736 10.2395 10.2395 10.8394 10.8394 10.9891 10.9891
11.7367 11.7367 19.3942 19.3942 20.1931 20.1931
k = 0.7001 0.1662-0.1301 ( 728 PWs) bands (ev):
-8.4591 -8.4591 4.2583 4.2583 4.6935 4.6935 5.2578 5.2578
10.1737 10.1737 10.2440 10.2440 10.8408 10.8408 11.0093 11.0093
11.7552 11.7552 19.4005 19.4005 20.0849 20.0849
k = 0.6953 0.1691-0.1222 ( 728 PWs) bands (ev):
-8.4617 -8.4617 4.2079 4.2079 4.7073 4.7073 5.2790 5.2790
10.1740 10.1740 10.2494 10.2494 10.8407 10.8407 11.0324 11.0324
11.7752 11.7752 19.4080 19.4080 19.9717 19.9717
k = 0.6905 0.1719-0.1144 ( 730 PWs) bands (ev):
-8.4645 -8.4645 4.1567 4.1567 4.7221 4.7221 5.2988 5.2988
10.1748 10.1748 10.2556 10.2556 10.8395 10.8395 11.0579 11.0579
11.7965 11.7965 19.4167 19.4167 19.8544 19.8544
k = 0.6858 0.1747-0.1065 ( 732 PWs) bands (ev):
-8.4675 -8.4675 4.1049 4.1049 4.7379 4.7379 5.3171 5.3171
10.1759 10.1759 10.2628 10.2628 10.8372 10.8372 11.0859 11.0859
11.8190 11.8190 19.4265 19.4265 19.7336 19.7336
k = 0.6810 0.1775-0.0986 ( 732 PWs) bands (ev):
-8.4705 -8.4705 4.0528 4.0528 4.7546 4.7546 5.3338 5.3338
10.1777 10.1777 10.2707 10.2707 10.8341 10.8341 11.1160 11.1160
11.8427 11.8427 19.4374 19.4374 19.6101 19.6101
k = 0.6762 0.1804-0.0908 ( 730 PWs) bands (ev):
-8.4737 -8.4737 4.0004 4.0004 4.7721 4.7721 5.3489 5.3489
10.1802 10.1802 10.2795 10.2795 10.8303 10.8303 11.1480 11.1480
11.8673 11.8673 19.4485 19.4485 19.4849 19.4849
k = 0.6715 0.1832-0.0829 ( 730 PWs) bands (ev):
-8.4770 -8.4770 3.9479 3.9479 4.7904 4.7904 5.3625 5.3625
10.1833 10.1833 10.2889 10.2889 10.8259 10.8259 11.1817 11.1817
11.8928 11.8928 19.3557 19.3557 19.4627 19.4627
k = 0.6667 0.1860-0.0750 ( 732 PWs) bands (ev):
-8.4804 -8.4804 3.8955 3.8955 4.8094 4.8094 5.3746 5.3746
10.1870 10.1870 10.2990 10.2990 10.8210 10.8210 11.2170 11.2170
11.9189 11.9189 19.2266 19.2266 19.4763 19.4763
k = 0.6620 0.1888-0.0672 ( 730 PWs) bands (ev):
-8.4838 -8.4838 3.8432 3.8432 4.8291 4.8291 5.3853 5.3853
10.1917 10.1917 10.3097 10.3097 10.8157 10.8157 11.2538 11.2538
11.9456 11.9456 19.0963 19.0963 19.4908 19.4908
k = 0.6572 0.1917-0.0593 ( 730 PWs) bands (ev):
-8.4874 -8.4874 3.7913 3.7913 4.8494 4.8494 5.3945 5.3945
10.1971 10.1971 10.3209 10.3209 10.8100 10.8100 11.2919 11.2919
11.9728 11.9728 18.9651 18.9651 19.5062 19.5062
k = 0.6524 0.1945-0.0514 ( 730 PWs) bands (ev):
-8.4910 -8.4910 3.7397 3.7397 4.8701 4.8701 5.4023 5.4023
10.2033 10.2033 10.3326 10.3326 10.8041 10.8041 11.3312 11.3312
12.0003 12.0003 18.8335 18.8335 19.5221 19.5221
k = 0.6477 0.1973-0.0435 ( 730 PWs) bands (ev):
-8.4946 -8.4946 3.6887 3.6887 4.8913 4.8913 5.4088 5.4088
10.2103 10.2103 10.3446 10.3446 10.7980 10.7980 11.3717 11.3717
12.0280 12.0280 18.7016 18.7016 19.5387 19.5387
k = 0.6429 0.2001-0.0357 ( 730 PWs) bands (ev):
-8.4983 -8.4983 3.6383 3.6383 4.9129 4.9129 5.4141 5.4141
10.2181 10.2181 10.3569 10.3569 10.7917 10.7917 11.4133 11.4133
12.0558 12.0558 18.5697 18.5697 19.5558 19.5558
k = 0.6381 0.2030-0.0278 ( 730 PWs) bands (ev):
-8.5021 -8.5021 3.5886 3.5886 4.9347 4.9347 5.4183 5.4183
10.2267 10.2267 10.3695 10.3695 10.7854 10.7854 11.4559 11.4559
12.0836 12.0836 18.4381 18.4381 19.5734 19.5734
k = 0.6334 0.2058-0.0199 ( 728 PWs) bands (ev):
-8.5058 -8.5058 3.5398 3.5398 4.9567 4.9567 5.4214 5.4214
10.2360 10.2360 10.3821 10.3821 10.7792 10.7792 11.4994 11.4994
12.1112 12.1112 18.3070 18.3070 19.5913 19.5913
k = 0.6286 0.2086-0.0121 ( 726 PWs) bands (ev):
-8.5095 -8.5095 3.4919 3.4919 4.9789 4.9789 5.4235 5.4235
10.2461 10.2461 10.3947 10.3947 10.7730 10.7730 11.5438 11.5438
12.1387 12.1387 18.1765 18.1765 19.6095 19.6095
k = 0.6238 0.2114-0.0042 ( 730 PWs) bands (ev):
-8.5133 -8.5133 3.4450 3.4450 5.0011 5.0011 5.4246 5.4246
10.2567 10.2567 10.4073 10.4073 10.7669 10.7669 11.5889 11.5889
12.1657 12.1657 18.0469 18.0469 19.6278 19.6278
k = 0.6191 0.2143 0.0037 ( 730 PWs) bands (ev):
-8.5170 -8.5170 3.3991 3.3991 5.0232 5.0232 5.4249 5.4249
10.2681 10.2681 10.4196 10.4196 10.7611 10.7611 11.6348 11.6348
12.1924 12.1924 17.9184 17.9184 19.6463 19.6463
k = 0.6143 0.2171 0.0115 ( 732 PWs) bands (ev):
-8.5206 -8.5206 3.3545 3.3545 5.0453 5.0453 5.4245 5.4245
10.2800 10.2800 10.4317 10.4317 10.7555 10.7555 11.6813 11.6813
12.2185 12.2185 17.7911 17.7911 19.6649 19.6649
k = 0.6096 0.2199 0.0194 ( 730 PWs) bands (ev):
-8.5243 -8.5243 3.3111 3.3111 5.0671 5.0671 5.4234 5.4234
10.2926 10.2926 10.4434 10.4434 10.7503 10.7503 11.7284 11.7284
12.2440 12.2440 17.6654 17.6654 19.6834 19.6834
k = 0.6048 0.2227 0.0273 ( 734 PWs) bands (ev):
-8.5278 -8.5278 3.2691 3.2691 5.0887 5.0887 5.4217 5.4217
10.3054 10.3054 10.4545 10.4545 10.7456 10.7456 11.7759 11.7759
12.2689 12.2689 17.5414 17.5414 19.7017 19.7017
k = 0.6000 0.2255 0.0352 ( 738 PWs) bands (ev):
-8.5314 -8.5314 3.2284 3.2284 5.1098 5.1098 5.4195 5.4195
10.3186 10.3186 10.4650 10.4650 10.7414 10.7414 11.8237 11.8237
12.2930 12.2930 17.4193 17.4193 19.7199 19.7199
k = 0.5953 0.2284 0.0430 ( 740 PWs) bands (ev):
-8.5348 -8.5348 3.1892 3.1892 5.1306 5.1306 5.4169 5.4169
10.3321 10.3321 10.4747 10.4747 10.7379 10.7379 11.8718 11.8718
12.3163 12.3163 17.2994 17.2994 19.7378 19.7378
k = 0.5905 0.2312 0.0509 ( 738 PWs) bands (ev):
-8.5381 -8.5381 3.1515 3.1515 5.1509 5.1509 5.4139 5.4139
10.3460 10.3460 10.4837 10.4837 10.7351 10.7351 11.9202 11.9202
12.3389 12.3389 17.1819 17.1819 19.7553 19.7553
k = 0.5857 0.2340 0.0588 ( 738 PWs) bands (ev):
-8.5413 -8.5413 3.1154 3.1154 5.1707 5.1707 5.4107 5.4107
10.3599 10.3599 10.4919 10.4919 10.7330 10.7330 11.9684 11.9684
12.3606 12.3606 17.0671 17.0671 19.7724 19.7724
k = 0.5810 0.2368 0.0666 ( 738 PWs) bands (ev):
-8.5444 -8.5444 3.0810 3.0810 5.1898 5.1898 5.4072 5.4072
10.3739 10.3739 10.4990 10.4990 10.7316 10.7316 12.0165 12.0165
12.3813 12.3813 16.9552 16.9552 19.7891 19.7891
k = 0.5762 0.2397 0.0745 ( 738 PWs) bands (ev):
-8.5474 -8.5474 3.0482 3.0482 5.2081 5.2081 5.4035 5.4035
10.3877 10.3877 10.5052 10.5052 10.7310 10.7310 12.0643 12.0643
12.4010 12.4010 16.8464 16.8464 19.8051 19.8051
k = 0.5715 0.2425 0.0824 ( 740 PWs) bands (ev):
-8.5503 -8.5503 3.0172 3.0172 5.2257 5.2257 5.3998 5.3998
10.4014 10.4014 10.5104 10.5104 10.7311 10.7311 12.1116 12.1116
12.4196 12.4196 16.7412 16.7412 19.8206 19.8206
k = 0.5667 0.2453 0.0902 ( 740 PWs) bands (ev):
-8.5530 -8.5530 2.9880 2.9880 5.2425 5.2425 5.3960 5.3960
10.4148 10.4148 10.5147 10.5147 10.7320 10.7320 12.1582 12.1582
12.4372 12.4372 16.6398 16.6398 19.8354 19.8354
k = 0.5619 0.2481 0.0981 ( 738 PWs) bands (ev):
-8.5556 -8.5556 2.9606 2.9606 5.2584 5.2584 5.3923 5.3923
10.4279 10.4279 10.5181 10.5181 10.7335 10.7335 12.2039 12.2039
12.4538 12.4538 16.5426 16.5426 19.8494 19.8494
k = 0.5572 0.2510 0.1060 ( 738 PWs) bands (ev):
-8.5580 -8.5580 2.9351 2.9351 5.2734 5.2734 5.3886 5.3886
10.4404 10.4404 10.5207 10.5207 10.7356 10.7356 12.2482 12.2482
12.4692 12.4692 16.4500 16.4500 19.8626 19.8626
k = 0.5524 0.2538 0.1139 ( 738 PWs) bands (ev):
-8.5603 -8.5603 2.9114 2.9114 5.2873 5.2873 5.3851 5.3851
10.4524 10.4524 10.5225 10.5225 10.7380 10.7380 12.2911 12.2911
12.4835 12.4835 16.3623 16.3623 19.8750 19.8750
k = 0.5476 0.2566 0.1217 ( 738 PWs) bands (ev):
-8.5623 -8.5623 2.8898 2.8898 5.3002 5.3002 5.3817 5.3817
10.4637 10.4637 10.5238 10.5238 10.7407 10.7407 12.3320 12.3320
12.4966 12.4966 16.2800 16.2800 19.8865 19.8865
k = 0.5429 0.2594 0.1296 ( 740 PWs) bands (ev):
-8.5642 -8.5642 2.8701 2.8701 5.3119 5.3119 5.3785 5.3785
10.4742 10.4742 10.5247 10.5247 10.7436 10.7436 12.3707 12.3707
12.5085 12.5085 16.2035 16.2035 19.8970 19.8970
k = 0.5381 0.2623 0.1375 ( 738 PWs) bands (ev):
-8.5660 -8.5660 2.8524 2.8524 5.3226 5.3226 5.3756 5.3756
10.4838 10.4838 10.5252 10.5252 10.7465 10.7465 12.4069 12.4069
12.5192 12.5192 16.1333 16.1333 19.9065 19.9065
k = 0.5333 0.2651 0.1453 ( 742 PWs) bands (ev):
-8.5675 -8.5675 2.8367 2.8367 5.3320 5.3320 5.3729 5.3729
10.4924 10.4924 10.5254 10.5254 10.7493 10.7493 12.4401 12.4401
12.5287 12.5287 16.0699 16.0699 19.9150 19.9150
k = 0.5286 0.2679 0.1532 ( 742 PWs) bands (ev):
-8.5688 -8.5688 2.8230 2.8230 5.3402 5.3402 5.3705 5.3705
10.4999 10.4999 10.5256 10.5256 10.7519 10.7519 12.4699 12.4699
12.5370 12.5370 16.0137 16.0137 19.9224 19.9224
k = 0.5238 0.2707 0.1611 ( 744 PWs) bands (ev):
-8.5700 -8.5700 2.8115 2.8115 5.3472 5.3472 5.3685 5.3685
10.5060 10.5060 10.5258 10.5258 10.7543 10.7543 12.4958 12.4958
12.5442 12.5442 15.9652 15.9652 19.9288 19.9288
k = 0.5191 0.2736 0.1689 ( 742 PWs) bands (ev):
-8.5709 -8.5709 2.8020 2.8020 5.3529 5.3529 5.3669 5.3669
10.5109 10.5109 10.5263 10.5263 10.7564 10.7564 12.5175 12.5175
12.5502 12.5502 15.9248 15.9248 19.9341 19.9341
k = 0.5143 0.2764 0.1768 ( 740 PWs) bands (ev):
-8.5716 -8.5716 2.7946 2.7946 5.3573 5.3573 5.3657 5.3657
10.5143 10.5143 10.5271 10.5271 10.7581 10.7581 12.5344 12.5344
12.5553 12.5553 15.8930 15.8930 19.9381 19.9381
k = 0.5095 0.2792 0.1847 ( 740 PWs) bands (ev):
-8.5722 -8.5722 2.7893 2.7893 5.3602 5.3602 5.3651 5.3651
10.5164 10.5164 10.5280 10.5280 10.7593 10.7593 12.5459 12.5459
12.5598 12.5598 15.8700 15.8700 19.9411 19.9411
k = 0.5048 0.2820 0.1926 ( 732 PWs) bands (ev):
-8.5725 -8.5725 2.7862 2.7862 5.3616 5.3616 5.3652 5.3652
10.5176 10.5176 10.5289 10.5289 10.7601 10.7601 12.5521 12.5521
12.5635 12.5635 15.8561 15.8561 19.9428 19.9428
k = 0.5000 0.2848 0.2004 ( 730 PWs) bands (ev):
-8.5726 -8.5726 2.7851 2.7851 5.3619 5.3619 5.3654 5.3654
10.5180 10.5180 10.5292 10.5292 10.7604 10.7604 12.5538 12.5538
12.5651 12.5651 15.8514 15.8514 19.9434 19.9434
k = 0.5000 0.2848 0.2004 ( 730 PWs) bands (ev):
-8.5726 -8.5726 2.7851 2.7851 5.3619 5.3619 5.3654 5.3654
10.5180 10.5180 10.5292 10.5292 10.7604 10.7604 12.5538 12.5538
12.5651 12.5651 15.8514 15.8514 19.9434 19.9434
k = 0.4921 0.2803 0.1972 ( 730 PWs) bands (ev):
-8.5733 -8.5733 2.7872 2.7872 5.3626 5.3626 5.3662 5.3662
10.5174 10.5174 10.5286 10.5286 10.7594 10.7594 12.5526 12.5526
12.5638 12.5638 15.8504 15.8504 19.9455 19.9455
k = 0.4841 0.2758 0.1941 ( 733 PWs) bands (ev):
-8.5756 -8.5756 2.7932 2.7932 5.3650 5.3650 5.3685 5.3685
10.5156 10.5156 10.5267 10.5267 10.7561 10.7561 12.5487 12.5487
12.5600 12.5600 15.8473 15.8473 19.9515 19.9515
k = 0.4762 0.2713 0.1909 ( 733 PWs) bands (ev):
-8.5793 -8.5793 2.8032 2.8032 5.3688 5.3688 5.3724 5.3724
10.5126 10.5126 10.5235 10.5235 10.7508 10.7508 12.5424 12.5424
12.5537 12.5537 15.8422 15.8422 19.9617 19.9617
k = 0.4683 0.2668 0.1877 ( 739 PWs) bands (ev):
-8.5845 -8.5845 2.8173 2.8173 5.3742 5.3742 5.3778 5.3778
10.5083 10.5083 10.5190 10.5190 10.7434 10.7434 12.5333 12.5333
12.5447 12.5447 15.8348 15.8348 19.9761 19.9761
k = 0.4603 0.2622 0.1845 ( 739 PWs) bands (ev):
-8.5912 -8.5912 2.8354 2.8354 5.3812 5.3812 5.3848 5.3848
10.5030 10.5030 10.5134 10.5134 10.7340 10.7340 12.5220 12.5220
12.5334 12.5334 15.8251 15.8251 19.9948 19.9948
k = 0.4524 0.2577 0.1813 ( 739 PWs) bands (ev):
-8.5993 -8.5993 2.8574 2.8574 5.3897 5.3897 5.3934 5.3934
10.4964 10.4964 10.5065 10.5065 10.7228 10.7228 12.5081 12.5081
12.5196 12.5196 15.8129 15.8129 20.0181 20.0181
k = 0.4444 0.2532 0.1782 ( 739 PWs) bands (ev):
-8.6088 -8.6088 2.8833 2.8833 5.3998 5.3998 5.4035 5.4035
10.4888 10.4888 10.4984 10.4984 10.7097 10.7097 12.4918 12.4918
12.5034 12.5034 15.7980 15.7980 20.0458 20.0458
k = 0.4365 0.2487 0.1750 ( 739 PWs) bands (ev):
-8.6197 -8.6197 2.9131 2.9131 5.4113 5.4113 5.4152 5.4152
10.4801 10.4801 10.4892 10.4892 10.6948 10.6948 12.4731 12.4731
12.4848 12.4848 15.7803 15.7803 20.0783 20.0783
k = 0.4286 0.2442 0.1718 ( 742 PWs) bands (ev):
-8.6319 -8.6319 2.9467 2.9467 5.4244 5.4244 5.4283 5.4283
10.4703 10.4703 10.4787 10.4787 10.6780 10.6780 12.4520 12.4520
12.4638 12.4638 15.7595 15.7595 20.1157 20.1157
k = 0.4206 0.2396 0.1686 ( 742 PWs) bands (ev):
-8.6454 -8.6454 2.9841 2.9841 5.4390 5.4390 5.4430 5.4430
10.4595 10.4595 10.4672 10.4672 10.6600 10.6600 12.4286 12.4286
12.4405 12.4405 15.7354 15.7354 20.1582 20.1582
k = 0.4127 0.2351 0.1654 ( 748 PWs) bands (ev):
-8.6601 -8.6601 3.0252 3.0252 5.4549 5.4549 5.4590 5.4590
10.4475 10.4475 10.4545 10.4545 10.6406 10.6406 12.4029 12.4029
12.4149 12.4149 15.7078 15.7078 20.2059 20.2059
k = 0.4048 0.2306 0.1622 ( 748 PWs) bands (ev):
-8.6760 -8.6760 3.0699 3.0699 5.4725 5.4725 5.4767 5.4767
10.4347 10.4347 10.4408 10.4408 10.6199 10.6199 12.3749 12.3749
12.3871 12.3871 15.6767 15.6767 20.2589 20.2589
k = 0.3968 0.2261 0.1591 ( 748 PWs) bands (ev):
-8.6931 -8.6931 3.1182 3.1182 5.4915 5.4915 5.4958 5.4958
10.4209 10.4209 10.4260 10.4260 10.5982 10.5982 12.3448 12.3448
12.3571 12.3571 15.6417 15.6417 20.3175 20.3175
k = 0.3889 0.2215 0.1559 ( 748 PWs) bands (ev):
-8.7112 -8.7112 3.1701 3.1701 5.5120 5.5120 5.5165 5.5165
10.4062 10.4062 10.4102 10.4102 10.5754 10.5754 12.3126 12.3126
12.3250 12.3250 15.6028 15.6028 20.3816 20.3816
k = 0.3810 0.2170 0.1527 ( 748 PWs) bands (ev):
-8.7303 -8.7303 3.2253 3.2253 5.5339 5.5339 5.5385 5.5385
10.3907 10.3907 10.3935 10.3935 10.5517 10.5517 12.2783 12.2783
12.2909 12.2909 15.5599 15.5599 20.4513 20.4513
k = 0.3730 0.2125 0.1495 ( 748 PWs) bands (ev):
-8.7503 -8.7503 3.2839 3.2839 5.5572 5.5572 5.5620 5.5620
10.3743 10.3743 10.3758 10.3758 10.5273 10.5273 12.2419 12.2419
12.2548 12.2548 15.5129 15.5129 20.5267 20.5267
k = 0.3651 0.2080 0.1463 ( 748 PWs) bands (ev):
-8.7713 -8.7713 3.3458 3.3458 5.5820 5.5820 5.5869 5.5869
10.3571 10.3571 10.3573 10.3573 10.5023 10.5023 12.2037 12.2037
12.2167 12.2167 15.4618 15.4618 20.6077 20.6077
k = 0.3571 0.2035 0.1432 ( 748 PWs) bands (ev):
-8.7930 -8.7930 3.4108 3.4108 5.6081 5.6081 5.6132 5.6132
10.3379 10.3379 10.3393 10.3393 10.4768 10.4768 12.1636 12.1636
12.1767 12.1767 15.4066 15.4066 20.6944 20.6944
k = 0.3492 0.1989 0.1400 ( 748 PWs) bands (ev):
-8.8155 -8.8155 3.4789 3.4789 5.6356 5.6356 5.6409 5.6409
10.3177 10.3177 10.3207 10.3207 10.4510 10.4510 12.1216 12.1216
12.1350 12.1350 15.3473 15.3473 20.7867 20.7867
k = 0.3413 0.1944 0.1368 ( 748 PWs) bands (ev):
-8.8387 -8.8387 3.5500 3.5500 5.6644 5.6644 5.6700 5.6700
10.2968 10.2968 10.3016 10.3016 10.4249 10.4249 12.0780 12.0780
12.0915 12.0915 15.2839 15.2839 20.8845 20.8845
k = 0.3333 0.1899 0.1336 ( 751 PWs) bands (ev):
-8.8625 -8.8625 3.6239 3.6239 5.6946 5.6946 5.7003 5.7003
10.2752 10.2752 10.2817 10.2817 10.3985 10.3985 12.0327 12.0327
12.0464 12.0464 15.2166 15.2166 20.9877 20.9877
k = 0.3254 0.1854 0.1304 ( 748 PWs) bands (ev):
-8.8868 -8.8868 3.7006 3.7006 5.7261 5.7261 5.7321 5.7321
10.2530 10.2530 10.2614 10.2614 10.3722 10.3722 11.9859 11.9859
11.9997 11.9997 15.1455 15.1455 21.0961 21.0961
k = 0.3175 0.1809 0.1273 ( 754 PWs) bands (ev):
-8.9115 -8.9115 3.7800 3.7800 5.7587 5.7587 5.7650 5.7650
10.2301 10.2301 10.2405 10.2405 10.3456 10.3456 11.9374 11.9374
11.9515 11.9515 15.0707 15.0707 21.2097 21.2097
k = 0.3095 0.1763 0.1241 ( 754 PWs) bands (ev):
-8.9367 -8.9367 3.8620 3.8620 5.7926 5.7926 5.7991 5.7991
10.2069 10.2069 10.2194 10.2194 10.3193 10.3193 11.8876 11.8876
11.9018 11.9018 14.9924 14.9924 21.3282 21.3282
k = 0.3016 0.1718 0.1209 ( 754 PWs) bands (ev):
-8.9622 -8.9622 3.9464 3.9464 5.8277 5.8277 5.8345 5.8345
10.1834 10.1834 10.1979 10.1979 10.2931 10.2931 11.8364 11.8364
11.8508 11.8508 14.9107 14.9107 21.4516 21.4516
k = 0.2937 0.1673 0.1177 ( 754 PWs) bands (ev):
-8.9879 -8.9879 4.0331 4.0331 5.8640 5.8640 5.8710 5.8710
10.1595 10.1595 10.1760 10.1760 10.2671 10.2671 11.7840 11.7840
11.7985 11.7985 14.8258 14.8258 21.5796 21.5796
k = 0.2857 0.1628 0.1145 ( 754 PWs) bands (ev):
-9.0139 -9.0139 4.1221 4.1221 5.9013 5.9013 5.9087 5.9087
10.1355 10.1355 10.1540 10.1540 10.2413 10.2413 11.7304 11.7304
11.7451 11.7451 14.7379 14.7379 21.7120 21.7120
k = 0.2778 0.1582 0.1113 ( 754 PWs) bands (ev):
-9.0399 -9.0399 4.2132 4.2132 5.9398 5.9398 5.9475 5.9475
10.1113 10.1113 10.1317 10.1317 10.2157 10.2157 11.6757 11.6757
11.6905 11.6905 14.6473 14.6473 21.8486 21.8486
k = 0.2698 0.1537 0.1082 ( 754 PWs) bands (ev):
-9.0660 -9.0660 4.3062 4.3062 5.9792 5.9792 5.9873 5.9873
10.0870 10.0870 10.1093 10.1093 10.1904 10.1904 11.6200 11.6200
11.6349 11.6349 14.5540 14.5540 21.9893 21.9893
k = 0.2619 0.1492 0.1050 ( 754 PWs) bands (ev):
-9.0921 -9.0921 4.4011 4.4011 6.0197 6.0197 6.0281 6.0281
10.0628 10.0628 10.0867 10.0867 10.1653 10.1653 11.5633 11.5633
11.5784 11.5784 14.4584 14.4584 22.1338 22.1338
k = 0.2540 0.1447 0.1018 ( 754 PWs) bands (ev):
-9.1180 -9.1180 4.4977 4.4977 6.0611 6.0611 6.0699 6.0699
10.0387 10.0387 10.0642 10.0642 10.1406 10.1406 11.5059 11.5059
11.5210 11.5210 14.3606 14.3606 22.2819 22.2819
k = 0.2460 0.1402 0.0986 ( 748 PWs) bands (ev):
-9.1439 -9.1439 4.5960 4.5960 6.1033 6.1033 6.1126 6.1126
10.0149 10.0149 10.0418 10.0418 10.1163 10.1163 11.4478 11.4478
11.4630 11.4630 14.2609 14.2609 22.4335 22.4335
k = 0.2381 0.1356 0.0954 ( 748 PWs) bands (ev):
-9.1695 -9.1695 4.6957 4.6957 6.1464 6.1464 6.1561 6.1561
9.9911 9.9911 10.0193 10.0193 10.0922 10.0922 11.3890 11.3890
11.4042 11.4042 14.1595 14.1595 22.5882 22.5882
k = 0.2302 0.1311 0.0923 ( 745 PWs) bands (ev):
-9.1949 -9.1949 4.7967 4.7967 6.1903 6.1903 6.2004 6.2004
9.9678 9.9678 9.9969 9.9969 10.0686 10.0686 11.3296 11.3296
11.3449 11.3449 14.0566 14.0566 22.7460 22.7460
k = 0.2222 0.1266 0.0891 ( 733 PWs) bands (ev):
-9.2200 -9.2200 4.8989 4.8989 6.2350 6.2350 6.2456 6.2456
9.9448 9.9448 9.9749 9.9749 10.0455 10.0455 11.2700 11.2700
11.2853 11.2853 13.9525 13.9525 22.9065 22.9065
k = 0.2143 0.1221 0.0859 ( 733 PWs) bands (ev):
-9.2446 -9.2446 5.0020 5.0020 6.2801 6.2801 6.2912 6.2912
9.9220 9.9220 9.9528 9.9528 10.0225 10.0225 11.2099 11.2099
11.2252 11.2252 13.8474 13.8474 23.0695 23.0695
k = 0.2063 0.1176 0.0827 ( 733 PWs) bands (ev):
-9.2689 -9.2689 5.1060 5.1060 6.3258 6.3258 6.3374 6.3374
9.8996 9.8996 9.9308 9.9308 10.0000 10.0000 11.1497 11.1497
11.1650 11.1650 13.7415 13.7415 23.2349 23.2349
k = 0.1984 0.1130 0.0795 ( 733 PWs) bands (ev):
-9.2927 -9.2927 5.2107 5.2107 6.3719 6.3719 6.3841 6.3841
9.8776 9.8776 9.9092 9.9092 9.9778 9.9778 11.0894 11.0894
11.1046 11.1046 13.6350 13.6350 23.4023 23.4023
k = 0.1905 0.1085 0.0764 ( 739 PWs) bands (ev):
-9.3159 -9.3159 5.3158 5.3158 6.4184 6.4184 6.4312 6.4312
9.8559 9.8559 9.8878 9.8878 9.9560 9.9560 11.0290 11.0290
11.0441 11.0441 13.5284 13.5284 23.5716 23.5716
k = 0.1825 0.1040 0.0732 ( 740 PWs) bands (ev):
-9.3386 -9.3386 5.4212 5.4212 6.4651 6.4651 6.4785 6.4785
9.8347 9.8347 9.8669 9.8669 9.9348 9.9348 10.9690 10.9690
10.9839 10.9839 13.4217 13.4217 23.7426 23.7426
k = 0.1746 0.0995 0.0700 ( 740 PWs) bands (ev):
-9.3606 -9.3606 5.5268 5.5268 6.5120 6.5120 6.5260 6.5260
9.8140 9.8140 9.8463 9.8463 9.9140 9.9140 10.9093 10.9093
10.9239 10.9239 13.3153 13.3153 23.9151 23.9151
k = 0.1667 0.0949 0.0668 ( 743 PWs) bands (ev):
-9.3819 -9.3819 5.6322 5.6322 6.5589 6.5589 6.5736 6.5736
9.7937 9.7937 9.8259 9.8259 9.8936 9.8936 10.8501 10.8501
10.8644 10.8644 13.2095 13.2095 24.0886 24.0886
k = 0.1587 0.0904 0.0636 ( 740 PWs) bands (ev):
-9.4026 -9.4026 5.7372 5.7372 6.6058 6.6058 6.6212 6.6212
9.7739 9.7739 9.8062 9.8062 9.8738 9.8738 10.7916 10.7916
10.8056 10.8056 13.1046 13.1046 24.2630 24.2630
k = 0.1508 0.0859 0.0604 ( 743 PWs) bands (ev):
-9.4225 -9.4225 5.8417 5.8417 6.6524 6.6524 6.6686 6.6686
9.7544 9.7544 9.7868 9.7868 9.8544 9.8544 10.7340 10.7340
10.7475 10.7475 13.0008 13.0008 24.4381 24.4381
k = 0.1429 0.0814 0.0573 ( 743 PWs) bands (ev):
-9.4415 -9.4415 5.9452 5.9452 6.6986 6.6986 6.7155 6.7155
9.7354 9.7354 9.7679 9.7679 9.8356 9.8356 10.6773 10.6773
10.6903 10.6903 12.8985 12.8985 24.6134 24.6134
k = 0.1349 0.0769 0.0541 ( 737 PWs) bands (ev):
-9.4598 -9.4598 6.0476 6.0476 6.7443 6.7443 6.7620 6.7620
9.7171 9.7171 9.7496 9.7496 9.8175 9.8175 10.6221 10.6221
10.6344 10.6344 12.7982 12.7982 24.7887 24.7887
k = 0.1270 0.0723 0.0509 ( 737 PWs) bands (ev):
-9.4772 -9.4772 6.1484 6.1484 6.7892 6.7892 6.8078 6.8078
9.6989 9.6989 9.7317 9.7317 9.7997 9.7997 10.5681 10.5681
10.5797 10.5797 12.7000 12.7000 24.9637 24.9637
k = 0.1190 0.0678 0.0477 ( 737 PWs) bands (ev):
-9.4937 -9.4937 6.2473 6.2473 6.8333 6.8333 6.8527 6.8527
9.6811 9.6811 9.7144 9.7144 9.7826 9.7826 10.5158 10.5158
10.5266 10.5266 12.6045 12.6045 25.1378 25.1378
k = 0.1111 0.0633 0.0445 ( 737 PWs) bands (ev):
-9.5093 -9.5093 6.3439 6.3439 6.8763 6.8763 6.8965 6.8965
9.6637 9.6637 9.6976 9.6976 9.7661 9.7661 10.4654 10.4654
10.4753 10.4753 12.5119 12.5119 25.3108 25.3108
k = 0.1032 0.0588 0.0414 ( 737 PWs) bands (ev):
-9.5239 -9.5239 6.4378 6.4378 6.9179 6.9179 6.9390 6.9390
9.6466 9.6466 9.6814 9.6814 9.7503 9.7503 10.4172 10.4172
10.4260 10.4260 12.4229 12.4229 25.4820 25.4820
k = 0.0952 0.0543 0.0382 ( 737 PWs) bands (ev):
-9.5375 -9.5375 6.5285 6.5285 6.9581 6.9581 6.9800 6.9800
9.6299 9.6299 9.6658 9.6658 9.7351 9.7351 10.3713 10.3713
10.3789 10.3789 12.3377 12.3377 25.6510 25.6510
k = 0.0873 0.0497 0.0350 ( 737 PWs) bands (ev):
-9.5502 -9.5502 6.6155 6.6155 6.9964 6.9964 7.0192 7.0192
9.6135 9.6135 9.6508 9.6508 9.7208 9.7208 10.3281 10.3281
10.3344 10.3344 12.2569 12.2569 25.8170 25.8170
k = 0.0794 0.0452 0.0318 ( 731 PWs) bands (ev):
-9.5618 -9.5618 6.6982 6.6982 7.0328 7.0328 7.0563 7.0563
9.5979 9.5979 9.6366 9.6366 9.7074 9.7074 10.2878 10.2878
10.2927 10.2927 12.1810 12.1810 25.9792 25.9792
k = 0.0714 0.0407 0.0286 ( 731 PWs) bands (ev):
-9.5724 -9.5724 6.7760 6.7760 7.0668 7.0668 7.0911 7.0911
9.5824 9.5824 9.6232 9.6232 9.6948 9.6948 10.2506 10.2506
10.2540 10.2540 12.1103 12.1103 26.1367 26.1367
k = 0.0635 0.0362 0.0255 ( 731 PWs) bands (ev):
-9.5819 -9.5819 6.8482 6.8482 7.0984 7.0984 7.1233 7.1233
9.5676 9.5676 9.6106 9.6106 9.6831 9.6831 10.2167 10.2167
10.2185 10.2185 12.0455 12.0455 26.2882 26.2882
k = 0.0556 0.0316 0.0223 ( 731 PWs) bands (ev):
-9.5903 -9.5903 6.9141 6.9141 7.1271 7.1271 7.1526 7.1526
9.5535 9.5535 9.5989 9.5989 9.6726 9.6726 10.1864 10.1864
10.1866 10.1866 11.9870 11.9870 26.4323 26.4323
k = 0.0476 0.0271 0.0191 ( 731 PWs) bands (ev):
-9.5976 -9.5976 6.9731 6.9731 7.1529 7.1529 7.1787 7.1787
9.5405 9.5405 9.5884 9.5884 9.6632 9.6632 10.1585 10.1585
10.1598 10.1598 11.9352 11.9352 26.5671 26.5671
k = 0.0397 0.0226 0.0159 ( 731 PWs) bands (ev):
-9.6039 -9.6039 7.0243 7.0243 7.1753 7.1753 7.2013 7.2013
9.5287 9.5287 9.5792 9.5792 9.6551 9.6551 10.1344 10.1344
10.1371 10.1371 11.8906 11.8906 26.6903 26.6903
k = 0.0317 0.0181 0.0127 ( 731 PWs) bands (ev):
-9.6090 -9.6090 7.0671 7.0671 7.1943 7.1943 7.2202 7.2202
9.5186 9.5186 9.5713 9.5713 9.6483 9.6483 10.1144 10.1144
10.1183 10.1183 11.8535 11.8535 26.7989 26.7989
k = 0.0238 0.0136 0.0095 ( 731 PWs) bands (ev):
-9.6129 -9.6129 7.1009 7.1009 7.2096 7.2096 7.2351 7.2351
9.5103 9.5103 9.5650 9.5650 9.6430 9.6430 10.0986 10.0986
10.1037 10.1037 11.8243 11.8243 26.8896 26.8896
k = 0.0159 0.0090 0.0064 ( 731 PWs) bands (ev):
-9.6158 -9.6158 7.1252 7.1252 7.2208 7.2208 7.2459 7.2459
9.5041 9.5041 9.5604 9.5604 9.6391 9.6391 10.0873 10.0873
10.0932 10.0932 11.8033 11.8033 26.9584 26.9584
k = 0.0079 0.0045 0.0032 ( 725 PWs) bands (ev):
-9.6175 -9.6175 7.1399 7.1399 7.2277 7.2277 7.2525 7.2525
9.5004 9.5004 9.5577 9.5577 9.6368 9.6368 10.0807 10.0807
10.0870 10.0870 11.7905 11.7905 27.0016 27.0016
k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev):
-9.6181 -9.6181 7.1448 7.1448 7.2301 7.2301 7.2547 7.2547
9.4992 9.4992 9.5568 9.5568 9.6360 9.6360 10.0784 10.0784
10.0849 10.0849 11.7863 11.7863 27.0163 27.0163
k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev):
-9.6181 -9.6181 7.1448 7.1448 7.2301 7.2301 7.2547 7.2547
9.4992 9.4992 9.5568 9.5568 9.6360 9.6360 10.0784 10.0784
10.0849 10.0849 11.7863 11.7863 27.0163 27.0163
k = 0.0048-0.0028-0.0079 ( 725 PWs) bands (ev):
-9.6175 -9.6175 7.1426 7.1426 7.2265 7.2265 7.2512 7.2512
9.5000 9.5000 9.5576 9.5576 9.6369 9.6369 10.0804 10.0804
10.0873 10.0873 11.7906 11.7906 27.0054 27.0054
k = 0.0096-0.0057-0.0158 ( 727 PWs) bands (ev):
-9.6158 -9.6158 7.1361 7.1361 7.2144 7.2144 7.2424 7.2424
9.5023 9.5023 9.5603 9.5603 9.6396 9.6396 10.0853 10.0853
10.0955 10.0955 11.8036 11.8036 26.9731 26.9731
k = 0.0144-0.0085-0.0238 ( 727 PWs) bands (ev):
-9.6129 -9.6129 7.1248 7.1248 7.1916 7.1916 7.2311 7.2311
9.5061 9.5061 9.5647 9.5647 9.6442 9.6442 10.0919 10.0919
10.1107 10.1107 11.8251 11.8251 26.9209 26.9209
k = 0.0192-0.0114-0.0317 ( 731 PWs) bands (ev):
-9.6089 -9.6089 7.1084 7.1084 7.1585 7.1585 7.2184 7.2184
9.5109 9.5109 9.5708 9.5708 9.6506 9.6506 10.1001 10.1001
10.1322 10.1322 11.8549 11.8549 26.8509 26.8509
k = 0.0240-0.0142-0.0396 ( 731 PWs) bands (ev):
-9.6037 -9.6037 7.0844 7.0844 7.1187 7.1187 7.2038 7.2038
9.5167 9.5167 9.5787 9.5787 9.6589 9.6589 10.1104 10.1104
10.1596 10.1596 11.8930 11.8930 26.7654 26.7654
k = 0.0288-0.0170-0.0475 ( 731 PWs) bands (ev):
-9.5974 -9.5974 7.0451 7.0451 7.0810 7.0810 7.1873 7.1873
9.5232 9.5232 9.5881 9.5881 9.6692 9.6692 10.1222 10.1222
10.1925 10.1925 11.9389 11.9389 26.6667 26.6667
k = 0.0335-0.0199-0.0554 ( 733 PWs) bands (ev):
-9.5900 -9.5900 6.9887 6.9887 7.0486 7.0486 7.1689 7.1689
9.5303 9.5303 9.5988 9.5988 9.6813 9.6813 10.1354 10.1354
10.2306 10.2306 11.9924 11.9924 26.5573 26.5573
k = 0.0383-0.0227-0.0633 ( 733 PWs) bands (ev):
-9.5815 -9.5815 6.9222 6.9222 7.0156 7.0156 7.1487 7.1487
9.5378 9.5378 9.6107 9.6107 9.6954 9.6954 10.1499 10.1499
10.2735 10.2735 12.0531 12.0531 26.4390 26.4390
k = 0.0431-0.0256-0.0713 ( 733 PWs) bands (ev):
-9.5718 -9.5718 6.8488 6.8488 6.9801 6.9801 7.1268 7.1268
9.5458 9.5458 9.6236 9.6236 9.7113 9.7113 10.1652 10.1652
10.3207 10.3207 12.1206 12.1206 26.3135 26.3135
k = 0.0479-0.0284-0.0792 ( 735 PWs) bands (ev):
-9.5612 -9.5612 6.7699 6.7699 6.9418 6.9418 7.1030 7.1030
9.5542 9.5542 9.6373 9.6373 9.7290 9.7290 10.1812 10.1812
10.3718 10.3718 12.1943 12.1943 26.1824 26.1824
k = 0.0527-0.0312-0.0871 ( 733 PWs) bands (ev):
-9.5494 -9.5494 6.6864 6.6864 6.9010 6.9010 7.0775 7.0775
9.5631 9.5631 9.6518 9.6518 9.7486 9.7486 10.1978 10.1978
10.4266 10.4266 12.2739 12.2739 26.0468 26.0468
k = 0.0575-0.0341-0.0950 ( 733 PWs) bands (ev):
-9.5367 -9.5367 6.5990 6.5990 6.8581 6.8581 7.0503 7.0503
9.5724 9.5724 9.6670 9.6670 9.7696 9.7696 10.2149 10.2149
10.4846 10.4846 12.3588 12.3588 25.9078 25.9078
k = 0.0623-0.0369-0.1029 ( 733 PWs) bands (ev):
-9.5229 -9.5229 6.5085 6.5085 6.8132 6.8132 7.0215 7.0215
9.5823 9.5823 9.6827 9.6827 9.7920 9.7920 10.2322 10.2322
10.5454 10.5454 12.4485 12.4485 25.7663 25.7663
k = 0.0671-0.0398-0.1108 ( 733 PWs) bands (ev):
-9.5081 -9.5081 6.4154 6.4154 6.7668 6.7668 6.9910 6.9910
9.5926 9.5926 9.6992 9.6992 9.8157 9.8157 10.2497 10.2497
10.6088 10.6088 12.5426 12.5426 25.6231 25.6231
k = 0.0719-0.0426-0.1188 ( 729 PWs) bands (ev):
-9.4924 -9.4924 6.3204 6.3204 6.7191 6.7191 6.9589 6.9589
9.6034 9.6034 9.7162 9.7162 9.8408 9.8408 10.2676 10.2676
10.6743 10.6743 12.6406 12.6406 25.4786 25.4786
k = 0.0767-0.0455-0.1267 ( 727 PWs) bands (ev):
-9.4758 -9.4758 6.2237 6.2237 6.6704 6.6704 6.9253 6.9253
9.6148 9.6148 9.7340 9.7340 9.8669 9.8669 10.2855 10.2855
10.7416 10.7416 12.7421 12.7421 25.3335 25.3335
k = 0.0815-0.0483-0.1346 ( 727 PWs) bands (ev):
-9.4582 -9.4582 6.1259 6.1259 6.6210 6.6210 6.8902 6.8902
9.6266 9.6266 9.7521 9.7521 9.8938 9.8938 10.3036 10.3036
10.8104 10.8104 12.8466 12.8466 25.1883 25.1883
k = 0.0863-0.0511-0.1425 ( 727 PWs) bands (ev):
-9.4398 -9.4398 6.0274 6.0274 6.5711 6.5711 6.8537 6.8537
9.6389 9.6389 9.7708 9.7708 9.9217 9.9217 10.3219 10.3219
10.8804 10.8804 12.9538 12.9538 25.0432 25.0432
k = 0.0910-0.0540-0.1504 ( 725 PWs) bands (ev):
-9.4206 -9.4206 5.9286 5.9286 6.5209 6.5209 6.8159 6.8159
9.6517 9.6517 9.7901 9.7901 9.9503 9.9503 10.3405 10.3405
10.9514 10.9514 13.0633 13.0633 24.8986 24.8986
k = 0.0958-0.0568-0.1583 ( 727 PWs) bands (ev):
-9.4006 -9.4006 5.8296 5.8296 6.4706 6.4706 6.7769 6.7769
9.6650 9.6650 9.8097 9.8097 9.9794 9.9794 10.3592 10.3592
11.0231 11.0231 13.1748 13.1748 24.7549 24.7549
k = 0.1006-0.0597-0.1663 ( 735 PWs) bands (ev):
-9.3798 -9.3798 5.7308 5.7308 6.4202 6.4202 6.7366 6.7366
9.6787 9.6787 9.8296 9.8296 10.0089 10.0089 10.3782 10.3782
11.0952 11.0952 13.2879 13.2879 24.6122 24.6122
k = 0.1054-0.0625-0.1742 ( 731 PWs) bands (ev):
-9.3584 -9.3584 5.6326 5.6326 6.3702 6.3702 6.6952 6.6952
9.6929 9.6929 9.8503 9.8503 10.0391 10.0391 10.3976 10.3976
11.1677 11.1677 13.4026 13.4026 24.4709 24.4709
k = 0.1102-0.0653-0.1821 ( 733 PWs) bands (ev):
-9.3362 -9.3362 5.5351 5.5351 6.3205 6.3205 6.6528 6.6528
9.7076 9.7076 9.8711 9.8711 10.0694 10.0694 10.4174 10.4174
11.2401 11.2401 13.5184 13.5184 24.3309 24.3309
k = 0.1150-0.0682-0.1900 ( 737 PWs) bands (ev):
-9.3135 -9.3135 5.4385 5.4385 6.2713 6.2713 6.6093 6.6093
9.7227 9.7227 9.8923 9.8923 10.0997 10.0997 10.4376 10.4376
11.3123 11.3123 13.6353 13.6353 24.1926 24.1926
k = 0.1198-0.0710-0.1979 ( 743 PWs) bands (ev):
-9.2901 -9.2901 5.3431 5.3431 6.2227 6.2227 6.5650 6.5650
9.7382 9.7382 9.9137 9.9137 10.1299 10.1299 10.4582 10.4582
11.3840 11.3840 13.7529 13.7529 24.0561 24.0561
k = 0.1246-0.0739-0.2058 ( 747 PWs) bands (ev):
-9.2663 -9.2663 5.2491 5.2491 6.1748 6.1748 6.5198 6.5198
9.7541 9.7541 9.9353 9.9353 10.1601 10.1601 10.4793 10.4793
11.4552 11.4552 13.8712 13.8712 23.9215 23.9215
k = 0.1294-0.0767-0.2138 ( 746 PWs) bands (ev):
-9.2419 -9.2419 5.1566 5.1566 6.1278 6.1278 6.4739 6.4739
9.7705 9.7705 9.9573 9.9573 10.1900 10.1900 10.5009 10.5009
11.5256 11.5256 13.9900 13.9900 23.7890 23.7890
k = 0.1342-0.0795-0.2217 ( 746 PWs) bands (ev):
-9.2172 -9.2172 5.0659 5.0659 6.0817 6.0817 6.4273 6.4273
9.7872 9.7872 9.9796 9.9796 10.2193 10.2193 10.5232 10.5232
11.5951 11.5951 14.1092 14.1092 23.6585 23.6585
k = 0.1390-0.0824-0.2296 ( 740 PWs) bands (ev):
-9.1920 -9.1920 4.9770 4.9770 6.0366 6.0366 6.3801 6.3801
9.8045 9.8045 10.0021 10.0021 10.2480 10.2480 10.5460 10.5460
11.6637 11.6637 14.2287 14.2287 23.5303 23.5303
k = 0.1438-0.0852-0.2375 ( 740 PWs) bands (ev):
-9.1665 -9.1665 4.8902 4.8902 5.9925 5.9925 6.3323 6.3323
9.8221 9.8221 10.0245 10.0245 10.2760 10.2760 10.5692 10.5692
11.7306 11.7306 14.3485 14.3485 23.4043 23.4043
k = 0.1485-0.0881-0.2454 ( 742 PWs) bands (ev):
-9.1408 -9.1408 4.8055 4.8055 5.9496 5.9496 6.2839 6.2839
9.8398 9.8398 10.0471 10.0471 10.3030 10.3030 10.5929 10.5929
11.7960 11.7960 14.4683 14.4683 23.2807 23.2807
k = 0.1533-0.0909-0.2533 ( 742 PWs) bands (ev):
-9.1149 -9.1149 4.7231 4.7231 5.9078 5.9078 6.2351 6.2351
9.8580 9.8580 10.0697 10.0697 10.3291 10.3291 10.6171 10.6171
11.8598 11.8598 14.5883 14.5883 23.1596 23.1596
k = 0.1581-0.0937-0.2613 ( 740 PWs) bands (ev):
-9.0887 -9.0887 4.6432 4.6432 5.8673 5.8673 6.1860 6.1860
9.8764 9.8764 10.0925 10.0925 10.3542 10.3542 10.6416 10.6416
11.9218 11.9218 14.7083 14.7083 23.0408 23.0408
k = 0.1629-0.0966-0.2692 ( 740 PWs) bands (ev):
-9.0625 -9.0625 4.5658 4.5658 5.8281 5.8281 6.1365 6.1365
9.8951 9.8951 10.1152 10.1152 10.3782 10.3782 10.6663 10.6663
11.9817 11.9817 14.8284 14.8284 22.9247 22.9247
k = 0.1677-0.0994-0.2771 ( 744 PWs) bands (ev):
-9.0363 -9.0363 4.4912 4.4912 5.7901 5.7901 6.0867 6.0867
9.9138 9.9138 10.1378 10.1378 10.4011 10.4011 10.6910 10.6910
12.0394 12.0394 14.9485 14.9485 22.8110 22.8110
k = 0.1725-0.1023-0.2850 ( 742 PWs) bands (ev):
-9.0101 -9.0101 4.4193 4.4193 5.7536 5.7536 6.0368 6.0368
9.9330 9.9330 10.1604 10.1604 10.4229 10.4229 10.7157 10.7157
12.0948 12.0948 15.0687 15.0687 22.7000 22.7000
k = 0.1773-0.1051-0.2929 ( 742 PWs) bands (ev):
-8.9839 -8.9839 4.3503 4.3503 5.7185 5.7185 5.9867 5.9867
9.9524 9.9524 10.1829 10.1829 10.4435 10.4435 10.7402 10.7402
12.1478 12.1478 15.1890 15.1890 22.5915 22.5915
k = 0.1821-0.1079-0.3009 ( 740 PWs) bands (ev):
-8.9579 -8.9579 4.2843 4.2843 5.6848 5.6848 5.9366 5.9366
9.9720 9.9720 10.2053 10.2053 10.4630 10.4630 10.7643 10.7643
12.1981 12.1981 15.3093 15.3093 22.4858 22.4858
k = 0.1869-0.1108-0.3088 ( 740 PWs) bands (ev):
-8.9321 -8.9321 4.2214 4.2214 5.6526 5.6526 5.8863 5.8863
9.9918 9.9918 10.2275 10.2275 10.4812 10.4812 10.7879 10.7879
12.2457 12.2457 15.4297 15.4297 22.3827 22.3827
k = 0.1917-0.1136-0.3167 ( 738 PWs) bands (ev):
-8.9065 -8.9065 4.1617 4.1617 5.6218 5.6218 5.8361 5.8361
10.0118 10.0118 10.2495 10.2495 10.4983 10.4983 10.8108 10.8108
12.2904 12.2904 15.5504 15.5504 22.2823 22.2823
k = 0.1965-0.1165-0.3246 ( 736 PWs) bands (ev):
-8.8812 -8.8812 4.1053 4.1053 5.5926 5.5926 5.7860 5.7860
10.0319 10.0319 10.2713 10.2713 10.5142 10.5142 10.8328 10.8328
12.3322 12.3322 15.6712 15.6712 22.1846 22.1846
k = 0.2013-0.1193-0.3325 ( 736 PWs) bands (ev):
-8.8563 -8.8563 4.0522 4.0522 5.5649 5.5649 5.7360 5.7360
10.0521 10.0521 10.2927 10.2927 10.5288 10.5288 10.8540 10.8540
12.3707 12.3707 15.7923 15.7923 22.0896 22.0896
k = 0.2061-0.1222-0.3404 ( 738 PWs) bands (ev):
-8.8318 -8.8318 4.0025 4.0025 5.5387 5.5387 5.6861 5.6861
10.0724 10.0724 10.3138 10.3138 10.5420 10.5420 10.8741 10.8741
12.4060 12.4060 15.9136 15.9136 21.9973 21.9973
k = 0.2108-0.1250-0.3484 ( 740 PWs) bands (ev):
-8.8078 -8.8078 3.9563 3.9563 5.5140 5.5140 5.6365 5.6365
10.0927 10.0927 10.3345 10.3345 10.5539 10.5539 10.8931 10.8931
12.4380 12.4380 16.0354 16.0354 21.9076 21.9076
k = 0.2156-0.1278-0.3563 ( 740 PWs) bands (ev):
-8.7843 -8.7843 3.9138 3.9138 5.4907 5.4907 5.5873 5.5873
10.1131 10.1131 10.3549 10.3549 10.5643 10.5643 10.9110 10.9110
12.4665 12.4665 16.1576 16.1576 21.8207 21.8207
k = 0.2204-0.1307-0.3642 ( 740 PWs) bands (ev):
-8.7614 -8.7614 3.8748 3.8748 5.4687 5.4687 5.5388 5.5388
10.1335 10.1335 10.3748 10.3748 10.5733 10.5733 10.9278 10.9278
12.4916 12.4916 16.2803 16.2803 21.7366 21.7366
k = 0.2252-0.1335-0.3721 ( 740 PWs) bands (ev):
-8.7391 -8.7391 3.8396 3.8396 5.4470 5.4470 5.4918 5.4918
10.1539 10.1539 10.3941 10.3941 10.5806 10.5806 10.9435 10.9435
12.5130 12.5130 16.4036 16.4036 21.6550 21.6550
k = 0.2300-0.1364-0.3800 ( 740 PWs) bands (ev):
-8.7174 -8.7174 3.8080 3.8080 5.4218 5.4218 5.4503 5.4503
10.1743 10.1743 10.4128 10.4128 10.5864 10.5864 10.9582 10.9582
12.5308 12.5308 16.5275 16.5275 21.5762 21.5762
k = 0.2348-0.1392-0.3879 ( 740 PWs) bands (ev):
-8.6965 -8.6965 3.7803 3.7803 5.3837 5.3837 5.4237 5.4237
10.1946 10.1946 10.4306 10.4306 10.5904 10.5904 10.9718 10.9718
12.5449 12.5449 16.6520 16.6520 21.5000 21.5000
k = 0.2396-0.1420-0.3959 ( 740 PWs) bands (ev):
-8.6763 -8.6763 3.7564 3.7564 5.3384 5.3384 5.4063 5.4063
10.2150 10.2150 10.4474 10.4474 10.5929 10.5929 10.9844 10.9844
12.5553 12.5553 16.7773 16.7773 21.4264 21.4264
k = 0.2444-0.1449-0.4038 ( 742 PWs) bands (ev):
-8.6569 -8.6569 3.7363 3.7363 5.2919 5.2919 5.3923 5.3923
10.2352 10.2352 10.4629 10.4629 10.5940 10.5940 10.9961 10.9961
12.5619 12.5619 16.9033 16.9033 21.3554 21.3554
k = 0.2492-0.1477-0.4117 ( 740 PWs) bands (ev):
-8.6384 -8.6384 3.7201 3.7201 5.2454 5.2454 5.3804 5.3804
10.2553 10.2553 10.4765 10.4765 10.5941 10.5941 11.0072 11.0072
12.5648 12.5648 17.0302 17.0302 21.2870 21.2870
k = 0.2540-0.1506-0.4196 ( 742 PWs) bands (ev):
-8.6206 -8.6206 3.7078 3.7078 5.1991 5.1991 5.3703 5.3703
10.2753 10.2753 10.4870 10.4870 10.5940 10.5940 11.0175 11.0175
12.5640 12.5640 17.1578 17.1578 21.2210 21.2210
k = 0.2588-0.1534-0.4275 ( 738 PWs) bands (ev):
-8.6038 -8.6038 3.6994 3.6994 5.1533 5.1533 5.3621 5.3621
10.2951 10.2951 10.4935 10.4935 10.5950 10.5950 11.0273 11.0273
12.5596 12.5596 17.2864 17.2864 21.1572 21.1572
k = 0.2636-0.1562-0.4354 ( 738 PWs) bands (ev):
-8.5878 -8.5878 3.6950 3.6950 5.1079 5.1079 5.3554 5.3554
10.3148 10.3148 10.4943 10.4943 10.5982 10.5982 11.0365 11.0365
12.5514 12.5514 17.4158 17.4158 21.0955 21.0955
k = 0.2683-0.1591-0.4434 ( 738 PWs) bands (ev):
-8.5727 -8.5727 3.6945 3.6945 5.0631 5.0631 5.3505 5.3505
10.3343 10.3343 10.4887 10.4887 10.6043 10.6043 11.0453 11.0453
12.5395 12.5395 17.5462 17.5462 21.0349 21.0349
k = 0.2731-0.1619-0.4513 ( 740 PWs) bands (ev):
-8.5586 -8.5586 3.6978 3.6978 5.0189 5.0189 5.3471 5.3471
10.3535 10.3535 10.4772 10.4772 10.6131 10.6131 11.0536 11.0536
12.5241 12.5241 17.6774 17.6774 20.9712 20.9712
k = 0.2779-0.1648-0.4592 ( 738 PWs) bands (ev):
-8.5454 -8.5454 3.7051 3.7051 4.9754 4.9754 5.3453 5.3453
10.3724 10.3724 10.4606 10.4606 10.6237 10.6237 11.0617 11.0617
12.5052 12.5052 17.8096 17.8096 20.8862 20.8862
k = 0.2827-0.1676-0.4671 ( 736 PWs) bands (ev):
-8.5332 -8.5332 3.7162 3.7162 4.9324 4.9324 5.3451 5.3451
10.3906 10.3906 10.4402 10.4402 10.6354 10.6354 11.0693 11.0693
12.4830 12.4830 17.9426 17.9426 20.7786 20.7786
k = 0.2875-0.1704-0.4750 ( 736 PWs) bands (ev):
-8.5219 -8.5219 3.7312 3.7312 4.8902 4.8902 5.3465 5.3465
10.4035 10.4035 10.4210 10.4210 10.6475 10.6475 11.0767 11.0767
12.4573 12.4573 18.0765 18.0765 20.6668 20.6668
k = 0.2923-0.1733-0.4829 ( 736 PWs) bands (ev):
-8.5116 -8.5116 3.7500 3.7500 4.8486 4.8486 5.3495 5.3495
10.3836 10.3836 10.4309 10.4309 10.6597 10.6597 11.0836 11.0836
12.4285 12.4285 18.2111 18.2111 20.5552 20.5552
k = 0.2971-0.1761-0.4909 ( 732 PWs) bands (ev):
-8.5021 -8.5021 3.7725 3.7725 4.8077 4.8077 5.3540 5.3540
10.3529 10.3529 10.4482 10.4482 10.6720 10.6720 11.0902 11.0902
12.3967 12.3967 18.3466 18.3466 20.4449 20.4449
k = 0.3019-0.1790-0.4988 ( 732 PWs) bands (ev):
-8.4937 -8.4937 3.7988 3.7988 4.7676 4.7676 5.3600 5.3600
10.3188 10.3188 10.4658 10.4658 10.6840 10.6840 11.0964 11.0964
12.3619 12.3619 18.4826 18.4826 20.3359 20.3359
k = 0.3067-0.1818-0.5067 ( 734 PWs) bands (ev):
-8.4861 -8.4861 3.8286 3.8286 4.7282 4.7282 5.3673 5.3673
10.2820 10.2820 10.4831 10.4831 10.6957 10.6957 11.1021 11.1021
12.3241 12.3241 18.6192 18.6192 20.2285 20.2285
k = 0.3115-0.1846-0.5146 ( 730 PWs) bands (ev):
-8.4794 -8.4794 3.8621 3.8621 4.6896 4.6896 5.3762 5.3762
10.2427 10.2427 10.5003 10.5003 10.7073 10.7073 11.1075 11.1075
12.2839 12.2839 18.7562 18.7562 20.1226 20.1226
k = 0.3163-0.1875-0.5225 ( 730 PWs) bands (ev):
-8.4736 -8.4736 3.8991 3.8991 4.6519 4.6519 5.3864 5.3864
10.2011 10.2011 10.5170 10.5170 10.7183 10.7183 11.1123 11.1123
12.2410 12.2410 18.8934 18.8934 20.0184 20.0184
k = 0.3211-0.1903-0.5304 ( 730 PWs) bands (ev):
-8.4686 -8.4686 3.9395 3.9395 4.6149 4.6149 5.3980 5.3980
10.1574 10.1574 10.5335 10.5335 10.7289 10.7289 11.1166 11.1166
12.1958 12.1958 19.0302 19.0302 19.9162 19.9162
k = 0.3259-0.1932-0.5384 ( 730 PWs) bands (ev):
-8.4645 -8.4645 3.9832 3.9832 4.5787 4.5787 5.4108 5.4108
10.1117 10.1117 10.5496 10.5496 10.7392 10.7392 11.1203 11.1203
12.1484 12.1484 19.1658 19.1658 19.8169 19.8169
k = 0.3306-0.1960-0.5463 ( 730 PWs) bands (ev):
-8.4612 -8.4612 4.0302 4.0302 4.5434 4.5434 5.4250 5.4250
10.0642 10.0642 10.5652 10.5652 10.7490 10.7490 11.1234 11.1234
12.0990 12.0990 19.2969 19.2969 19.7235 19.7235
k = 0.3354-0.1988-0.5542 ( 732 PWs) bands (ev):
-8.4586 -8.4586 4.0803 4.0803 4.5089 4.5089 5.4404 5.4404
10.0151 10.0151 10.5804 10.5804 10.7583 10.7583 11.1259 11.1259
12.0477 12.0477 19.4099 19.4099 19.6496 19.6496
k = 0.3402-0.2017-0.5621 ( 732 PWs) bands (ev):
-8.4567 -8.4567 4.1334 4.1334 4.4753 4.4753 5.4569 5.4569
9.9646 9.9646 10.5953 10.5953 10.7673 10.7673 11.1278 11.1278
11.9947 11.9947 19.4387 19.4387 19.6611 19.6611
k = 0.3450-0.2045-0.5700 ( 732 PWs) bands (ev):
-8.4555 -8.4555 4.1894 4.1894 4.4426 4.4426 5.4746 5.4746
9.9128 9.9128 10.6098 10.6098 10.7759 10.7759 11.1290 11.1290
11.9403 11.9403 19.3728 19.3728 19.7683 19.7683
k = 0.3498-0.2074-0.5780 ( 732 PWs) bands (ev):
-8.4550 -8.4550 4.2481 4.2481 4.4108 4.4108 5.4933 5.4933
9.8598 9.8598 10.6238 10.6238 10.7841 10.7841 11.1295 11.1295
11.8845 11.8845 19.2849 19.2849 19.8986 19.8986
k = 0.3546-0.2102-0.5859 ( 732 PWs) bands (ev):
-8.4551 -8.4551 4.3095 4.3095 4.3799 4.3799 5.5131 5.5131
9.8058 9.8058 10.6374 10.6374 10.7919 10.7919 11.1294 11.1294
11.8276 11.8276 19.1927 19.1927 20.0341 20.0341
k = 0.3594-0.2131-0.5938 ( 734 PWs) bands (ev):
-8.4557 -8.4557 4.3498 4.3498 4.3735 4.3735 5.5338 5.5338
9.7507 9.7507 10.6505 10.6505 10.7993 10.7993 11.1284 11.1284
11.7698 11.7698 19.0997 19.0997 20.1709 20.1709
k = 0.3642-0.2159-0.6017 ( 734 PWs) bands (ev):
-8.4568 -8.4568 4.3208 4.3208 4.4396 4.4396 5.5553 5.5553
9.6950 9.6950 10.6631 10.6631 10.8063 10.8063 11.1268 11.1268
11.7112 11.7112 19.0069 19.0069 20.3031 20.3031
k = 0.3690-0.2187-0.6096 ( 732 PWs) bands (ev):
-8.4585 -8.4585 4.2926 4.2926 4.5080 4.5080 5.5777 5.5777
9.6387 9.6387 10.6752 10.6752 10.8131 10.8131 11.1246 11.1246
11.6521 11.6521 18.9151 18.9151 20.3102 20.3102
k = 0.3738-0.2216-0.6175 ( 732 PWs) bands (ev):
-8.4605 -8.4605 4.2654 4.2654 4.5784 4.5784 5.6008 5.6008
9.5818 9.5818 10.6868 10.6868 10.8194 10.8194 11.1216 11.1216
11.5927 11.5927 18.8243 18.8243 20.2943 20.2943
k = 0.6262 0.0633-0.4171 ( 732 PWs) bands (ev):
-8.4605 -8.4605 4.2654 4.2654 4.5784 4.5784 5.6008 5.6008
9.5818 9.5818 10.6868 10.6868 10.8194 10.8194 11.1216 11.1216
11.5927 11.5927 18.8243 18.8243 20.2943 20.2943
k = 0.6216 0.0715-0.4171 ( 732 PWs) bands (ev):
-8.4629 -8.4629 4.2398 4.2398 4.6488 4.6488 5.6239 5.6239
9.5259 9.5259 10.6976 10.6976 10.8252 10.8252 11.1180 11.1180
11.5345 11.5345 18.7370 18.7370 20.2795 20.2795
k = 0.6169 0.0797-0.4171 ( 736 PWs) bands (ev):
-8.4656 -8.4656 4.2150 4.2150 4.7208 4.7208 5.6475 5.6475
9.4696 9.4696 10.7078 10.7078 10.8306 10.8306 11.1137 11.1137
11.4764 11.4764 18.6512 18.6512 20.2656 20.2656
k = 0.6122 0.0879-0.4171 ( 736 PWs) bands (ev):
-8.4685 -8.4685 4.1913 4.1913 4.7941 4.7941 5.6716 5.6716
9.4132 9.4132 10.7176 10.7176 10.8358 10.8358 11.1089 11.1089
11.4185 11.4185 18.5669 18.5669 20.2528 20.2528
k = 0.6075 0.0961-0.4171 ( 738 PWs) bands (ev):
-8.4717 -8.4717 4.1684 4.1684 4.8687 4.8687 5.6960 5.6960
9.3564 9.3564 10.7268 10.7268 10.8407 10.8407 11.1034 11.1034
11.3611 11.3611 18.4844 18.4844 20.2409 20.2409
k = 0.6029 0.1043-0.4171 ( 740 PWs) bands (ev):
-8.4752 -8.4752 4.1464 4.1464 4.9441 4.9441 5.7207 5.7207
9.2998 9.2998 10.7354 10.7354 10.8451 10.8451 11.0974 11.0974
11.3044 11.3044 18.4038 18.4038 20.2299 20.2299
k = 0.5982 0.1125-0.4171 ( 740 PWs) bands (ev):
-8.4787 -8.4787 4.1254 4.1254 5.0204 5.0204 5.7455 5.7455
9.2433 9.2433 10.7435 10.7435 10.8493 10.8493 11.0909 11.0909
11.2486 11.2486 18.3252 18.3252 20.2197 20.2197
k = 0.5935 0.1207-0.4171 ( 738 PWs) bands (ev):
-8.4824 -8.4824 4.1054 4.1054 5.0972 5.0972 5.7704 5.7704
9.1871 9.1871 10.7509 10.7509 10.8530 10.8530 11.0840 11.0840
11.1941 11.1941 18.2489 18.2489 20.2104 20.2104
k = 0.5888 0.1289-0.4171 ( 740 PWs) bands (ev):
-8.4862 -8.4862 4.0863 4.0863 5.1741 5.1741 5.7952 5.7952
9.1310 9.1310 10.7578 10.7578 10.8562 10.8562 11.0765 11.0765
11.1411 11.1411 18.1749 18.1749 20.2019 20.2019
k = 0.5842 0.1371-0.4171 ( 738 PWs) bands (ev):
-8.4900 -8.4900 4.0681 4.0681 5.2512 5.2512 5.8199 5.8199
9.0754 9.0754 10.7640 10.7640 10.8586 10.8586 11.0679 11.0679
11.0909 11.0909 18.1035 18.1035 20.1941 20.1941
k = 0.5795 0.1453-0.4171 ( 738 PWs) bands (ev):
-8.4939 -8.4939 4.0509 4.0509 5.3279 5.3279 5.8443 5.8443
9.0203 9.0203 10.7696 10.7696 10.8599 10.8599 11.0390 11.0390
11.0632 11.0632 18.0349 18.0349 20.1869 20.1869
k = 0.5748 0.1535-0.4171 ( 736 PWs) bands (ev):
-8.4977 -8.4977 4.0347 4.0347 5.4040 5.4040 5.8683 5.8683
8.9659 8.9659 10.7744 10.7744 10.8591 10.8591 10.9949 10.9949
11.0544 11.0544 17.9690 17.9690 20.1804 20.1804
k = 0.5701 0.1618-0.4171 ( 738 PWs) bands (ev):
-8.5014 -8.5014 4.0194 4.0194 5.4792 5.4792 5.8916 5.8916
8.9123 8.9123 10.7785 10.7785 10.8538 10.8538 10.9563 10.9563
11.0462 11.0462 17.9063 17.9063 20.1745 20.1745
k = 0.5655 0.1700-0.4171 ( 736 PWs) bands (ev):
-8.5051 -8.5051 4.0051 4.0051 5.5531 5.5531 5.9144 5.9144
8.8597 8.8597 10.7815 10.7815 10.8402 10.8402 10.9283 10.9283
11.0383 11.0383 17.8467 17.8467 20.1692 20.1692
k = 0.5608 0.1782-0.4171 ( 734 PWs) bands (ev):
-8.5086 -8.5086 3.9918 3.9918 5.6253 5.6253 5.9363 5.9363
8.8084 8.8084 10.7819 10.7819 10.8173 10.8173 10.9136 10.9136
11.0305 11.0305 17.7905 17.7905 20.1644 20.1644
k = 0.5561 0.1864-0.4171 ( 734 PWs) bands (ev):
-8.5120 -8.5120 3.9794 3.9794 5.6954 5.6954 5.9574 5.9574
8.7584 8.7584 10.7703 10.7703 10.7992 10.7992 10.9078 10.9078
11.0230 11.0230 17.7378 17.7378 20.1600 20.1600
k = 0.5514 0.1946-0.4171 ( 732 PWs) bands (ev):
-8.5152 -8.5152 3.9681 3.9681 5.7629 5.7629 5.9775 5.9775
8.7102 8.7102 10.7413 10.7413 10.7961 10.7961 10.9061 10.9061
11.0158 11.0158 17.6887 17.6887 20.1562 20.1562
k = 0.5468 0.2028-0.4171 ( 730 PWs) bands (ev):
-8.5182 -8.5182 3.9577 3.9577 5.8272 5.8272 5.9965 5.9965
8.6640 8.6640 10.7091 10.7091 10.7965 10.7965 10.9062 10.9062
11.0090 11.0090 17.6434 17.6434 20.1527 20.1527
k = 0.5421 0.2110-0.4171 ( 732 PWs) bands (ev):
-8.5210 -8.5210 3.9482 3.9482 5.8878 5.8878 6.0145 6.0145
8.6200 8.6200 10.6781 10.6781 10.7973 10.7973 10.9069 10.9069
11.0026 11.0026 17.6020 17.6020 20.1497 20.1497
k = 0.5374 0.2192-0.4171 ( 732 PWs) bands (ev):
-8.5236 -8.5236 3.9398 3.9398 5.9436 5.9436 6.0316 6.0316
8.5788 8.5788 10.6492 10.6492 10.7979 10.7979 10.9081 10.9081
10.9969 10.9969 17.5647 17.5647 20.1470 20.1470
k = 0.5327 0.2274-0.4171 ( 736 PWs) bands (ev):
-8.5259 -8.5259 3.9324 3.9324 5.9932 5.9932 6.0488 6.0488
8.5407 8.5407 10.6230 10.6230 10.7982 10.7982 10.9093 10.9093
10.9916 10.9916 17.5315 17.5315 20.1447 20.1447
k = 0.5281 0.2356-0.4171 ( 736 PWs) bands (ev):
-8.5279 -8.5279 3.9259 3.9259 6.0323 6.0323 6.0695 6.0695
8.5064 8.5064 10.5999 10.5999 10.7984 10.7984 10.9105 10.9105
10.9871 10.9871 17.5025 17.5025 20.1428 20.1428
k = 0.5234 0.2438-0.4171 ( 736 PWs) bands (ev):
-8.5297 -8.5297 3.9205 3.9205 6.0554 6.0554 6.0986 6.0986
8.4762 8.4762 10.5801 10.5801 10.7985 10.7985 10.9116 10.9116
10.9832 10.9832 17.4778 17.4778 20.1412 20.1412
k = 0.5187 0.2520-0.4171 ( 736 PWs) bands (ev):
-8.5311 -8.5311 3.9160 3.9160 6.0683 6.0683 6.1294 6.1294
8.4507 8.4507 10.5637 10.5637 10.7984 10.7984 10.9126 10.9126
10.9801 10.9801 17.4576 17.4576 20.1399 20.1399
k = 0.5140 0.2602-0.4171 ( 736 PWs) bands (ev):
-8.5323 -8.5323 3.9125 3.9125 6.0770 6.0770 6.1556 6.1556
8.4302 8.4302 10.5508 10.5508 10.7983 10.7983 10.9134 10.9134
10.9776 10.9776 17.4417 17.4417 20.1389 20.1389
k = 0.5094 0.2684-0.4171 ( 738 PWs) bands (ev):
-8.5331 -8.5331 3.9100 3.9100 6.0828 6.0828 6.1750 6.1750
8.4152 8.4152 10.5415 10.5415 10.7982 10.7982 10.9140 10.9140
10.9758 10.9758 17.4304 17.4304 20.1381 20.1381
k = 0.5047 0.2766-0.4171 ( 740 PWs) bands (ev):
-8.5336 -8.5336 3.9086 3.9086 6.0862 6.0862 6.1869 6.1869
8.4060 8.4060 10.5359 10.5359 10.7981 10.7981 10.9143 10.9143
10.9747 10.9747 17.4236 17.4236 20.1377 20.1377
k = 0.5000 0.2848-0.4171 ( 740 PWs) bands (ev):
-8.5337 -8.5337 3.9081 3.9081 6.0873 6.0873 6.1909 6.1909
8.4030 8.4030 10.5340 10.5340 10.7980 10.7980 10.9144 10.9144
10.9744 10.9744 17.4213 17.4213 20.1376 20.1376
k = 0.5000 0.2848-0.4171 ( 740 PWs) bands (ev):
-8.5337 -8.5337 3.9081 3.9081 6.0873 6.0873 6.1909 6.1909
8.4030 8.4030 10.5340 10.5340 10.7980 10.7980 10.9144 10.9144
10.9744 10.9744 17.4213 17.4213 20.1376 20.1376
k = 0.5049 0.2876-0.4094 ( 740 PWs) bands (ev):
-8.5336 -8.5336 3.9086 3.9086 6.0834 6.0834 6.1897 6.1897
8.4060 8.4060 10.5359 10.5359 10.7981 10.7981 10.9143 10.9143
10.9747 10.9747 17.4237 17.4237 20.1377 20.1377
k = 0.5097 0.2904-0.4017 ( 741 PWs) bands (ev):
-8.5331 -8.5331 3.9101 3.9101 6.0717 6.0717 6.1862 6.1862
8.4148 8.4148 10.5417 10.5417 10.7982 10.7982 10.9139 10.9139
10.9757 10.9757 17.4308 17.4308 20.1380 20.1380
k = 0.5146 0.2931-0.3940 ( 742 PWs) bands (ev):
-8.5324 -8.5324 3.9126 3.9126 6.0522 6.0522 6.1804 6.1804
8.4295 8.4295 10.5512 10.5512 10.7984 10.7984 10.9133 10.9133
10.9775 10.9775 17.4426 17.4426 20.1385 20.1385
k = 0.5194 0.2959-0.3863 ( 742 PWs) bands (ev):
-8.5313 -8.5313 3.9161 3.9161 6.0254 6.0254 6.1725 6.1725
8.4497 8.4497 10.5645 10.5645 10.7986 10.7986 10.9126 10.9126
10.9799 10.9799 17.4590 17.4590 20.1393 20.1393
k = 0.5243 0.2987-0.3786 ( 744 PWs) bands (ev):
-8.5300 -8.5300 3.9206 3.9206 5.9916 5.9916 6.1627 6.1627
8.4747 8.4747 10.5814 10.5814 10.7988 10.7988 10.9116 10.9116
10.9830 10.9830 17.4801 17.4801 20.1403 20.1403
k = 0.5291 0.3014-0.3709 ( 742 PWs) bands (ev):
-8.5284 -8.5284 3.9260 3.9260 5.9513 5.9513 6.1510 6.1510
8.5046 8.5046 10.6018 10.6018 10.7989 10.7989 10.9105 10.9105
10.9868 10.9868 17.5058 17.5058 20.1416 20.1416
k = 0.5340 0.3042-0.3632 ( 744 PWs) bands (ev):
-8.5265 -8.5265 3.9325 3.9325 5.9050 5.9050 6.1375 6.1375
8.5384 8.5384 10.6255 10.6255 10.7989 10.7989 10.9093 10.9093
10.9912 10.9912 17.5360 17.5360 20.1431 20.1431
k = 0.5388 0.3070-0.3554 ( 744 PWs) bands (ev):
-8.5243 -8.5243 3.9400 3.9400 5.8535 5.8535 6.1224 6.1224
8.5760 8.5760 10.6524 10.6524 10.7988 10.7988 10.9080 10.9080
10.9963 10.9963 17.5706 17.5706 20.1449 20.1449
k = 0.5437 0.3097-0.3477 ( 741 PWs) bands (ev):
-8.5220 -8.5220 3.9485 3.9485 5.7973 5.7973 6.1057 6.1057
8.6168 8.6168 10.6820 10.6820 10.7985 10.7985 10.9069 10.9069
11.0021 11.0021 17.6095 17.6095 20.1470 20.1470
k = 0.5486 0.3125-0.3400 ( 739 PWs) bands (ev):
-8.5194 -8.5194 3.9580 3.9580 5.7370 5.7370 6.0875 6.0875
8.6603 8.6603 10.7139 10.7139 10.7982 10.7982 10.9062 10.9062
11.0083 11.0083 17.6526 17.6526 20.1494 20.1494
k = 0.5534 0.3153-0.3323 ( 737 PWs) bands (ev):
-8.5166 -8.5166 3.9685 3.9685 5.6731 5.6731 6.0680 6.0680
8.7062 8.7062 10.7465 10.7465 10.7985 10.7985 10.9063 10.9063
11.0150 11.0150 17.6998 17.6998 20.1522 20.1522
k = 0.5583 0.3180-0.3246 ( 737 PWs) bands (ev):
-8.5137 -8.5137 3.9799 3.9799 5.6063 5.6063 6.0473 6.0473
8.7541 8.7541 10.7746 10.7746 10.8034 10.8034 10.9083 10.9083
11.0221 11.0221 17.7509 17.7509 20.1553 20.1553
k = 0.5631 0.3208-0.3169 ( 733 PWs) bands (ev):
-8.5106 -8.5106 3.9924 3.9924 5.5369 5.5369 6.0256 6.0256
8.8037 8.8037 10.7844 10.7844 10.8239 10.8239 10.9151 10.9151
11.0296 11.0296 17.8059 17.8059 20.1588 20.1588
k = 0.5680 0.3236-0.3092 ( 733 PWs) bands (ev):
-8.5073 -8.5073 4.0058 4.0058 5.4655 5.4655 6.0029 6.0029
8.8547 8.8547 10.7840 10.7840 10.8459 10.8459 10.9321 10.9321
11.0372 11.0372 17.8646 17.8646 20.1628 20.1628
k = 0.5728 0.3263-0.3015 ( 735 PWs) bands (ev):
-8.5040 -8.5040 4.0202 4.0202 5.3925 5.3925 5.9794 5.9794
8.9068 8.9068 10.7813 10.7813 10.8579 10.8579 10.9628 10.9628
11.0449 11.0449 17.9268 17.9268 20.1671 20.1671
k = 0.5777 0.3291-0.2938 ( 734 PWs) bands (ev):
-8.5007 -8.5007 4.0356 4.0356 5.3182 5.3182 5.9553 5.9553
8.9599 8.9599 10.7775 10.7775 10.8621 10.8621 11.0036 11.0036
11.0527 11.0527 17.9923 17.9923 20.1719 20.1719
k = 0.5825 0.3319-0.2861 ( 734 PWs) bands (ev):
-8.4973 -8.4973 4.0519 4.0519 5.2431 5.2431 5.9306 5.9306
9.0138 9.0138 10.7729 10.7729 10.8626 10.8626 11.0489 11.0489
11.0617 11.0617 18.0611 18.0611 20.1772 20.1772
k = 0.5874 0.3346-0.2784 ( 734 PWs) bands (ev):
-8.4939 -8.4939 4.0693 4.0693 5.1675 5.1675 5.9056 5.9056
9.0682 9.0682 10.7676 10.7676 10.8613 10.8613 11.0669 11.0669
11.1012 11.1012 18.1329 18.1329 20.1830 20.1830
k = 0.5922 0.3374-0.2706 ( 731 PWs) bands (ev):
-8.4906 -8.4906 4.0875 4.0875 5.0916 5.0916 5.8803 5.8803
9.1233 9.1233 10.7616 10.7616 10.8590 10.8590 11.0744 11.0744
11.1533 11.1533 18.2075 18.2075 20.1892 20.1892
k = 0.5971 0.3402-0.2629 ( 731 PWs) bands (ev):
-8.4873 -8.4873 4.1068 4.1068 5.0158 5.0158 5.8548 5.8548
9.1786 9.1786 10.7548 10.7548 10.8561 10.8561 11.0814 11.0814
11.2073 11.2073 18.2848 18.2848 20.1959 20.1959
k = 0.6020 0.3429-0.2552 ( 733 PWs) bands (ev):
-8.4842 -8.4842 4.1270 4.1270 4.9404 4.9404 5.8292 5.8292
9.2341 9.2341 10.7475 10.7475 10.8527 10.8527 11.0879 11.0879
11.2626 11.2626 18.3647 18.3647 20.2031 20.2031
k = 0.6068 0.3457-0.2475 ( 733 PWs) bands (ev):
-8.4812 -8.4812 4.1482 4.1482 4.8655 4.8655 5.8038 5.8038
9.2897 9.2897 10.7395 10.7395 10.8490 10.8490 11.0940 11.0940
11.3191 11.3191 18.4469 18.4469 20.2105 20.2105
k = 0.6117 0.3485-0.2398 ( 733 PWs) bands (ev):
-8.4784 -8.4784 4.1703 4.1703 4.7915 4.7915 5.7786 5.7786
9.3454 9.3454 10.7309 10.7309 10.8450 10.8450 11.0995 11.0995
11.3764 11.3764 18.5313 18.5313 20.2180 20.2180
k = 0.6165 0.3512-0.2321 ( 733 PWs) bands (ev):
-8.4758 -8.4758 4.1933 4.1933 4.7186 4.7186 5.7537 5.7537
9.4010 9.4010 10.7217 10.7217 10.8406 10.8406 11.1045 11.1045
11.4343 11.4343 18.6177 18.6177 20.2251 20.2251
k = 0.6214 0.3540-0.2244 ( 731 PWs) bands (ev):
-8.4735 -8.4735 4.2172 4.2172 4.6470 4.6470 5.7292 5.7292
9.4564 9.4564 10.7119 10.7119 10.8360 10.8360 11.1088 11.1088
11.4925 11.4925 18.7060 18.7060 20.2309 20.2309
k = 0.6262 0.3568-0.2167 ( 729 PWs) bands (ev):
-8.4715 -8.4715 4.2421 4.2421 4.5769 4.5769 5.7051 5.7051
9.5116 9.5116 10.7016 10.7016 10.8311 10.8311 11.1126 11.1126
11.5509 11.5509 18.7960 18.7960 20.2329 20.2329
k = 0.6262 0.3568-0.2167 ( 729 PWs) bands (ev):
-8.4715 -8.4715 4.2421 4.2421 4.5769 4.5769 5.7051 5.7051
9.5116 9.5116 10.7016 10.7016 10.8311 10.8311 11.1126 11.1126
11.5509 11.5509 18.7960 18.7960 20.2329 20.2329
k = 0.6235 0.3552-0.2076 ( 729 PWs) bands (ev):
-8.4711 -8.4711 4.2570 4.2570 4.5377 4.5377 5.6921 5.6921
9.5439 9.5439 10.6942 10.6942 10.8265 10.8265 11.1144 11.1144
11.5845 11.5845 18.8421 18.8421 20.2738 20.2738
k = 0.6207 0.3536-0.1986 ( 729 PWs) bands (ev):
-8.4711 -8.4711 4.2623 4.2623 4.5086 4.5086 5.6793 5.6793
9.5763 9.5763 10.6868 10.6868 10.8215 10.8215 11.1186 11.1186
11.6181 11.6181 18.8843 18.8843 20.3133 20.3133
k = 0.6180 0.3521-0.1895 ( 727 PWs) bands (ev):
-8.4714 -8.4714 4.2530 4.2530 4.4943 4.4943 5.6667 5.6667
9.6088 9.6088 10.6794 10.6794 10.8160 10.8160 11.1254 11.1254
11.6516 11.6516 18.9221 18.9221 20.3048 20.3048
k = 0.6153 0.3505-0.1804 ( 727 PWs) bands (ev):
-8.4721 -8.4721 4.2283 4.2283 4.4958 4.4958 5.6544 5.6544
9.6415 9.6415 10.6718 10.6718 10.8100 10.8100 11.1348 11.1348
11.6849 11.6849 18.9551 18.9551 20.2188 20.2188
k = 0.6125 0.3489-0.1714 ( 727 PWs) bands (ev):
-8.4731 -8.4731 4.1917 4.1917 4.5095 4.5095 5.6422 5.6422
9.6740 9.6740 10.6643 10.6643 10.8036 10.8036 11.1469 11.1469
11.7181 11.7181 18.9824 18.9824 20.1189 20.1189
k = 0.6098 0.3474-0.1623 ( 727 PWs) bands (ev):
-8.4745 -8.4745 4.1479 4.1479 4.5307 4.5307 5.6303 5.6303
9.7064 9.7064 10.6569 10.6569 10.7969 10.7969 11.1617 11.1617
11.7510 11.7510 19.0031 19.0031 20.0186 20.0186
k = 0.6070 0.3458-0.1532 ( 727 PWs) bands (ev):
-8.4761 -8.4761 4.1001 4.1001 4.5562 4.5562 5.6185 5.6185
9.7387 9.7387 10.6494 10.6494 10.7899 10.7899 11.1791 11.1791
11.7838 11.7838 19.0157 19.0157 19.9218 19.9218
k = 0.6043 0.3443-0.1441 ( 727 PWs) bands (ev):
-8.4780 -8.4780 4.0499 4.0499 4.5843 4.5843 5.6070 5.6070
9.7709 9.7709 10.6421 10.6421 10.7828 10.7828 11.1990 11.1990
11.8163 11.8163 19.0179 19.0179 19.8314 19.8314
k = 0.6015 0.3427-0.1351 ( 727 PWs) bands (ev):
-8.4802 -8.4802 3.9985 3.9985 4.6140 4.6140 5.5957 5.5957
9.8029 9.8029 10.6350 10.6350 10.7758 10.7758 11.2213 11.2213
11.8484 11.8484 19.0068 19.0068 19.7511 19.7511
k = 0.5988 0.3411-0.1260 ( 723 PWs) bands (ev):
-8.4826 -8.4826 3.9464 3.9464 4.6447 4.6447 5.5847 5.5847
9.8347 9.8347 10.6280 10.6280 10.7689 10.7689 11.2461 11.2461
11.8803 11.8803 18.9793 18.9793 19.6843 19.6843
k = 0.5960 0.3396-0.1169 ( 722 PWs) bands (ev):
-8.4851 -8.4851 3.8941 3.8941 4.6759 4.6759 5.5738 5.5738
9.8661 9.8661 10.6212 10.6212 10.7621 10.7621 11.2731 11.2731
11.9119 11.9119 18.9332 18.9332 19.6337 19.6337
k = 0.5933 0.3380-0.1079 ( 723 PWs) bands (ev):
-8.4879 -8.4879 3.8418 3.8418 4.7075 4.7075 5.5631 5.5631
9.8972 9.8972 10.6145 10.6145 10.7555 10.7555 11.3021 11.3021
11.9430 11.9430 18.8683 18.8683 19.5997 19.5997
k = 0.5906 0.3364-0.0988 ( 725 PWs) bands (ev):
-8.4908 -8.4908 3.7897 3.7897 4.7391 4.7391 5.5526 5.5526
9.9279 9.9279 10.6081 10.6081 10.7493 10.7493 11.3332 11.3332
11.9737 11.9737 18.7870 18.7870 19.5805 19.5805
k = 0.5878 0.3349-0.0897 ( 725 PWs) bands (ev):
-8.4939 -8.4939 3.7380 3.7380 4.7707 4.7707 5.5424 5.5424
9.9582 9.9582 10.6019 10.6019 10.7434 10.7434 11.3663 11.3663
12.0040 12.0040 18.6928 18.6928 19.5727 19.5727
k = 0.5851 0.3333-0.0807 ( 725 PWs) bands (ev):
-8.4971 -8.4971 3.6868 3.6868 4.8021 4.8021 5.5324 5.5324
9.9881 9.9881 10.5960 10.5960 10.7381 10.7381 11.4013 11.4013
12.0338 12.0338 18.5893 18.5893 19.5731 19.5731
k = 0.5823 0.3317-0.0716 ( 729 PWs) bands (ev):
-8.5004 -8.5004 3.6363 3.6363 4.8333 4.8333 5.5225 5.5225
10.0176 10.0176 10.5902 10.5902 10.7332 10.7332 11.4379 11.4379
12.0630 12.0630 18.4791 18.4791 19.5793 19.5793
k = 0.5796 0.3302-0.0625 ( 727 PWs) bands (ev):
-8.5038 -8.5038 3.5866 3.5866 4.8641 4.8641 5.5130 5.5130
10.0465 10.0465 10.5848 10.5848 10.7289 10.7289 11.4762 11.4762
12.0919 12.0919 18.3644 18.3644 19.5895 19.5895
k = 0.5768 0.3286-0.0535 ( 725 PWs) bands (ev):
-8.5073 -8.5073 3.5377 3.5377 4.8945 4.8945 5.5037 5.5037
10.0750 10.0750 10.5797 10.5797 10.7251 10.7251 11.5161 11.5161
12.1202 12.1202 18.2466 18.2466 19.6025 19.6025
k = 0.5741 0.3271-0.0444 ( 731 PWs) bands (ev):
-8.5108 -8.5108 3.4898 3.4898 4.9242 4.9242 5.4945 5.4945
10.1029 10.1029 10.5746 10.5746 10.7217 10.7217 11.5572 11.5572
12.1478 12.1478 18.1269 18.1269 19.6173 19.6173
k = 0.5713 0.3255-0.0353 ( 729 PWs) bands (ev):
-8.5143 -8.5143 3.4429 3.4429 4.9535 4.9535 5.4857 5.4857
10.1302 10.1302 10.5701 10.5701 10.7192 10.7192 11.5996 11.5996
12.1749 12.1749 18.0060 18.0060 19.6333 19.6333
k = 0.5686 0.3239-0.0263 ( 729 PWs) bands (ev):
-8.5178 -8.5178 3.3971 3.3971 4.9821 4.9821 5.4771 5.4771
10.1569 10.1569 10.5657 10.5657 10.7171 10.7171 11.6432 11.6432
12.2013 12.2013 17.8846 17.8846 19.6502 19.6502
k = 0.5659 0.3224-0.0172 ( 729 PWs) bands (ev):
-8.5213 -8.5213 3.3525 3.3525 5.0099 5.0099 5.4688 5.4688
10.1830 10.1830 10.5617 10.5617 10.7156 10.7156 11.6879 11.6879
12.2270 12.2270 17.7633 17.7633 19.6677 19.6677
k = 0.5631 0.3208-0.0081 ( 731 PWs) bands (ev):
-8.5248 -8.5248 3.3092 3.3092 5.0370 5.0370 5.4607 5.4607
10.2083 10.2083 10.5579 10.5579 10.7146 10.7146 11.7334 11.7334
12.2519 12.2519 17.6424 17.6424 19.6854 19.6854
k = 0.5604 0.3192 0.0009 ( 731 PWs) bands (ev):
-8.5283 -8.5283 3.2673 3.2673 5.0633 5.0633 5.4529 5.4529
10.2330 10.2330 10.5543 10.5543 10.7142 10.7142 11.7797 11.7797
12.2762 12.2762 17.5224 17.5224 19.7033 19.7033
k = 0.5576 0.3177 0.0100 ( 731 PWs) bands (ev):
-8.5317 -8.5317 3.2267 3.2267 5.0887 5.0887 5.4454 5.4454
10.2570 10.2570 10.5510 10.5510 10.7144 10.7144 11.8267 11.8267
12.2997 12.2997 17.4036 17.4036 19.7211 19.7211
k = 0.5549 0.3161 0.0191 ( 737 PWs) bands (ev):
-8.5351 -8.5351 3.1876 3.1876 5.1131 5.1131 5.4381 5.4381
10.2800 10.2800 10.5479 10.5479 10.7149 10.7149 11.8740 11.8740
12.3223 12.3223 17.2864 17.2864 19.7388 19.7388
k = 0.5521 0.3146 0.0281 ( 737 PWs) bands (ev):
-8.5384 -8.5384 3.1501 3.1501 5.1366 5.1366 5.4311 5.4311
10.3023 10.3023 10.5451 10.5451 10.7160 10.7160 11.9217 11.9217
12.3442 12.3442 17.1712 17.1712 19.7561 19.7561
k = 0.5494 0.3130 0.0372 ( 735 PWs) bands (ev):
-8.5415 -8.5415 3.1141 3.1141 5.1591 5.1591 5.4245 5.4245
10.3239 10.3239 10.5426 10.5426 10.7176 10.7176 11.9697 11.9697
12.3651 12.3651 17.0582 17.0582 19.7731 19.7731
k = 0.5467 0.3114 0.0463 ( 735 PWs) bands (ev):
-8.5446 -8.5446 3.0798 3.0798 5.1805 5.1805 5.4181 5.4181
10.3445 10.3445 10.5402 10.5402 10.7196 10.7196 12.0175 12.0175
12.3851 12.3851 16.9478 16.9478 19.7897 19.7897
k = 0.5439 0.3099 0.0553 ( 739 PWs) bands (ev):
-8.5476 -8.5476 3.0471 3.0471 5.2008 5.2008 5.4120 5.4120
10.3641 10.3641 10.5380 10.5380 10.7218 10.7218 12.0652 12.0652
12.4041 12.4041 16.8403 16.8403 19.8057 19.8057
k = 0.5412 0.3083 0.0644 ( 739 PWs) bands (ev):
-8.5504 -8.5504 3.0162 3.0162 5.2201 5.2201 5.4063 5.4063
10.3828 10.3828 10.5360 10.5360 10.7244 10.7244 12.1123 12.1123
12.4223 12.4223 16.7362 16.7362 19.8211 19.8211
k = 0.5384 0.3067 0.0735 ( 739 PWs) bands (ev):
-8.5531 -8.5531 2.9871 2.9871 5.2383 5.2383 5.4009 5.4009
10.4004 10.4004 10.5342 10.5342 10.7272 10.7272 12.1588 12.1588
12.4394 12.4394 16.6356 16.6356 19.8358 19.8358
k = 0.5357 0.3052 0.0825 ( 739 PWs) bands (ev):
-8.5557 -8.5557 2.9598 2.9598 5.2553 5.2553 5.3959 5.3959
10.4170 10.4170 10.5326 10.5326 10.7303 10.7303 12.2044 12.2044
12.4555 12.4555 16.5392 16.5392 19.8497 19.8497
k = 0.5329 0.3036 0.0916 ( 739 PWs) bands (ev):
-8.5581 -8.5581 2.9344 2.9344 5.2711 5.2711 5.3912 5.3912
10.4324 10.4324 10.5312 10.5312 10.7335 10.7335 12.2488 12.2488
12.4706 12.4706 16.4471 16.4471 19.8629 19.8629
k = 0.5302 0.3020 0.1007 ( 739 PWs) bands (ev):
-8.5603 -8.5603 2.9109 2.9109 5.2857 5.2857 5.3869 5.3869
10.4467 10.4467 10.5299 10.5299 10.7367 10.7367 12.2916 12.2916
12.4845 12.4845 16.3599 16.3599 19.8752 19.8752
k = 0.5274 0.3005 0.1097 ( 737 PWs) bands (ev):
-8.5624 -8.5624 2.8893 2.8893 5.2991 5.2991 5.3829 5.3829
10.4598 10.4598 10.5288 10.5288 10.7400 10.7400 12.3326 12.3326
12.4974 12.4974 16.2781 16.2781 19.8867 19.8867
k = 0.5247 0.2989 0.1188 ( 738 PWs) bands (ev):
-8.5643 -8.5643 2.8697 2.8697 5.3113 5.3113 5.3793 5.3793
10.4717 10.4717 10.5278 10.5278 10.7432 10.7432 12.3713 12.3713
12.5090 12.5090 16.2020 16.2020 19.8972 19.8972
k = 0.5220 0.2974 0.1279 ( 739 PWs) bands (ev):
-8.5660 -8.5660 2.8521 2.8521 5.3222 5.3222 5.3760 5.3760
10.4823 10.4823 10.5271 10.5271 10.7463 10.7463 12.4075 12.4075
12.5195 12.5195 16.1321 16.1321 19.9066 19.9066
k = 0.5192 0.2958 0.1370 ( 739 PWs) bands (ev):
-8.5675 -8.5675 2.8365 2.8365 5.3318 5.3318 5.3731 5.3731
10.4915 10.4915 10.5266 10.5266 10.7493 10.7493 12.4405 12.4405
12.5290 12.5290 16.0689 16.0689 19.9152 19.9152
k = 0.5165 0.2942 0.1460 ( 737 PWs) bands (ev):
-8.5688 -8.5688 2.8229 2.8229 5.3402 5.3402 5.3706 5.3706
10.4995 10.4995 10.5263 10.5263 10.7520 10.7520 12.4703 12.4703
12.5372 12.5372 16.0130 16.0130 19.9226 19.9226
k = 0.5137 0.2927 0.1551 ( 739 PWs) bands (ev):
-8.5700 -8.5700 2.8114 2.8114 5.3472 5.3472 5.3686 5.3686
10.5060 10.5060 10.5262 10.5262 10.7544 10.7544 12.4961 12.4961
12.5443 12.5443 15.9647 15.9647 19.9289 19.9289
k = 0.5110 0.2911 0.1642 ( 739 PWs) bands (ev):
-8.5709 -8.5709 2.8019 2.8019 5.3530 5.3530 5.3669 5.3669
10.5110 10.5110 10.5264 10.5264 10.7564 10.7564 12.5177 12.5177
12.5503 12.5503 15.9245 15.9245 19.9341 19.9341
k = 0.5082 0.2895 0.1732 ( 738 PWs) bands (ev):
-8.5716 -8.5716 2.7946 2.7946 5.3574 5.3574 5.3657 5.3657
10.5144 10.5144 10.5271 10.5271 10.7581 10.7581 12.5345 12.5345
12.5554 12.5554 15.8928 15.8928 19.9382 19.9382
k = 0.5055 0.2880 0.1823 ( 738 PWs) bands (ev):
-8.5722 -8.5722 2.7893 2.7893 5.3602 5.3602 5.3651 5.3651
10.5165 10.5165 10.5280 10.5280 10.7593 10.7593 12.5460 12.5460
12.5598 12.5598 15.8699 15.8699 19.9411 19.9411
k = 0.5027 0.2864 0.1914 ( 730 PWs) bands (ev):
-8.5725 -8.5725 2.7862 2.7862 5.3616 5.3616 5.3652 5.3652
10.5177 10.5177 10.5289 10.5289 10.7602 10.7602 12.5521 12.5521
12.5636 12.5636 15.8560 15.8560 19.9429 19.9429
k = 0.5000 0.2848 0.2004 ( 730 PWs) bands (ev):
-8.5726 -8.5726 2.7851 2.7851 5.3619 5.3619 5.3654 5.3654
10.5180 10.5180 10.5292 10.5292 10.7604 10.7604 12.5538 12.5538
12.5651 12.5651 15.8514 15.8514 19.9434 19.9434
k = 0.5000-0.2964-0.2086 ( 742 PWs) bands (ev):
-8.5320 -8.5320 2.8262 2.8262 5.2383 5.2383 5.3247 5.3247
10.5111 10.5111 10.5827 10.5827 10.8133 10.8133 12.5761 12.5761
12.6083 12.6083 15.7472 15.7472 20.1739 20.1739
k = 0.5056-0.2901-0.2041 ( 743 PWs) bands (ev):
-8.5319 -8.5319 2.8273 2.8273 5.2376 5.2376 5.3250 5.3250
10.5103 10.5103 10.5827 10.5827 10.8131 10.8131 12.5754 12.5754
12.6056 12.6056 15.7519 15.7519 20.1732 20.1732
k = 0.5112-0.2837-0.1996 ( 743 PWs) bands (ev):
-8.5317 -8.5317 2.8304 2.8304 5.2360 5.2360 5.3257 5.3257
10.5081 10.5081 10.5828 10.5828 10.8125 10.8125 12.5730 12.5730
12.5979 12.5979 15.7659 15.7659 20.1713 20.1713
k = 0.5168-0.2774-0.1952 ( 741 PWs) bands (ev):
-8.5313 -8.5313 2.8356 2.8356 5.2332 5.2332 5.3268 5.3268
10.5045 10.5045 10.5830 10.5830 10.8116 10.8116 12.5684 12.5684
12.5858 12.5858 15.7891 15.7891 20.1681 20.1681
k = 0.5224-0.2711-0.1907 ( 739 PWs) bands (ev):
-8.5308 -8.5308 2.8429 2.8429 5.2293 5.2293 5.3284 5.3284
10.4995 10.4995 10.5832 10.5832 10.8104 10.8104 12.5589 12.5589
12.5724 12.5724 15.8213 15.8213 20.1636 20.1636
k = 0.5281-0.2648-0.1863 ( 739 PWs) bands (ev):
-8.5301 -8.5301 2.8522 2.8522 5.2243 5.2243 5.3304 5.3304
10.4930 10.4930 10.5834 10.5834 10.8089 10.8089 12.5396 12.5396
12.5627 12.5627 15.8620 15.8620 20.1579 20.1579
k = 0.5337-0.2584-0.1818 ( 741 PWs) bands (ev):
-8.5292 -8.5292 2.8636 2.8636 5.2182 5.2182 5.3329 5.3329
10.4851 10.4851 10.5837 10.5837 10.8070 10.8070 12.5133 12.5133
12.5543 12.5543 15.9109 15.9109 20.1509 20.1509
k = 0.5393-0.2521-0.1774 ( 739 PWs) bands (ev):
-8.5283 -8.5283 2.8770 2.8770 5.2110 5.2110 5.3358 5.3358
10.4759 10.4759 10.5840 10.5840 10.8049 10.8049 12.4826 12.4826
12.5452 12.5452 15.9674 15.9674 20.1428 20.1428
k = 0.5449-0.2458-0.1729 ( 735 PWs) bands (ev):
-8.5271 -8.5271 2.8924 2.8924 5.2027 5.2027 5.3392 5.3392
10.4654 10.4654 10.5844 10.5844 10.8027 10.8027 12.4482 12.4482
12.5351 12.5351 16.0312 16.0312 20.1334 20.1334
k = 0.5505-0.2394-0.1685 ( 735 PWs) bands (ev):
-8.5259 -8.5259 2.9099 2.9099 5.1933 5.1933 5.3430 5.3430
10.4535 10.4535 10.5849 10.5849 10.8002 10.8002 12.4107 12.4107
12.5236 12.5236 16.1017 16.1017 20.1228 20.1228
k = 0.5561-0.2331-0.1640 ( 739 PWs) bands (ev):
-8.5245 -8.5245 2.9292 2.9292 5.1828 5.1828 5.3472 5.3472
10.4402 10.4402 10.5854 10.5854 10.7975 10.7975 12.3703 12.3703
12.5110 12.5110 16.1784 16.1784 20.1111 20.1111
k = 0.5617-0.2268-0.1596 ( 741 PWs) bands (ev):
-8.5230 -8.5230 2.9506 2.9506 5.1712 5.1712 5.3519 5.3519
10.4258 10.4258 10.5860 10.5860 10.7947 10.7947 12.3278 12.3278
12.4972 12.4972 16.2608 16.2608 20.0982 20.0982
k = 0.5673-0.2204-0.1551 ( 741 PWs) bands (ev):
-8.5214 -8.5214 2.9738 2.9738 5.1586 5.1586 5.3569 5.3569
10.4102 10.4102 10.5867 10.5867 10.7918 10.7918 12.2834 12.2834
12.4822 12.4822 16.3485 16.3485 20.0842 20.0842
k = 0.5729-0.2141-0.1507 ( 741 PWs) bands (ev):
-8.5196 -8.5196 2.9989 2.9989 5.1450 5.1450 5.3624 5.3624
10.3935 10.3935 10.5876 10.5876 10.7890 10.7890 12.2375 12.2375
12.4660 12.4660 16.4411 16.4411 20.0692 20.0692
k = 0.5785-0.2078-0.1462 ( 740 PWs) bands (ev):
-8.5178 -8.5178 3.0259 3.0259 5.1304 5.1304 5.3682 5.3682
10.3757 10.3757 10.5886 10.5886 10.7862 10.7862 12.1904 12.1904
12.4488 12.4488 16.5380 16.5380 20.0531 20.0531
k = 0.5842-0.2015-0.1417 ( 738 PWs) bands (ev):
-8.5158 -8.5158 3.0547 3.0547 5.1148 5.1148 5.3745 5.3745
10.3569 10.3569 10.5897 10.5897 10.7835 10.7835 12.1425 12.1425
12.4304 12.4304 16.6390 16.6390 20.0360 20.0360
k = 0.5898-0.1951-0.1373 ( 738 PWs) bands (ev):
-8.5138 -8.5138 3.0852 3.0852 5.0981 5.0981 5.3811 5.3811
10.3371 10.3371 10.5910 10.5910 10.7809 10.7809 12.0937 12.0937
12.4110 12.4110 16.7436 16.7436 20.0179 20.0179
k = 0.5954-0.1888-0.1328 ( 736 PWs) bands (ev):
-8.5116 -8.5116 3.1175 3.1175 5.0805 5.0805 5.3882 5.3882
10.3164 10.3164 10.5924 10.5924 10.7785 10.7785 12.0446 12.0446
12.3906 12.3906 16.8516 16.8516 19.9989 19.9989
k = 0.6010-0.1825-0.1284 ( 738 PWs) bands (ev):
-8.5094 -8.5094 3.1514 3.1514 5.0619 5.0619 5.3956 5.3956
10.2947 10.2947 10.5939 10.5939 10.7761 10.7761 11.9952 11.9952
12.3692 12.3692 16.9624 16.9624 19.9790 19.9790
k = 0.6066-0.1761-0.1239 ( 738 PWs) bands (ev):
-8.5072 -8.5072 3.1870 3.1870 5.0424 5.0424 5.4033 5.4033
10.2723 10.2723 10.5956 10.5956 10.7741 10.7741 11.9458 11.9458
12.3468 12.3468 17.0760 17.0760 19.9582 19.9582
k = 0.6122-0.1698-0.1195 ( 738 PWs) bands (ev):
-8.5049 -8.5049 3.2241 3.2241 5.0220 5.0220 5.4114 5.4114
10.2491 10.2491 10.5975 10.5975 10.7724 10.7724 11.8966 11.8966
12.3235 12.3235 17.1918 17.1918 19.9366 19.9366
k = 0.6178-0.1635-0.1150 ( 736 PWs) bands (ev):
-8.5025 -8.5025 3.2628 3.2628 5.0008 5.0008 5.4200 5.4200
10.2251 10.2251 10.5995 10.5995 10.7710 10.7710 11.8477 11.8477
12.2993 12.2993 17.3097 17.3097 19.9141 19.9141
k = 0.6234-0.1571-0.1106 ( 738 PWs) bands (ev):
-8.5001 -8.5001 3.3029 3.3029 4.9788 4.9788 5.4288 5.4288
10.2004 10.2004 10.6016 10.6016 10.7700 10.7700 11.7993 11.7993
12.2743 12.2743 17.4293 17.4293 19.8909 19.8909
k = 0.6290-0.1508-0.1061 ( 736 PWs) bands (ev):
-8.4977 -8.4977 3.3444 3.3444 4.9560 4.9560 5.4379 5.4379
10.1751 10.1751 10.6040 10.6040 10.7694 10.7694 11.7517 11.7517
12.2485 12.2485 17.5503 17.5503 19.8669 19.8669
k = 0.6346-0.1445-0.1017 ( 736 PWs) bands (ev):
-8.4953 -8.4953 3.3872 3.3872 4.9324 4.9324 5.4473 5.4473
10.1491 10.1491 10.6067 10.6067 10.7692 10.7692 11.7048 11.7048
12.2219 12.2219 17.6725 17.6725 19.8422 19.8422
k = 0.6403-0.1382-0.0972 ( 738 PWs) bands (ev):
-8.4929 -8.4929 3.4313 3.4313 4.9081 4.9081 5.4570 5.4570
10.1225 10.1225 10.6094 10.6094 10.7694 10.7694 11.6587 11.6587
12.1944 12.1944 17.7955 17.7955 19.8169 19.8169
k = 0.6459-0.1318-0.0928 ( 736 PWs) bands (ev):
-8.4905 -8.4905 3.4765 3.4765 4.8832 4.8832 5.4671 5.4671
10.0954 10.0954 10.6125 10.6125 10.7701 10.7701 11.6138 11.6138
12.1664 12.1664 17.9190 17.9190 19.7911 19.7911
k = 0.6515-0.1255-0.0883 ( 734 PWs) bands (ev):
-8.4882 -8.4882 3.5229 3.5229 4.8577 4.8577 5.4774 5.4774
10.0678 10.0678 10.6158 10.6158 10.7713 10.7713 11.5700 11.5700
12.1378 12.1378 18.0425 18.0425 19.7648 19.7648
k = 0.6571-0.1192-0.0838 ( 734 PWs) bands (ev):
-8.4859 -8.4859 3.5703 3.5703 4.8317 4.8317 5.4881 5.4881
10.0396 10.0396 10.6192 10.6192 10.7729 10.7729 11.5275 11.5275
12.1085 12.1085 18.1657 18.1657 19.7382 19.7382
k = 0.6627-0.1128-0.0794 ( 732 PWs) bands (ev):
-8.4837 -8.4837 3.6186 3.6186 4.8051 4.8051 5.4989 5.4989
10.0111 10.0111 10.6230 10.6230 10.7750 10.7750 11.4864 11.4864
12.0786 12.0786 18.2880 18.2880 19.7116 19.7116
k = 0.6683-0.1065-0.0749 ( 735 PWs) bands (ev):
-8.4815 -8.4815 3.6677 3.6677 4.7782 4.7782 5.5100 5.5100
9.9819 9.9819 10.6269 10.6269 10.7774 10.7774 11.4469 11.4469
12.0482 12.0482 18.4087 18.4087 19.6852 19.6852
k = 0.6739-0.1002-0.0705 ( 733 PWs) bands (ev):
-8.4795 -8.4795 3.7175 3.7175 4.7510 4.7510 5.5214 5.5214
9.9525 9.9525 10.6310 10.6310 10.7803 10.7803 11.4090 11.4090
12.0173 12.0173 18.5269 18.5269 19.6600 19.6600
k = 0.6795-0.0938-0.0660 ( 733 PWs) bands (ev):
-8.4776 -8.4776 3.7679 3.7679 4.7237 4.7237 5.5331 5.5331
9.9225 9.9225 10.6352 10.6352 10.7836 10.7836 11.3729 11.3729
11.9859 11.9859 18.6412 18.6412 19.6366 19.6366
k = 0.6851-0.0875-0.0616 ( 733 PWs) bands (ev):
-8.4758 -8.4758 3.8188 3.8188 4.6962 4.6962 5.5450 5.5450
9.8922 9.8922 10.6397 10.6397 10.7873 10.7873 11.3387 11.3387
11.9541 11.9541 18.7496 18.7496 19.6169 19.6169
k = 0.6907-0.0812-0.0571 ( 733 PWs) bands (ev):
-8.4742 -8.4742 3.8700 3.8700 4.6688 4.6688 5.5572 5.5572
9.8615 9.8615 10.6444 10.6444 10.7912 10.7912 11.3065 11.3065
11.9218 11.9218 18.8490 18.8490 19.6036 19.6036
k = 0.6964-0.0749-0.0527 ( 726 PWs) bands (ev):
-8.4727 -8.4727 3.9212 3.9212 4.6417 4.6417 5.5696 5.5696
9.8306 9.8306 10.6492 10.6492 10.7955 10.7955 11.2766 11.2766
11.8894 11.8894 18.9349 18.9349 19.6008 19.6008
k = 0.7020-0.0685-0.0482 ( 724 PWs) bands (ev):
-8.4714 -8.4714 3.9722 3.9722 4.6150 4.6150 5.5822 5.5822
9.7993 9.7993 10.6543 10.6543 10.7999 10.7999 11.2488 11.2488
11.8565 11.8565 19.0014 19.0014 19.6140 19.6140
k = 0.7076-0.0622-0.0438 ( 724 PWs) bands (ev):
-8.4704 -8.4704 4.0226 4.0226 4.5893 4.5893 5.5951 5.5951
9.7678 9.7678 10.6594 10.6594 10.8043 10.8043 11.2232 11.2232
11.8233 11.8233 19.0432 19.0432 19.6481 19.6481
k = 0.7132-0.0559-0.0393 ( 724 PWs) bands (ev):
-8.4695 -8.4695 4.0719 4.0719 4.5650 4.5650 5.6081 5.6081
9.7361 9.7361 10.6646 10.6646 10.8087 10.8087 11.2001 11.2001
11.7898 11.7898 19.0591 19.0591 19.7036 19.7036
k = 0.7188-0.0495-0.0349 ( 727 PWs) bands (ev):
-8.4689 -8.4689 4.1191 4.1191 4.5431 4.5431 5.6214 5.6214
9.7041 9.7041 10.6698 10.6698 10.8129 10.8129 11.1796 11.1796
11.7560 11.7560 19.0529 19.0529 19.7762 19.7762
k = 0.7244-0.0432-0.0304 ( 730 PWs) bands (ev):
-8.4686 -8.4686 4.1627 4.1627 4.5249 4.5249 5.6348 5.6348
9.6719 9.6719 10.6751 10.6751 10.8169 10.8169 11.1617 11.1617
11.7221 11.7221 19.0303 19.0303 19.8595 19.8595
k = 0.7300-0.0369-0.0259 ( 730 PWs) bands (ev):
-8.4686 -8.4686 4.2006 4.2006 4.5128 4.5128 5.6485 5.6485
9.6398 9.6398 10.6804 10.6804 10.8206 10.8206 11.1464 11.1464
11.6880 11.6880 18.9960 18.9960 19.9474 19.9474
k = 0.7356-0.0305-0.0215 ( 730 PWs) bands (ev):
-8.4688 -8.4688 4.2294 4.2294 4.5100 4.5100 5.6623 5.6623
9.6077 9.6077 10.6858 10.6858 10.8239 10.8239 11.1339 11.1339
11.6538 11.6538 18.9536 18.9536 20.0344 20.0344
k = 0.7412-0.0242-0.0170 ( 730 PWs) bands (ev):
-8.4694 -8.4694 4.2458 4.2458 4.5198 4.5198 5.6764 5.6764
9.5756 9.5756 10.6911 10.6911 10.8267 10.8267 11.1242 11.1242
11.6195 11.6195 18.9052 18.9052 20.1151 20.1151
k = 0.7469-0.0179-0.0126 ( 729 PWs) bands (ev):
-8.4703 -8.4703 4.2492 4.2492 4.5429 4.5429 5.6907 5.6907
9.5436 9.5436 10.6964 10.6964 10.8292 10.8292 11.1171 11.1171
11.5852 11.5852 18.8523 18.8523 20.1832 20.1832
k = 0.7525-0.0116-0.0081 ( 729 PWs) bands (ev):
-8.4715 -8.4715 4.2421 4.2421 4.5769 4.5769 5.7051 5.7051
9.5116 9.5116 10.7016 10.7016 10.8311 10.8311 11.1126 11.1126
11.5509 11.5509 18.7960 18.7960 20.2329 20.2329
Writing output data file FeO.save
init_run : 0.21s CPU 0.52s WALL ( 1 calls)
electrons : 45.17s CPU 46.01s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.02s WALL ( 1 calls)
potinit : 0.03s CPU 0.05s WALL ( 1 calls)
Called by electrons:
c_bands : 45.17s CPU 46.00s 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 : 0.03s CPU 0.04s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.00s CPU 0.01s WALL ( 463 calls)
cegterg : 41.54s CPU 42.20s WALL ( 601 calls)
Called by sum_band:
Called by *egterg:
h_psi : 24.61s CPU 28.33s WALL ( 9570 calls)
s_psi : 1.54s CPU 1.67s WALL ( 9570 calls)
g_psi : 0.04s CPU 0.04s WALL ( 8506 calls)
cdiaghg : 11.70s CPU 11.78s WALL ( 8969 calls)
cegterg:over : 1.47s CPU 1.46s WALL ( 8506 calls)
cegterg:upda : 0.26s CPU 0.28s WALL ( 8506 calls)
cegterg:last : 0.19s CPU 0.20s WALL ( 1797 calls)
Called by h_psi:
h_psi:vloc : 22.77s CPU 26.31s WALL ( 9570 calls)
h_psi:vnl : 1.82s CPU 1.99s WALL ( 9570 calls)
add_vuspsi : 0.81s CPU 0.98s WALL ( 9570 calls)
General routines
calbec : 1.00s CPU 0.99s WALL ( 9570 calls)
fft : 0.02s CPU 0.05s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 22.11s CPU 25.25s WALL ( 502712 calls)
interpolate : 0.01s CPU 0.01s WALL ( 4 calls)
davcio : 0.01s CPU 0.04s WALL ( 926 calls)
Parallel routines
fft_scatter : 17.40s CPU 18.86s WALL ( 502735 calls)
PWSCF : 0m57.30s CPU 1m 1.30s WALL
This run was terminated on: 13:32:49 27Jul2015
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=