Program PWSCF v.5.1.1 starts on 12Oct2015 at 5:14:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 39 22 6 879 380 59 Max 40 23 7 882 394 63 Sum 1893 1095 319 42241 18555 2927 bravais-lattice index = 14 lattice parameter (alat) = 8.5617 a.u. unit-cell volume = 425.6564 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.561664 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.537400 celldm(5)= -0.537400 celldm(6)= 0.074800 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.074800 0.997199 0.000000 ) a(3) = ( -0.537400 -0.498599 0.680147 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.075010 0.735135 ) b(2) = ( 0.000000 1.002809 0.735135 ) b(3) = ( 0.000000 0.000000 1.470270 ) 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 379 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0000000 0.0000000 0.0144144), wk = 0.0026385 k( 3) = ( 0.0000000 0.0000000 0.0288288), wk = 0.0026385 k( 4) = ( 0.0000000 0.0000000 0.0432432), wk = 0.0026385 k( 5) = ( 0.0000000 0.0000000 0.0576577), wk = 0.0026385 k( 6) = ( 0.0000000 0.0000000 0.0720721), wk = 0.0026385 k( 7) = ( 0.0000000 0.0000000 0.0864865), wk = 0.0026385 k( 8) = ( 0.0000000 0.0000000 0.1009009), wk = 0.0026385 k( 9) = ( 0.0000000 0.0000000 0.1153153), wk = 0.0026385 k( 10) = ( 0.0000000 0.0000000 0.1297297), wk = 0.0026385 k( 11) = ( 0.0000000 0.0000000 0.1441441), wk = 0.0026385 k( 12) = ( 0.0000000 0.0000000 0.1585585), wk = 0.0026385 k( 13) = ( 0.0000000 0.0000000 0.1729729), wk = 0.0026385 k( 14) = ( 0.0000000 0.0000000 0.1873874), wk = 0.0026385 k( 15) = ( 0.0000000 0.0000000 0.2018018), wk = 0.0026385 k( 16) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0026385 k( 17) = ( 0.0000000 0.0000000 0.2306306), wk = 0.0026385 k( 18) = ( 0.0000000 0.0000000 0.2450450), wk = 0.0026385 k( 19) = ( 0.0000000 0.0000000 0.2594594), wk = 0.0026385 k( 20) = ( 0.0000000 0.0000000 0.2738738), wk = 0.0026385 k( 21) = ( 0.0000000 0.0000000 0.2882882), wk = 0.0026385 k( 22) = ( 0.0000000 0.0000000 0.3027026), wk = 0.0026385 k( 23) = ( 0.0000000 0.0000000 0.3171170), wk = 0.0026385 k( 24) = ( 0.0000000 0.0000000 0.3315315), wk = 0.0026385 k( 25) = ( 0.0000000 0.0000000 0.3459459), wk = 0.0026385 k( 26) = ( 0.0000000 0.0000000 0.3603603), wk = 0.0026385 k( 27) = ( 0.0000000 0.0000000 0.3747747), wk = 0.0026385 k( 28) = ( 0.0000000 0.0000000 0.3891891), wk = 0.0026385 k( 29) = ( 0.0000000 0.0000000 0.4036035), wk = 0.0026385 k( 30) = ( 0.0000000 0.0000000 0.4180179), wk = 0.0026385 k( 31) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0026385 k( 32) = ( 0.0000000 0.0000000 0.4468468), wk = 0.0026385 k( 33) = ( 0.0000000 0.0000000 0.4612612), wk = 0.0026385 k( 34) = ( 0.0000000 0.0000000 0.4756756), wk = 0.0026385 k( 35) = ( 0.0000000 0.0000000 0.4900900), wk = 0.0026385 k( 36) = ( 0.0000000 0.0000000 0.5045044), wk = 0.0026385 k( 37) = ( 0.0000000 0.0000000 0.5189188), wk = 0.0026385 k( 38) = ( 0.0000000 0.0000000 0.5333332), wk = 0.0026385 k( 39) = ( 0.0000000 0.0000000 0.5477476), wk = 0.0026385 k( 40) = ( 0.0000000 0.0000000 0.5621621), wk = 0.0026385 k( 41) = ( 0.0000000 0.0000000 0.5765765), wk = 0.0026385 k( 42) = ( 0.0000000 0.0000000 0.5909909), wk = 0.0026385 k( 43) = ( 0.0000000 0.0000000 0.6054053), wk = 0.0026385 k( 44) = ( 0.0000000 0.0000000 0.6198197), wk = 0.0026385 k( 45) = ( 0.0000000 0.0000000 0.6342341), wk = 0.0026385 k( 46) = ( 0.0000000 0.0000000 0.6486485), wk = 0.0026385 k( 47) = ( 0.0000000 0.0000000 0.6630629), wk = 0.0026385 k( 48) = ( 0.0000000 0.0000000 0.6774773), wk = 0.0026385 k( 49) = ( 0.0000000 0.0000000 0.6918918), wk = 0.0026385 k( 50) = ( 0.0000000 0.0000000 0.7063062), wk = 0.0026385 k( 51) = ( 0.0000000 0.0000000 0.7207206), wk = 0.0026385 k( 52) = ( 0.0000000 0.0000000 0.7351350), wk = 0.0026385 k( 53) = ( 0.0000000 0.0000000 0.7351350), wk = 0.0026385 k( 54) = ( -0.0097819 0.0105432 0.7351350), wk = 0.0026385 k( 55) = ( -0.0195639 0.0210864 0.7351350), wk = 0.0026385 k( 56) = ( -0.0293459 0.0316295 0.7351350), wk = 0.0026385 k( 57) = ( -0.0391278 0.0421727 0.7351350), wk = 0.0026385 k( 58) = ( -0.0489098 0.0527159 0.7351350), wk = 0.0026385 k( 59) = ( -0.0586917 0.0632591 0.7351350), wk = 0.0026385 k( 60) = ( -0.0684737 0.0738022 0.7351350), wk = 0.0026385 k( 61) = ( -0.0782556 0.0843454 0.7351350), wk = 0.0026385 k( 62) = ( -0.0880376 0.0948886 0.7351350), wk = 0.0026385 k( 63) = ( -0.0978196 0.1054318 0.7351350), wk = 0.0026385 k( 64) = ( -0.1076015 0.1159749 0.7351350), wk = 0.0026385 k( 65) = ( -0.1173835 0.1265181 0.7351350), wk = 0.0026385 k( 66) = ( -0.1271654 0.1370613 0.7351350), wk = 0.0026385 k( 67) = ( -0.1369474 0.1476045 0.7351350), wk = 0.0026385 k( 68) = ( -0.1467293 0.1581477 0.7351350), wk = 0.0026385 k( 69) = ( -0.1565113 0.1686908 0.7351350), wk = 0.0026385 k( 70) = ( -0.1662932 0.1792340 0.7351350), wk = 0.0026385 k( 71) = ( -0.1760752 0.1897772 0.7351350), wk = 0.0026385 k( 72) = ( -0.1858571 0.2003204 0.7351350), wk = 0.0026385 k( 73) = ( -0.1956391 0.2108635 0.7351350), wk = 0.0026385 k( 74) = ( -0.2054210 0.2214067 0.7351350), wk = 0.0026385 k( 75) = ( -0.2152030 0.2319499 0.7351350), wk = 0.0026385 k( 76) = ( -0.2152030 0.2319499 0.7351350), wk = 0.0026385 k( 77) = ( -0.2219839 0.2392584 0.7251653), wk = 0.0026385 k( 78) = ( -0.2287648 0.2465670 0.7151955), wk = 0.0026385 k( 79) = ( -0.2355456 0.2538756 0.7052258), wk = 0.0026385 k( 80) = ( -0.2423265 0.2611841 0.6952561), wk = 0.0026385 k( 81) = ( -0.2491074 0.2684927 0.6852864), wk = 0.0026385 k( 82) = ( -0.2558883 0.2758013 0.6753166), wk = 0.0026385 k( 83) = ( -0.2626692 0.2831098 0.6653469), wk = 0.0026385 k( 84) = ( -0.2694500 0.2904184 0.6553772), wk = 0.0026385 k( 85) = ( -0.2762309 0.2977270 0.6454075), wk = 0.0026385 k( 86) = ( -0.2830118 0.3050355 0.6354377), wk = 0.0026385 k( 87) = ( -0.2897927 0.3123441 0.6254680), wk = 0.0026385 k( 88) = ( -0.2965736 0.3196526 0.6154983), wk = 0.0026385 k( 89) = ( -0.3033544 0.3269612 0.6055286), wk = 0.0026385 k( 90) = ( -0.3101353 0.3342698 0.5955588), wk = 0.0026385 k( 91) = ( -0.3169162 0.3415783 0.5855891), wk = 0.0026385 k( 92) = ( -0.3236971 0.3488869 0.5756194), wk = 0.0026385 k( 93) = ( -0.3304780 0.3561955 0.5656497), wk = 0.0026385 k( 94) = ( -0.3372589 0.3635040 0.5556799), wk = 0.0026385 k( 95) = ( -0.3440397 0.3708126 0.5457102), wk = 0.0026385 k( 96) = ( -0.3508206 0.3781211 0.5357405), wk = 0.0026385 k( 97) = ( -0.3576015 0.3854297 0.5257708), wk = 0.0026385 k( 98) = ( -0.3576015 0.3854297 0.5257708), wk = 0.0026385 k( 99) = ( -0.3507246 0.3780176 0.5156598), wk = 0.0026385 k( 100) = ( -0.3438476 0.3706055 0.5055488), wk = 0.0026385 k( 101) = ( -0.3369706 0.3631934 0.4954378), wk = 0.0026385 k( 102) = ( -0.3300937 0.3557813 0.4853268), wk = 0.0026385 k( 103) = ( -0.3232167 0.3483691 0.4752159), wk = 0.0026385 k( 104) = ( -0.3163398 0.3409570 0.4651049), wk = 0.0026385 k( 105) = ( -0.3094628 0.3335449 0.4549939), wk = 0.0026385 k( 106) = ( -0.3025859 0.3261328 0.4448829), wk = 0.0026385 k( 107) = ( -0.2957089 0.3187207 0.4347720), wk = 0.0026385 k( 108) = ( -0.2888320 0.3113086 0.4246610), wk = 0.0026385 k( 109) = ( -0.2819550 0.3038965 0.4145500), wk = 0.0026385 k( 110) = ( -0.2750781 0.2964844 0.4044390), wk = 0.0026385 k( 111) = ( -0.2682011 0.2890723 0.3943281), wk = 0.0026385 k( 112) = ( -0.2613242 0.2816602 0.3842171), wk = 0.0026385 k( 113) = ( -0.2544472 0.2742481 0.3741061), wk = 0.0026385 k( 114) = ( -0.2475703 0.2668359 0.3639951), wk = 0.0026385 k( 115) = ( -0.2406933 0.2594238 0.3538842), wk = 0.0026385 k( 116) = ( -0.2338164 0.2520117 0.3437732), wk = 0.0026385 k( 117) = ( -0.2269394 0.2445996 0.3336622), wk = 0.0026385 k( 118) = ( -0.2200625 0.2371875 0.3235512), wk = 0.0026385 k( 119) = ( -0.2131855 0.2297754 0.3134403), wk = 0.0026385 k( 120) = ( -0.2063086 0.2223633 0.3033293), wk = 0.0026385 k( 121) = ( -0.1994316 0.2149512 0.2932183), wk = 0.0026385 k( 122) = ( -0.1925546 0.2075391 0.2831073), wk = 0.0026385 k( 123) = ( -0.1856777 0.2001270 0.2729963), wk = 0.0026385 k( 124) = ( -0.1788008 0.1927148 0.2628854), wk = 0.0026385 k( 125) = ( -0.1719238 0.1853027 0.2527744), wk = 0.0026385 k( 126) = ( -0.1650468 0.1778906 0.2426634), wk = 0.0026385 k( 127) = ( -0.1581699 0.1704785 0.2325524), wk = 0.0026385 k( 128) = ( -0.1512929 0.1630664 0.2224415), wk = 0.0026385 k( 129) = ( -0.1444160 0.1556543 0.2123305), wk = 0.0026385 k( 130) = ( -0.1375390 0.1482422 0.2022195), wk = 0.0026385 k( 131) = ( -0.1306621 0.1408301 0.1921085), wk = 0.0026385 k( 132) = ( -0.1237851 0.1334180 0.1819976), wk = 0.0026385 k( 133) = ( -0.1169082 0.1260059 0.1718866), wk = 0.0026385 k( 134) = ( -0.1100312 0.1185938 0.1617756), wk = 0.0026385 k( 135) = ( -0.1031543 0.1111816 0.1516646), wk = 0.0026385 k( 136) = ( -0.0962773 0.1037695 0.1415537), wk = 0.0026385 k( 137) = ( -0.0894004 0.0963574 0.1314427), wk = 0.0026385 k( 138) = ( -0.0825234 0.0889453 0.1213317), wk = 0.0026385 k( 139) = ( -0.0756465 0.0815332 0.1112207), wk = 0.0026385 k( 140) = ( -0.0687695 0.0741211 0.1011098), wk = 0.0026385 k( 141) = ( -0.0618926 0.0667090 0.0909988), wk = 0.0026385 k( 142) = ( -0.0550156 0.0592969 0.0808878), wk = 0.0026385 k( 143) = ( -0.0481387 0.0518848 0.0707768), wk = 0.0026385 k( 144) = ( -0.0412617 0.0444727 0.0606659), wk = 0.0026385 k( 145) = ( -0.0343848 0.0370605 0.0505549), wk = 0.0026385 k( 146) = ( -0.0275078 0.0296484 0.0404439), wk = 0.0026385 k( 147) = ( -0.0206309 0.0222363 0.0303329), wk = 0.0026385 k( 148) = ( -0.0137539 0.0148242 0.0202219), wk = 0.0026385 k( 149) = ( -0.0068769 0.0074121 0.0101110), wk = 0.0026385 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 152) = ( 0.0104167 0.0096646 0.0000000), wk = 0.0026385 k( 153) = ( 0.0208333 0.0193292 0.0000000), wk = 0.0026385 k( 154) = ( 0.0312500 0.0289937 0.0000000), wk = 0.0026385 k( 155) = ( 0.0416667 0.0386583 0.0000000), wk = 0.0026385 k( 156) = ( 0.0520833 0.0483229 0.0000000), wk = 0.0026385 k( 157) = ( 0.0625000 0.0579875 0.0000000), wk = 0.0026385 k( 158) = ( 0.0729167 0.0676521 0.0000000), wk = 0.0026385 k( 159) = ( 0.0833333 0.0773166 0.0000000), wk = 0.0026385 k( 160) = ( 0.0937500 0.0869812 0.0000000), wk = 0.0026385 k( 161) = ( 0.1041667 0.0966458 0.0000000), wk = 0.0026385 k( 162) = ( 0.1145833 0.1063104 0.0000000), wk = 0.0026385 k( 163) = ( 0.1250000 0.1159749 0.0000000), wk = 0.0026385 k( 164) = ( 0.1354167 0.1256395 0.0000000), wk = 0.0026385 k( 165) = ( 0.1458333 0.1353041 0.0000000), wk = 0.0026385 k( 166) = ( 0.1562500 0.1449687 0.0000000), wk = 0.0026385 k( 167) = ( 0.1666667 0.1546333 0.0000000), wk = 0.0026385 k( 168) = ( 0.1770833 0.1642978 0.0000000), wk = 0.0026385 k( 169) = ( 0.1875000 0.1739624 0.0000000), wk = 0.0026385 k( 170) = ( 0.1979167 0.1836270 0.0000000), wk = 0.0026385 k( 171) = ( 0.2083333 0.1932916 0.0000000), wk = 0.0026385 k( 172) = ( 0.2187500 0.2029562 0.0000000), wk = 0.0026385 k( 173) = ( 0.2291667 0.2126207 0.0000000), wk = 0.0026385 k( 174) = ( 0.2395833 0.2222853 0.0000000), wk = 0.0026385 k( 175) = ( 0.2500000 0.2319499 0.0000000), wk = 0.0026385 k( 176) = ( 0.2604167 0.2416145 0.0000000), wk = 0.0026385 k( 177) = ( 0.2708333 0.2512790 0.0000000), wk = 0.0026385 k( 178) = ( 0.2812500 0.2609436 0.0000000), wk = 0.0026385 k( 179) = ( 0.2916667 0.2706082 0.0000000), wk = 0.0026385 k( 180) = ( 0.3020833 0.2802728 0.0000000), wk = 0.0026385 k( 181) = ( 0.3125000 0.2899374 0.0000000), wk = 0.0026385 k( 182) = ( 0.3229167 0.2996019 0.0000000), wk = 0.0026385 k( 183) = ( 0.3333333 0.3092665 0.0000000), wk = 0.0026385 k( 184) = ( 0.3437500 0.3189311 0.0000000), wk = 0.0026385 k( 185) = ( 0.3541667 0.3285957 0.0000000), wk = 0.0026385 k( 186) = ( 0.3645833 0.3382602 0.0000000), wk = 0.0026385 k( 187) = ( 0.3750000 0.3479248 0.0000000), wk = 0.0026385 k( 188) = ( 0.3854167 0.3575894 0.0000000), wk = 0.0026385 k( 189) = ( 0.3958333 0.3672540 0.0000000), wk = 0.0026385 k( 190) = ( 0.4062500 0.3769186 0.0000000), wk = 0.0026385 k( 191) = ( 0.4166667 0.3865831 0.0000000), wk = 0.0026385 k( 192) = ( 0.4270833 0.3962477 0.0000000), wk = 0.0026385 k( 193) = ( 0.4375000 0.4059123 0.0000000), wk = 0.0026385 k( 194) = ( 0.4479167 0.4155769 0.0000000), wk = 0.0026385 k( 195) = ( 0.4583333 0.4252415 0.0000000), wk = 0.0026385 k( 196) = ( 0.4687500 0.4349060 0.0000000), wk = 0.0026385 k( 197) = ( 0.4791667 0.4445706 0.0000000), wk = 0.0026385 k( 198) = ( 0.4895833 0.4542352 0.0000000), wk = 0.0026385 k( 199) = ( 0.5000000 0.4638998 0.0000000), wk = 0.0026385 k( 200) = ( 0.5000000 0.4638998 0.0000000), wk = 0.0026385 k( 201) = ( 0.4932191 0.4712083 0.0099697), wk = 0.0026385 k( 202) = ( 0.4864382 0.4785169 0.0199394), wk = 0.0026385 k( 203) = ( 0.4796574 0.4858255 0.0299092), wk = 0.0026385 k( 204) = ( 0.4728765 0.4931340 0.0398789), wk = 0.0026385 k( 205) = ( 0.4660956 0.5004426 0.0498486), wk = 0.0026385 k( 206) = ( 0.4593147 0.5077512 0.0598184), wk = 0.0026385 k( 207) = ( 0.4525338 0.5150597 0.0697881), wk = 0.0026385 k( 208) = ( 0.4457529 0.5223683 0.0797578), wk = 0.0026385 k( 209) = ( 0.4389721 0.5296768 0.0897275), wk = 0.0026385 k( 210) = ( 0.4321912 0.5369854 0.0996973), wk = 0.0026385 k( 211) = ( 0.4254103 0.5442940 0.1096670), wk = 0.0026385 k( 212) = ( 0.4186294 0.5516025 0.1196367), wk = 0.0026385 k( 213) = ( 0.4118485 0.5589111 0.1296064), wk = 0.0026385 k( 214) = ( 0.4050677 0.5662196 0.1395762), wk = 0.0026385 k( 215) = ( 0.3982868 0.5735282 0.1495459), wk = 0.0026385 k( 216) = ( 0.3915059 0.5808368 0.1595156), wk = 0.0026385 k( 217) = ( 0.3847250 0.5881453 0.1694853), wk = 0.0026385 k( 218) = ( 0.3779441 0.5954539 0.1794551), wk = 0.0026385 k( 219) = ( 0.3711633 0.6027625 0.1894248), wk = 0.0026385 k( 220) = ( 0.3643824 0.6100710 0.1993945), wk = 0.0026385 k( 221) = ( 0.3576015 0.6173796 0.2093642), wk = 0.0026385 k( 222) = ( 0.3576015 0.6173796 0.2093642), wk = 0.0026385 k( 223) = ( 0.3452704 0.6133805 0.2148195), wk = 0.0026385 k( 224) = ( 0.3329393 0.6093813 0.2202748), wk = 0.0026385 k( 225) = ( 0.3206082 0.6053822 0.2257301), wk = 0.0026385 k( 226) = ( 0.3082772 0.6013830 0.2311854), wk = 0.0026385 k( 227) = ( 0.2959461 0.5973839 0.2366407), wk = 0.0026385 k( 228) = ( 0.2836150 0.5933848 0.2420960), wk = 0.0026385 k( 229) = ( 0.2712839 0.5893856 0.2475512), wk = 0.0026385 k( 230) = ( 0.2589528 0.5853865 0.2530065), wk = 0.0026385 k( 231) = ( 0.2466217 0.5813874 0.2584618), wk = 0.0026385 k( 232) = ( 0.2342906 0.5773882 0.2639171), wk = 0.0026385 k( 233) = ( 0.2219596 0.5733891 0.2693724), wk = 0.0026385 k( 234) = ( 0.2096285 0.5693900 0.2748277), wk = 0.0026385 k( 235) = ( 0.1972974 0.5653908 0.2802829), wk = 0.0026385 k( 236) = ( 0.1849663 0.5613917 0.2857382), wk = 0.0026385 k( 237) = ( 0.1726352 0.5573925 0.2911935), wk = 0.0026385 k( 238) = ( 0.1603041 0.5533934 0.2966488), wk = 0.0026385 k( 239) = ( 0.1479730 0.5493943 0.3021041), wk = 0.0026385 k( 240) = ( 0.1356420 0.5453951 0.3075594), wk = 0.0026385 k( 241) = ( 0.1233109 0.5413960 0.3130147), wk = 0.0026385 k( 242) = ( 0.1109798 0.5373969 0.3184699), wk = 0.0026385 k( 243) = ( 0.0986487 0.5333977 0.3239252), wk = 0.0026385 k( 244) = ( 0.0863176 0.5293986 0.3293805), wk = 0.0026385 k( 245) = ( 0.0739865 0.5253995 0.3348358), wk = 0.0026385 k( 246) = ( 0.0616554 0.5214003 0.3402911), wk = 0.0026385 k( 247) = ( 0.0493243 0.5174012 0.3457464), wk = 0.0026385 k( 248) = ( 0.0369933 0.5134021 0.3512016), wk = 0.0026385 k( 249) = ( 0.0246622 0.5094029 0.3566569), wk = 0.0026385 k( 250) = ( 0.0123311 0.5054038 0.3621122), wk = 0.0026385 k( 251) = ( 0.0000000 0.5014046 0.3675675), wk = 0.0026385 k( 252) = ( 0.0000000 0.5014046 0.3675675), wk = 0.0026385 k( 253) = ( 0.0067568 0.4941221 0.3775018), wk = 0.0026385 k( 254) = ( 0.0135135 0.4868395 0.3874360), wk = 0.0026385 k( 255) = ( 0.0202703 0.4795570 0.3973703), wk = 0.0026385 k( 256) = ( 0.0270270 0.4722744 0.4073045), wk = 0.0026385 k( 257) = ( 0.0337838 0.4649918 0.4172388), wk = 0.0026385 k( 258) = ( 0.0405405 0.4577093 0.4271730), wk = 0.0026385 k( 259) = ( 0.0472973 0.4504267 0.4371073), wk = 0.0026385 k( 260) = ( 0.0540540 0.4431442 0.4470415), wk = 0.0026385 k( 261) = ( 0.0608108 0.4358616 0.4569758), wk = 0.0026385 k( 262) = ( 0.0675676 0.4285790 0.4669101), wk = 0.0026385 k( 263) = ( 0.0743243 0.4212965 0.4768443), wk = 0.0026385 k( 264) = ( 0.0810811 0.4140139 0.4867786), wk = 0.0026385 k( 265) = ( 0.0878378 0.4067313 0.4967128), wk = 0.0026385 k( 266) = ( 0.0945946 0.3994488 0.5066471), wk = 0.0026385 k( 267) = ( 0.1013514 0.3921662 0.5165813), wk = 0.0026385 k( 268) = ( 0.1081081 0.3848837 0.5265156), wk = 0.0026385 k( 269) = ( 0.1148649 0.3776011 0.5364499), wk = 0.0026385 k( 270) = ( 0.1216216 0.3703185 0.5463841), wk = 0.0026385 k( 271) = ( 0.1283784 0.3630360 0.5563184), wk = 0.0026385 k( 272) = ( 0.1351351 0.3557534 0.5662526), wk = 0.0026385 k( 273) = ( 0.1418919 0.3484709 0.5761869), wk = 0.0026385 k( 274) = ( 0.1486486 0.3411883 0.5861211), wk = 0.0026385 k( 275) = ( 0.1554054 0.3339057 0.5960554), wk = 0.0026385 k( 276) = ( 0.1621622 0.3266232 0.6059897), wk = 0.0026385 k( 277) = ( 0.1689189 0.3193406 0.6159239), wk = 0.0026385 k( 278) = ( 0.1756757 0.3120581 0.6258582), wk = 0.0026385 k( 279) = ( 0.1824324 0.3047755 0.6357924), wk = 0.0026385 k( 280) = ( 0.1891892 0.2974929 0.6457267), wk = 0.0026385 k( 281) = ( 0.1959460 0.2902104 0.6556609), wk = 0.0026385 k( 282) = ( 0.2027027 0.2829278 0.6655952), wk = 0.0026385 k( 283) = ( 0.2094595 0.2756453 0.6755295), wk = 0.0026385 k( 284) = ( 0.2162162 0.2683627 0.6854637), wk = 0.0026385 k( 285) = ( 0.2229730 0.2610801 0.6953980), wk = 0.0026385 k( 286) = ( 0.2297297 0.2537976 0.7053322), wk = 0.0026385 k( 287) = ( 0.2364865 0.2465150 0.7152665), wk = 0.0026385 k( 288) = ( 0.2432432 0.2392325 0.7252007), wk = 0.0026385 k( 289) = ( 0.2500000 0.2319499 0.7351350), wk = 0.0026385 k( 290) = ( 0.2500000 0.2319499 0.7351350), wk = 0.0026385 k( 291) = ( 0.2575758 0.2389787 0.7255469), wk = 0.0026385 k( 292) = ( 0.2651515 0.2460075 0.7159589), wk = 0.0026385 k( 293) = ( 0.2727273 0.2530362 0.7063708), wk = 0.0026385 k( 294) = ( 0.2803030 0.2600650 0.6967827), wk = 0.0026385 k( 295) = ( 0.2878788 0.2670938 0.6871946), wk = 0.0026385 k( 296) = ( 0.2954545 0.2741226 0.6776065), wk = 0.0026385 k( 297) = ( 0.3030303 0.2811514 0.6680185), wk = 0.0026385 k( 298) = ( 0.3106061 0.2881802 0.6584304), wk = 0.0026385 k( 299) = ( 0.3181818 0.2952089 0.6488423), wk = 0.0026385 k( 300) = ( 0.3257576 0.3022377 0.6392542), wk = 0.0026385 k( 301) = ( 0.3333333 0.3092665 0.6296661), wk = 0.0026385 k( 302) = ( 0.3409091 0.3162953 0.6200781), wk = 0.0026385 k( 303) = ( 0.3484849 0.3233241 0.6104900), wk = 0.0026385 k( 304) = ( 0.3560606 0.3303529 0.6009019), wk = 0.0026385 k( 305) = ( 0.3636364 0.3373817 0.5913138), wk = 0.0026385 k( 306) = ( 0.3712121 0.3444104 0.5817258), wk = 0.0026385 k( 307) = ( 0.3787879 0.3514392 0.5721377), wk = 0.0026385 k( 308) = ( 0.3863636 0.3584680 0.5625496), wk = 0.0026385 k( 309) = ( 0.3939394 0.3654968 0.5529615), wk = 0.0026385 k( 310) = ( 0.4015151 0.3725256 0.5433735), wk = 0.0026385 k( 311) = ( 0.4090909 0.3795544 0.5337854), wk = 0.0026385 k( 312) = ( 0.4166667 0.3865831 0.5241973), wk = 0.0026385 k( 313) = ( 0.4242424 0.3936119 0.5146092), wk = 0.0026385 k( 314) = ( 0.4318182 0.4006407 0.5050212), wk = 0.0026385 k( 315) = ( 0.4393939 0.4076695 0.4954331), wk = 0.0026385 k( 316) = ( 0.4469697 0.4146983 0.4858450), wk = 0.0026385 k( 317) = ( 0.4545455 0.4217271 0.4762569), wk = 0.0026385 k( 318) = ( 0.4621212 0.4287559 0.4666689), wk = 0.0026385 k( 319) = ( 0.4696970 0.4357846 0.4570808), wk = 0.0026385 k( 320) = ( 0.4772727 0.4428134 0.4474927), wk = 0.0026385 k( 321) = ( 0.4848485 0.4498422 0.4379046), wk = 0.0026385 k( 322) = ( 0.4924242 0.4568710 0.4283166), wk = 0.0026385 k( 323) = ( 0.5000000 0.4638998 0.4187285), wk = 0.0026385 k( 324) = ( 0.5000000 0.4638998 0.4187285), wk = 0.0026385 k( 325) = ( 0.5000000 0.4638998 0.4047709), wk = 0.0026385 k( 326) = ( 0.5000000 0.4638998 0.3908132), wk = 0.0026385 k( 327) = ( 0.5000000 0.4638998 0.3768556), wk = 0.0026385 k( 328) = ( 0.5000000 0.4638998 0.3628980), wk = 0.0026385 k( 329) = ( 0.5000000 0.4638998 0.3489404), wk = 0.0026385 k( 330) = ( 0.5000000 0.4638998 0.3349828), wk = 0.0026385 k( 331) = ( 0.5000000 0.4638998 0.3210252), wk = 0.0026385 k( 332) = ( 0.5000000 0.4638998 0.3070675), wk = 0.0026385 k( 333) = ( 0.5000000 0.4638998 0.2931099), wk = 0.0026385 k( 334) = ( 0.5000000 0.4638998 0.2791523), wk = 0.0026385 k( 335) = ( 0.5000000 0.4638998 0.2651947), wk = 0.0026385 k( 336) = ( 0.5000000 0.4638998 0.2512371), wk = 0.0026385 k( 337) = ( 0.5000000 0.4638998 0.2372795), wk = 0.0026385 k( 338) = ( 0.5000000 0.4638998 0.2233219), wk = 0.0026385 k( 339) = ( 0.5000000 0.4638998 0.2093642), wk = 0.0026385 k( 340) = ( 0.5000000 0.4638998 0.1954066), wk = 0.0026385 k( 341) = ( 0.5000000 0.4638998 0.1814490), wk = 0.0026385 k( 342) = ( 0.5000000 0.4638998 0.1674914), wk = 0.0026385 k( 343) = ( 0.5000000 0.4638998 0.1535338), wk = 0.0026385 k( 344) = ( 0.5000000 0.4638998 0.1395762), wk = 0.0026385 k( 345) = ( 0.5000000 0.4638998 0.1256185), wk = 0.0026385 k( 346) = ( 0.5000000 0.4638998 0.1116609), wk = 0.0026385 k( 347) = ( 0.5000000 0.4638998 0.0977033), wk = 0.0026385 k( 348) = ( 0.5000000 0.4638998 0.0837457), wk = 0.0026385 k( 349) = ( 0.5000000 0.4638998 0.0697881), wk = 0.0026385 k( 350) = ( 0.5000000 0.4638998 0.0558305), wk = 0.0026385 k( 351) = ( 0.5000000 0.4638998 0.0418728), wk = 0.0026385 k( 352) = ( 0.5000000 0.4638998 0.0279152), wk = 0.0026385 k( 353) = ( 0.5000000 0.4638998 0.0139576), wk = 0.0026385 k( 354) = ( 0.5000000 0.4638998 0.0000000), wk = 0.0026385 k( 355) = ( 0.0000000 0.0000000 0.7351350), wk = 0.0026385 k( 356) = ( 0.0104167 0.0096646 0.7351350), wk = 0.0026385 k( 357) = ( 0.0208333 0.0193292 0.7351350), wk = 0.0026385 k( 358) = ( 0.0312500 0.0289937 0.7351350), wk = 0.0026385 k( 359) = ( 0.0416667 0.0386583 0.7351350), wk = 0.0026385 k( 360) = ( 0.0520833 0.0483229 0.7351350), wk = 0.0026385 k( 361) = ( 0.0625000 0.0579875 0.7351350), wk = 0.0026385 k( 362) = ( 0.0729167 0.0676521 0.7351350), wk = 0.0026385 k( 363) = ( 0.0833333 0.0773166 0.7351350), wk = 0.0026385 k( 364) = ( 0.0937500 0.0869812 0.7351350), wk = 0.0026385 k( 365) = ( 0.1041667 0.0966458 0.7351350), wk = 0.0026385 k( 366) = ( 0.1145833 0.1063104 0.7351350), wk = 0.0026385 k( 367) = ( 0.1250000 0.1159749 0.7351350), wk = 0.0026385 k( 368) = ( 0.1354167 0.1256395 0.7351350), wk = 0.0026385 k( 369) = ( 0.1458333 0.1353041 0.7351350), wk = 0.0026385 k( 370) = ( 0.1562500 0.1449687 0.7351350), wk = 0.0026385 k( 371) = ( 0.1666667 0.1546333 0.7351350), wk = 0.0026385 k( 372) = ( 0.1770833 0.1642978 0.7351350), wk = 0.0026385 k( 373) = ( 0.1875000 0.1739624 0.7351350), wk = 0.0026385 k( 374) = ( 0.1979167 0.1836270 0.7351350), wk = 0.0026385 k( 375) = ( 0.2083333 0.1932916 0.7351350), wk = 0.0026385 k( 376) = ( 0.2187500 0.2029562 0.7351350), wk = 0.0026385 k( 377) = ( 0.2291667 0.2126207 0.7351350), wk = 0.0026385 k( 378) = ( 0.2395833 0.2222853 0.7351350), wk = 0.0026385 k( 379) = ( 0.2500000 0.2319499 0.7351350), wk = 0.0026385 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0026385 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0026385 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026385 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0026385 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0026385 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026385 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0026385 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0026385 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026385 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0026385 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0026385 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026385 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0026385 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0026385 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026385 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0026385 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026385 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026385 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0026385 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0026385 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026385 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0026385 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0026385 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026385 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0026385 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0026385 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026385 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0026385 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0026385 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026385 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0026385 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0026385 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026385 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026385 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0026385 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026385 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0026385 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0026385 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026385 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0026385 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0026385 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026385 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0026385 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0026385 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026385 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0026385 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0026385 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026385 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0026385 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0026385 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 54) = ( -0.0097819 0.0097820 0.5000000), wk = 0.0026385 k( 55) = ( -0.0195639 0.0195639 0.5000000), wk = 0.0026385 k( 56) = ( -0.0293459 0.0293459 0.5000000), wk = 0.0026385 k( 57) = ( -0.0391278 0.0391278 0.5000000), wk = 0.0026385 k( 58) = ( -0.0489098 0.0489098 0.5000000), wk = 0.0026385 k( 59) = ( -0.0586917 0.0586917 0.5000000), wk = 0.0026385 k( 60) = ( -0.0684737 0.0684737 0.5000000), wk = 0.0026385 k( 61) = ( -0.0782556 0.0782556 0.5000000), wk = 0.0026385 k( 62) = ( -0.0880376 0.0880376 0.5000000), wk = 0.0026385 k( 63) = ( -0.0978196 0.0978196 0.5000000), wk = 0.0026385 k( 64) = ( -0.1076015 0.1076015 0.5000000), wk = 0.0026385 k( 65) = ( -0.1173835 0.1173835 0.5000000), wk = 0.0026385 k( 66) = ( -0.1271654 0.1271654 0.5000000), wk = 0.0026385 k( 67) = ( -0.1369474 0.1369474 0.5000000), wk = 0.0026385 k( 68) = ( -0.1467293 0.1467293 0.5000000), wk = 0.0026385 k( 69) = ( -0.1565113 0.1565113 0.5000000), wk = 0.0026385 k( 70) = ( -0.1662932 0.1662932 0.5000000), wk = 0.0026385 k( 71) = ( -0.1760752 0.1760752 0.5000000), wk = 0.0026385 k( 72) = ( -0.1858571 0.1858571 0.5000000), wk = 0.0026385 k( 73) = ( -0.1956391 0.1956391 0.5000000), wk = 0.0026385 k( 74) = ( -0.2054210 0.2054210 0.5000000), wk = 0.0026385 k( 75) = ( -0.2152030 0.2152030 0.5000000), wk = 0.0026385 k( 76) = ( -0.2152030 0.2152030 0.5000000), wk = 0.0026385 k( 77) = ( -0.2219839 0.2219839 0.4932191), wk = 0.0026385 k( 78) = ( -0.2287648 0.2287648 0.4864382), wk = 0.0026385 k( 79) = ( -0.2355456 0.2355456 0.4796574), wk = 0.0026385 k( 80) = ( -0.2423265 0.2423265 0.4728765), wk = 0.0026385 k( 81) = ( -0.2491074 0.2491074 0.4660956), wk = 0.0026385 k( 82) = ( -0.2558883 0.2558883 0.4593147), wk = 0.0026385 k( 83) = ( -0.2626692 0.2626692 0.4525338), wk = 0.0026385 k( 84) = ( -0.2694500 0.2694501 0.4457529), wk = 0.0026385 k( 85) = ( -0.2762309 0.2762309 0.4389721), wk = 0.0026385 k( 86) = ( -0.2830118 0.2830118 0.4321912), wk = 0.0026385 k( 87) = ( -0.2897927 0.2897927 0.4254103), wk = 0.0026385 k( 88) = ( -0.2965736 0.2965736 0.4186294), wk = 0.0026385 k( 89) = ( -0.3033544 0.3033544 0.4118485), wk = 0.0026385 k( 90) = ( -0.3101353 0.3101353 0.4050677), wk = 0.0026385 k( 91) = ( -0.3169162 0.3169162 0.3982868), wk = 0.0026385 k( 92) = ( -0.3236971 0.3236971 0.3915059), wk = 0.0026385 k( 93) = ( -0.3304780 0.3304780 0.3847250), wk = 0.0026385 k( 94) = ( -0.3372589 0.3372589 0.3779441), wk = 0.0026385 k( 95) = ( -0.3440397 0.3440397 0.3711633), wk = 0.0026385 k( 96) = ( -0.3508206 0.3508206 0.3643824), wk = 0.0026385 k( 97) = ( -0.3576015 0.3576015 0.3576015), wk = 0.0026385 k( 98) = ( -0.3576015 0.3576015 0.3576015), wk = 0.0026385 k( 99) = ( -0.3507246 0.3507246 0.3507246), wk = 0.0026385 k( 100) = ( -0.3438476 0.3438476 0.3438476), wk = 0.0026385 k( 101) = ( -0.3369706 0.3369706 0.3369706), wk = 0.0026385 k( 102) = ( -0.3300937 0.3300937 0.3300937), wk = 0.0026385 k( 103) = ( -0.3232167 0.3232167 0.3232167), wk = 0.0026385 k( 104) = ( -0.3163398 0.3163398 0.3163398), wk = 0.0026385 k( 105) = ( -0.3094628 0.3094628 0.3094628), wk = 0.0026385 k( 106) = ( -0.3025859 0.3025859 0.3025859), wk = 0.0026385 k( 107) = ( -0.2957089 0.2957089 0.2957089), wk = 0.0026385 k( 108) = ( -0.2888320 0.2888320 0.2888320), wk = 0.0026385 k( 109) = ( -0.2819550 0.2819550 0.2819550), wk = 0.0026385 k( 110) = ( -0.2750781 0.2750781 0.2750781), wk = 0.0026385 k( 111) = ( -0.2682011 0.2682011 0.2682011), wk = 0.0026385 k( 112) = ( -0.2613242 0.2613242 0.2613242), wk = 0.0026385 k( 113) = ( -0.2544472 0.2544472 0.2544472), wk = 0.0026385 k( 114) = ( -0.2475703 0.2475703 0.2475703), wk = 0.0026385 k( 115) = ( -0.2406933 0.2406933 0.2406933), wk = 0.0026385 k( 116) = ( -0.2338164 0.2338164 0.2338164), wk = 0.0026385 k( 117) = ( -0.2269394 0.2269394 0.2269394), wk = 0.0026385 k( 118) = ( -0.2200625 0.2200625 0.2200625), wk = 0.0026385 k( 119) = ( -0.2131855 0.2131855 0.2131855), wk = 0.0026385 k( 120) = ( -0.2063086 0.2063086 0.2063086), wk = 0.0026385 k( 121) = ( -0.1994316 0.1994316 0.1994316), wk = 0.0026385 k( 122) = ( -0.1925546 0.1925547 0.1925546), wk = 0.0026385 k( 123) = ( -0.1856777 0.1856777 0.1856777), wk = 0.0026385 k( 124) = ( -0.1788008 0.1788008 0.1788008), wk = 0.0026385 k( 125) = ( -0.1719238 0.1719238 0.1719238), wk = 0.0026385 k( 126) = ( -0.1650468 0.1650468 0.1650468), wk = 0.0026385 k( 127) = ( -0.1581699 0.1581699 0.1581699), wk = 0.0026385 k( 128) = ( -0.1512929 0.1512929 0.1512929), wk = 0.0026385 k( 129) = ( -0.1444160 0.1444160 0.1444160), wk = 0.0026385 k( 130) = ( -0.1375390 0.1375390 0.1375390), wk = 0.0026385 k( 131) = ( -0.1306621 0.1306621 0.1306621), wk = 0.0026385 k( 132) = ( -0.1237851 0.1237851 0.1237851), wk = 0.0026385 k( 133) = ( -0.1169082 0.1169082 0.1169082), wk = 0.0026385 k( 134) = ( -0.1100312 0.1100312 0.1100312), wk = 0.0026385 k( 135) = ( -0.1031543 0.1031543 0.1031543), wk = 0.0026385 k( 136) = ( -0.0962773 0.0962773 0.0962773), wk = 0.0026385 k( 137) = ( -0.0894004 0.0894004 0.0894004), wk = 0.0026385 k( 138) = ( -0.0825234 0.0825234 0.0825234), wk = 0.0026385 k( 139) = ( -0.0756465 0.0756465 0.0756465), wk = 0.0026385 k( 140) = ( -0.0687695 0.0687695 0.0687695), wk = 0.0026385 k( 141) = ( -0.0618926 0.0618926 0.0618926), wk = 0.0026385 k( 142) = ( -0.0550156 0.0550156 0.0550156), wk = 0.0026385 k( 143) = ( -0.0481387 0.0481387 0.0481387), wk = 0.0026385 k( 144) = ( -0.0412617 0.0412617 0.0412617), wk = 0.0026385 k( 145) = ( -0.0343848 0.0343848 0.0343848), wk = 0.0026385 k( 146) = ( -0.0275078 0.0275078 0.0275078), wk = 0.0026385 k( 147) = ( -0.0206309 0.0206309 0.0206309), wk = 0.0026385 k( 148) = ( -0.0137539 0.0137539 0.0137539), wk = 0.0026385 k( 149) = ( -0.0068769 0.0068769 0.0068769), wk = 0.0026385 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026385 k( 152) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026385 k( 153) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026385 k( 154) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026385 k( 155) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026385 k( 156) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026385 k( 157) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026385 k( 158) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026385 k( 159) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026385 k( 160) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026385 k( 161) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026385 k( 162) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026385 k( 163) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026385 k( 164) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026385 k( 165) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026385 k( 166) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026385 k( 167) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026385 k( 168) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026385 k( 169) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026385 k( 170) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026385 k( 171) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026385 k( 172) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026385 k( 173) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026385 k( 174) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026385 k( 175) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026385 k( 176) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026385 k( 177) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026385 k( 178) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026385 k( 179) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026385 k( 180) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026385 k( 181) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026385 k( 182) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026385 k( 183) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026385 k( 184) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026385 k( 185) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026385 k( 186) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026385 k( 187) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026385 k( 188) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026385 k( 189) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026385 k( 190) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026385 k( 191) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026385 k( 192) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026385 k( 193) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026385 k( 194) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026385 k( 195) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026385 k( 196) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026385 k( 197) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026385 k( 198) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026385 k( 199) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026385 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026385 k( 201) = ( 0.4932191 0.5067809 -0.4932191), wk = 0.0026385 k( 202) = ( 0.4864382 0.5135618 -0.4864382), wk = 0.0026385 k( 203) = ( 0.4796574 0.5203426 -0.4796574), wk = 0.0026385 k( 204) = ( 0.4728765 0.5271235 -0.4728765), wk = 0.0026385 k( 205) = ( 0.4660956 0.5339044 -0.4660956), wk = 0.0026385 k( 206) = ( 0.4593147 0.5406853 -0.4593147), wk = 0.0026385 k( 207) = ( 0.4525338 0.5474662 -0.4525338), wk = 0.0026385 k( 208) = ( 0.4457529 0.5542470 -0.4457530), wk = 0.0026385 k( 209) = ( 0.4389721 0.5610279 -0.4389721), wk = 0.0026385 k( 210) = ( 0.4321912 0.5678088 -0.4321912), wk = 0.0026385 k( 211) = ( 0.4254103 0.5745897 -0.4254103), wk = 0.0026385 k( 212) = ( 0.4186294 0.5813706 -0.4186294), wk = 0.0026385 k( 213) = ( 0.4118485 0.5881515 -0.4118486), wk = 0.0026385 k( 214) = ( 0.4050677 0.5949323 -0.4050677), wk = 0.0026385 k( 215) = ( 0.3982868 0.6017132 -0.3982868), wk = 0.0026385 k( 216) = ( 0.3915059 0.6084941 -0.3915059), wk = 0.0026385 k( 217) = ( 0.3847250 0.6152750 -0.3847250), wk = 0.0026385 k( 218) = ( 0.3779441 0.6220559 -0.3779441), wk = 0.0026385 k( 219) = ( 0.3711633 0.6288367 -0.3711633), wk = 0.0026385 k( 220) = ( 0.3643824 0.6356176 -0.3643824), wk = 0.0026385 k( 221) = ( 0.3576015 0.6423985 -0.3576015), wk = 0.0026385 k( 222) = ( 0.3576015 0.6423985 -0.3576015), wk = 0.0026385 k( 223) = ( 0.3452704 0.6374882 -0.3452704), wk = 0.0026385 k( 224) = ( 0.3329393 0.6325779 -0.3329393), wk = 0.0026385 k( 225) = ( 0.3206082 0.6276676 -0.3206082), wk = 0.0026385 k( 226) = ( 0.3082772 0.6227573 -0.3082772), wk = 0.0026385 k( 227) = ( 0.2959461 0.6178470 -0.2959461), wk = 0.0026385 k( 228) = ( 0.2836150 0.6129367 -0.2836150), wk = 0.0026385 k( 229) = ( 0.2712839 0.6080264 -0.2712839), wk = 0.0026385 k( 230) = ( 0.2589528 0.6031161 -0.2589528), wk = 0.0026385 k( 231) = ( 0.2466217 0.5982059 -0.2466217), wk = 0.0026385 k( 232) = ( 0.2342906 0.5932956 -0.2342906), wk = 0.0026385 k( 233) = ( 0.2219596 0.5883853 -0.2219596), wk = 0.0026385 k( 234) = ( 0.2096285 0.5834750 -0.2096285), wk = 0.0026385 k( 235) = ( 0.1972974 0.5785647 -0.1972974), wk = 0.0026385 k( 236) = ( 0.1849663 0.5736544 -0.1849663), wk = 0.0026385 k( 237) = ( 0.1726352 0.5687441 -0.1726352), wk = 0.0026385 k( 238) = ( 0.1603041 0.5638338 -0.1603041), wk = 0.0026385 k( 239) = ( 0.1479730 0.5589235 -0.1479730), wk = 0.0026385 k( 240) = ( 0.1356420 0.5540132 -0.1356420), wk = 0.0026385 k( 241) = ( 0.1233109 0.5491029 -0.1233109), wk = 0.0026385 k( 242) = ( 0.1109798 0.5441926 -0.1109798), wk = 0.0026385 k( 243) = ( 0.0986487 0.5392823 -0.0986487), wk = 0.0026385 k( 244) = ( 0.0863176 0.5343720 -0.0863176), wk = 0.0026385 k( 245) = ( 0.0739865 0.5294618 -0.0739865), wk = 0.0026385 k( 246) = ( 0.0616554 0.5245515 -0.0616554), wk = 0.0026385 k( 247) = ( 0.0493243 0.5196412 -0.0493243), wk = 0.0026385 k( 248) = ( 0.0369933 0.5147309 -0.0369933), wk = 0.0026385 k( 249) = ( 0.0246622 0.5098206 -0.0246622), wk = 0.0026385 k( 250) = ( 0.0123311 0.5049103 -0.0123311), wk = 0.0026385 k( 251) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026385 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026385 k( 253) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0026385 k( 254) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0026385 k( 255) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0026385 k( 256) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0026385 k( 257) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0026385 k( 258) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0026385 k( 259) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0026385 k( 260) = ( 0.0540540 0.4459459 0.0540541), wk = 0.0026385 k( 261) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0026385 k( 262) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0026385 k( 263) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0026385 k( 264) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0026385 k( 265) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0026385 k( 266) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0026385 k( 267) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0026385 k( 268) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0026385 k( 269) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0026385 k( 270) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0026385 k( 271) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0026385 k( 272) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0026385 k( 273) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0026385 k( 274) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0026385 k( 275) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0026385 k( 276) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0026385 k( 277) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0026385 k( 278) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0026385 k( 279) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0026385 k( 280) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0026385 k( 281) = ( 0.1959460 0.3040541 0.1959460), wk = 0.0026385 k( 282) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0026385 k( 283) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0026385 k( 284) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0026385 k( 285) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0026385 k( 286) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0026385 k( 287) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0026385 k( 288) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0026385 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026385 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026385 k( 291) = ( 0.2575758 0.2575758 0.2359029), wk = 0.0026385 k( 292) = ( 0.2651515 0.2651515 0.2218059), wk = 0.0026385 k( 293) = ( 0.2727273 0.2727273 0.2077088), wk = 0.0026385 k( 294) = ( 0.2803030 0.2803030 0.1936118), wk = 0.0026385 k( 295) = ( 0.2878788 0.2878788 0.1795147), wk = 0.0026385 k( 296) = ( 0.2954545 0.2954545 0.1654176), wk = 0.0026385 k( 297) = ( 0.3030303 0.3030303 0.1513206), wk = 0.0026385 k( 298) = ( 0.3106061 0.3106061 0.1372235), wk = 0.0026385 k( 299) = ( 0.3181818 0.3181818 0.1231264), wk = 0.0026385 k( 300) = ( 0.3257576 0.3257576 0.1090294), wk = 0.0026385 k( 301) = ( 0.3333333 0.3333333 0.0949323), wk = 0.0026385 k( 302) = ( 0.3409091 0.3409091 0.0808353), wk = 0.0026385 k( 303) = ( 0.3484849 0.3484849 0.0667382), wk = 0.0026385 k( 304) = ( 0.3560606 0.3560606 0.0526412), wk = 0.0026385 k( 305) = ( 0.3636364 0.3636364 0.0385441), wk = 0.0026385 k( 306) = ( 0.3712121 0.3712121 0.0244470), wk = 0.0026385 k( 307) = ( 0.3787879 0.3787879 0.0103500), wk = 0.0026385 k( 308) = ( 0.3863636 0.3863636 -0.0037471), wk = 0.0026385 k( 309) = ( 0.3939394 0.3939394 -0.0178442), wk = 0.0026385 k( 310) = ( 0.4015151 0.4015151 -0.0319412), wk = 0.0026385 k( 311) = ( 0.4090909 0.4090909 -0.0460383), wk = 0.0026385 k( 312) = ( 0.4166667 0.4166667 -0.0601353), wk = 0.0026385 k( 313) = ( 0.4242424 0.4242424 -0.0742324), wk = 0.0026385 k( 314) = ( 0.4318182 0.4318182 -0.0883295), wk = 0.0026385 k( 315) = ( 0.4393939 0.4393939 -0.1024265), wk = 0.0026385 k( 316) = ( 0.4469697 0.4469697 -0.1165236), wk = 0.0026385 k( 317) = ( 0.4545455 0.4545455 -0.1306206), wk = 0.0026385 k( 318) = ( 0.4621212 0.4621212 -0.1447177), wk = 0.0026385 k( 319) = ( 0.4696970 0.4696970 -0.1588148), wk = 0.0026385 k( 320) = ( 0.4772727 0.4772727 -0.1729118), wk = 0.0026385 k( 321) = ( 0.4848485 0.4848485 -0.1870089), wk = 0.0026385 k( 322) = ( 0.4924242 0.4924242 -0.2011059), wk = 0.0026385 k( 323) = ( 0.5000000 0.5000000 -0.2152030), wk = 0.0026385 k( 324) = ( 0.5000000 0.5000000 -0.2152030), wk = 0.0026385 k( 325) = ( 0.5000000 0.5000000 -0.2246962), wk = 0.0026385 k( 326) = ( 0.5000000 0.5000000 -0.2341895), wk = 0.0026385 k( 327) = ( 0.5000000 0.5000000 -0.2436827), wk = 0.0026385 k( 328) = ( 0.5000000 0.5000000 -0.2531759), wk = 0.0026385 k( 329) = ( 0.5000000 0.5000000 -0.2626692), wk = 0.0026385 k( 330) = ( 0.5000000 0.5000000 -0.2721624), wk = 0.0026385 k( 331) = ( 0.5000000 0.5000000 -0.2816556), wk = 0.0026385 k( 332) = ( 0.5000000 0.5000000 -0.2911489), wk = 0.0026385 k( 333) = ( 0.5000000 0.5000000 -0.3006421), wk = 0.0026385 k( 334) = ( 0.5000000 0.5000000 -0.3101353), wk = 0.0026385 k( 335) = ( 0.5000000 0.5000000 -0.3196286), wk = 0.0026385 k( 336) = ( 0.5000000 0.5000000 -0.3291218), wk = 0.0026385 k( 337) = ( 0.5000000 0.5000000 -0.3386150), wk = 0.0026385 k( 338) = ( 0.5000000 0.5000000 -0.3481083), wk = 0.0026385 k( 339) = ( 0.5000000 0.5000000 -0.3576015), wk = 0.0026385 k( 340) = ( 0.5000000 0.5000000 -0.3670947), wk = 0.0026385 k( 341) = ( 0.5000000 0.5000000 -0.3765880), wk = 0.0026385 k( 342) = ( 0.5000000 0.5000000 -0.3860812), wk = 0.0026385 k( 343) = ( 0.5000000 0.5000000 -0.3955744), wk = 0.0026385 k( 344) = ( 0.5000000 0.5000000 -0.4050677), wk = 0.0026385 k( 345) = ( 0.5000000 0.5000000 -0.4145609), wk = 0.0026385 k( 346) = ( 0.5000000 0.5000000 -0.4240541), wk = 0.0026385 k( 347) = ( 0.5000000 0.5000000 -0.4335474), wk = 0.0026385 k( 348) = ( 0.5000000 0.5000000 -0.4430406), wk = 0.0026385 k( 349) = ( 0.5000000 0.5000000 -0.4525338), wk = 0.0026385 k( 350) = ( 0.5000000 0.5000000 -0.4620271), wk = 0.0026385 k( 351) = ( 0.5000000 0.5000000 -0.4715203), wk = 0.0026385 k( 352) = ( 0.5000000 0.5000000 -0.4810135), wk = 0.0026385 k( 353) = ( 0.5000000 0.5000000 -0.4905068), wk = 0.0026385 k( 354) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026385 k( 355) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026385 k( 356) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026385 k( 357) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026385 k( 358) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026385 k( 359) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026385 k( 360) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026385 k( 361) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026385 k( 362) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026385 k( 363) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026385 k( 364) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026385 k( 365) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026385 k( 366) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026385 k( 367) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026385 k( 368) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026385 k( 369) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026385 k( 370) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026385 k( 371) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026385 k( 372) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026385 k( 373) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026385 k( 374) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026385 k( 375) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026385 k( 376) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026385 k( 377) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026385 k( 378) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026385 k( 379) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026385 Dense grid: 42241 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18555 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 98, 40) NL pseudopotentials 0.08 Mb ( 49, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 881) G-vector shells 0.00 Mb ( 420) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 98, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.4 secs Computing kpt #: 5 total cpu time spent up to now is 48.6 secs Computing kpt #: 6 total cpu time spent up to now is 49.7 secs Computing kpt #: 7 total cpu time spent up to now is 50.9 secs Computing kpt #: 8 total cpu time spent up to now is 52.0 secs Computing kpt #: 9 total cpu time spent up to now is 53.2 secs Computing kpt #: 10 total cpu time spent up to now is 54.4 secs Computing kpt #: 11 total cpu time spent up to now is 55.5 secs Computing kpt #: 12 total cpu time spent up to now is 56.7 secs Computing kpt #: 13 total cpu time spent up to now is 57.9 secs Computing kpt #: 14 total cpu time spent up to now is 59.0 secs Computing kpt #: 15 total cpu time spent up to now is 60.2 secs Computing kpt #: 16 total cpu time spent up to now is 61.3 secs Computing kpt #: 17 total cpu time spent up to now is 62.5 secs Computing kpt #: 18 total cpu time spent up to now is 63.6 secs Computing kpt #: 19 total cpu time spent up to now is 64.8 secs Computing kpt #: 20 total cpu time spent up to now is 66.1 secs Computing kpt #: 21 total cpu time spent up to now is 67.3 secs Computing kpt #: 22 total cpu time spent up to now is 68.4 secs Computing kpt #: 23 total cpu time spent up to now is 69.6 secs Computing kpt #: 24 total cpu time spent up to now is 70.7 secs Computing kpt #: 25 total cpu time spent up to now is 71.9 secs Computing kpt #: 26 total cpu time spent up to now is 73.1 secs Computing kpt #: 27 total cpu time spent up to now is 74.3 secs Computing kpt #: 28 total cpu time spent up to now is 75.6 secs Computing kpt #: 29 total cpu time spent up to now is 76.8 secs Computing kpt #: 30 total cpu time spent up to now is 78.0 secs Computing kpt #: 31 total cpu time spent up to now is 79.1 secs Computing kpt #: 32 total cpu time spent up to now is 80.3 secs Computing kpt #: 33 total cpu time spent up to now is 81.5 secs Computing kpt #: 34 total cpu time spent up to now is 82.6 secs Computing kpt #: 35 total cpu time spent up to now is 83.8 secs Computing kpt #: 36 total cpu time spent up to now is 85.0 secs Computing kpt #: 37 total cpu time spent up to now is 86.2 secs Computing kpt #: 38 total cpu time spent up to now is 87.4 secs Computing kpt #: 39 total cpu time spent up to now is 88.7 secs Computing kpt #: 40 total cpu time spent up to now is 89.9 secs Computing kpt #: 41 total cpu time spent up to now is 91.2 secs Computing kpt #: 42 total cpu time spent up to now is 92.4 secs Computing kpt #: 43 total cpu time spent up to now is 93.8 secs Computing kpt #: 44 total cpu time spent up to now is 95.1 secs Computing kpt #: 45 total cpu time spent up to now is 96.5 secs Computing kpt #: 46 total cpu time spent up to now is 97.8 secs Computing kpt #: 47 total cpu time spent up to now is 99.0 secs Computing kpt #: 48 total cpu time spent up to now is 100.3 secs Computing kpt #: 49 total cpu time spent up to now is 101.5 secs Computing kpt #: 50 total cpu time spent up to now is 102.8 secs Computing kpt #: 51 total cpu time spent up to now is 104.0 secs Computing kpt #: 52 total cpu time spent up to now is 105.2 secs Computing kpt #: 53 total cpu time spent up to now is 106.4 secs Computing kpt #: 54 total cpu time spent up to now is 107.6 secs Computing kpt #: 55 total cpu time spent up to now is 108.9 secs Computing kpt #: 56 total cpu time spent up to now is 110.1 secs Computing kpt #: 57 total cpu time spent up to now is 111.4 secs Computing kpt #: 58 total cpu time spent up to now is 112.6 secs Computing kpt #: 59 total cpu time spent up to now is 113.9 secs Computing kpt #: 60 total cpu time spent up to now is 115.2 secs Computing kpt #: 61 total cpu time spent up to now is 116.4 secs Computing kpt #: 62 total cpu time spent up to now is 117.7 secs Computing kpt #: 63 total cpu time spent up to now is 118.9 secs Computing kpt #: 64 total cpu time spent up to now is 120.2 secs Computing kpt #: 65 total cpu time spent up to now is 121.4 secs Computing kpt #: 66 total cpu time spent up to now is 122.7 secs Computing kpt #: 67 total cpu time spent up to now is 124.1 secs Computing kpt #: 68 total cpu time spent up to now is 125.4 secs Computing kpt #: 69 total cpu time spent up to now is 126.6 secs Computing kpt #: 70 total cpu time spent up to now is 127.8 secs Computing kpt #: 71 total cpu time spent up to now is 128.9 secs Computing kpt #: 72 total cpu time spent up to now is 130.0 secs Computing kpt #: 73 total cpu time spent up to now is 131.2 secs Computing kpt #: 74 total cpu time spent up to now is 132.3 secs Computing kpt #: 75 total cpu time spent up to now is 133.5 secs Computing kpt #: 76 total cpu time spent up to now is 134.6 secs Computing kpt #: 77 total cpu time spent up to now is 135.7 secs Computing kpt #: 78 total cpu time spent up to now is 136.8 secs Computing kpt #: 79 total cpu time spent up to now is 138.0 secs Computing kpt #: 80 total cpu time spent up to now is 139.1 secs Computing kpt #: 81 total cpu time spent up to now is 140.2 secs Computing kpt #: 82 total cpu time spent up to now is 141.3 secs Computing kpt #: 83 total cpu time spent up to now is 142.4 secs Computing kpt #: 84 total cpu time spent up to now is 143.5 secs Computing kpt #: 85 total cpu time spent up to now is 144.6 secs Computing kpt #: 86 total cpu time spent up to now is 145.8 secs Computing kpt #: 87 total cpu time spent up to now is 146.9 secs Computing kpt #: 88 total cpu time spent up to now is 148.0 secs Computing kpt #: 89 total cpu time spent up to now is 149.2 secs Computing kpt #: 90 total cpu time spent up to now is 150.3 secs Computing kpt #: 91 total cpu time spent up to now is 151.4 secs Computing kpt #: 92 total cpu time spent up to now is 152.6 secs Computing kpt #: 93 total cpu time spent up to now is 153.7 secs Computing kpt #: 94 total cpu time spent up to now is 154.8 secs Computing kpt #: 95 total cpu time spent up to now is 156.0 secs Computing kpt #: 96 total cpu time spent up to now is 157.1 secs Computing kpt #: 97 total cpu time spent up to now is 158.2 secs Computing kpt #: 98 total cpu time spent up to now is 159.3 secs Computing kpt #: 99 total cpu time spent up to now is 160.4 secs Computing kpt #: 100 total cpu time spent up to now is 161.5 secs Computing kpt #: 101 total cpu time spent up to now is 162.6 secs Computing kpt #: 102 total cpu time spent up to now is 163.7 secs Computing kpt #: 103 total cpu time spent up to now is 164.9 secs Computing kpt #: 104 total cpu time spent up to now is 166.0 secs Computing kpt #: 105 total cpu time spent up to now is 167.1 secs Computing kpt #: 106 total cpu time spent up to now is 168.3 secs Computing kpt #: 107 total cpu time spent up to now is 169.4 secs Computing kpt #: 108 total cpu time spent up to now is 170.5 secs Computing kpt #: 109 total cpu time spent up to now is 171.7 secs Computing kpt #: 110 total cpu time spent up to now is 172.8 secs Computing kpt #: 111 total cpu time spent up to now is 174.0 secs Computing kpt #: 112 total cpu time spent up to now is 175.2 secs Computing kpt #: 113 total cpu time spent up to now is 176.3 secs Computing kpt #: 114 total cpu time spent up to now is 177.4 secs Computing kpt #: 115 total cpu 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up to now is 196.4 secs Computing kpt #: 131 total cpu time spent up to now is 197.6 secs Computing kpt #: 132 total cpu time spent up to now is 198.8 secs Computing kpt #: 133 total cpu time spent up to now is 200.2 secs Computing kpt #: 134 total cpu time spent up to now is 202.2 secs Computing kpt #: 135 total cpu time spent up to now is 204.9 secs Computing kpt #: 136 total cpu time spent up to now is 206.4 secs Computing kpt #: 137 total cpu time spent up to now is 207.8 secs Computing kpt #: 138 total cpu time spent up to now is 209.3 secs Computing kpt #: 139 total cpu time spent up to now is 210.5 secs Computing kpt #: 140 total cpu time spent up to now is 211.7 secs Computing kpt #: 141 total cpu time spent up to now is 212.8 secs Computing kpt #: 142 total cpu time spent up to now is 213.9 secs Computing kpt #: 143 total cpu time spent up to now is 215.1 secs Computing kpt #: 144 total cpu time spent up to now is 216.3 secs Computing kpt #: 145 total cpu time spent up to now is 217.4 secs Computing kpt #: 146 total cpu time spent up to now is 218.5 secs Computing kpt #: 147 total cpu time spent up to now is 219.6 secs Computing kpt #: 148 total cpu time spent up to now is 220.8 secs Computing kpt #: 149 total cpu time spent up to now is 221.9 secs Computing kpt #: 150 total cpu time spent up to now is 222.9 secs Computing kpt #: 151 total cpu time spent up to now is 224.0 secs Computing kpt #: 152 total cpu time spent up to now is 225.1 secs Computing kpt #: 153 total cpu time spent up to now is 226.2 secs Computing kpt #: 154 total cpu time spent up to now is 227.3 secs Computing kpt #: 155 total cpu time spent up to now is 228.4 secs Computing kpt #: 156 total cpu time spent up to now is 229.5 secs Computing kpt #: 157 total cpu time spent up to now is 230.6 secs Computing kpt #: 158 total cpu time spent up to now is 231.7 secs Computing kpt #: 159 total cpu time spent up to now is 232.8 secs Computing kpt #: 160 total cpu time spent up to now is 233.8 secs Computing kpt #: 161 total cpu time spent up to now is 234.9 secs Computing kpt #: 162 total cpu time spent up to now is 236.0 secs Computing kpt #: 163 total cpu time spent up to now is 237.0 secs Computing kpt #: 164 total cpu time spent up to now is 238.1 secs Computing kpt #: 165 total cpu time spent up to now is 239.2 secs Computing kpt #: 166 total cpu time spent up to now is 240.3 secs Computing kpt #: 167 total cpu time spent up to now is 241.3 secs Computing kpt #: 168 total cpu time spent up to now is 242.3 secs Computing kpt #: 169 total cpu time spent up to now is 243.3 secs Computing kpt #: 170 total cpu time spent up to now is 244.2 secs Computing kpt #: 171 total cpu time spent up to now is 245.3 secs Computing kpt #: 172 total cpu time spent up to now is 246.2 secs Computing kpt #: 173 total cpu time spent up to now is 247.2 secs Computing kpt #: 174 total cpu time spent up to now is 248.2 secs Computing kpt #: 175 total cpu time spent up to now is 249.3 secs Computing kpt #: 176 total cpu time spent up to now is 250.3 secs Computing kpt #: 177 total cpu time spent up to now is 251.3 secs Computing kpt #: 178 total cpu time spent up to now is 252.3 secs Computing kpt #: 179 total cpu time spent up to now is 253.3 secs Computing kpt #: 180 total cpu time spent up to now is 254.3 secs Computing kpt #: 181 total cpu time spent up to now is 255.3 secs Computing kpt #: 182 total cpu time spent up to now is 256.3 secs Computing kpt #: 183 total cpu time spent up to now is 257.3 secs Computing kpt #: 184 total cpu time spent up to now is 258.3 secs Computing kpt #: 185 total cpu time spent up to now is 259.3 secs Computing kpt #: 186 total cpu time spent up to now is 260.4 secs Computing kpt #: 187 total cpu time spent up to now is 261.5 secs Computing kpt #: 188 total cpu time spent up to now is 262.5 secs Computing kpt #: 189 total cpu time spent up to now is 263.6 secs Computing kpt #: 190 total cpu time spent up to now is 264.7 secs Computing kpt #: 191 total cpu time spent up to now is 265.7 secs Computing kpt #: 192 total cpu time spent up to now is 266.7 secs Computing kpt #: 193 total cpu time spent up to now is 267.8 secs Computing kpt #: 194 total cpu time spent up to now is 269.0 secs Computing kpt #: 195 total cpu time spent up to now is 270.0 secs Computing kpt #: 196 total cpu time spent up to now is 271.1 secs Computing kpt #: 197 total cpu time spent up to now is 272.1 secs Computing kpt #: 198 total cpu time spent up to now is 273.1 secs Computing kpt #: 199 total cpu time spent up to now is 274.1 secs Computing kpt #: 200 total cpu time spent up to now is 275.0 secs Computing kpt #: 201 total cpu time spent up to now is 276.1 secs Computing kpt #: 202 total cpu time spent up to now is 277.0 secs Computing kpt #: 203 total cpu time spent up to now is 278.0 secs Computing kpt #: 204 total cpu time spent up to now is 278.9 secs Computing kpt #: 205 total cpu time spent up to now is 280.0 secs Computing kpt #: 206 total cpu time spent up to now is 281.0 secs Computing kpt #: 207 total cpu time spent up to now is 282.0 secs Computing kpt #: 208 total cpu time spent up to now is 283.0 secs Computing kpt #: 209 total cpu time spent up to now is 284.1 secs Computing kpt #: 210 total cpu time spent up to now is 285.4 secs Computing kpt #: 211 total cpu time spent up to now is 286.5 secs Computing kpt #: 212 total cpu time spent up to now is 287.5 secs Computing kpt #: 213 total cpu time spent up to now is 288.5 secs Computing kpt #: 214 total cpu time spent up to now is 289.6 secs Computing kpt #: 215 total cpu time spent up to now is 290.7 secs Computing kpt #: 216 total cpu time spent up to now is 291.7 secs Computing kpt #: 217 total cpu time spent up to now is 292.8 secs Computing kpt #: 218 total cpu time spent up to now is 293.9 secs Computing kpt #: 219 total cpu time spent up to now is 295.0 secs Computing kpt #: 220 total cpu time spent up to now is 297.6 secs Computing kpt #: 221 total cpu time spent up to now is 298.7 secs Computing kpt #: 222 total cpu time spent up to now is 299.8 secs Computing kpt #: 223 total cpu time spent up to now is 300.8 secs Computing kpt #: 224 total cpu time spent up to now is 301.9 secs Computing kpt #: 225 total cpu time spent up to now is 303.0 secs Computing kpt #: 226 total cpu time spent up to now is 304.2 secs Computing kpt #: 227 total cpu time spent up to now is 305.3 secs Computing kpt #: 228 total cpu time spent up to now is 306.4 secs Computing kpt #: 229 total cpu time spent up to now is 307.5 secs Computing kpt #: 230 total cpu time spent up to now is 308.6 secs Computing kpt #: 231 total cpu time spent up to now is 309.8 secs Computing kpt #: 232 total cpu time spent up to now is 310.9 secs Computing kpt #: 233 total cpu time spent up to now is 312.0 secs Computing kpt #: 234 total cpu time spent up to now is 313.2 secs Computing kpt #: 235 total cpu time spent up to now is 314.3 secs Computing kpt #: 236 total cpu time spent up to now is 315.5 secs Computing kpt #: 237 total cpu time spent up to now is 316.7 secs Computing kpt #: 238 total cpu time spent up to now is 317.8 secs Computing kpt #: 239 total cpu time spent up to now is 319.0 secs Computing kpt #: 240 total cpu time spent up to now is 320.2 secs Computing kpt #: 241 total cpu time spent up to now is 321.4 secs Computing kpt #: 242 total cpu time spent up to now is 322.6 secs Computing kpt #: 243 total cpu time spent up to now is 323.8 secs Computing kpt #: 244 total cpu time spent up to now is 324.9 secs Computing kpt #: 245 total cpu time spent up to now is 326.1 secs Computing kpt #: 246 total cpu time spent up to now is 327.2 secs Computing kpt #: 247 total cpu time spent up to now is 328.4 secs Computing kpt #: 248 total cpu time spent up to now is 329.6 secs Computing kpt #: 249 total cpu time spent up to now is 330.8 secs Computing kpt #: 250 total cpu time spent up to now is 331.9 secs Computing kpt #: 251 total cpu time spent up to now is 333.1 secs Computing kpt #: 252 total cpu time spent up to now is 334.3 secs Computing kpt #: 253 total cpu time spent up to now is 335.5 secs Computing kpt #: 254 total cpu time spent up to now is 336.7 secs Computing kpt #: 255 total cpu time spent up to now is 337.8 secs Computing kpt #: 256 total cpu time spent up to now is 338.9 secs Computing kpt #: 257 total cpu time spent up to now is 340.1 secs Computing kpt #: 258 total cpu time spent up to now is 341.4 secs Computing kpt #: 259 total cpu time spent up to now is 342.5 secs Computing kpt #: 260 total cpu time spent up to now is 343.7 secs Computing kpt #: 261 total cpu time spent up to now is 344.8 secs Computing kpt #: 262 total cpu time spent up to now is 346.0 secs Computing kpt #: 263 total cpu time spent up to now is 347.3 secs Computing kpt #: 264 total cpu time spent up to now is 348.5 secs Computing kpt #: 265 total cpu time spent up to now is 349.7 secs Computing kpt #: 266 total cpu time spent up to now is 350.8 secs Computing kpt #: 267 total cpu time spent up to now is 352.0 secs Computing kpt #: 268 total cpu time spent up to now is 353.3 secs Computing kpt #: 269 total cpu time spent up to now is 354.5 secs Computing kpt #: 270 total cpu time spent up to now is 355.6 secs Computing kpt #: 271 total cpu time spent up to now is 356.9 secs Computing kpt #: 272 total cpu time spent up to now is 358.0 secs Computing kpt #: 273 total cpu time spent up to now is 359.4 secs Computing kpt #: 274 total cpu time spent up to now is 360.5 secs Computing kpt #: 275 total cpu time spent up to now is 361.6 secs Computing kpt #: 276 total cpu time spent up to now is 362.7 secs Computing kpt #: 277 total cpu time spent up to now is 363.7 secs Computing kpt #: 278 total cpu time spent up to now is 364.8 secs Computing kpt #: 279 total cpu time spent up to now is 366.0 secs Computing kpt #: 280 total cpu time spent up to now is 367.0 secs Computing kpt #: 281 total cpu time spent up to now is 368.1 secs Computing kpt #: 282 total cpu time spent up to now is 369.2 secs Computing kpt #: 283 total cpu time spent up to now is 370.3 secs Computing kpt #: 284 total cpu time spent up to now is 371.4 secs Computing kpt #: 285 total cpu time spent up to now is 372.5 secs Computing kpt #: 286 total cpu time spent up to now is 373.5 secs Computing kpt #: 287 total cpu time spent up to now is 374.8 secs Computing kpt #: 288 total cpu time spent up to now is 375.9 secs Computing kpt #: 289 total cpu time spent up to now is 377.1 secs Computing kpt #: 290 total cpu time spent up to now is 378.2 secs Computing kpt #: 291 total cpu time spent up to now is 379.3 secs Computing kpt #: 292 total cpu time spent up to now is 380.4 secs Computing kpt #: 293 total cpu time spent up to now is 381.5 secs Computing kpt #: 294 total cpu time spent up to now is 382.6 secs Computing kpt #: 295 total cpu time spent up to now is 384.7 secs Computing kpt #: 296 total cpu time spent up to now is 385.7 secs Computing kpt #: 297 total cpu time spent up to now is 386.8 secs Computing kpt #: 298 total cpu time spent up to now is 387.9 secs Computing kpt #: 299 total cpu time spent up to now is 389.0 secs Computing kpt #: 300 total cpu time spent up to now is 390.5 secs Computing kpt #: 301 total cpu time spent up to now is 391.5 secs Computing kpt #: 302 total cpu time spent up to now is 392.6 secs Computing kpt #: 303 total cpu time spent up to now is 393.7 secs Computing kpt #: 304 total cpu time spent up to now is 395.0 secs Computing kpt #: 305 total cpu time spent up to now is 396.1 secs Computing kpt #: 306 total cpu time spent up to now is 397.2 secs Computing kpt #: 307 total cpu time spent up to now is 398.4 secs Computing kpt #: 308 total cpu time spent up to now is 399.5 secs Computing kpt #: 309 total cpu time spent up to now is 400.7 secs Computing kpt #: 310 total cpu time spent up to now is 401.9 secs Computing kpt #: 311 total cpu time spent up to now is 403.0 secs Computing kpt #: 312 total cpu time spent up to now is 404.2 secs Computing kpt #: 313 total cpu time spent up to now is 405.3 secs Computing kpt #: 314 total cpu time spent up to now is 406.5 secs Computing kpt #: 315 total cpu time spent up to now is 407.7 secs Computing kpt #: 316 total cpu time spent up to now is 408.9 secs Computing kpt #: 317 total cpu time spent up to now is 410.0 secs Computing kpt #: 318 total cpu time spent up to now is 411.1 secs Computing kpt #: 319 total cpu time spent up to now is 412.3 secs Computing kpt #: 320 total cpu time spent up to now is 413.4 secs Computing kpt #: 321 total cpu time spent up to now is 414.5 secs Computing kpt #: 322 total cpu time spent up to now is 415.8 secs Computing kpt #: 323 total cpu time spent up to now is 417.0 secs Computing kpt #: 324 total cpu time spent up to now is 418.2 secs Computing kpt #: 325 total cpu time spent up to now is 419.3 secs Computing kpt #: 326 total cpu time spent up to now is 420.4 secs Computing kpt #: 327 total cpu time spent up to now is 421.5 secs Computing kpt #: 328 total cpu time spent up to now is 422.6 secs Computing kpt #: 329 total cpu time spent up to now is 423.7 secs Computing kpt #: 330 total cpu time spent up to now is 424.8 secs Computing kpt #: 331 total cpu time spent up to now is 425.9 secs Computing kpt #: 332 total cpu time spent up to now is 426.9 secs Computing kpt #: 333 total cpu time spent up to now is 428.0 secs Computing kpt #: 334 total cpu time spent up to now is 429.0 secs Computing kpt #: 335 total cpu time spent up to now is 430.2 secs Computing kpt #: 336 total cpu time spent up to now is 431.3 secs Computing kpt #: 337 total cpu time spent up to now is 432.3 secs Computing kpt #: 338 total cpu time spent up to now is 433.4 secs Computing kpt #: 339 total cpu time spent up to now is 434.4 secs Computing kpt #: 340 total cpu time spent up to now is 435.3 secs Computing kpt #: 341 total cpu time spent up to now is 436.4 secs Computing kpt #: 342 total cpu time spent up to now is 437.4 secs Computing kpt #: 343 total cpu time spent up to now is 438.5 secs Computing kpt #: 344 total cpu time spent up to now is 439.5 secs Computing kpt #: 345 total cpu time spent up to now is 440.5 secs Computing kpt #: 346 total cpu time spent up to now is 441.4 secs Computing kpt #: 347 total cpu time spent up to now is 442.4 secs Computing kpt #: 348 total cpu time spent up to now is 443.4 secs Computing kpt #: 349 total cpu time spent up to now is 444.6 secs Computing kpt #: 350 total cpu time spent up to now is 445.5 secs Computing kpt #: 351 total cpu time spent up to now is 446.4 secs Computing kpt #: 352 total cpu time spent up to now is 447.4 secs Computing kpt #: 353 total cpu time spent up to now is 448.4 secs Computing kpt #: 354 total cpu time spent up to now is 449.4 secs Computing kpt #: 355 total cpu time spent up to now is 450.6 secs Computing kpt #: 356 total cpu time spent up to now is 451.9 secs Computing kpt #: 357 total cpu time spent up to now is 453.1 secs Computing kpt #: 358 total cpu time spent up to now is 454.5 secs Computing kpt #: 359 total cpu time spent up to now is 455.7 secs Computing kpt #: 360 total cpu time spent up to now is 456.9 secs Computing kpt #: 361 total cpu time spent up to now is 458.1 secs Computing kpt #: 362 total cpu time spent up to now is 459.3 secs Computing kpt #: 363 total cpu time spent up to now is 460.5 secs Computing kpt #: 364 total cpu time spent up to now is 461.6 secs Computing kpt #: 365 total cpu time spent up to now is 462.8 secs Computing kpt #: 366 total cpu time spent up to now is 463.9 secs Computing kpt #: 367 total cpu time spent up to now is 465.0 secs Computing kpt #: 368 total cpu time spent up to now is 466.2 secs Computing kpt #: 369 total cpu time spent up to now is 467.3 secs Computing kpt #: 370 total cpu time spent up to now is 468.4 secs Computing kpt #: 371 total cpu time spent up to now is 469.6 secs Computing kpt #: 372 total cpu time spent up to now is 470.7 secs Computing kpt #: 373 total cpu time spent up to now is 471.8 secs Computing kpt #: 374 total cpu time spent up to now is 473.0 secs Computing kpt #: 375 total cpu time spent up to now is 474.1 secs Computing kpt #: 376 total cpu time spent up to now is 475.2 secs Computing kpt #: 377 total cpu time spent up to now is 476.2 secs Computing kpt #: 378 total cpu time spent up to now is 477.3 secs Computing kpt #: 379 total cpu time spent up to now is 478.5 secs ethr = 3.13E-11, avg # of iterations = 34.2 total cpu time spent up to now is 478.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.4119 -18.4119 -15.0390 -15.0390 -15.0333 -15.0333 -14.8234 -14.8234 -7.9653 -7.9653 -4.2026 -4.2026 -4.1962 -4.1962 -3.5592 -3.5592 -0.4455 -0.4455 0.5410 0.5410 1.3072 1.3072 1.5804 1.5804 1.6041 1.6041 1.7249 1.7249 2.6445 2.6445 2.6540 2.6540 10.5089 10.5089 11.5621 11.5621 13.8165 13.8165 13.8443 13.8443 k = 0.0000 0.0000 0.0144 ( 2305 PWs) bands (ev): -18.4113 -18.4113 -15.0397 -15.0396 -15.0339 -15.0339 -14.8236 -14.8235 -7.9640 -7.9640 -4.2031 -4.2027 -4.1963 -4.1962 -3.5583 -3.5577 -0.4462 -0.4459 0.5415 0.5416 1.3068 1.3072 1.5797 1.5798 1.6034 1.6036 1.7240 1.7240 2.6445 2.6446 2.6538 2.6542 10.5116 10.5116 11.5632 11.5638 13.8153 13.8157 13.8433 13.8435 k = 0.0000 0.0000 0.0288 ( 2305 PWs) bands (ev): -18.4096 -18.4096 -15.0421 -15.0418 -15.0352 -15.0351 -14.8242 -14.8238 -7.9603 -7.9603 -4.2057 -4.2048 -4.1952 -4.1947 -3.5552 -3.5541 -0.4482 -0.4475 0.5431 0.5433 1.3061 1.3068 1.5779 1.5782 1.6019 1.6021 1.7212 1.7213 2.6446 2.6449 2.6539 2.6546 10.5196 10.5196 11.5672 11.5684 13.8122 13.8129 13.8405 13.8410 k = 0.0000 0.0000 0.0432 ( 2309 PWs) bands (ev): -18.4068 -18.4068 -15.0469 -15.0464 -15.0364 -15.0362 -14.8250 -14.8245 -7.9541 -7.9540 -4.2112 -4.2099 -4.1917 -4.1910 -3.5499 -3.5482 -0.4513 -0.4503 0.5458 0.5461 1.3047 1.3059 1.5744 1.5750 1.5998 1.6002 1.7166 1.7168 2.6446 2.6451 2.6542 2.6553 10.5329 10.5329 11.5741 11.5759 13.8066 13.8076 13.8363 13.8372 k = 0.0000 0.0000 0.0577 ( 2315 PWs) bands (ev): -18.4029 -18.4029 -15.0541 -15.0535 -15.0375 -15.0372 -14.8261 -14.8255 -7.9454 -7.9453 -4.2193 -4.2175 -4.1862 -4.1853 -3.5425 -3.5403 -0.4556 -0.4543 0.5495 0.5499 1.3025 1.3041 1.5688 1.5702 1.5979 1.5983 1.7101 1.7108 2.6446 2.6454 2.6548 2.6563 10.5513 10.5514 11.5837 11.5861 13.7982 13.7994 13.8316 13.8329 k = 0.0000 0.0000 0.0721 ( 2315 PWs) bands (ev): -18.3979 -18.3979 -15.0636 -15.0629 -15.0387 -15.0383 -14.8276 -14.8268 -7.9342 -7.9342 -4.2295 -4.2274 -4.1789 -4.1778 -3.5332 -3.5304 -0.4611 -0.4594 0.5544 0.5549 1.2989 1.3010 1.5610 1.5634 1.5963 1.5971 1.7021 1.7034 2.6444 2.6454 2.6560 2.6578 10.5750 10.5750 11.5960 11.5991 13.7866 13.7879 13.8267 13.8285 k = 0.0000 0.0000 0.0865 ( 2319 PWs) bands (ev): -18.3918 -18.3918 -15.0751 -15.0743 -15.0400 -15.0395 -14.8293 -14.8284 -7.9206 -7.9206 -4.2417 -4.2393 -4.1699 -4.1686 -3.5220 -3.5188 -0.4677 -0.4657 0.5604 0.5610 1.2935 1.2962 1.5513 1.5549 1.5951 1.5966 1.6927 1.6951 2.6440 2.6453 2.6576 2.6598 10.6036 10.6037 11.6110 11.6146 13.7717 13.7732 13.8218 13.8242 k = 0.0000 0.0000 0.1009 ( 2319 PWs) bands (ev): -18.3846 -18.3846 -15.0886 -15.0878 -15.0414 -15.0408 -14.8314 -14.8304 -7.9047 -7.9046 -4.2556 -4.2530 -4.1593 -4.1578 -3.5092 -3.5055 -0.4755 -0.4731 0.5674 0.5682 1.2857 1.2890 1.5399 1.5451 1.5938 1.5970 1.6825 1.6865 2.6434 2.6450 2.6598 2.6623 10.6371 10.6372 11.6285 11.6328 13.7538 13.7554 13.8172 13.8202 k = 0.0000 0.0000 0.1153 ( 2313 PWs) bands (ev): -18.3763 -18.3763 -15.1041 -15.1032 -15.0430 -15.0423 -14.8339 -14.8327 -7.8864 -7.8863 -4.2713 -4.2684 -4.1471 -4.1453 -3.4948 -3.4907 -0.4843 -0.4817 0.5756 0.5764 1.2750 1.2788 1.5272 1.5342 1.5919 1.5976 1.6723 1.6785 2.6426 2.6446 2.6625 2.6652 10.6753 10.6754 11.6485 11.6534 13.7333 13.7350 13.8128 13.8164 k = 0.0000 0.0000 0.1297 ( 2315 PWs) bands (ev): -18.3669 -18.3669 -15.1215 -15.1206 -15.0448 -15.0440 -14.8366 -14.8354 -7.8658 -7.8657 -4.2885 -4.2854 -4.1333 -4.1313 -3.4791 -3.4746 -0.4943 -0.4913 0.5849 0.5858 1.2608 1.2651 1.5133 1.5222 1.5884 1.5977 1.6635 1.6727 2.6418 2.6440 2.6656 2.6686 10.7181 10.7182 11.6706 11.6762 13.7103 13.7121 13.8086 13.8129 k = 0.0000 0.0000 0.1441 ( 2313 PWs) bands (ev): -18.3565 -18.3564 -15.1407 -15.1397 -15.0467 -15.0458 -14.8397 -14.8384 -7.8429 -7.8428 -4.3070 -4.3038 -4.1180 -4.1158 -3.4622 -3.4574 -0.5053 -0.5020 0.5952 0.5963 1.2428 1.2476 1.4981 1.5090 1.5824 1.5957 1.6585 1.6704 2.6408 2.6433 2.6691 2.6724 10.7652 10.7654 11.6950 11.7012 13.6851 13.6870 13.8049 13.8098 k = 0.0000 0.0000 0.1586 ( 2317 PWs) bands (ev): -18.3449 -18.3449 -15.1616 -15.1607 -15.0488 -15.0478 -14.8432 -14.8418 -7.8178 -7.8177 -4.3268 -4.3235 -4.1012 -4.0987 -3.4442 -3.4391 -0.5173 -0.5136 0.6066 0.6077 1.2210 1.2261 1.4814 1.4941 1.5737 1.5900 1.6591 1.6728 2.6399 2.6426 2.6730 2.6766 10.8165 10.8167 11.7212 11.7281 13.6580 13.6600 13.8018 13.8073 k = 0.0000 0.0000 0.1730 ( 2317 PWs) bands (ev): -18.3323 -18.3323 -15.1843 -15.1833 -15.0510 -15.0500 -14.8469 -14.8455 -7.7906 -7.7905 -4.3478 -4.3443 -4.0829 -4.0802 -3.4253 -3.4199 -0.5302 -0.5262 0.6190 0.6203 1.1954 1.2006 1.4627 1.4769 1.5631 1.5810 1.6657 1.6796 2.6388 2.6419 2.6773 2.6811 10.8717 10.8719 11.7493 11.7568 13.6293 13.6313 13.7994 13.8056 k = 0.0000 0.0000 0.1874 ( 2321 PWs) bands (ev): -18.3187 -18.3187 -15.2086 -15.2076 -15.0534 -15.0522 -14.8510 -14.8495 -7.7613 -7.7612 -4.3699 -4.3663 -4.0631 -4.0603 -3.4057 -3.4000 -0.5440 -0.5397 0.6324 0.6337 1.1663 1.1714 1.4417 1.4569 1.5517 1.5702 1.6769 1.6905 2.6378 2.6411 2.6818 2.6859 10.9306 10.9308 11.7789 11.7871 13.5990 13.6011 13.7979 13.8048 k = 0.0000 0.0000 0.2018 ( 2321 PWs) bands (ev): -18.3040 -18.3040 -15.2344 -15.2335 -15.0559 -15.0546 -14.8554 -14.8538 -7.7300 -7.7299 -4.3929 -4.3893 -4.0420 -4.0389 -3.3853 -3.3793 -0.5586 -0.5539 0.6467 0.6481 1.1339 1.1388 1.4184 1.4339 1.5405 1.5588 1.6917 1.7047 2.6367 2.6403 2.6866 2.6910 10.9928 10.9931 11.8099 11.8188 13.5676 13.5698 13.7976 13.8052 k = 0.0000 0.0000 0.2162 ( 2325 PWs) bands (ev): -18.2884 -18.2883 -15.2618 -15.2608 -15.0585 -15.0572 -14.8600 -14.8584 -7.6968 -7.6966 -4.4169 -4.4133 -4.0195 -4.0162 -3.3644 -3.3582 -0.5738 -0.5689 0.6618 0.6633 1.0986 1.1031 1.3925 1.4077 1.5297 1.5475 1.7094 1.7217 2.6355 2.6394 2.6917 2.6964 11.0583 11.0586 11.8421 11.8517 13.5353 13.5374 13.7987 13.8070 k = 0.0000 0.0000 0.2306 ( 2329 PWs) bands (ev): -18.2717 -18.2716 -15.2905 -15.2896 -15.0612 -15.0598 -14.8650 -14.8632 -7.6616 -7.6615 -4.4418 -4.4381 -3.9958 -3.9923 -3.3430 -3.3366 -0.5897 -0.5845 0.6776 0.6793 1.0607 1.0647 1.3642 1.3788 1.5196 1.5366 1.7293 1.7411 2.6343 2.6385 2.6970 2.7019 11.1266 11.1270 11.8752 11.8856 13.5021 13.5043 13.8013 13.8104 k = 0.0000 0.0000 0.2450 ( 2327 PWs) bands (ev): -18.2540 -18.2540 -15.3207 -15.3198 -15.0640 -15.0625 -14.8702 -14.8684 -7.6246 -7.6245 -4.4676 -4.4639 -3.9708 -3.9671 -3.3213 -3.3146 -0.6061 -0.6006 0.6940 0.6958 1.0206 1.0241 1.3337 1.3475 1.5101 1.5261 1.7513 1.7626 2.6331 2.6375 2.7024 2.7076 11.1975 11.1980 11.9092 11.9203 13.4684 13.4706 13.8056 13.8155 k = 0.0000 0.0000 0.2595 ( 2323 PWs) bands (ev): -18.2354 -18.2354 -15.3521 -15.3512 -15.0668 -15.0653 -14.8756 -14.8737 -7.5859 -7.5858 -4.4941 -4.4904 -3.9447 -3.9407 -3.2993 -3.2924 -0.6229 -0.6171 0.7109 0.7128 0.9786 0.9814 1.3012 1.3140 1.5011 1.5161 1.7749 1.7859 2.6317 2.6363 2.7080 2.7134 11.2707 11.2713 11.9438 11.9556 13.4344 13.4365 13.8117 13.8224 k = 0.0000 0.0000 0.2739 ( 2331 PWs) bands (ev): -18.2159 -18.2158 -15.3847 -15.3838 -15.0697 -15.0681 -14.8812 -14.8793 -7.5456 -7.5454 -4.5214 -4.5177 -3.9174 -3.9133 -3.2772 -3.2701 -0.6399 -0.6338 0.7281 0.7301 0.9350 0.9372 1.2669 1.2787 1.4926 1.5066 1.8000 1.8107 2.6302 2.6351 2.7137 2.7194 11.3458 11.3465 11.9788 11.9913 13.4003 13.4024 13.8198 13.8313 k = 0.0000 0.0000 0.2883 ( 2331 PWs) bands (ev): -18.1954 -18.1953 -15.4184 -15.4176 -15.0727 -15.0710 -14.8871 -14.8851 -7.5036 -7.5035 -4.5494 -4.5458 -3.8892 -3.8848 -3.2550 -3.2477 -0.6571 -0.6507 0.7454 0.7476 0.8901 0.8916 1.2311 1.2419 1.4846 1.4977 1.8263 1.8368 2.6285 2.6337 2.7194 2.7253 11.4226 11.4234 12.0141 12.0273 13.3663 13.3683 13.8300 13.8422 k = 0.0000 0.0000 0.3027 ( 2327 PWs) bands (ev): -18.1740 -18.1739 -15.4532 -15.4524 -15.0757 -15.0739 -14.8931 -14.8911 -7.4601 -7.4600 -4.5782 -4.5746 -3.8599 -3.8554 -3.2329 -3.2254 -0.6743 -0.6676 0.7624 0.7648 0.8442 0.8451 1.1939 1.2039 1.4772 1.4895 1.8536 1.8641 2.6267 2.6321 2.7252 2.7313 11.5007 11.5016 12.0495 12.0634 13.3325 13.3345 13.8423 13.8553 k = 0.0000 0.0000 0.3171 ( 2327 PWs) bands (ev): -18.1518 -18.1517 -15.4889 -15.4882 -15.0787 -15.0768 -14.8992 -14.8972 -7.4152 -7.4151 -4.6077 -4.6041 -3.8298 -3.8251 -3.2110 -3.2033 -0.6913 -0.6844 0.7777 0.7808 0.7981 0.7995 1.1556 1.1648 1.4706 1.4822 1.8818 1.8922 2.6247 2.6303 2.7309 2.7373 11.5796 11.5807 12.0850 12.0995 13.2993 13.3012 13.8566 13.8704 k = 0.0000 0.0000 0.3315 ( 2323 PWs) bands (ev): -18.1287 -18.1286 -15.5255 -15.5248 -15.0816 -15.0797 -14.9055 -14.9034 -7.3690 -7.3688 -4.6379 -4.6343 -3.7989 -3.7940 -3.1892 -3.1814 -0.7081 -0.7009 0.7485 0.7490 0.7969 0.7987 1.1163 1.1250 1.4649 1.4758 1.9107 1.9211 2.6224 2.6283 2.7366 2.7432 11.6591 11.6604 12.1206 12.1355 13.2666 13.2685 13.8729 13.8874 k = 0.0000 0.0000 0.3459 ( 2327 PWs) bands (ev): -18.1048 -18.1047 -15.5630 -15.5623 -15.0846 -15.0827 -14.9119 -14.9098 -7.3214 -7.3213 -4.6688 -4.6653 -3.7674 -3.7622 -3.1679 -3.1599 -0.7244 -0.7170 0.7002 0.7018 0.8115 0.8137 1.0764 1.0847 1.4604 1.4706 1.9401 1.9506 2.6198 2.6260 2.7422 2.7489 11.7386 11.7401 12.1561 12.1716 13.2348 13.2366 13.8911 13.9063 k = 0.0000 0.0000 0.3604 ( 2335 PWs) bands (ev): -18.0801 -18.0801 -15.6012 -15.6005 -15.0876 -15.0856 -14.9184 -14.9162 -7.2727 -7.2725 -4.7004 -4.6970 -3.7352 -3.7298 -3.1470 -3.1388 -0.7402 -0.7325 0.6516 0.6540 0.8251 0.8275 1.0360 1.0441 1.4573 1.4669 1.9698 1.9804 2.6170 2.6234 2.7477 2.7546 11.8177 11.8194 12.1917 12.2076 13.2040 13.2058 13.9109 13.9268 k = 0.0000 0.0000 0.3748 ( 2339 PWs) bands (ev): -18.0548 -18.0547 -15.6399 -15.6393 -15.0905 -15.0884 -14.9250 -14.9227 -7.2228 -7.2227 -4.7327 -4.7293 -3.7025 -3.6969 -3.1267 -3.1183 -0.7552 -0.7473 0.6028 0.6061 0.8368 0.8395 0.9955 1.0037 1.4559 1.4650 1.9998 2.0106 2.6139 2.6205 2.7529 2.7600 11.8958 11.8978 12.2275 12.2438 13.1744 13.1760 13.9320 13.9486 k = 0.0000 0.0000 0.3892 ( 2331 PWs) bands (ev): -18.0287 -18.0286 -15.6793 -15.6787 -15.0933 -15.0912 -14.9315 -14.9292 -7.1719 -7.1718 -4.7657 -4.7624 -3.6693 -3.6635 -3.1070 -3.0985 -0.7694 -0.7612 0.5541 0.5583 0.8458 0.8491 0.9554 0.9641 1.4565 1.4651 2.0298 2.0408 2.6105 2.6174 2.7580 2.7652 11.9723 11.9747 12.2639 12.2804 13.1460 13.1477 13.9543 13.9714 k = 0.0000 0.0000 0.4036 ( 2327 PWs) bands (ev): -18.0020 -18.0019 -15.7190 -15.7185 -15.0961 -15.0939 -14.9381 -14.9358 -7.1201 -7.1199 -4.7994 -4.7962 -3.6359 -3.6299 -3.0881 -3.0795 -0.7825 -0.7740 0.5055 0.5107 0.8505 0.8550 0.9168 0.9267 1.4594 1.4674 2.0596 2.0709 2.6069 2.6140 2.7628 2.7701 12.0466 12.0493 12.3011 12.3177 13.1192 13.1207 13.9772 13.9948 k = 0.0000 0.0000 0.4180 ( 2325 PWs) bands (ev): -17.9747 -17.9746 -15.7592 -15.7586 -15.0987 -15.0966 -14.9447 -14.9424 -7.0674 -7.0672 -4.8339 -4.8308 -3.6023 -3.5961 -3.0700 -3.0613 -0.7944 -0.7857 0.4572 0.4633 0.8458 0.8516 0.8858 0.8963 1.4648 1.4723 2.0892 2.1007 2.6029 2.6104 2.7673 2.7747 12.1176 12.1208 12.3397 12.3560 13.0938 13.0954 14.0002 14.0183 k = 0.0000 0.0000 0.4324 ( 2321 PWs) bands (ev): -17.9468 -17.9468 -15.7995 -15.7990 -15.1013 -15.0991 -14.9512 -14.9489 -7.0138 -7.0136 -4.8691 -4.8660 -3.5686 -3.5622 -3.0529 -3.0440 -0.8049 -0.7960 0.4091 0.4162 0.8222 0.8270 0.8751 0.8814 1.4728 1.4797 2.1183 2.1301 2.5987 2.6065 2.7715 2.7790 12.1844 12.1881 12.3803 12.3961 13.0702 13.0718 14.0229 14.0414 k = 0.0000 0.0000 0.4468 ( 2321 PWs) bands (ev): -17.9185 -17.9185 -15.8401 -15.8396 -15.1038 -15.1016 -14.9577 -14.9553 -6.9596 -6.9594 -4.9050 -4.9021 -3.5349 -3.5284 -3.0368 -3.0279 -0.8140 -0.8049 0.3614 0.3693 0.7874 0.7932 0.8721 0.8756 1.4834 1.4899 2.1467 2.1588 2.5944 2.6025 2.7752 2.7828 12.2460 12.2504 12.4237 12.4384 13.0485 13.0501 14.0446 14.0634 k = 0.0000 0.0000 0.4613 ( 2329 PWs) bands (ev): -17.8898 -17.8898 -15.8807 -15.8802 -15.1062 -15.1039 -14.9641 -14.9617 -6.9047 -6.9045 -4.9417 -4.9389 -3.5014 -3.4947 -3.0218 -3.0128 -0.8214 -0.8121 0.3139 0.3227 0.7513 0.7581 0.8681 0.8703 1.4967 1.5027 2.1742 2.1867 2.5900 2.5984 2.7786 2.7862 12.3014 12.3069 12.4703 12.4834 13.0287 13.0303 14.0648 14.0839 k = 0.0000 0.0000 0.4757 ( 2329 PWs) bands (ev): -17.8608 -17.8607 -15.9211 -15.9207 -15.1084 -15.1062 -14.9704 -14.9680 -6.8492 -6.8491 -4.9792 -4.9765 -3.4681 -3.4612 -3.0081 -2.9990 -0.8271 -0.8175 0.2667 0.2764 0.7160 0.7237 0.8619 0.8634 1.5124 1.5179 2.2006 2.2135 2.5857 2.5945 2.7815 2.7892 12.3509 12.3575 12.5196 12.5309 13.0109 13.0127 14.0829 14.1021 k = 0.0000 0.0000 0.4901 ( 2329 PWs) bands (ev): -17.8316 -17.8315 -15.9614 -15.9610 -15.1105 -15.1083 -14.9765 -14.9742 -6.7933 -6.7931 -5.0175 -5.0149 -3.4353 -3.4282 -2.9956 -2.9864 -0.8308 -0.8210 0.2196 0.2301 0.6824 0.6908 0.8533 0.8545 1.5303 1.5354 2.2255 2.2388 2.5817 2.5908 2.7839 2.7916 12.3950 12.4028 12.5704 12.5799 12.9954 12.9973 14.0981 14.1174 k = 0.0000 0.0000 0.5045 ( 2319 PWs) bands (ev): -17.8022 -17.8021 -16.0014 -16.0010 -15.1124 -15.1102 -14.9825 -14.9802 -6.7370 -6.7368 -5.0565 -5.0540 -3.4029 -3.3956 -2.9844 -2.9752 -0.8325 -0.8225 0.1728 0.1840 0.6509 0.6599 0.8424 0.8434 1.5501 1.5548 2.2488 2.2623 2.5783 2.5876 2.7858 2.7935 12.4349 12.4437 12.6213 12.6293 12.9821 12.9843 14.1099 14.1291 k = 0.0000 0.0000 0.5189 ( 2323 PWs) bands (ev): -17.7728 -17.7728 -16.0409 -16.0405 -15.1142 -15.1120 -14.9883 -14.9860 -6.6804 -6.6802 -5.0964 -5.0940 -3.3711 -3.3637 -2.9746 -2.9653 -0.8320 -0.8218 0.1260 0.1379 0.6218 0.6313 0.8293 0.8305 1.5715 1.5759 2.2699 2.2837 2.5757 2.5853 2.7870 2.7947 12.4718 12.4812 12.6709 12.6775 12.9713 12.9737 14.1177 14.1368 k = 0.0000 0.0000 0.5333 ( 2314 PWs) bands (ev): -17.7436 -17.7435 -16.0797 -16.0794 -15.1158 -15.1137 -14.9939 -14.9917 -6.6236 -6.6234 -5.1371 -5.1348 -3.3400 -3.3325 -2.9663 -2.9569 -0.8293 -0.8189 0.0793 0.0918 0.5954 0.6053 0.8144 0.8159 1.5943 1.5983 2.2885 2.3024 2.5745 2.5841 2.7877 2.7953 12.5062 12.5160 12.7181 12.7237 12.9629 12.9656 14.1211 14.1399 k = 0.0000 0.0000 0.5477 ( 2314 PWs) bands (ev): -17.7146 -17.7145 -16.1177 -16.1174 -15.1173 -15.1152 -14.9993 -14.9971 -6.5666 -6.5664 -5.1785 -5.1764 -3.3098 -3.3021 -2.9594 -2.9500 -0.8242 -0.8137 0.0327 0.0456 0.5719 0.5821 0.7981 0.7998 1.6179 1.6217 2.3043 2.3180 2.5750 2.5845 2.7877 2.7953 12.5387 12.5485 12.7620 12.7670 12.9570 12.9600 14.1196 14.1380 k = 0.0000 0.0000 0.5622 ( 2318 PWs) bands (ev): -17.6861 -17.6860 -16.1547 -16.1544 -15.1186 -15.1166 -15.0044 -15.0023 -6.5097 -6.5095 -5.2208 -5.2187 -3.2805 -3.2727 -2.9539 -2.9446 -0.8167 -0.8060 -0.0139 -0.0007 0.5515 0.5618 0.7805 0.7826 1.6421 1.6456 2.3168 2.3300 2.5776 2.5867 2.7870 2.7945 12.5693 12.5789 12.8024 12.8069 12.9538 12.9571 14.1133 14.1312 k = 0.0000 0.0000 0.5766 ( 2326 PWs) bands (ev): -17.6582 -17.6581 -16.1905 -16.1902 -15.1198 -15.1179 -15.0092 -15.0072 -6.4528 -6.4526 -5.2638 -5.2619 -3.2522 -3.2443 -2.9500 -2.9407 -0.8068 -0.7959 -0.0604 -0.0469 0.5341 0.5445 0.7619 0.7644 1.6666 1.6699 2.3258 2.3383 2.5827 2.5911 2.7855 2.7930 12.5981 12.6073 12.8389 12.8432 12.9531 12.9568 14.1023 14.1195 k = 0.0000 0.0000 0.5910 ( 2324 PWs) bands (ev): -17.6311 -17.6310 -16.2248 -16.2245 -15.1208 -15.1190 -15.0137 -15.0118 -6.3961 -6.3958 -5.3076 -5.3057 -3.2250 -3.2170 -2.9475 -2.9382 -0.7943 -0.7832 -0.1068 -0.0931 0.5200 0.5302 0.7428 0.7455 1.6910 1.6940 2.3314 2.3429 2.5901 2.5977 2.7833 2.7907 12.6249 12.6335 12.8716 12.8757 12.9551 12.9590 14.0871 14.1035 k = 0.0000 0.0000 0.6054 ( 2328 PWs) bands (ev): -17.6051 -17.6051 -16.2574 -16.2571 -15.1217 -15.1199 -15.0179 -15.0161 -6.3397 -6.3395 -5.3520 -5.3503 -3.1990 -3.1910 -2.9465 -2.9373 -0.7793 -0.7680 -0.1529 -0.1391 0.5089 0.5190 0.7232 0.7263 1.7150 1.7178 2.3338 2.3442 2.5997 2.6062 2.7804 2.7876 12.6494 12.6574 12.9005 12.9045 12.9595 12.9635 14.0682 14.0837 k = 0.0000 0.0000 0.6198 ( 2332 PWs) bands (ev): -17.5806 -17.5805 -16.2879 -16.2877 -15.1224 -15.1208 -15.0217 -15.0200 -6.2839 -6.2836 -5.3970 -5.3954 -3.1744 -3.1663 -2.9469 -2.9378 -0.7617 -0.7503 -0.1986 -0.1849 0.5009 0.5107 0.7036 0.7070 1.7381 1.7407 2.3335 2.3425 2.6110 2.6166 2.7766 2.7836 12.6716 12.6787 12.9258 12.9296 12.9662 12.9701 14.0466 14.0610 k = 0.0000 0.0000 0.6342 ( 2336 PWs) bands (ev): -17.5577 -17.5576 -16.3161 -16.3159 -15.1230 -15.1215 -15.0251 -15.0236 -6.2287 -6.2284 -5.4424 -5.4409 -3.1511 -3.1430 -2.9487 -2.9397 -0.7417 -0.7300 -0.2439 -0.2301 0.4958 0.5052 0.6841 0.6878 1.7601 1.7625 2.3310 2.3388 2.6235 2.6282 2.7720 2.7788 12.6911 12.6973 12.9474 12.9507 12.9753 12.9786 14.0233 14.0365 k = 0.0000 0.0000 0.6486 ( 2332 PWs) bands (ev): -17.5368 -17.5367 -16.3416 -16.3414 -15.1234 -15.1221 -15.0281 -15.0268 -6.1745 -6.1741 -5.4881 -5.4867 -3.1292 -3.1212 -2.9518 -2.9430 -0.7191 -0.7073 -0.2885 -0.2748 0.4934 0.5023 0.6652 0.6691 1.7806 1.7826 2.3270 2.3336 2.6366 2.6408 2.7666 2.7732 12.7079 12.7133 12.9644 12.9671 12.9869 12.9900 13.9997 14.0115 k = 0.0000 0.0000 0.6631 ( 2332 PWs) bands (ev): -17.5183 -17.5182 -16.3640 -16.3639 -15.1237 -15.1226 -15.0307 -15.0295 -6.1217 -6.1213 -5.5335 -5.5323 -3.1090 -3.1012 -2.9560 -2.9475 -0.6941 -0.6822 -0.3323 -0.3188 0.4934 0.5017 0.6471 0.6511 1.7990 1.8008 2.3223 2.3276 2.6500 2.6538 2.7604 2.7667 12.7221 12.7266 12.9759 12.9789 13.0004 13.0043 13.9768 13.9871 k = 0.0000 0.0000 0.6775 ( 2328 PWs) bands (ev): -17.5025 -17.5025 -16.3830 -16.3829 -15.1240 -15.1230 -15.0328 -15.0319 -6.0710 -6.0705 -5.5781 -5.5770 -3.0906 -3.0831 -2.9611 -2.9531 -0.6668 -0.6548 -0.3752 -0.3618 0.4955 0.5030 0.6304 0.6344 1.8150 1.8165 2.3173 2.3215 2.6632 2.6669 2.7533 2.7594 12.7336 12.7372 12.9840 12.9868 13.0148 13.0188 13.9560 13.9646 k = 0.0000 0.0000 0.6919 ( 2328 PWs) bands (ev): -17.4898 -17.4898 -16.3982 -16.3981 -15.1241 -15.1234 -15.0345 -15.0337 -6.0237 -6.0232 -5.6207 -5.6197 -3.0742 -3.0674 -2.9666 -2.9594 -0.6374 -0.6251 -0.4168 -0.4036 0.4992 0.5056 0.6156 0.6194 1.8281 1.8292 2.3129 2.3160 2.6760 2.6798 2.7457 2.7513 12.7426 12.7453 12.9898 12.9922 13.0278 13.0313 13.9385 13.9452 k = 0.0000 0.0000 0.7063 ( 2332 PWs) bands (ev): -17.4805 -17.4805 -16.4093 -16.4092 -15.1242 -15.1237 -15.0356 -15.0351 -5.9822 -5.9818 -5.6586 -5.6578 -3.0605 -3.0549 -2.9719 -2.9660 -0.6059 -0.5936 -0.4569 -0.4439 0.5037 0.5086 0.6039 0.6070 1.8379 1.8387 2.3094 2.3114 2.6880 2.6918 2.7376 2.7427 12.7491 12.7509 12.9939 12.9956 13.0383 13.0409 13.9255 13.9300 k = 0.0000 0.0000 0.7207 ( 2336 PWs) bands (ev): -17.4748 -17.4748 -16.4161 -16.4160 -15.1241 -15.1239 -15.0362 -15.0360 -5.9516 -5.9513 -5.6870 -5.6865 -3.0504 -3.0471 -2.9753 -2.9719 -0.5730 -0.5612 -0.4944 -0.4823 0.5079 0.5106 0.5963 0.5981 1.8440 1.8444 2.3073 2.3083 2.6986 2.7017 2.7302 2.7340 12.7532 12.7541 12.9965 12.9973 13.0453 13.0467 13.9177 13.9200 k = 0.0000 0.0000 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4183 -16.4183 -15.1240 -15.1240 -15.0364 -15.0364 -5.9397 -5.9397 -5.6978 -5.6978 -3.0455 -3.0455 -2.9754 -2.9754 -0.5440 -0.5440 -0.5132 -0.5132 0.5106 0.5106 0.5943 0.5943 1.8462 1.8462 2.3069 2.3069 2.7050 2.7050 2.7280 2.7280 12.7548 12.7548 12.9976 12.9976 13.0482 13.0482 13.9158 13.9158 k = 0.0000 0.0000 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4183 -16.4183 -15.1240 -15.1240 -15.0364 -15.0364 -5.9397 -5.9397 -5.6978 -5.6978 -3.0455 -3.0455 -2.9754 -2.9754 -0.5440 -0.5440 -0.5132 -0.5132 0.5106 0.5106 0.5943 0.5943 1.8462 1.8462 2.3069 2.3069 2.7050 2.7050 2.7280 2.7280 12.7548 12.7548 12.9976 12.9976 13.0482 13.0482 13.9158 13.9158 k =-0.0098 0.0105 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4184 -16.4182 -15.1241 -15.1241 -15.0366 -15.0363 -5.9390 -5.9390 -5.6974 -5.6970 -3.0462 -3.0454 -2.9762 -2.9756 -0.5469 -0.5428 -0.5149 -0.5108 0.5102 0.5111 0.5942 0.5947 1.8462 1.8464 2.3073 2.3075 2.7003 2.7031 2.7281 2.7314 12.7539 12.7550 12.9972 12.9984 13.0469 13.0480 13.9156 13.9162 k =-0.0196 0.0211 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4183 -16.4179 -15.1243 -15.1242 -15.0372 -15.0366 -5.9371 -5.9370 -5.6958 -5.6949 -3.0476 -3.0460 -2.9779 -2.9766 -0.5512 -0.5438 -0.5153 -0.5080 0.5099 0.5117 0.5945 0.5956 1.8463 1.8468 2.3085 2.3090 2.6915 2.6954 2.7308 2.7357 12.7523 12.7544 12.9970 12.9994 13.0443 13.0464 13.9155 13.9168 k =-0.0293 0.0316 0.7351 ( 2332 PWs) bands (ev): -17.4730 -17.4729 -16.4181 -16.4174 -15.1245 -15.1244 -15.0380 -15.0371 -5.9339 -5.9337 -5.6928 -5.6915 -3.0497 -3.0473 -2.9805 -2.9785 -0.5563 -0.5467 -0.5147 -0.5053 0.5098 0.5124 0.5952 0.5967 1.8467 1.8473 2.3108 2.3114 2.6803 2.6844 2.7338 2.7393 12.7499 12.7530 12.9971 13.0005 13.0405 13.0436 13.9155 13.9174 k =-0.0391 0.0422 0.7351 ( 2338 PWs) bands (ev): -17.4730 -17.4730 -16.4178 -16.4169 -15.1248 -15.1247 -15.0390 -15.0378 -5.9294 -5.9291 -5.6887 -5.6869 -3.0525 -3.0492 -2.9840 -2.9813 -0.5620 -0.5512 -0.5134 -0.5027 0.5099 0.5132 0.5962 0.5982 1.8471 1.8480 2.3138 2.3147 2.6671 2.6711 2.7359 2.7418 12.7466 12.7507 12.9975 13.0017 13.0357 13.0398 13.9154 13.9180 k =-0.0489 0.0527 0.7351 ( 2334 PWs) bands (ev): -17.4731 -17.4731 -16.4173 -16.4162 -15.1252 -15.1251 -15.0403 -15.0388 -5.9237 -5.9233 -5.6833 -5.6811 -3.0558 -3.0518 -2.9882 -2.9850 -0.5683 -0.5566 -0.5119 -0.5005 0.5100 0.5142 0.5975 0.6000 1.8477 1.8487 2.3178 2.3187 2.6522 2.6559 2.7369 2.7432 12.7423 12.7473 12.9979 13.0023 13.0307 13.0357 13.9153 13.9184 k =-0.0587 0.0633 0.7351 ( 2330 PWs) bands (ev): -17.4732 -17.4732 -16.4168 -16.4155 -15.1257 -15.1256 -15.0419 -15.0401 -5.9168 -5.9163 -5.6768 -5.6742 -3.0599 -3.0550 -2.9933 -2.9894 -0.5749 -0.5627 -0.5105 -0.4985 0.5104 0.5153 0.5990 0.6019 1.8482 1.8495 2.3225 2.3235 2.6357 2.6390 2.7368 2.7433 12.7370 12.7427 12.9972 13.0010 13.0270 13.0327 13.9149 13.9185 k =-0.0685 0.0738 0.7351 ( 2322 PWs) bands (ev): -17.4734 -17.4733 -16.4161 -16.4146 -15.1263 -15.1261 -15.0436 -15.0416 -5.9086 -5.9081 -5.6691 -5.6660 -3.0645 -3.0589 -2.9992 -2.9947 -0.5817 -0.5691 -0.5091 -0.4968 0.5109 0.5164 0.6007 0.6041 1.8487 1.8502 2.3279 2.3289 2.6176 2.6206 2.7356 2.7424 12.7306 12.7368 12.9935 12.9963 13.0263 13.0328 13.9141 13.9181 k =-0.0783 0.0843 0.7351 ( 2322 PWs) bands (ev): -17.4735 -17.4735 -16.4153 -16.4136 -15.1269 -15.1268 -15.0456 -15.0433 -5.8994 -5.8987 -5.6603 -5.6568 -3.0698 -3.0634 -3.0058 -3.0006 -0.5887 -0.5758 -0.5080 -0.4954 0.5116 0.5177 0.6025 0.6063 1.8491 1.8508 2.3338 2.3346 2.5982 2.6006 2.7333 2.7403 12.7230 12.7296 12.9853 12.9887 13.0293 13.0367 13.9126 13.9171 k =-0.0880 0.0949 0.7351 ( 2314 PWs) bands (ev): -17.4737 -17.4737 -16.4144 -16.4125 -15.1276 -15.1274 -15.0478 -15.0452 -5.8890 -5.8883 -5.6504 -5.6465 -3.0756 -3.0685 -3.0130 -3.0073 -0.5956 -0.5826 -0.5069 -0.4942 0.5125 0.5191 0.6044 0.6085 1.8491 1.8510 2.3400 2.3406 2.5776 2.5793 2.7300 2.7374 12.7143 12.7211 12.9740 12.9786 13.0355 13.0436 13.9104 13.9153 k =-0.0978 0.1054 0.7351 ( 2314 PWs) bands (ev): -17.4739 -17.4739 -16.4134 -16.4113 -15.1284 -15.1282 -15.0502 -15.0473 -5.8777 -5.8769 -5.6395 -5.6353 -3.0820 -3.0742 -3.0208 -3.0146 -0.6025 -0.5893 -0.5060 -0.4931 0.5134 0.5205 0.6063 0.6107 1.8488 1.8509 2.3460 2.3465 2.5562 2.5571 2.7260 2.7336 12.7045 12.7114 12.9607 12.9663 13.0441 13.0526 13.9073 13.9125 k =-0.1076 0.1160 0.7351 ( 2310 PWs) bands (ev): -17.4742 -17.4741 -16.4123 -16.4101 -15.1292 -15.1289 -15.0528 -15.0496 -5.8653 -5.8645 -5.6277 -5.6230 -3.0889 -3.0805 -3.0292 -3.0224 -0.6092 -0.5958 -0.5050 -0.4921 0.5145 0.5221 0.6081 0.6128 1.8479 1.8502 2.3508 2.3520 2.5342 2.5350 2.7212 2.7291 12.6937 12.7007 12.9461 12.9525 13.0547 13.0636 13.9031 13.9086 k =-0.1174 0.1265 0.7351 ( 2314 PWs) bands (ev): -17.4744 -17.4744 -16.4112 -16.4087 -15.1300 -15.1298 -15.0555 -15.0521 -5.8521 -5.8512 -5.6150 -5.6100 -3.0964 -3.0873 -3.0380 -3.0307 -0.6155 -0.6021 -0.5041 -0.4911 0.5157 0.5236 0.6099 0.6148 1.8462 1.8488 2.3535 2.3561 2.5121 2.5145 2.7160 2.7241 12.6821 12.6891 12.9303 12.9373 13.0670 13.0760 13.8977 13.9035 k =-0.1272 0.1371 0.7351 ( 2314 PWs) bands (ev): -17.4747 -17.4747 -16.4099 -16.4073 -15.1309 -15.1306 -15.0584 -15.0548 -5.8381 -5.8371 -5.6015 -5.5961 -3.1042 -3.0946 -3.0471 -3.0394 -0.6215 -0.6079 -0.5030 -0.4899 0.5170 0.5252 0.6114 0.6166 1.8437 1.8465 2.3523 2.3569 2.4921 2.4968 2.7103 2.7188 12.6699 12.6767 12.9136 12.9212 13.0808 13.0899 13.8911 13.8971 k =-0.1369 0.1476 0.7351 ( 2306 PWs) bands (ev): -17.4751 -17.4750 -16.4086 -16.4058 -15.1317 -15.1314 -15.0614 -15.0575 -5.8234 -5.8223 -5.5872 -5.5814 -3.1124 -3.1024 -3.0565 -3.0485 -0.6269 -0.6133 -0.5017 -0.4885 0.5184 0.5268 0.6128 0.6181 1.8401 1.8431 2.3450 2.3517 2.4770 2.4841 2.7045 2.7132 12.6573 12.6640 12.8962 12.9041 13.0959 13.1049 13.8831 13.8893 k =-0.1467 0.1581 0.7351 ( 2310 PWs) bands (ev): -17.4754 -17.4753 -16.4073 -16.4043 -15.1326 -15.1323 -15.0645 -15.0605 -5.8080 -5.8068 -5.5722 -5.5661 -3.1210 -3.1106 -3.0660 -3.0579 -0.6318 -0.6181 -0.5000 -0.4869 0.5197 0.5284 0.6139 0.6194 1.8353 1.8385 2.3298 2.3381 2.4692 2.4781 2.6987 2.7077 12.6444 12.6509 12.8781 12.8865 13.1120 13.1209 13.8736 13.8800 k =-0.1565 0.1687 0.7351 ( 2310 PWs) bands (ev): -17.4758 -17.4757 -16.4058 -16.4028 -15.1335 -15.1332 -15.0677 -15.0635 -5.7921 -5.7908 -5.5567 -5.5502 -3.1299 -3.1193 -3.0757 -3.0675 -0.6360 -0.6222 -0.4980 -0.4848 0.5211 0.5300 0.6148 0.6204 1.8290 1.8324 2.3070 2.3159 2.4688 2.4785 2.6931 2.7023 12.6315 12.6377 12.8596 12.8683 13.1290 13.1378 13.8628 13.8693 k =-0.1663 0.1792 0.7351 ( 2310 PWs) bands (ev): -17.4762 -17.4762 -16.4044 -16.4012 -15.1344 -15.1341 -15.0710 -15.0666 -5.7757 -5.7744 -5.5406 -5.5339 -3.1389 -3.1282 -3.0854 -3.0772 -0.6394 -0.6255 -0.4954 -0.4823 0.5225 0.5315 0.6155 0.6212 1.8210 1.8246 2.2783 2.2871 2.4739 2.4836 2.6879 2.6974 12.6187 12.6247 12.8409 12.8498 13.1466 13.1552 13.8504 13.8571 k =-0.1761 0.1898 0.7351 ( 2308 PWs) bands (ev): -17.4767 -17.4766 -16.4029 -16.3996 -15.1353 -15.1349 -15.0743 -15.0698 -5.7589 -5.7576 -5.5242 -5.5171 -3.1481 -3.1373 -3.0951 -3.0869 -0.6419 -0.6280 -0.4923 -0.4791 0.5238 0.5329 0.6158 0.6216 1.8111 1.8150 2.2452 2.2536 2.4824 2.4920 2.6833 2.6929 12.6062 12.6121 12.8220 12.8312 13.1646 13.1730 13.8366 13.8434 k =-0.1859 0.2003 0.7351 ( 2302 PWs) bands (ev): -17.4772 -17.4771 -16.4014 -16.3979 -15.1361 -15.1357 -15.0777 -15.0730 -5.7419 -5.7405 -5.5074 -5.5000 -3.1573 -3.1466 -3.1047 -3.0966 -0.6434 -0.6295 -0.4885 -0.4753 0.5250 0.5342 0.6158 0.6216 1.7993 1.8034 2.2089 2.2169 2.4931 2.5024 2.6793 2.6892 12.5942 12.5999 12.8033 12.8126 13.1827 13.1909 13.8213 13.8283 k =-0.1956 0.2109 0.7351 ( 2306 PWs) bands (ev): -17.4777 -17.4776 -16.3998 -16.3963 -15.1369 -15.1365 -15.0811 -15.0763 -5.7248 -5.7233 -5.4903 -5.4827 -3.1666 -3.1560 -3.1141 -3.1063 -0.6440 -0.6301 -0.4840 -0.4708 0.5261 0.5354 0.6156 0.6214 1.7852 1.7895 2.1699 2.1776 2.5052 2.5142 2.6763 2.6863 12.5828 12.5883 12.7847 12.7943 13.2008 13.2088 13.8047 13.8117 k =-0.2054 0.2214 0.7351 ( 2306 PWs) bands (ev): -17.4783 -17.4782 -16.3983 -16.3946 -15.1377 -15.1373 -15.0845 -15.0796 -5.7075 -5.7060 -5.4731 -5.4653 -3.1756 -3.1653 -3.1234 -3.1159 -0.6434 -0.6295 -0.4786 -0.4654 0.5272 0.5364 0.6150 0.6207 1.7689 1.7734 2.1288 2.1363 2.5181 2.5269 2.6742 2.6843 12.5722 12.5776 12.7666 12.7763 13.2186 13.2264 13.7867 13.7938 k =-0.2152 0.2319 0.7351 ( 2310 PWs) bands (ev): -17.4789 -17.4788 -16.3967 -16.3930 -15.1384 -15.1380 -15.0879 -15.0829 -5.6904 -5.6888 -5.4558 -5.4478 -3.1845 -3.1745 -3.1324 -3.1252 -0.6418 -0.6278 -0.4722 -0.4591 0.5280 0.5373 0.6141 0.6198 1.7502 1.7548 2.0859 2.0931 2.5318 2.5403 2.6732 2.6834 12.5624 12.5677 12.7491 12.7589 13.2358 13.2433 13.7674 13.7745 k =-0.2152 0.2319 0.7351 ( 2310 PWs) bands (ev): -17.4789 -17.4788 -16.3967 -16.3930 -15.1384 -15.1380 -15.0879 -15.0829 -5.6904 -5.6888 -5.4558 -5.4478 -3.1845 -3.1745 -3.1324 -3.1252 -0.6418 -0.6278 -0.4722 -0.4591 0.5280 0.5373 0.6141 0.6198 1.7502 1.7548 2.0859 2.0931 2.5318 2.5403 2.6732 2.6834 12.5624 12.5677 12.7491 12.7589 13.2358 13.2433 13.7674 13.7745 k =-0.2220 0.2393 0.7252 ( 2308 PWs) bands (ev): -17.4798 -17.4797 -16.3952 -16.3914 -15.1366 -15.1361 -15.0923 -15.0874 -5.6870 -5.6854 -5.4348 -5.4267 -3.1830 -3.1762 -3.1445 -3.1404 -0.6529 -0.6394 -0.4526 -0.4395 0.5408 0.5487 0.6009 0.6067 1.7293 1.7341 2.0637 2.0707 2.5425 2.5515 2.6704 2.6809 12.5553 12.5608 12.7250 12.7344 13.2485 13.2558 13.7651 13.7729 k =-0.2288 0.2466 0.7152 ( 2304 PWs) bands (ev): -17.4817 -17.4816 -16.3926 -16.3888 -15.1345 -15.1340 -15.0967 -15.0918 -5.6921 -5.6904 -5.4056 -5.3977 -3.1905 -3.1873 -3.1503 -3.1453 -0.6640 -0.6510 -0.4311 -0.4183 0.5519 0.5574 0.5903 0.5976 1.7075 1.7125 2.0403 2.0473 2.5524 2.5619 2.6686 2.6793 12.5437 12.5497 12.7046 12.7134 13.2621 13.2692 13.7642 13.7725 k =-0.2355 0.2539 0.7052 ( 2304 PWs) bands (ev): -17.4843 -17.4842 -16.3891 -16.3853 -15.1324 -15.1317 -15.1009 -15.0960 -5.7028 -5.7008 -5.3713 -5.3636 -3.2082 -3.2035 -3.1503 -3.1421 -0.6746 -0.6622 -0.4083 -0.3957 0.5529 0.5582 0.5886 0.5994 1.6852 1.6903 2.0161 2.0230 2.5610 2.5711 2.6677 2.6787 12.5275 12.5341 12.6885 12.6966 13.2762 13.2831 13.7644 13.7731 k =-0.2423 0.2612 0.6953 ( 2306 PWs) bands (ev): -17.4877 -17.4876 -16.3849 -16.3811 -15.1302 -15.1294 -15.1049 -15.1001 -5.7168 -5.7146 -5.3342 -5.3266 -3.2289 -3.2234 -3.1466 -3.1371 -0.6845 -0.6726 -0.3845 -0.3722 0.5429 0.5486 0.5998 0.6112 1.6625 1.6677 1.9911 1.9980 2.5683 2.5789 2.6679 2.6791 12.5072 12.5146 12.6765 12.6841 13.2908 13.2974 13.7654 13.7745 k =-0.2491 0.2685 0.6853 ( 2312 PWs) bands (ev): -17.4915 -17.4915 -16.3800 -16.3762 -15.1280 -15.1269 -15.1085 -15.1040 -5.7326 -5.7301 -5.2958 -5.2883 -3.2506 -3.2449 -3.1418 -3.1316 -0.6936 -0.6823 -0.3599 -0.3480 0.5292 0.5347 0.6160 0.6271 1.6397 1.6450 1.9655 1.9723 2.5742 2.5853 2.6692 2.6804 12.4841 12.4920 12.6680 12.6752 13.3056 13.3118 13.7671 13.7764 k =-0.2559 0.2758 0.6753 ( 2310 PWs) bands (ev): -17.4958 -17.4958 -16.3748 -16.3710 -15.1262 -15.1245 -15.1117 -15.1075 -5.7492 -5.7466 -5.2570 -5.2496 -3.2728 -3.2671 -3.1366 -3.1261 -0.7018 -0.6910 -0.3347 -0.3232 0.5143 0.5195 0.6341 0.6449 1.6172 1.6224 1.9395 1.9463 2.5787 2.5901 2.6715 2.6826 12.4593 12.4677 12.6620 12.6691 13.3204 13.3263 13.7692 13.7787 k =-0.2627 0.2831 0.6653 ( 2310 PWs) bands (ev): -17.5004 -17.5004 -16.3693 -16.3654 -15.1254 -15.1223 -15.1140 -15.1102 -5.7661 -5.7633 -5.2185 -5.2113 -3.2952 -3.2896 -3.1314 -3.1206 -0.7092 -0.6989 -0.3090 -0.2980 0.4987 0.5035 0.6532 0.6636 1.5950 1.6003 1.9130 1.9199 2.5820 2.5936 2.6748 2.6854 12.4340 12.4427 12.6580 12.6650 13.3350 13.3407 13.7715 13.7811 k =-0.2695 0.2904 0.6554 ( 2312 PWs) bands (ev): -17.5052 -17.5051 -16.3635 -16.3597 -15.1263 -15.1214 -15.1147 -15.1111 -5.7828 -5.7799 -5.1809 -5.1737 -3.3175 -3.3122 -3.1262 -3.1152 -0.7157 -0.7059 -0.2831 -0.2725 0.4826 0.4871 0.6729 0.6830 1.5735 1.5787 1.8864 1.8932 2.5843 2.5958 2.6786 2.6887 12.4089 12.4178 12.6553 12.6623 13.3495 13.3548 13.7736 13.7833 k =-0.2762 0.2977 0.6454 ( 2314 PWs) bands (ev): -17.5100 -17.5099 -16.3578 -16.3540 -15.1284 -15.1229 -15.1134 -15.1100 -5.7990 -5.7960 -5.1445 -5.1374 -3.3395 -3.3345 -3.1211 -3.1099 -0.7214 -0.7120 -0.2571 -0.2469 0.4661 0.4702 0.6930 0.7029 1.5529 1.5581 1.8597 1.8666 2.5858 2.5971 2.6828 2.6921 12.3846 12.3936 12.6536 12.6608 13.3635 13.3686 13.7754 13.7851 k =-0.2830 0.3050 0.6354 ( 2316 PWs) bands (ev): -17.5148 -17.5148 -16.3521 -16.3483 -15.1311 -15.1256 -15.1110 -15.1079 -5.8145 -5.8115 -5.1096 -5.1025 -3.3610 -3.3564 -3.1162 -3.1049 -0.7263 -0.7173 -0.2312 -0.2215 0.4492 0.4528 0.7132 0.7229 1.5336 1.5386 1.8331 1.8400 2.5867 2.5978 2.6871 2.6957 12.3615 12.3707 12.6527 12.6601 13.3772 13.3820 13.7766 13.7864 k =-0.2898 0.3123 0.6255 ( 2312 PWs) bands (ev): -17.5195 -17.5194 -16.3466 -16.3428 -15.1341 -15.1286 -15.1083 -15.1053 -5.8291 -5.8260 -5.0765 -5.0696 -3.3817 -3.3776 -3.1115 -3.1002 -0.7304 -0.7217 -0.2055 -0.1963 0.4320 0.4352 0.7334 0.7430 1.5156 1.5206 1.8067 1.8137 2.5871 2.5979 2.6914 2.6991 12.3400 12.3493 12.6526 12.6601 13.3904 13.3949 13.7771 13.7868 k =-0.2966 0.3197 0.6155 ( 2308 PWs) bands (ev): -17.5239 -17.5239 -16.3414 -16.3376 -15.1370 -15.1316 -15.1055 -15.1025 -5.8427 -5.8395 -5.0456 -5.0387 -3.4015 -3.3979 -3.1071 -3.0957 -0.7336 -0.7253 -0.1803 -0.1716 0.4146 0.4172 0.7534 0.7629 1.4993 1.5042 1.7808 1.7879 2.5873 2.5978 2.6953 2.7023 12.3204 12.3297 12.6531 12.6608 13.4031 13.4073 13.7766 13.7862 k =-0.3034 0.3270 0.6055 ( 2306 PWs) bands (ev): -17.5281 -17.5281 -16.3364 -16.3327 -15.1398 -15.1346 -15.1028 -15.0997 -5.8551 -5.8519 -5.0171 -5.0103 -3.4201 -3.4170 -3.1029 -3.0915 -0.7362 -0.7281 -0.1560 -0.1479 0.3971 0.3991 0.7730 0.7823 1.4849 1.4896 1.7555 1.7627 2.5872 2.5974 2.6990 2.7052 12.3027 12.3121 12.6541 12.6619 13.4152 13.4192 13.7749 13.7845 k =-0.3101 0.3343 0.5956 ( 2308 PWs) bands (ev): -17.5319 -17.5319 -16.3319 -16.3282 -15.1425 -15.1374 -15.1001 -15.0969 -5.8662 -5.8630 -4.9913 -4.9846 -3.4373 -3.4347 -3.0991 -3.0876 -0.7380 -0.7302 -0.1327 -0.1253 0.3797 0.3810 0.7918 0.8010 1.4726 1.4772 1.7310 1.7383 2.5870 2.5969 2.7023 2.7077 12.2872 12.2966 12.6555 12.6635 13.4268 13.4305 13.7720 13.7814 k =-0.3169 0.3416 0.5856 ( 2308 PWs) bands (ev): -17.5354 -17.5354 -16.3279 -16.3242 -15.1451 -15.1401 -15.0975 -15.0942 -5.8759 -5.8727 -4.9684 -4.9619 -3.4527 -3.4507 -3.0956 -3.0841 -0.7390 -0.7315 -0.1111 -0.1044 0.3627 0.3633 0.8097 0.8188 1.4626 1.4671 1.7076 1.7150 2.5867 2.5963 2.7052 2.7099 12.2740 12.2833 12.6574 12.6656 13.4378 13.4413 13.7675 13.7769 k =-0.3237 0.3489 0.5756 ( 2308 PWs) bands (ev): -17.5384 -17.5383 -16.3244 -16.3207 -15.1475 -15.1426 -15.0951 -15.0917 -5.8842 -5.8810 -4.9488 -4.9424 -3.4663 -3.4647 -3.0924 -3.0810 -0.7394 -0.7321 -0.0916 -0.0857 0.3463 0.3467 0.8263 0.8353 1.4550 1.4594 1.6855 1.6931 2.5864 2.5957 2.7077 2.7118 12.2632 12.2725 12.6598 12.6681 13.4483 13.4515 13.7615 13.7708 k =-0.3305 0.3562 0.5656 ( 2299 PWs) bands (ev): -17.5409 -17.5408 -16.3215 -16.3178 -15.1497 -15.1450 -15.0928 -15.0893 -5.8910 -5.8877 -4.9327 -4.9263 -3.4777 -3.4765 -3.0896 -3.0782 -0.7391 -0.7320 -0.0748 -0.0698 0.3306 0.3320 0.8414 0.8503 1.4500 1.4543 1.6651 1.6728 2.5860 2.5950 2.7098 2.7133 12.2548 12.2640 12.6625 12.6710 13.4583 13.4613 13.7539 13.7630 k =-0.3373 0.3635 0.5557 ( 2301 PWs) bands (ev): -17.5429 -17.5428 -16.3191 -16.3154 -15.1518 -15.1472 -15.0907 -15.0870 -5.8962 -5.8929 -4.9202 -4.9140 -3.4870 -3.4857 -3.0871 -3.0758 -0.7382 -0.7312 -0.0616 -0.0576 0.3169 0.3194 0.8547 0.8634 1.4477 1.4519 1.6465 1.6545 2.5857 2.5944 2.7115 2.7144 12.2488 12.2580 12.6656 12.6742 13.4678 13.4705 13.7445 13.7535 k =-0.3440 0.3708 0.5457 ( 2300 PWs) bands (ev): -17.5443 -17.5443 -16.3174 -16.3137 -15.1536 -15.1492 -15.0888 -15.0850 -5.8997 -5.8964 -4.9116 -4.9054 -3.4940 -3.4922 -3.0851 -3.0738 -0.7366 -0.7298 -0.0528 -0.0498 0.3059 0.3098 0.8659 0.8745 1.4482 1.4523 1.6301 1.6383 2.5854 2.5938 2.7128 2.7153 12.2452 12.2544 12.6691 12.6778 13.4769 13.4794 13.7333 13.7422 k =-0.3508 0.3781 0.5357 ( 2297 PWs) bands (ev): -17.5452 -17.5451 -16.3163 -16.3126 -15.1553 -15.1511 -15.0872 -15.0832 -5.9017 -5.8983 -4.9070 -4.9009 -3.4984 -3.4960 -3.0834 -3.0722 -0.7344 -0.7277 -0.0491 -0.0470 0.2984 0.3036 0.8747 0.8830 1.4515 1.4556 1.6162 1.6246 2.5851 2.5933 2.7138 2.7159 12.2442 12.2532 12.6728 12.6816 13.4856 13.4879 13.7202 13.7292 k =-0.3576 0.3854 0.5258 ( 2293 PWs) bands (ev): -17.5455 -17.5454 -16.3159 -16.3122 -15.1567 -15.1527 -15.0858 -15.0816 -5.9019 -5.8986 -4.9064 -4.9003 -3.5002 -3.4971 -3.0822 -3.0710 -0.7315 -0.7249 -0.0513 -0.0494 0.2948 0.3013 0.8809 0.8890 1.4575 1.4615 1.6051 1.6137 2.5849 2.5927 2.7143 2.7163 12.2455 12.2545 12.6769 12.6858 13.4940 13.4961 13.7054 13.7143 k =-0.3576 0.3854 0.5258 ( 2293 PWs) bands (ev): -17.5455 -17.5454 -16.3159 -16.3122 -15.1567 -15.1527 -15.0858 -15.0816 -5.9019 -5.8986 -4.9064 -4.9003 -3.5002 -3.4971 -3.0822 -3.0710 -0.7315 -0.7249 -0.0513 -0.0494 0.2948 0.3013 0.8809 0.8890 1.4575 1.4615 1.6051 1.6137 2.5849 2.5927 2.7143 2.7163 12.2455 12.2545 12.6769 12.6858 13.4940 13.4961 13.7054 13.7143 k =-0.3507 0.3780 0.5157 ( 2299 PWs) bands (ev): -17.5558 -17.5558 -16.3042 -16.3005 -15.1564 -15.1523 -15.0806 -15.0763 -5.9489 -5.9456 -4.8780 -4.8719 -3.5231 -3.5198 -3.0733 -3.0619 -0.7491 -0.7424 -0.0670 -0.0653 0.3221 0.3284 0.8904 0.8987 1.4823 1.4862 1.6603 1.6686 2.5609 2.5690 2.7053 2.7074 12.2158 12.2250 12.6824 12.6913 13.5206 13.5228 13.7365 13.7457 k =-0.3438 0.3706 0.5055 ( 2301 PWs) bands (ev): -17.5673 -17.5673 -16.2911 -16.2873 -15.1558 -15.1517 -15.0753 -15.0708 -5.9971 -5.9937 -4.8496 -4.8434 -3.5464 -3.5430 -3.0650 -3.0534 -0.7644 -0.7576 -0.0805 -0.0790 0.3503 0.3563 0.9000 0.9086 1.5048 1.5087 1.7145 1.7227 2.5363 2.5445 2.6965 2.6985 12.1867 12.1962 12.6886 12.6974 13.5458 13.5483 13.7661 13.7755 k =-0.3370 0.3632 0.4954 ( 2301 PWs) bands (ev): -17.5800 -17.5800 -16.2765 -16.2727 -15.1550 -15.1508 -15.0697 -15.0652 -6.0463 -6.0430 -4.8213 -4.8150 -3.5701 -3.5666 -3.0571 -3.0455 -0.7774 -0.7706 -0.0915 -0.0902 0.3792 0.3850 0.9097 0.9184 1.5252 1.5291 1.7674 1.7755 2.5113 2.5196 2.6878 2.6898 12.1585 12.1683 12.6954 12.7041 13.5691 13.5719 13.7940 13.8036 k =-0.3301 0.3558 0.4853 ( 2305 PWs) bands (ev): -17.5940 -17.5939 -16.2605 -16.2567 -15.1539 -15.1497 -15.0640 -15.0593 -6.0964 -6.0931 -4.7932 -4.7868 -3.5942 -3.5905 -3.0499 -3.0381 -0.7883 -0.7814 -0.1001 -0.0990 0.4088 0.4144 0.9194 0.9283 1.5434 1.5473 1.8187 1.8266 2.4860 2.4944 2.6793 2.6813 12.1313 12.1413 12.7027 12.7113 13.5899 13.5931 13.8199 13.8297 k =-0.3232 0.3484 0.4752 ( 2305 PWs) bands (ev): -17.6090 -17.6090 -16.2429 -16.2391 -15.1526 -15.1483 -15.0582 -15.0534 -6.1473 -6.1441 -4.7655 -4.7590 -3.6185 -3.6147 -3.0433 -3.0315 -0.7971 -0.7901 -0.1059 -0.1051 0.4390 0.4444 0.9290 0.9382 1.5594 1.5635 1.8680 1.8757 2.4608 2.4693 2.6712 2.6732 12.1050 12.1153 12.7104 12.7189 13.6075 13.6110 13.8437 13.8536 k =-0.3163 0.3410 0.4651 ( 2309 PWs) bands (ev): -17.6252 -17.6252 -16.2239 -16.2201 -15.1510 -15.1468 -15.0522 -15.0472 -6.1990 -6.1958 -4.7383 -4.7318 -3.6429 -3.6390 -3.0375 -3.0256 -0.8039 -0.7967 -0.1090 -0.1083 0.4696 0.4749 0.9386 0.9480 1.5733 1.5775 1.9148 1.9223 2.4362 2.4445 2.6636 2.6655 12.0798 12.0904 12.7185 12.7269 13.6212 13.6251 13.8652 13.8751 k =-0.3095 0.3335 0.4550 ( 2305 PWs) bands (ev): -17.6425 -17.6425 -16.2034 -16.1996 -15.1493 -15.1450 -15.0460 -15.0410 -6.2512 -6.2481 -4.7117 -4.7051 -3.6675 -3.6635 -3.0325 -3.0205 -0.8087 -0.8015 -0.1090 -0.1086 0.5006 0.5058 0.9480 0.9577 1.5850 1.5893 1.9588 1.9659 2.4125 2.4206 2.6564 2.6583 12.0556 12.0665 12.7270 12.7353 13.6303 13.6346 13.8841 13.8941 k =-0.3026 0.3261 0.4449 ( 2301 PWs) bands (ev): -17.6608 -17.6608 -16.1815 -16.1776 -15.1473 -15.1430 -15.0397 -15.0346 -6.3040 -6.3010 -4.6858 -4.6792 -3.6921 -3.6879 -3.0283 -3.0163 -0.8118 -0.8045 -0.1060 -0.1058 0.5319 0.5370 0.9573 0.9672 1.5945 1.5990 1.9992 2.0058 2.3907 2.3984 2.6499 2.6517 12.0324 12.0436 12.7358 12.7439 13.6340 13.6385 13.9003 13.9103 k =-0.2957 0.3187 0.4348 ( 2299 PWs) bands (ev): -17.6801 -17.6800 -16.1582 -16.1543 -15.1451 -15.1407 -15.0333 -15.0281 -6.3572 -6.3542 -4.6606 -4.6540 -3.7167 -3.7124 -3.0250 -3.0130 -0.8133 -0.8058 -0.0997 -0.0997 0.5634 0.5683 0.9663 0.9765 1.6017 1.6064 2.0350 2.0409 2.3716 2.3786 2.6442 2.6459 12.0102 12.0217 12.7448 12.7528 13.6316 13.6363 13.9138 13.9235 k =-0.2888 0.3113 0.4247 ( 2307 PWs) bands (ev): -17.7003 -17.7002 -16.1335 -16.1297 -15.1427 -15.1384 -15.0268 -15.0215 -6.4107 -6.4078 -4.6363 -4.6297 -3.7412 -3.7368 -3.0226 -3.0107 -0.8133 -0.8057 -0.0903 -0.0900 0.5948 0.5996 0.9750 0.9856 1.6068 1.6117 2.0650 2.0697 2.3568 2.3627 2.6393 2.6408 11.9890 12.0006 12.7540 12.7619 13.6224 13.6271 13.9244 13.9339 k =-0.2820 0.3039 0.4146 ( 2311 PWs) bands (ev): -17.7212 -17.7211 -16.1076 -16.1038 -15.1401 -15.1358 -15.0202 -15.0149 -6.4644 -6.4617 -4.6129 -4.6063 -3.7655 -3.7610 -3.0213 -3.0094 -0.8120 -0.8042 -0.0774 -0.0770 0.6260 0.6309 0.9834 0.9944 1.6097 1.6148 2.0875 2.0905 2.3481 2.3523 2.6354 2.6368 11.9685 11.9804 12.7635 12.7712 13.6056 13.6103 13.9324 13.9415 k =-0.2751 0.2965 0.4044 ( 2315 PWs) bands (ev): -17.7429 -17.7428 -16.0804 -16.0767 -15.1373 -15.1331 -15.0135 -15.0081 -6.5183 -6.5157 -4.5904 -4.5838 -3.7896 -3.7850 -3.0210 -3.0091 -0.8095 -0.8016 -0.0611 -0.0604 0.6568 0.6618 0.9916 1.0030 1.6105 1.6159 2.1009 2.1020 2.3466 2.3489 2.6326 2.6339 11.9488 11.9609 12.7733 12.7808 13.5809 13.5854 13.9380 13.9467 k =-0.2682 0.2891 0.3943 ( 2315 PWs) bands (ev): -17.7653 -17.7652 -16.0521 -16.0484 -15.1344 -15.1302 -15.0067 -15.0013 -6.5723 -6.5698 -4.5688 -4.5623 -3.8134 -3.8088 -3.0218 -3.0100 -0.8059 -0.7980 -0.0412 -0.0404 0.6870 0.6921 0.9995 1.0114 1.6095 1.6151 2.1036 2.1052 2.3525 2.3530 2.6312 2.6323 11.9295 11.9418 12.7834 12.7907 13.5478 13.5521 13.9416 13.9498 k =-0.2613 0.2817 0.3842 ( 2309 PWs) bands (ev): -17.7882 -17.7880 -16.0228 -16.0191 -15.1313 -15.1271 -14.9999 -14.9945 -6.6263 -6.6240 -4.5482 -4.5417 -3.8369 -3.8322 -3.0237 -3.0120 -0.8014 -0.7934 -0.0177 -0.0168 0.7162 0.7215 1.0074 1.0199 1.6066 1.6125 2.0975 2.1009 2.3630 2.3645 2.6312 2.6321 11.9106 11.9229 12.7938 12.8008 13.5064 13.5105 13.9435 13.9513 k =-0.2544 0.2742 0.3741 ( 2309 PWs) bands (ev): -17.8115 -17.8114 -15.9924 -15.9888 -15.1282 -15.1240 -14.9930 -14.9876 -6.6803 -6.6780 -4.5285 -4.5220 -3.8600 -3.8552 -3.0268 -3.0152 -0.7961 -0.7880 0.0092 0.0102 0.7440 0.7496 1.0155 1.0285 1.6022 1.6084 2.0858 2.0905 2.3771 2.3797 2.6327 2.6334 11.8917 11.9041 12.8046 12.8113 13.4570 13.4609 13.9443 13.9516 k =-0.2476 0.2668 0.3640 ( 2313 PWs) bands (ev): -17.8352 -17.8351 -15.9612 -15.9576 -15.1249 -15.1208 -14.9861 -14.9807 -6.7341 -6.7319 -4.5097 -4.5033 -3.8826 -3.8777 -3.0311 -3.0196 -0.7900 -0.7819 0.0396 0.0407 0.7699 0.7758 1.0241 1.0377 1.5965 1.6028 2.0705 2.0760 2.3929 2.3961 2.6357 2.6365 11.8727 11.8851 12.8158 12.8221 13.4002 13.4040 13.9441 13.9509 k =-0.2407 0.2594 0.3539 ( 2313 PWs) bands (ev): -17.8593 -17.8592 -15.9291 -15.9256 -15.1215 -15.1174 -14.9791 -14.9737 -6.7877 -6.7856 -4.4918 -4.4855 -3.9048 -3.8998 -3.0366 -3.0252 -0.7833 -0.7752 0.0732 0.0743 0.7932 0.7994 1.0338 1.0479 1.5897 1.5962 2.0530 2.0590 2.4090 2.4124 2.6401 2.6413 11.8532 11.8655 12.8274 12.8331 13.3372 13.3410 13.9432 13.9497 k =-0.2338 0.2520 0.3438 ( 2317 PWs) bands (ev): -17.8835 -17.8834 -15.8963 -15.8928 -15.1180 -15.1141 -14.9722 -14.9668 -6.8410 -6.8391 -4.4748 -4.4686 -3.9264 -3.9213 -3.0433 -3.0320 -0.7760 -0.7679 0.1099 0.1111 0.8132 0.8197 1.0452 1.0598 1.5821 1.5888 2.0343 2.0406 2.4243 2.4276 2.6460 2.6477 11.8329 11.8450 12.8391 12.8441 13.2691 13.2732 13.9419 13.9480 k =-0.2269 0.2446 0.3337 ( 2319 PWs) bands (ev): -17.9079 -17.9078 -15.8628 -15.8594 -15.1145 -15.1106 -14.9652 -14.9599 -6.8939 -6.8921 -4.4586 -4.4525 -3.9474 -3.9422 -3.0512 -3.0401 -0.7681 -0.7601 0.1497 0.1509 0.8293 0.8359 1.0591 1.0738 1.5740 1.5808 2.0149 2.0213 2.4383 2.4414 2.6532 2.6554 11.8115 11.8234 12.8506 12.8543 13.1977 13.2024 13.9402 13.9460 k =-0.2201 0.2372 0.3236 ( 2323 PWs) bands (ev): -17.9323 -17.9322 -15.8288 -15.8255 -15.1110 -15.1071 -14.9583 -14.9531 -6.9464 -6.9447 -4.4432 -4.4371 -3.9677 -3.9625 -3.0604 -3.0494 -0.7596 -0.7517 0.1921 0.1933 0.8409 0.8473 1.0758 1.0904 1.5656 1.5725 1.9951 2.0016 2.4509 2.4537 2.6613 2.6640 11.7887 11.8002 12.8602 12.8621 13.1257 13.1316 13.9382 13.9437 k =-0.2132 0.2298 0.3134 ( 2327 PWs) bands (ev): -17.9567 -17.9566 -15.7944 -15.7911 -15.1074 -15.1036 -14.9514 -14.9463 -6.9984 -6.9969 -4.4284 -4.4225 -3.9873 -3.9821 -3.0708 -3.0600 -0.7507 -0.7428 0.2371 0.2383 0.8478 0.8538 1.0956 1.1098 1.5572 1.5642 1.9751 1.9817 2.4622 2.4647 2.6700 2.6733 11.7641 11.7752 12.8615 12.8644 13.0587 13.0672 13.9360 13.9414 k =-0.2063 0.2224 0.3033 ( 2327 PWs) bands (ev): -17.9810 -17.9809 -15.7596 -15.7563 -15.1038 -15.1001 -14.9446 -14.9395 -7.0499 -7.0484 -4.4144 -4.4086 -4.0062 -4.0010 -3.0824 -3.0718 -0.7412 -0.7335 0.2844 0.2855 0.8503 0.8557 1.1181 1.1317 1.5490 1.5560 1.9551 1.9617 2.4723 2.4745 2.6790 2.6827 11.7375 11.7481 12.8423 12.8501 13.0093 13.0218 13.9337 13.9388 k =-0.1994 0.2150 0.2932 ( 2323 PWs) bands (ev): -18.0051 -18.0050 -15.7245 -15.7213 -15.1001 -15.0965 -14.9378 -14.9328 -7.1006 -7.0993 -4.4010 -4.3954 -4.0244 -4.0191 -3.0952 -3.0847 -0.7313 -0.7237 0.3337 0.3348 0.8486 0.8535 1.1430 1.1559 1.5411 1.5481 1.9351 1.9416 2.4816 2.4835 2.6878 2.6919 11.7085 11.7184 12.7945 12.8047 12.9921 13.0059 13.9312 13.9362 k =-0.1926 0.2075 0.2831 ( 2315 PWs) bands (ev): -18.0290 -18.0289 -15.6892 -15.6861 -15.0965 -15.0930 -14.9311 -14.9262 -7.1507 -7.1495 -4.3882 -4.3827 -4.0417 -4.0364 -3.1091 -3.0989 -0.7209 -0.7134 0.3848 0.3857 0.8435 0.8478 1.1695 1.1818 1.5337 1.5406 1.9152 1.9216 2.4903 2.4919 2.6962 2.7007 11.6769 11.6861 12.7268 12.7371 12.9989 13.0117 13.9286 13.9334 k =-0.1857 0.2001 0.2730 ( 2315 PWs) bands (ev): -18.0526 -18.0525 -15.6538 -15.6508 -15.0930 -15.0895 -14.9245 -14.9198 -7.2000 -7.1989 -4.3760 -4.3706 -4.0582 -4.0528 -3.1241 -3.1141 -0.7101 -0.7027 0.4373 0.4382 0.8354 0.8392 1.1973 1.2089 1.5268 1.5336 1.8953 1.9017 2.4984 2.4998 2.7039 2.7086 11.6424 11.6508 12.6510 12.6610 13.0167 13.0283 13.9258 13.9305 k =-0.1788 0.1927 0.2629 ( 2319 PWs) bands (ev): -18.0758 -18.0757 -15.6185 -15.6156 -15.0894 -15.0861 -14.9180 -14.9134 -7.2484 -7.2474 -4.3642 -4.3591 -4.0738 -4.0684 -3.1402 -3.1304 -0.6988 -0.6916 0.4909 0.4918 0.8250 0.8284 1.2258 1.2369 1.5204 1.5271 1.8756 1.8818 2.5063 2.5075 2.7106 2.7155 11.6048 11.6125 12.5727 12.5827 13.0403 13.0509 13.9229 13.9275 k =-0.1719 0.1853 0.2528 ( 2329 PWs) bands (ev): -18.0986 -18.0985 -15.5834 -15.5805 -15.0859 -15.0827 -14.9117 -14.9072 -7.2959 -7.2950 -4.3530 -4.3480 -4.0885 -4.0832 -3.1573 -3.1477 -0.6871 -0.6802 0.5455 0.5462 0.8126 0.8156 1.2548 1.2654 1.5146 1.5211 1.8560 1.8621 2.5139 2.5151 2.7163 2.7213 11.5641 11.5709 12.4946 12.5046 13.0676 13.0773 13.9197 13.9242 k =-0.1650 0.1779 0.2427 ( 2319 PWs) bands (ev): -18.1209 -18.1208 -15.5484 -15.5456 -15.0825 -15.0794 -14.9054 -14.9011 -7.3424 -7.3416 -4.3421 -4.3373 -4.1023 -4.0970 -3.1753 -3.1659 -0.6751 -0.6684 0.6006 0.6012 0.7989 0.8016 1.2839 1.2942 1.5092 1.5156 1.8366 1.8427 2.5216 2.5226 2.7208 2.7259 11.5203 11.5262 12.4181 12.4282 13.0978 13.1068 13.9164 13.9208 k =-0.1582 0.1705 0.2326 ( 2319 PWs) bands (ev): -18.1426 -18.1425 -15.5138 -15.5111 -15.0791 -15.0761 -14.8993 -14.8951 -7.3878 -7.3871 -4.3317 -4.3270 -4.1152 -4.1099 -3.1941 -3.1849 -0.6628 -0.6562 0.6560 0.6565 0.7840 0.7865 1.3129 1.3229 1.5044 1.5106 1.8175 1.8235 2.5291 2.5302 2.7242 2.7293 11.4733 11.4784 12.3441 12.3542 13.1304 13.1387 13.9130 13.9172 k =-0.1513 0.1631 0.2224 ( 2327 PWs) bands (ev): -18.1638 -18.1637 -15.4796 -15.4770 -15.0758 -15.0730 -14.8934 -14.8893 -7.4321 -7.4315 -4.3216 -4.3172 -4.1271 -4.1218 -3.2136 -3.2047 -0.6502 -0.6438 0.7110 0.7114 0.7688 0.7710 1.3417 1.3514 1.5000 1.5061 1.7988 1.8047 2.5367 2.5377 2.7263 2.7314 11.4233 11.4276 12.2732 12.2833 13.1651 13.1728 13.9092 13.9134 k =-0.1444 0.1557 0.2123 ( 2327 PWs) bands (ev): -18.1844 -18.1843 -15.4459 -15.4435 -15.0726 -15.0699 -14.8876 -14.8838 -7.4751 -7.4746 -4.3120 -4.3077 -4.1381 -4.1329 -3.2338 -3.2252 -0.6374 -0.6312 0.7489 0.7514 0.7690 0.7705 1.3700 1.3797 1.4960 1.5020 1.7804 1.7863 2.5443 2.5452 2.7273 2.7324 11.3707 11.3742 12.2057 12.2159 13.2015 13.2086 13.9053 13.9094 k =-0.1375 0.1482 0.2022 ( 2327 PWs) bands (ev): -18.2042 -18.2042 -15.4129 -15.4106 -15.0695 -15.0669 -14.8821 -14.8784 -7.5169 -7.5164 -4.3026 -4.2986 -4.1481 -4.1429 -3.2545 -3.2461 -0.6244 -0.6185 0.7347 0.7368 0.8217 0.8223 1.3976 1.4074 1.4924 1.4984 1.7626 1.7684 2.5518 2.5528 2.7271 2.7321 11.3157 11.3185 12.1419 12.1520 13.2394 13.2460 13.9012 13.9051 k =-0.1307 0.1408 0.1921 ( 2323 PWs) bands (ev): -18.2234 -18.2233 -15.3807 -15.3784 -15.0665 -15.0640 -14.8767 -14.8732 -7.5572 -7.5568 -4.2936 -4.2898 -4.1572 -4.1521 -3.2756 -3.2675 -0.6113 -0.6056 0.7186 0.7205 0.8750 0.8755 1.4244 1.4345 1.4893 1.4954 1.7454 1.7512 2.5594 2.5604 2.7258 2.7308 11.2588 11.2610 12.0819 12.0919 13.2786 13.2847 13.8969 13.9007 k =-0.1238 0.1334 0.1820 ( 2323 PWs) bands (ev): -18.2418 -18.2417 -15.3493 -15.3472 -15.0636 -15.0612 -14.8715 -14.8682 -7.5961 -7.5957 -4.2850 -4.2813 -4.1653 -4.1603 -3.2970 -3.2892 -0.5982 -0.5927 0.7024 0.7042 0.9270 0.9275 1.4496 1.4608 1.4866 1.4936 1.7290 1.7347 2.5669 2.5679 2.7236 2.7284 11.2005 11.2023 12.0258 12.0355 13.3187 13.3243 13.8925 13.8961 k =-0.1169 0.1260 0.1719 ( 2327 PWs) bands (ev): -18.2594 -18.2593 -15.3188 -15.3168 -15.0608 -15.0586 -14.8666 -14.8634 -7.6334 -7.6331 -4.2767 -4.2732 -4.1725 -4.1676 -3.3186 -3.3110 -0.5851 -0.5799 0.6865 0.6882 0.9772 0.9778 1.4707 1.4830 1.4877 1.4956 1.7132 1.7191 2.5743 2.5753 2.7205 2.7251 11.1416 11.1428 11.9733 11.9827 13.3594 13.3646 13.8879 13.8913 k =-0.1100 0.1186 0.1618 ( 2327 PWs) bands (ev): -18.2761 -18.2761 -15.2895 -15.2876 -15.0582 -15.0561 -14.8619 -14.8589 -7.6691 -7.6689 -4.2687 -4.2655 -4.1788 -4.1739 -3.3401 -3.3329 -0.5721 -0.5671 0.6710 0.6726 1.0254 1.0261 1.4796 1.4827 1.5083 1.5121 1.6984 1.7044 2.5816 2.5825 2.7166 2.7211 11.0824 11.0834 11.9245 11.9335 13.4004 13.4053 13.8831 13.8864 k =-0.1032 0.1112 0.1517 ( 2327 PWs) bands (ev): -18.2921 -18.2920 -15.2612 -15.2595 -15.0557 -15.0537 -14.8574 -14.8546 -7.7032 -7.7030 -4.2611 -4.2581 -4.1842 -4.1795 -3.3616 -3.3546 -0.5593 -0.5546 0.6562 0.6577 1.0709 1.0718 1.4806 1.4823 1.5295 1.5356 1.6845 1.6908 2.5887 2.5896 2.7121 2.7163 11.0237 11.0244 11.8791 11.8878 13.4415 13.4459 13.8783 13.8815 k =-0.0963 0.1038 0.1416 ( 2323 PWs) bands (ev): -18.3071 -18.3070 -15.2343 -15.2326 -15.0533 -15.0514 -14.8532 -14.8506 -7.7354 -7.7353 -4.2538 -4.2510 -4.1887 -4.1842 -3.3827 -3.3761 -0.5468 -0.5424 0.6420 0.6434 1.1133 1.1144 1.4810 1.4826 1.5509 1.5582 1.6716 1.6784 2.5956 2.5965 2.7070 2.7111 10.9661 10.9666 11.8372 11.8453 13.4822 13.4863 13.8735 13.8765 k =-0.0894 0.0964 0.1314 ( 2319 PWs) bands (ev): -18.3212 -18.3211 -15.2087 -15.2072 -15.0510 -15.0493 -14.8492 -14.8468 -7.7658 -7.7657 -4.2469 -4.2444 -4.1924 -4.1881 -3.4034 -3.3972 -0.5347 -0.5305 0.6285 0.6298 1.1521 1.1535 1.4826 1.4840 1.5712 1.5797 1.6598 1.6675 2.6022 2.6031 2.7015 2.7054 10.9101 10.9104 11.7985 11.8061 13.5223 13.5260 13.8687 13.8715 k =-0.0825 0.0889 0.1213 ( 2309 PWs) bands (ev): -18.3343 -18.3343 -15.1845 -15.1832 -15.0489 -15.0473 -14.8455 -14.8433 -7.7943 -7.7942 -4.2404 -4.2381 -4.1953 -4.1912 -3.4235 -3.4176 -0.5230 -0.5191 0.6159 0.6171 1.1867 1.1884 1.4859 1.4869 1.5897 1.6001 1.6490 1.6585 2.6086 2.6094 2.6958 2.6995 10.8562 10.8564 11.7629 11.7699 13.5612 13.5646 13.8641 13.8667 k =-0.0756 0.0815 0.1112 ( 2309 PWs) bands (ev): -18.3465 -18.3464 -15.1619 -15.1607 -15.0470 -15.0455 -14.8421 -14.8401 -7.8208 -7.8208 -4.2344 -4.2323 -4.1976 -4.1937 -3.4428 -3.4373 -0.5118 -0.5083 0.6042 0.6053 1.2166 1.2185 1.4911 1.4918 1.6049 1.6191 1.6394 1.6525 2.6146 2.6153 2.6900 2.6934 10.8050 10.8051 11.7303 11.7368 13.5988 13.6019 13.8595 13.8619 k =-0.0688 0.0741 0.1011 ( 2319 PWs) bands (ev): -18.3577 -18.3577 -15.1410 -15.1399 -15.0451 -15.0438 -14.8389 -14.8371 -7.8453 -7.8452 -4.2287 -4.2269 -4.1992 -4.1956 -3.4613 -3.4561 -0.5013 -0.4980 0.5933 0.5943 1.2415 1.2435 1.4986 1.4990 1.6140 1.6307 1.6368 1.6525 2.6201 2.6208 2.6841 2.6873 10.7567 10.7568 11.7007 11.7067 13.6347 13.6375 13.8552 13.8574 k =-0.0619 0.0667 0.0910 ( 2315 PWs) bands (ev): -18.3679 -18.3678 -15.1217 -15.1207 -15.0435 -15.0423 -14.8360 -14.8344 -7.8676 -7.8676 -4.2236 -4.2220 -4.2002 -4.1969 -3.4785 -3.4738 -0.4915 -0.4885 0.5835 0.5844 1.2612 1.2634 1.5084 1.5085 1.6154 1.6233 1.6530 1.6599 2.6252 2.6258 2.6784 2.6813 10.7120 10.7120 11.6741 11.6794 13.6684 13.6709 13.8511 13.8531 k =-0.0550 0.0593 0.0809 ( 2311 PWs) bands (ev): -18.3770 -18.3770 -15.1043 -15.1034 -15.0420 -15.0409 -14.8335 -14.8320 -7.8878 -7.8878 -4.2189 -4.2176 -4.2006 -4.1978 -3.4946 -3.4903 -0.4824 -0.4798 0.5746 0.5754 1.2761 1.2784 1.5198 1.5199 1.6127 1.6169 1.6677 1.6710 2.6299 2.6304 2.6730 2.6756 10.6710 10.6710 11.6503 11.6550 13.6996 13.7019 13.8474 13.8493 k =-0.0481 0.0519 0.0708 ( 2315 PWs) bands (ev): -18.3851 -18.3851 -15.0887 -15.0880 -15.0406 -15.0397 -14.8312 -14.8299 -7.9058 -7.9057 -4.2148 -4.2137 -4.2006 -4.1983 -3.5092 -3.5053 -0.4742 -0.4719 0.5667 0.5674 1.2870 1.2891 1.5321 1.5324 1.6091 1.6115 1.6809 1.6825 2.6341 2.6344 2.6680 2.6704 10.6341 10.6341 11.6293 11.6335 13.7279 13.7300 13.8442 13.8458 k =-0.0413 0.0445 0.0607 ( 2313 PWs) bands (ev): -18.3922 -18.3922 -15.0751 -15.0745 -15.0394 -15.0386 -14.8292 -14.8281 -7.9214 -7.9214 -4.2113 -4.2104 -4.2003 -4.1984 -3.5221 -3.5188 -0.4669 -0.4649 0.5599 0.5605 1.2945 1.2964 1.5446 1.5449 1.6057 1.6071 1.6924 1.6932 2.6376 2.6379 2.6636 2.6656 10.6016 10.6016 11.6112 11.6148 13.7529 13.7548 13.8415 13.8430 k =-0.0344 0.0371 0.0506 ( 2317 PWs) bands (ev): -18.3982 -18.3982 -15.0635 -15.0630 -15.0383 -15.0377 -14.8275 -14.8266 -7.9347 -7.9347 -4.2084 -4.2077 -4.1996 -4.1983 -3.5334 -3.5306 -0.4606 -0.4590 0.5541 0.5546 1.2995 1.3012 1.5563 1.5565 1.6030 1.6040 1.7023 1.7026 2.6405 2.6407 2.6598 2.6616 10.5737 10.5737 11.5960 11.5989 13.7743 13.7760 13.8396 13.8408 k =-0.0275 0.0296 0.0404 ( 2313 PWs) bands (ev): -18.4031 -18.4031 -15.0541 -15.0536 -15.0373 -15.0368 -14.8261 -14.8254 -7.9457 -7.9457 -4.2063 -4.2055 -4.1986 -4.1979 -3.5427 -3.5404 -0.4554 -0.4540 0.5493 0.5498 1.3028 1.3042 1.5662 1.5663 1.6015 1.6021 1.7104 1.7105 2.6427 2.6428 2.6569 2.6583 10.5506 10.5506 11.5835 11.5859 13.7914 13.7929 13.8387 13.8398 k =-0.0206 0.0222 0.0303 ( 2315 PWs) bands (ev): -18.4069 -18.4069 -15.0469 -15.0465 -15.0363 -15.0360 -14.8250 -14.8244 -7.9542 -7.9542 -4.2047 -4.2040 -4.1977 -4.1974 -3.5501 -3.5483 -0.4512 -0.4502 0.5457 0.5460 1.3048 1.3059 1.5734 1.5735 1.6013 1.6017 1.7167 1.7167 2.6439 2.6441 2.6549 2.6561 10.5324 10.5325 11.5739 11.5757 13.8039 13.8051 13.8392 13.8400 k =-0.0138 0.0148 0.0202 ( 2309 PWs) bands (ev): -18.4097 -18.4097 -15.0421 -15.0418 -15.0351 -15.0350 -14.8241 -14.8238 -7.9604 -7.9603 -4.2036 -4.2030 -4.1969 -4.1968 -3.5553 -3.5541 -0.4481 -0.4475 0.5430 0.5433 1.3061 1.3068 1.5777 1.5778 1.6022 1.6025 1.7213 1.7213 2.6444 2.6446 2.6540 2.6548 10.5194 10.5194 11.5671 11.5683 13.8116 13.8124 13.8411 13.8416 k =-0.0069 0.0074 0.0101 ( 2305 PWs) bands (ev): -18.4113 -18.4113 -15.0397 -15.0396 -15.0339 -15.0339 -14.8236 -14.8235 -7.9640 -7.9640 -4.2030 -4.2026 -4.1964 -4.1964 -3.5583 -3.5578 -0.4462 -0.4459 0.5415 0.5416 1.3068 1.3072 1.5797 1.5798 1.6035 1.6036 1.7240 1.7240 2.6445 2.6446 2.6538 2.6542 10.5116 10.5116 11.5632 11.5638 13.8153 13.8157 13.8433 13.8436 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.4119 -18.4119 -15.0390 -15.0390 -15.0333 -15.0333 -14.8234 -14.8234 -7.9653 -7.9653 -4.2026 -4.2026 -4.1962 -4.1962 -3.5592 -3.5592 -0.4455 -0.4455 0.5410 0.5410 1.3072 1.3072 1.5804 1.5804 1.6041 1.6041 1.7249 1.7249 2.6445 2.6445 2.6540 2.6540 10.5089 10.5089 11.5621 11.5621 13.8165 13.8165 13.8443 13.8443 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.4119 -18.4119 -15.0390 -15.0390 -15.0333 -15.0333 -14.8234 -14.8234 -7.9653 -7.9653 -4.2026 -4.2026 -4.1962 -4.1962 -3.5592 -3.5592 -0.4455 -0.4455 0.5410 0.5410 1.3072 1.3072 1.5804 1.5804 1.6041 1.6041 1.7249 1.7249 2.6445 2.6445 2.6540 2.6540 10.5089 10.5089 11.5621 11.5621 13.8165 13.8165 13.8443 13.8443 k = 0.0104 0.0097 0.0000 ( 2301 PWs) bands (ev): -18.4112 -18.4112 -15.0391 -15.0391 -15.0335 -15.0335 -14.8248 -14.8248 -7.9635 -7.9635 -4.2018 -4.2018 -4.1954 -4.1954 -3.5600 -3.5600 -0.4447 -0.4447 0.5402 0.5402 1.3072 1.3072 1.5796 1.5796 1.6033 1.6033 1.7233 1.7233 2.6444 2.6444 2.6539 2.6539 10.5115 10.5115 11.5638 11.5638 13.8147 13.8147 13.8425 13.8425 k = 0.0208 0.0193 0.0000 ( 2309 PWs) bands (ev): -18.4094 -18.4094 -15.0395 -15.0395 -15.0338 -15.0338 -14.8290 -14.8290 -7.9580 -7.9580 -4.1992 -4.1992 -4.1928 -4.1928 -3.5623 -3.5623 -0.4426 -0.4426 0.5377 0.5377 1.3070 1.3070 1.5772 1.5772 1.6010 1.6010 1.7183 1.7183 2.6442 2.6442 2.6538 2.6538 10.5191 10.5191 11.5691 11.5691 13.8094 13.8094 13.8371 13.8371 k = 0.0312 0.0290 0.0000 ( 2317 PWs) bands (ev): -18.4064 -18.4064 -15.0400 -15.0400 -15.0344 -15.0344 -14.8360 -14.8360 -7.9490 -7.9490 -4.1950 -4.1950 -4.1886 -4.1886 -3.5663 -3.5663 -0.4390 -0.4390 0.5335 0.5335 1.3068 1.3068 1.5732 1.5732 1.5970 1.5970 1.7100 1.7100 2.6439 2.6439 2.6536 2.6536 10.5317 10.5317 11.5779 11.5779 13.8006 13.8006 13.8282 13.8282 k = 0.0417 0.0387 0.0000 ( 2313 PWs) bands (ev): -18.4022 -18.4022 -15.0408 -15.0408 -15.0352 -15.0352 -14.8458 -14.8458 -7.9363 -7.9363 -4.1892 -4.1892 -4.1827 -4.1827 -3.5718 -3.5718 -0.4339 -0.4339 0.5277 0.5277 1.3064 1.3064 1.5676 1.5676 1.5915 1.5915 1.6986 1.6986 2.6435 2.6435 2.6533 2.6533 10.5492 10.5492 11.5902 11.5902 13.7885 13.7885 13.8159 13.8159 k = 0.0521 0.0483 0.0000 ( 2317 PWs) bands (ev): -18.3968 -18.3968 -15.0418 -15.0418 -15.0362 -15.0362 -14.8583 -14.8583 -7.9202 -7.9202 -4.1817 -4.1817 -4.1752 -4.1752 -3.5789 -3.5789 -0.4275 -0.4275 0.5203 0.5203 1.3058 1.3058 1.5604 1.5604 1.5843 1.5843 1.6841 1.6841 2.6430 2.6430 2.6531 2.6531 10.5717 10.5717 11.6058 11.6058 13.7732 13.7732 13.8003 13.8003 k = 0.0625 0.0580 0.0000 ( 2317 PWs) bands (ev): -18.3901 -18.3901 -15.0431 -15.0431 -15.0374 -15.0374 -14.8734 -14.8734 -7.9005 -7.9005 -4.1725 -4.1725 -4.1660 -4.1660 -3.5876 -3.5876 -0.4196 -0.4196 0.5114 0.5114 1.3048 1.3048 1.5516 1.5516 1.5756 1.5756 1.6668 1.6668 2.6426 2.6426 2.6528 2.6528 10.5989 10.5989 11.6248 11.6248 13.7549 13.7549 13.7817 13.7817 k = 0.0729 0.0677 0.0000 ( 2317 PWs) bands (ev): -18.3823 -18.3823 -15.0445 -15.0445 -15.0388 -15.0388 -14.8912 -14.8912 -7.8774 -7.8774 -4.1617 -4.1617 -4.1552 -4.1552 -3.5979 -3.5979 -0.4103 -0.4103 0.5009 0.5009 1.3034 1.3034 1.5410 1.5410 1.5651 1.5651 1.6469 1.6469 2.6422 2.6422 2.6527 2.6527 10.6308 10.6308 11.6471 11.6471 13.7338 13.7338 13.7603 13.7603 k = 0.0833 0.0773 0.0000 ( 2317 PWs) bands (ev): -18.3733 -18.3733 -15.0462 -15.0462 -15.0405 -15.0405 -14.9115 -14.9115 -7.8510 -7.8510 -4.1494 -4.1494 -4.1428 -4.1428 -3.6096 -3.6096 -0.3997 -0.3997 0.4889 0.4889 1.3012 1.3012 1.5288 1.5288 1.5530 1.5530 1.6246 1.6246 2.6419 2.6419 2.6527 2.6527 10.6673 10.6673 11.6725 11.6725 13.7102 13.7102 13.7363 13.7363 k = 0.0938 0.0870 0.0000 ( 2309 PWs) bands (ev): -18.3631 -18.3631 -15.0480 -15.0480 -15.0423 -15.0423 -14.9342 -14.9342 -7.8213 -7.8213 -4.1355 -4.1355 -4.1288 -4.1288 -3.6230 -3.6230 -0.3877 -0.3877 0.4756 0.4756 1.2982 1.2982 1.5148 1.5148 1.5391 1.5391 1.6005 1.6005 2.6419 2.6419 2.6528 2.6528 10.7082 10.7082 11.7009 11.7009 13.6843 13.6843 13.7100 13.7100 k = 0.1042 0.0966 0.0000 ( 2305 PWs) bands (ev): -18.3518 -18.3518 -15.0501 -15.0501 -15.0443 -15.0443 -14.9593 -14.9593 -7.7885 -7.7885 -4.1200 -4.1200 -4.1134 -4.1134 -3.6378 -3.6378 -0.3743 -0.3743 0.4608 0.4608 1.2939 1.2939 1.4991 1.4991 1.5235 1.5235 1.5748 1.5748 2.6421 2.6421 2.6533 2.6533 10.7533 10.7533 11.7323 11.7323 13.6563 13.6563 13.6815 13.6815 k = 0.1146 0.1063 0.0000 ( 2313 PWs) bands (ev): -18.3393 -18.3393 -15.0523 -15.0523 -15.0465 -15.0465 -14.9866 -14.9866 -7.7526 -7.7526 -4.1031 -4.1031 -4.0964 -4.0964 -3.6542 -3.6542 -0.3596 -0.3596 0.4448 0.4448 1.2877 1.2877 1.4816 1.4816 1.5061 1.5061 1.5482 1.5482 2.6425 2.6425 2.6539 2.6539 10.8025 10.8025 11.7665 11.7665 13.6265 13.6265 13.6513 13.6513 k = 0.1250 0.1160 0.0000 ( 2309 PWs) bands (ev): -18.3256 -18.3256 -15.0548 -15.0548 -15.0489 -15.0489 -15.0160 -15.0160 -7.7137 -7.7137 -4.0848 -4.0848 -4.0780 -4.0780 -3.6721 -3.6721 -0.3436 -0.3436 0.4276 0.4276 1.2791 1.2791 1.4625 1.4625 1.4870 1.4870 1.5215 1.5215 2.6434 2.6434 2.6550 2.6550 10.8556 10.8556 11.8033 11.8033 13.5952 13.5952 13.6195 13.6195 k = 0.1354 0.1256 0.0000 ( 2297 PWs) bands (ev): -18.3108 -18.3108 -15.0583 -15.0583 -15.0514 -15.0514 -15.0466 -15.0466 -7.6719 -7.6719 -4.0651 -4.0651 -4.0581 -4.0581 -3.6915 -3.6915 -0.3263 -0.3263 0.4094 0.4094 1.2671 1.2671 1.4419 1.4419 1.4661 1.4661 1.4955 1.4955 2.6447 2.6447 2.6564 2.6564 10.9124 10.9124 11.8426 11.8426 13.5625 13.5625 13.5864 13.5864 k = 0.1458 0.1353 0.0000 ( 2305 PWs) bands (ev): -18.2949 -18.2949 -15.0821 -15.0821 -15.0591 -15.0591 -15.0541 -15.0541 -7.6275 -7.6275 -4.0440 -4.0440 -4.0370 -4.0370 -3.7124 -3.7124 -0.3078 -0.3078 0.3900 0.3900 1.2509 1.2509 1.4199 1.4199 1.4434 1.4434 1.4711 1.4711 2.6465 2.6465 2.6583 2.6583 10.9726 10.9726 11.8842 11.8842 13.5288 13.5288 13.5522 13.5522 k = 0.1562 0.1450 0.0000 ( 2306 PWs) bands (ev): -18.2779 -18.2779 -15.1171 -15.1171 -15.0622 -15.0622 -15.0569 -15.0569 -7.5804 -7.5804 -4.0216 -4.0216 -4.0145 -4.0145 -3.7348 -3.7348 -0.2882 -0.2882 0.3698 0.3698 1.2298 1.2298 1.3966 1.3966 1.4191 1.4191 1.4492 1.4492 2.6487 2.6487 2.6606 2.6606 11.0361 11.0361 11.9278 11.9278 13.4942 13.4942 13.5172 13.5172 k = 0.1667 0.1546 0.0000 ( 2306 PWs) bands (ev): -18.2599 -18.2599 -15.1541 -15.1541 -15.0652 -15.0652 -15.0598 -15.0598 -7.5307 -7.5307 -3.9981 -3.9981 -3.9908 -3.9908 -3.7586 -3.7586 -0.2673 -0.2673 0.3487 0.3487 1.2034 1.2034 1.3718 1.3718 1.3930 1.3930 1.4304 1.4304 2.6515 2.6515 2.6634 2.6634 11.1027 11.1027 11.9734 11.9734 13.4590 13.4590 13.4815 13.4815 k = 0.1771 0.1643 0.0000 ( 2306 PWs) bands (ev): -18.2407 -18.2407 -15.1927 -15.1927 -15.0683 -15.0683 -15.0628 -15.0628 -7.4788 -7.4788 -3.9733 -3.9733 -3.9660 -3.9660 -3.7839 -3.7839 -0.2454 -0.2454 0.3270 0.3270 1.1720 1.1720 1.3452 1.3452 1.3654 1.3654 1.4150 1.4150 2.6548 2.6548 2.6667 2.6667 11.1721 11.1721 12.0207 12.0207 13.4233 13.4233 13.4453 13.4453 k = 0.1875 0.1740 0.0000 ( 2306 PWs) bands (ev): -18.2205 -18.2205 -15.2328 -15.2328 -15.0715 -15.0715 -15.0660 -15.0660 -7.4245 -7.4245 -3.9475 -3.9475 -3.9400 -3.9400 -3.8107 -3.8107 -0.2225 -0.2225 0.3047 0.3047 1.1363 1.1363 1.3170 1.3170 1.3362 1.3362 1.4023 1.4023 2.6587 2.6587 2.6705 2.6705 11.2441 11.2441 12.0696 12.0696 13.3873 13.3873 13.4089 13.4089 k = 0.1979 0.1836 0.0000 ( 2294 PWs) bands (ev): -18.1993 -18.1993 -15.2743 -15.2743 -15.0747 -15.0747 -15.0692 -15.0692 -7.3681 -7.3681 -3.9208 -3.9208 -3.9131 -3.9131 -3.8389 -3.8389 -0.1986 -0.1986 0.2821 0.2821 1.0972 1.0972 1.2870 1.2870 1.3055 1.3055 1.3918 1.3918 2.6631 2.6631 2.6749 2.6749 11.3184 11.3184 12.1197 12.1197 13.3513 13.3513 13.3724 13.3724 k = 0.2083 0.1933 0.0000 ( 2298 PWs) bands (ev): -18.1771 -18.1771 -15.3170 -15.3170 -15.0780 -15.0780 -15.0725 -15.0725 -7.3097 -7.3097 -3.8937 -3.8937 -3.8853 -3.8853 -3.8680 -3.8680 -0.1738 -0.1738 0.2591 0.2591 1.0555 1.0555 1.2556 1.2556 1.2735 1.2735 1.3827 1.3827 2.6680 2.6680 2.6797 2.6797 11.3948 11.3948 12.1708 12.1708 13.3153 13.3153 13.3360 13.3360 k = 0.2188 0.2030 0.0000 ( 2290 PWs) bands (ev): -18.1539 -18.1539 -15.3608 -15.3608 -15.0813 -15.0813 -15.0758 -15.0758 -7.2495 -7.2495 -3.9008 -3.9008 -3.8635 -3.8635 -3.8564 -3.8564 -0.1483 -0.1483 0.2361 0.2361 1.0120 1.0120 1.2229 1.2229 1.2402 1.2402 1.3743 1.3743 2.6735 2.6735 2.6850 2.6850 11.4731 11.4731 12.2228 12.2228 13.2795 13.2795 13.2998 13.2998 k = 0.2292 0.2126 0.0000 ( 2286 PWs) bands (ev): -18.1299 -18.1299 -15.4056 -15.4056 -15.0847 -15.0847 -15.0792 -15.0792 -7.1874 -7.1874 -3.9331 -3.9331 -3.8346 -3.8346 -3.8269 -3.8269 -0.1223 -0.1223 0.2132 0.2132 0.9671 0.9671 1.1890 1.1890 1.2057 1.2057 1.3662 1.3662 2.6794 2.6794 2.6907 2.6907 11.5529 11.5529 12.2753 12.2753 13.2440 13.2440 13.2638 13.2638 k = 0.2396 0.2223 0.0000 ( 2290 PWs) bands (ev): -18.1049 -18.1049 -15.4512 -15.4512 -15.0881 -15.0881 -15.0826 -15.0826 -7.1238 -7.1238 -3.9672 -3.9672 -3.8046 -3.8046 -3.7968 -3.7968 -0.0959 -0.0959 0.1909 0.1909 0.9214 0.9214 1.1542 1.1542 1.1703 1.1703 1.3581 1.3581 2.6858 2.6858 2.6968 2.6968 11.6340 11.6340 12.3282 12.3282 13.2089 13.2089 13.2284 13.2284 k = 0.2500 0.2319 0.0000 ( 2290 PWs) bands (ev): -18.0790 -18.0790 -15.4975 -15.4975 -15.0915 -15.0915 -15.0860 -15.0860 -7.0586 -7.0586 -4.0027 -4.0027 -3.7741 -3.7741 -3.7661 -3.7661 -0.0698 -0.0698 0.1695 0.1695 0.8752 0.8752 1.1184 1.1184 1.1340 1.1340 1.3497 1.3497 2.6925 2.6925 2.7034 2.7034 11.7161 11.7161 12.3812 12.3812 13.1744 13.1744 13.1935 13.1935 k = 0.2604 0.2416 0.0000 ( 2286 PWs) bands (ev): -18.0524 -18.0524 -15.5445 -15.5445 -15.0949 -15.0949 -15.0894 -15.0894 -6.9920 -6.9920 -4.0398 -4.0398 -3.7432 -3.7432 -3.7349 -3.7349 -0.0447 -0.0447 0.1501 0.1501 0.8290 0.8290 1.0819 1.0819 1.0970 1.0970 1.3407 1.3407 2.6996 2.6996 2.7102 2.7102 11.7990 11.7990 12.4340 12.4340 13.1406 13.1406 13.1593 13.1593 k = 0.2708 0.2513 0.0000 ( 2286 PWs) bands (ev): -18.0250 -18.0250 -15.5919 -15.5919 -15.0983 -15.0983 -15.0927 -15.0927 -6.9242 -6.9242 -4.0784 -4.0784 -3.7119 -3.7119 -3.7034 -3.7034 -0.0224 -0.0224 0.1343 0.1343 0.7831 0.7831 1.0450 1.0450 1.0595 1.0595 1.3312 1.3312 2.7070 2.7070 2.7173 2.7173 11.8824 11.8824 12.4864 12.4864 13.1076 13.1076 13.1259 13.1259 k = 0.2812 0.2609 0.0000 ( 2294 PWs) bands (ev): -17.9969 -17.9969 -15.6396 -15.6396 -15.1016 -15.1016 -15.0961 -15.0961 -6.8552 -6.8552 -4.1184 -4.1184 -3.6804 -3.6804 -3.6717 -3.6717 -0.0061 -0.0061 0.1254 0.1254 0.7377 0.7377 1.0076 1.0076 1.0216 1.0216 1.3208 1.3208 2.7146 2.7146 2.7246 2.7246 11.9658 11.9658 12.5382 12.5382 13.0754 13.0754 13.0933 13.0933 k = 0.2917 0.2706 0.0000 ( 2294 PWs) bands (ev): -17.9682 -17.9682 -15.6875 -15.6875 -15.1049 -15.1049 -15.0994 -15.0994 -6.7851 -6.7851 -4.1599 -4.1599 -3.6488 -3.6488 -3.6400 -3.6400 0.0002 0.0002 0.1275 0.1275 0.6930 0.6930 0.9701 0.9701 0.9835 0.9835 1.3096 1.3096 2.7224 2.7224 2.7321 2.7321 12.0491 12.0491 12.5891 12.5891 13.0442 13.0442 13.0617 13.0617 k = 0.3021 0.2803 0.0000 ( 2294 PWs) bands (ev): -17.9389 -17.9389 -15.7355 -15.7355 -15.1082 -15.1082 -15.1026 -15.1026 -6.7142 -6.7142 -4.2029 -4.2029 -3.6173 -3.6173 -3.6083 -3.6083 -0.0047 -0.0047 0.1417 0.1417 0.6495 0.6495 0.9325 0.9325 0.9454 0.9454 1.2975 1.2975 2.7303 2.7303 2.7397 2.7397 12.1319 12.1319 12.6389 12.6389 13.0141 13.0141 13.0312 13.0312 k = 0.3125 0.2899 0.0000 ( 2282 PWs) bands (ev): -17.9091 -17.9091 -15.7833 -15.7833 -15.1113 -15.1113 -15.1058 -15.1058 -6.6424 -6.6424 -4.2474 -4.2474 -3.5860 -3.5860 -3.5768 -3.5768 -0.0170 -0.0170 0.1642 0.1642 0.6074 0.6074 0.8952 0.8952 0.9075 0.9075 1.2844 1.2844 2.7383 2.7383 2.7473 2.7473 12.2138 12.2138 12.6874 12.6874 12.9851 12.9851 13.0017 13.0017 k = 0.3229 0.2996 0.0000 ( 2278 PWs) bands (ev): -17.8790 -17.8790 -15.8310 -15.8310 -15.1144 -15.1144 -15.1088 -15.1088 -6.5700 -6.5700 -4.2934 -4.2934 -3.5550 -3.5550 -3.5457 -3.5456 -0.0330 -0.0330 0.1911 0.1911 0.5668 0.5668 0.8582 0.8582 0.8700 0.8700 1.2703 1.2703 2.7463 2.7463 2.7549 2.7549 12.2945 12.2945 12.7343 12.7343 12.9573 12.9573 12.9735 12.9735 k = 0.3333 0.3093 0.0000 ( 2282 PWs) bands (ev): -17.8485 -17.8485 -15.8782 -15.8782 -15.1174 -15.1174 -15.1118 -15.1118 -6.4970 -6.4970 -4.3408 -4.3408 -3.5246 -3.5246 -3.5150 -3.5150 -0.0506 -0.0506 0.2200 0.2200 0.5284 0.5284 0.8218 0.8218 0.8331 0.8331 1.2551 1.2551 2.7542 2.7542 2.7625 2.7625 12.3735 12.3735 12.7794 12.7794 12.9309 12.9309 12.9465 12.9465 k = 0.3438 0.3189 0.0000 ( 2282 PWs) bands (ev): -17.8179 -17.8179 -15.9248 -15.9248 -15.1202 -15.1202 -15.1147 -15.1147 -6.4235 -6.4235 -4.3897 -4.3897 -3.4948 -3.4948 -3.4851 -3.4851 -0.0685 -0.0685 0.2494 0.2494 0.4927 0.4927 0.7862 0.7862 0.7970 0.7970 1.2389 1.2389 2.7619 2.7620 2.7699 2.7699 12.4506 12.4506 12.8221 12.8221 12.9062 12.9062 12.9208 12.9208 k = 0.3542 0.3286 0.0000 ( 2290 PWs) bands (ev): -17.7873 -17.7873 -15.9706 -15.9706 -15.1229 -15.1229 -15.1174 -15.1174 -6.3497 -6.3497 -4.4400 -4.4400 -3.4659 -3.4659 -3.4559 -3.4559 -0.0863 -0.0863 0.2777 0.2777 0.4609 0.4609 0.7515 0.7515 0.7619 0.7619 1.2216 1.2216 2.7695 2.7695 2.7771 2.7771 12.5253 12.5253 12.8588 12.8588 12.8868 12.8868 12.8966 12.8966 k = 0.3646 0.3383 0.0000 ( 2298 PWs) bands (ev): -17.7568 -17.7568 -16.0155 -16.0155 -15.1255 -15.1255 -15.1200 -15.1200 -6.2757 -6.2757 -4.4917 -4.4917 -3.4380 -3.4380 -3.4278 -3.4278 -0.1036 -0.1036 0.3018 0.3018 0.4358 0.4358 0.7181 0.7181 0.7280 0.7280 1.2033 1.2033 2.7769 2.7769 2.7841 2.7841 12.5971 12.5971 12.8551 12.8551 12.8734 12.8734 12.9074 12.9074 k = 0.3750 0.3479 0.0000 ( 2306 PWs) bands (ev): -17.7266 -17.7266 -16.0591 -16.0591 -15.1280 -15.1280 -15.1224 -15.1224 -6.2016 -6.2016 -4.5448 -4.5448 -3.4112 -3.4112 -3.4008 -3.4008 -0.1202 -0.1202 0.3149 0.3149 0.4241 0.4241 0.6861 0.6861 0.6955 0.6955 1.1840 1.1840 2.7839 2.7839 2.7908 2.7908 12.6658 12.6658 12.8355 12.8355 12.8521 12.8521 12.9427 12.9427 k = 0.3854 0.3576 0.0000 ( 2314 PWs) bands (ev): -17.6970 -17.6970 -16.1013 -16.1013 -15.1303 -15.1303 -15.1247 -15.1247 -6.1275 -6.1275 -4.5992 -4.5992 -3.3857 -3.3857 -3.3752 -3.3752 -0.1359 -0.1359 0.3109 0.3109 0.4317 0.4317 0.6557 0.6557 0.6647 0.6647 1.1638 1.1638 2.7906 2.7906 2.7972 2.7972 12.7306 12.7306 12.8164 12.8164 12.8322 12.8322 12.9766 12.9766 k = 0.3958 0.3673 0.0000 ( 2314 PWs) bands (ev): -17.6681 -17.6681 -16.1417 -16.1417 -15.1324 -15.1324 -15.1269 -15.1269 -6.0536 -6.0536 -4.6549 -4.6549 -3.3618 -3.3618 -3.3511 -3.3511 -0.1505 -0.1505 0.2950 0.2950 0.4535 0.4535 0.6271 0.6271 0.6357 0.6357 1.1429 1.1429 2.7969 2.7969 2.8032 2.8032 12.7886 12.7886 12.8014 12.8014 12.8141 12.8141 13.0082 13.0082 k = 0.4062 0.3769 0.0000 ( 2314 PWs) bands (ev): -17.6403 -17.6403 -16.1801 -16.1801 -15.1343 -15.1343 -15.1288 -15.1288 -5.9801 -5.9801 -4.7118 -4.7118 -3.3395 -3.3395 -3.3287 -3.3287 -0.1640 -0.1640 0.2752 0.2752 0.4812 0.4812 0.6005 0.6005 0.6088 0.6088 1.1212 1.1212 2.8028 2.8028 2.8087 2.8087 12.7813 12.7813 12.7970 12.7970 12.8493 12.8493 13.0373 13.0373 k = 0.4167 0.3866 0.0000 ( 2314 PWs) bands (ev): -17.6138 -17.6138 -16.2161 -16.2161 -15.1361 -15.1361 -15.1306 -15.1306 -5.9070 -5.9070 -4.7697 -4.7697 -3.3191 -3.3191 -3.3081 -3.3081 -0.1763 -0.1763 0.2552 0.2552 0.5111 0.5111 0.5762 0.5762 0.5841 0.5841 1.0990 1.0990 2.8082 2.8082 2.8138 2.8138 12.7668 12.7668 12.7820 12.7820 12.9008 12.9008 13.0637 13.0637 k = 0.4271 0.3962 0.0000 ( 2314 PWs) bands (ev): -17.5890 -17.5890 -16.2494 -16.2494 -15.1377 -15.1377 -15.1321 -15.1321 -5.8348 -5.8348 -4.8285 -4.8285 -3.3006 -3.3006 -3.2895 -3.2895 -0.1873 -0.1873 0.2364 0.2364 0.5409 0.5409 0.5545 0.5545 0.5619 0.5619 1.0765 1.0765 2.8130 2.8130 2.8183 2.8183 12.7537 12.7537 12.7687 12.7687 12.9472 12.9472 13.0872 13.0872 k = 0.4375 0.4059 0.0000 ( 2314 PWs) bands (ev): -17.5663 -17.5663 -16.2795 -16.2795 -15.1390 -15.1390 -15.1335 -15.1335 -5.7636 -5.7636 -4.8879 -4.8879 -3.2843 -3.2843 -3.2730 -3.2730 -0.1970 -0.1970 0.2197 0.2197 0.5346 0.5346 0.5419 0.5419 0.5714 0.5714 1.0540 1.0540 2.8173 2.8173 2.8223 2.8223 12.7423 12.7423 12.7571 12.7571 12.9881 12.9881 13.1080 13.1080 k = 0.4479 0.4156 0.0000 ( 2314 PWs) bands (ev): -17.5461 -17.5461 -16.3060 -16.3060 -15.1402 -15.1402 -15.1347 -15.1347 -5.6939 -5.6939 -4.9475 -4.9475 -3.2703 -3.2703 -3.2588 -3.2588 -0.2053 -0.2053 0.2051 0.2051 0.5180 0.5180 0.5250 0.5250 0.5997 0.5997 1.0320 1.0320 2.8210 2.8210 2.8258 2.8258 12.7325 12.7325 12.7472 12.7472 13.0231 13.0231 13.1258 13.1258 k = 0.4583 0.4252 0.0000 ( 2314 PWs) bands (ev): -17.5288 -17.5288 -16.3284 -16.3284 -15.1412 -15.1412 -15.1357 -15.1357 -5.6266 -5.6266 -5.0065 -5.0065 -3.2586 -3.2586 -3.2471 -3.2471 -0.2121 -0.2121 0.1931 0.1931 0.5041 0.5041 0.5110 0.5110 0.6258 0.6258 1.0113 1.0113 2.8240 2.8240 2.8286 2.8286 12.7246 12.7246 12.7390 12.7390 13.0519 13.0519 13.1406 13.1406 k = 0.4688 0.4349 0.0000 ( 2322 PWs) bands (ev): -17.5148 -17.5148 -16.3464 -16.3464 -15.1419 -15.1419 -15.1364 -15.1364 -5.5630 -5.5630 -5.0636 -5.0636 -3.2494 -3.2494 -3.2378 -3.2378 -0.2174 -0.2174 0.1836 0.1836 0.4932 0.4932 0.4999 0.4999 0.6487 0.6487 0.9926 0.9926 2.8264 2.8264 2.8308 2.8308 12.7183 12.7183 12.7327 12.7327 13.0743 13.0743 13.1524 13.1524 k = 0.4792 0.4446 0.0000 ( 2338 PWs) bands (ev): -17.5045 -17.5045 -16.3596 -16.3596 -15.1425 -15.1425 -15.1370 -15.1370 -5.5063 -5.5063 -5.1157 -5.1157 -3.2428 -3.2428 -3.2311 -3.2311 -0.2213 -0.2213 0.1768 0.1768 0.4853 0.4853 0.4919 0.4919 0.6670 0.6670 0.9775 0.9775 2.8281 2.8281 2.8324 2.8324 12.7138 12.7138 12.7281 12.7281 13.0904 13.0904 13.1610 13.1610 k = 0.4896 0.4542 0.0000 ( 2346 PWs) bands (ev): -17.4982 -17.4982 -16.3676 -16.3676 -15.1428 -15.1428 -15.1373 -15.1373 -5.4631 -5.4631 -5.1561 -5.1561 -3.2388 -3.2388 -3.2271 -3.2271 -0.2236 -0.2236 0.1727 0.1727 0.4805 0.4805 0.4871 0.4871 0.6789 0.6789 0.9674 0.9674 2.8292 2.8292 2.8334 2.8334 12.7111 12.7111 12.7254 12.7254 13.0999 13.0999 13.1662 13.1662 k = 0.5000 0.4639 0.0000 ( 2350 PWs) bands (ev): -17.4961 -17.4961 -16.3703 -16.3703 -15.1429 -15.1429 -15.1374 -15.1374 -5.4459 -5.4459 -5.1724 -5.1724 -3.2375 -3.2375 -3.2258 -3.2258 -0.2244 -0.2244 0.1713 0.1713 0.4790 0.4790 0.4855 0.4855 0.6831 0.6831 0.9638 0.9638 2.8295 2.8295 2.8337 2.8337 12.7102 12.7102 12.7245 12.7245 13.1031 13.1031 13.1680 13.1680 k = 0.5000 0.4639 0.0000 ( 2350 PWs) bands (ev): -17.4961 -17.4961 -16.3703 -16.3703 -15.1429 -15.1429 -15.1374 -15.1374 -5.4459 -5.4459 -5.1724 -5.1724 -3.2375 -3.2375 -3.2258 -3.2258 -0.2244 -0.2244 0.1713 0.1713 0.4790 0.4790 0.4855 0.4855 0.6831 0.6831 0.9638 0.9638 2.8295 2.8295 2.8337 2.8337 12.7102 12.7102 12.7245 12.7245 13.1031 13.1031 13.1680 13.1680 k = 0.4932 0.4712 0.0100 ( 2346 PWs) bands (ev): -17.4961 -17.4961 -16.3705 -16.3702 -15.1431 -15.1427 -15.1374 -15.1374 -5.4462 -5.4460 -5.1730 -5.1724 -3.2378 -3.2374 -3.2261 -3.2256 -0.2270 -0.2254 0.1646 0.1676 0.4753 0.4770 0.4905 0.4929 0.6862 0.6874 0.9658 0.9662 2.8289 2.8293 2.8331 2.8335 12.7081 12.7099 12.7231 12.7234 13.1041 13.1058 13.1694 13.1697 k = 0.4864 0.4785 0.0199 ( 2331 PWs) bands (ev): -17.4960 -17.4960 -16.3706 -16.3702 -15.1432 -15.1425 -15.1373 -15.1372 -5.4468 -5.4466 -5.1740 -5.1728 -3.2386 -3.2379 -3.2261 -3.2250 -0.2334 -0.2302 0.1498 0.1554 0.4607 0.4628 0.5139 0.5169 0.6955 0.6977 0.9722 0.9731 2.8274 2.8283 2.8318 2.8325 12.7036 12.7069 12.7196 12.7203 13.1088 13.1120 13.1741 13.1745 k = 0.4797 0.4858 0.0299 ( 2323 PWs) bands (ev): -17.4959 -17.4958 -16.3709 -16.3701 -15.1434 -15.1424 -15.1371 -15.1369 -5.4482 -5.4478 -5.1753 -5.1735 -3.2406 -3.2400 -3.2253 -3.2233 -0.2438 -0.2391 0.1313 0.1388 0.4389 0.4414 0.5492 0.5527 0.7086 0.7114 0.9830 0.9843 2.8249 2.8263 2.8297 2.8307 12.6963 12.7008 12.7143 12.7158 13.1166 13.1210 13.1821 13.1826 k = 0.4729 0.4931 0.0399 ( 2315 PWs) bands (ev): -17.4957 -17.4957 -16.3711 -16.3701 -15.1437 -15.1424 -15.1367 -15.1363 -5.4505 -5.4500 -5.1764 -5.1741 -3.2445 -3.2438 -3.2230 -3.2201 -0.2584 -0.2525 0.1129 0.1218 0.4127 0.4154 0.5922 0.5959 0.7232 0.7263 0.9981 0.9998 2.8214 2.8233 2.8271 2.8284 12.6860 12.6913 12.7081 12.7107 13.1270 13.1323 13.1938 13.1943 k = 0.4661 0.5004 0.0498 ( 2311 PWs) bands (ev): -17.4955 -17.4955 -16.3713 -16.3701 -15.1442 -15.1426 -15.1360 -15.1353 -5.4544 -5.4538 -5.1768 -5.1740 -3.2501 -3.2493 -3.2193 -3.2155 -0.2774 -0.2705 0.0974 0.1072 0.3837 0.3866 0.6400 0.6438 0.7384 0.7416 1.0172 1.0191 2.8168 2.8191 2.8240 2.8254 12.6727 12.6786 12.7014 12.7053 13.1394 13.1451 13.2092 13.2098 k = 0.4593 0.5078 0.0598 ( 2311 PWs) bands (ev): -17.4954 -17.4954 -16.3714 -16.3700 -15.1449 -15.1431 -15.1349 -15.1340 -5.4604 -5.4596 -5.1760 -5.1727 -3.2573 -3.2564 -3.2145 -3.2099 -0.3006 -0.2930 0.0862 0.0964 0.3532 0.3561 0.6895 0.6934 0.7547 0.7576 1.0398 1.0419 2.8110 2.8138 2.8203 2.8218 12.6566 12.6628 12.6947 12.6998 13.1533 13.1590 13.2280 13.2293 k = 0.4525 0.5151 0.0698 ( 2315 PWs) bands (ev): -17.4954 -17.4954 -16.3714 -16.3698 -15.1458 -15.1437 -15.1335 -15.1323 -5.4690 -5.4680 -5.1734 -5.1697 -3.2659 -3.2648 -3.2087 -3.2034 -0.3274 -0.3194 0.0797 0.0901 0.3218 0.3247 0.7333 0.7381 0.7779 0.7802 1.0653 1.0676 2.8041 2.8073 2.8162 2.8177 12.6381 12.6445 12.6882 12.6942 13.1684 13.1738 13.2502 13.2523 k = 0.4458 0.5224 0.0798 ( 2315 PWs) bands (ev): -17.4956 -17.4955 -16.3713 -16.3694 -15.1468 -15.1446 -15.1318 -15.1303 -5.4807 -5.4795 -5.1685 -5.1644 -3.2758 -3.2746 -3.2020 -3.1961 -0.3571 -0.3490 0.0779 0.0882 0.2900 0.2930 0.7584 0.7643 0.8197 0.8230 1.0932 1.0956 2.7960 2.7996 2.8115 2.8131 12.6173 12.6240 12.6821 12.6888 13.1847 13.1897 13.2754 13.2784 k = 0.4390 0.5297 0.0897 ( 2309 PWs) bands (ev): -17.4959 -17.4959 -16.3709 -16.3688 -15.1479 -15.1455 -15.1297 -15.1281 -5.4958 -5.4944 -5.1609 -5.1566 -3.2870 -3.2856 -3.1946 -3.1880 -0.3888 -0.3808 0.0803 0.0903 0.2583 0.2612 0.7725 0.7785 0.8739 0.8772 1.1230 1.1254 2.7868 2.7908 2.8063 2.8080 12.5945 12.6014 12.6766 12.6839 13.2021 13.2067 13.3031 13.3070 k = 0.4322 0.5370 0.0997 ( 2305 PWs) bands (ev): -17.4965 -17.4965 -16.3702 -16.3679 -15.1491 -15.1464 -15.1274 -15.1255 -5.5145 -5.5128 -5.1505 -5.1460 -3.2994 -3.2979 -3.1866 -3.1794 -0.4218 -0.4140 0.0863 0.0959 0.2269 0.2297 0.7833 0.7894 0.9317 0.9349 1.1540 1.1566 2.7765 2.7808 2.8007 2.8023 12.5700 12.5770 12.6717 12.6794 13.2207 13.2249 13.3331 13.3377 k = 0.4254 0.5443 0.1097 ( 2301 PWs) bands (ev): -17.4975 -17.4975 -16.3691 -16.3666 -15.1502 -15.1475 -15.1248 -15.1227 -5.5366 -5.5347 -5.1375 -5.1327 -3.3129 -3.3113 -3.1780 -3.1702 -0.4553 -0.4477 0.0955 0.1045 0.1961 0.1988 0.7929 0.7991 0.9908 0.9937 1.1860 1.1888 2.7649 2.7697 2.7945 2.7962 12.5440 12.5511 12.6676 12.6757 13.2407 13.2445 13.3647 13.3700 k = 0.4186 0.5516 0.1196 ( 2301 PWs) bands (ev): -17.4990 -17.4989 -16.3675 -16.3649 -15.1514 -15.1485 -15.1220 -15.1196 -5.5621 -5.5599 -5.1218 -5.1169 -3.3276 -3.3258 -3.1689 -3.1607 -0.4888 -0.4814 0.1073 0.1155 0.1662 0.1687 0.8018 0.8082 1.0504 1.0529 1.2186 1.2216 2.7521 2.7573 2.7879 2.7896 12.5166 12.5238 12.6644 12.6727 13.2619 13.2654 13.3977 13.4035 k = 0.4118 0.5589 0.1296 ( 2305 PWs) bands (ev): -17.5010 -17.5009 -16.3653 -16.3626 -15.1525 -15.1494 -15.1189 -15.1163 -5.5906 -5.5882 -5.1038 -5.0987 -3.3433 -3.3414 -3.1595 -3.1508 -0.5217 -0.5145 0.1211 0.1254 0.1385 0.1420 0.8105 0.8170 1.1099 1.1120 1.2517 1.2551 2.7382 2.7437 2.7808 2.7826 12.4881 12.4954 12.6621 12.6706 13.2843 13.2876 13.4316 13.4380 k = 0.4051 0.5662 0.1396 ( 2305 PWs) bands (ev): -17.5035 -17.5035 -16.3625 -16.3596 -15.1536 -15.1503 -15.1156 -15.1128 -5.6220 -5.6194 -5.0837 -5.0785 -3.3600 -3.3579 -3.1499 -3.1407 -0.5537 -0.5466 0.1063 0.1098 0.1385 0.1478 0.8190 0.8257 1.1687 1.1702 1.2853 1.2894 2.7230 2.7289 2.7734 2.7752 12.4587 12.4662 12.6607 12.6694 13.3080 13.3110 13.4663 13.4730 k = 0.3983 0.5735 0.1495 ( 2305 PWs) bands (ev): -17.5068 -17.5067 -16.3589 -16.3558 -15.1545 -15.1511 -15.1120 -15.1090 -5.6560 -5.6532 -5.0618 -5.0565 -3.3777 -3.3755 -3.1400 -3.1305 -0.5844 -0.5775 0.0798 0.0829 0.1564 0.1649 0.8275 0.8344 1.2259 1.2267 1.3198 1.3250 2.7066 2.7128 2.7656 2.7675 12.4286 12.4363 12.6603 12.6691 13.3328 13.3355 13.5014 13.5085 k = 0.3915 0.5808 0.1595 ( 2301 PWs) bands (ev): -17.5109 -17.5108 -16.3544 -16.3512 -15.1553 -15.1518 -15.1081 -15.1049 -5.6923 -5.6894 -5.0384 -5.0329 -3.3963 -3.3939 -3.1301 -3.1202 -0.6136 -0.6068 0.0541 0.0569 0.1761 0.1841 0.8360 0.8431 1.2789 1.2808 1.3564 1.3632 2.6891 2.6956 2.7575 2.7594 12.3981 12.4060 12.6609 12.6698 13.3585 13.3610 13.5365 13.5440 k = 0.3847 0.5881 0.1695 ( 2301 PWs) bands (ev): -17.5158 -17.5157 -16.3490 -16.3457 -15.1560 -15.1523 -15.1041 -15.1007 -5.7308 -5.7277 -5.0137 -5.0081 -3.4156 -3.4131 -3.1202 -3.1100 -0.6412 -0.6344 0.0298 0.0324 0.1974 0.2050 0.8447 0.8520 1.3260 1.3295 1.3974 1.4058 2.6703 2.6772 2.7492 2.7511 12.3674 12.3754 12.6624 12.6713 13.3850 13.3873 13.5716 13.5794 k = 0.3779 0.5955 0.1795 ( 2303 PWs) bands (ev): -17.5217 -17.5216 -16.3425 -16.3391 -15.1565 -15.1527 -15.0998 -15.0962 -5.7711 -5.7679 -4.9879 -4.9822 -3.4358 -3.4331 -3.1104 -3.0998 -0.6668 -0.6601 0.0069 0.0093 0.2200 0.2273 0.8535 0.8610 1.3662 1.3706 1.4444 1.4536 2.6505 2.6576 2.7406 2.7426 12.3366 12.3448 12.6647 12.6737 13.4121 13.4143 13.6062 13.6144 k = 0.3712 0.6028 0.1894 ( 2303 PWs) bands (ev): -17.5285 -17.5285 -16.3349 -16.3314 -15.1568 -15.1529 -15.0953 -15.0916 -5.8132 -5.8099 -4.9613 -4.9554 -3.4566 -3.4538 -3.1007 -3.0899 -0.6905 -0.6839 -0.0143 -0.0121 0.2439 0.2508 0.8625 0.8702 1.4004 1.4049 1.4962 1.5054 2.6296 2.6370 2.7319 2.7339 12.3059 12.3144 12.6680 12.6770 13.4396 13.4416 13.6402 13.6486 k = 0.3644 0.6101 0.1994 ( 2295 PWs) bands (ev): -17.5364 -17.5364 -16.3260 -16.3224 -15.1569 -15.1529 -15.0906 -15.0867 -5.8569 -5.8535 -4.9340 -4.9281 -3.4781 -3.4752 -3.0913 -3.0803 -0.7121 -0.7055 -0.0338 -0.0317 0.2689 0.2755 0.8716 0.8795 1.4305 1.4348 1.5504 1.5593 2.6077 2.6153 2.7231 2.7251 12.2755 12.2842 12.6721 12.6810 13.4670 13.4690 13.6734 13.6821 k = 0.3576 0.6174 0.2094 ( 2293 PWs) bands (ev): -17.5455 -17.5454 -16.3159 -16.3122 -15.1567 -15.1527 -15.0858 -15.0816 -5.9019 -5.8986 -4.9064 -4.9003 -3.5002 -3.4971 -3.0822 -3.0710 -0.7315 -0.7249 -0.0513 -0.0494 0.2948 0.3013 0.8809 0.8890 1.4575 1.4615 1.6051 1.6137 2.5849 2.5927 2.7143 2.7163 12.2455 12.2545 12.6769 12.6858 13.4940 13.4961 13.7054 13.7143 k = 0.3576 0.6174 0.2094 ( 2293 PWs) bands (ev): -17.5455 -17.5454 -16.3159 -16.3122 -15.1567 -15.1527 -15.0858 -15.0816 -5.9019 -5.8986 -4.9064 -4.9003 -3.5002 -3.4971 -3.0822 -3.0710 -0.7315 -0.7249 -0.0513 -0.0494 0.2948 0.3013 0.8809 0.8890 1.4575 1.4615 1.6051 1.6137 2.5849 2.5927 2.7143 2.7163 12.2455 12.2545 12.6769 12.6858 13.4940 13.4961 13.7054 13.7143 k = 0.3453 0.6134 0.2148 ( 2296 PWs) bands (ev): -17.5517 -17.5516 -16.3089 -16.3052 -15.1564 -15.1524 -15.0829 -15.0787 -5.9298 -5.9265 -4.8886 -4.8825 -3.5129 -3.5097 -3.0781 -3.0668 -0.7406 -0.7340 -0.0595 -0.0577 0.3098 0.3161 0.8842 0.8925 1.4723 1.4763 1.6355 1.6440 2.5721 2.5801 2.7093 2.7114 12.2298 12.2389 12.6800 12.6889 13.5071 13.5092 13.7219 13.7310 k = 0.3329 0.6094 0.2203 ( 2300 PWs) bands (ev): -17.5595 -17.5595 -16.2999 -16.2961 -15.1557 -15.1517 -15.0799 -15.0756 -5.9629 -5.9596 -4.8665 -4.8604 -3.5264 -3.5231 -3.0755 -3.0641 -0.7477 -0.7410 -0.0662 -0.0642 0.3258 0.3319 0.8842 0.8927 1.4884 1.4927 1.6667 1.6752 2.5594 2.5674 2.7041 2.7063 12.2152 12.2244 12.6836 12.6925 13.5172 13.5194 13.7371 13.7463 k = 0.3206 0.6054 0.2257 ( 2304 PWs) bands (ev): -17.5689 -17.5689 -16.2891 -16.2854 -15.1547 -15.1506 -15.0767 -15.0723 -6.0002 -5.9969 -4.8410 -4.8348 -3.5406 -3.5373 -3.0744 -3.0630 -0.7529 -0.7463 -0.0713 -0.0691 0.3427 0.3487 0.8810 0.8899 1.5057 1.5104 1.6984 1.7067 2.5470 2.5550 2.6988 2.7011 12.2016 12.2109 12.6879 12.6968 13.5243 13.5265 13.7513 13.7604 k = 0.3083 0.6014 0.2312 ( 2308 PWs) bands (ev): -17.5795 -17.5795 -16.2769 -16.2732 -15.1533 -15.1491 -15.0733 -15.0688 -6.0408 -6.0375 -4.8127 -4.8065 -3.5554 -3.5520 -3.0747 -3.0633 -0.7564 -0.7498 -0.0750 -0.0725 0.3606 0.3664 0.8750 0.8843 1.5238 1.5289 1.7300 1.7383 2.5350 2.5431 2.6934 2.6960 12.1892 12.1985 12.6927 12.7017 13.5285 13.5306 13.7644 13.7735 k = 0.2959 0.5974 0.2366 ( 2308 PWs) bands (ev): -17.5912 -17.5912 -16.2636 -16.2598 -15.1514 -15.1473 -15.0697 -15.0651 -6.0838 -6.0805 -4.7825 -4.7762 -3.5704 -3.5670 -3.0765 -3.0650 -0.7581 -0.7515 -0.0775 -0.0746 0.3794 0.3851 0.8667 0.8764 1.5421 1.5477 1.7613 1.7696 2.5237 2.5317 2.6881 2.6910 12.1779 12.1873 12.6983 12.7072 13.5299 13.5319 13.7765 13.7855 k = 0.2836 0.5934 0.2421 ( 2316 PWs) bands (ev): -17.6037 -17.6037 -16.2493 -16.2456 -15.1493 -15.1451 -15.0659 -15.0612 -6.1285 -6.1253 -4.7509 -4.7447 -3.5856 -3.5821 -3.0795 -3.0680 -0.7583 -0.7518 -0.0788 -0.0756 0.3991 0.4046 0.8563 0.8667 1.5603 1.5665 1.7919 1.8002 2.5134 2.5213 2.6830 2.6862 12.1678 12.1771 12.7045 12.7134 13.5286 13.5305 13.7876 13.7965 k = 0.2713 0.5894 0.2476 ( 2313 PWs) bands (ev): -17.6169 -17.6168 -16.2344 -16.2308 -15.1468 -15.1426 -15.0619 -15.0571 -6.1744 -6.1713 -4.7186 -4.7124 -3.6007 -3.5972 -3.0839 -3.0724 -0.7570 -0.7505 -0.0792 -0.0755 0.4195 0.4248 0.8446 0.8555 1.5777 1.5845 1.8213 1.8296 2.5043 2.5121 2.6783 2.6819 12.1589 12.1681 12.7113 12.7203 13.5250 13.5268 13.7977 13.8064 k = 0.2590 0.5854 0.2530 ( 2315 PWs) bands (ev): -17.6305 -17.6304 -16.2191 -16.2155 -15.1439 -15.1398 -15.0577 -15.0528 -6.2209 -6.2178 -4.6859 -4.6797 -3.6156 -3.6120 -3.0895 -3.0780 -0.7542 -0.7478 -0.0788 -0.0747 0.4403 0.4455 0.8318 0.8435 1.5940 1.6014 1.8494 1.8576 2.4966 2.5041 2.6741 2.6781 12.1511 12.1602 12.7188 12.7278 13.5194 13.5209 13.8067 13.8152 k = 0.2466 0.5814 0.2585 ( 2313 PWs) bands (ev): -17.6443 -17.6442 -16.2036 -16.2001 -15.1408 -15.1367 -15.0533 -15.0483 -6.2675 -6.2645 -4.6533 -4.6472 -3.6300 -3.6263 -3.0962 -3.0848 -0.7501 -0.7438 -0.0777 -0.0731 0.4615 0.4665 0.8187 0.8312 1.6086 1.6166 1.8757 1.8839 2.4905 2.4978 2.6707 2.6751 12.1444 12.1534 12.7269 12.7358 13.5119 13.5133 13.8145 13.8229 k = 0.2343 0.5774 0.2639 ( 2313 PWs) bands (ev): -17.6583 -17.6582 -16.1882 -16.1847 -15.1375 -15.1333 -15.0487 -15.0437 -6.3139 -6.3109 -4.6212 -4.6151 -3.6437 -3.6399 -3.1041 -3.0928 -0.7448 -0.7385 -0.0760 -0.0711 0.4824 0.4874 0.8059 0.8192 1.6209 1.6294 1.9002 1.9082 2.4859 2.4929 2.6684 2.6733 12.1388 12.1476 12.7356 12.7444 13.5028 13.5041 13.8213 13.8294 k = 0.2220 0.5734 0.2694 ( 2309 PWs) bands (ev): -17.6722 -17.6721 -16.1729 -16.1695 -15.1339 -15.1298 -15.0440 -15.0389 -6.3596 -6.3568 -4.5898 -4.5838 -3.6565 -3.6526 -3.1129 -3.1017 -0.7384 -0.7322 -0.0739 -0.0686 0.5025 0.5076 0.7943 0.8085 1.6305 1.6396 1.9227 1.9305 2.4829 2.4896 2.6674 2.6728 12.1343 12.1429 12.7447 12.7535 13.4924 13.4937 13.8270 13.8348 k = 0.2096 0.5694 0.2748 ( 2314 PWs) bands (ev): -17.6859 -17.6858 -16.1580 -16.1547 -15.1302 -15.1262 -15.0390 -15.0339 -6.4044 -6.4017 -4.5595 -4.5536 -3.6681 -3.6642 -3.1228 -3.1117 -0.7309 -0.7250 -0.0716 -0.0659 0.5208 0.5261 0.7850 0.8001 1.6369 1.6465 1.9432 1.9508 2.4811 2.4876 2.6682 2.6739 12.1309 12.1392 12.7543 12.7629 13.4809 13.4822 13.8315 13.8391 k = 0.1973 0.5654 0.2803 ( 2317 PWs) bands (ev): -17.6993 -17.6993 -16.1435 -16.1403 -15.1264 -15.1225 -15.0339 -15.0288 -6.4480 -6.4454 -4.5304 -4.5248 -3.6784 -3.6744 -3.1336 -3.1226 -0.7226 -0.7168 -0.0690 -0.0631 0.5362 0.5416 0.7795 0.7955 1.6398 1.6498 1.9619 1.9692 2.4803 2.4865 2.6710 2.6771 12.1284 12.1364 12.7641 12.7726 13.4686 13.4699 13.8351 13.8424 k = 0.1850 0.5614 0.2857 ( 2313 PWs) bands (ev): -17.7124 -17.7123 -16.1296 -16.1266 -15.1226 -15.1188 -15.0286 -15.0236 -6.4901 -6.4876 -4.5030 -4.4975 -3.6871 -3.6830 -3.1451 -3.1344 -0.7136 -0.7079 -0.0663 -0.0602 0.5474 0.5528 0.7794 0.7959 1.6390 1.6493 1.9791 1.9860 2.4799 2.4859 2.6761 2.6823 12.1269 12.1345 12.7742 12.7825 13.4557 13.4572 13.8378 13.8448 k = 0.1726 0.5574 0.2912 ( 2312 PWs) bands (ev): -17.7250 -17.7249 -16.1164 -16.1135 -15.1188 -15.1151 -15.0232 -15.0183 -6.5305 -6.5281 -4.4772 -4.4720 -3.6942 -3.6899 -3.1574 -3.1469 -0.7039 -0.6985 -0.0637 -0.0573 0.5534 0.5586 0.7860 0.8025 1.6342 1.6449 1.9949 2.0014 2.4796 2.4853 2.6835 2.6898 12.1262 12.1335 12.7843 12.7924 13.4424 13.4440 13.8396 13.8463 k = 0.1603 0.5534 0.2966 ( 2314 PWs) bands (ev): -17.7370 -17.7369 -16.1040 -16.1012 -15.1150 -15.1115 -15.0177 -15.0130 -6.5690 -6.5668 -4.4535 -4.4485 -3.6993 -3.6950 -3.1703 -3.1600 -0.6938 -0.6885 -0.0611 -0.0546 0.5540 0.5587 0.7995 0.8155 1.6256 1.6364 2.0096 2.0157 2.4790 2.4844 2.6932 2.6994 12.1263 12.1333 12.7944 12.8022 13.4289 13.4307 13.8407 13.8471 k = 0.1480 0.5494 0.3021 ( 2319 PWs) bands (ev): -17.7483 -17.7482 -16.0923 -16.0897 -15.1114 -15.1081 -15.0122 -15.0077 -6.6054 -6.6033 -4.4318 -4.4271 -3.7026 -3.6982 -3.1838 -3.1737 -0.6833 -0.6783 -0.0586 -0.0520 0.5498 0.5539 0.8193 0.8346 1.6132 1.6242 2.0233 2.0290 2.4780 2.4831 2.7048 2.7108 12.1272 12.1338 12.8042 12.8117 13.4155 13.4175 13.8413 13.8473 k = 0.1356 0.5454 0.3076 ( 2319 PWs) bands (ev): -17.7590 -17.7589 -16.0816 -16.0791 -15.1079 -15.1048 -15.0067 -15.0024 -6.6395 -6.6376 -4.4123 -4.4080 -3.7038 -3.6993 -3.1976 -3.1878 -0.6727 -0.6679 -0.0562 -0.0496 0.5421 0.5457 0.8439 0.8584 1.5974 1.6083 2.0362 2.0414 2.4764 2.4812 2.7180 2.7235 12.1287 12.1349 12.8137 12.8209 13.4023 13.4044 13.8414 13.8471 k = 0.1233 0.5414 0.3130 ( 2323 PWs) bands (ev): -17.7689 -17.7688 -16.0717 -16.0694 -15.1047 -15.1018 -15.0013 -14.9973 -6.6712 -6.6695 -4.3951 -4.3911 -3.7032 -3.6986 -3.2116 -3.2023 -0.6621 -0.6576 -0.0540 -0.0475 0.5321 0.5354 0.8722 0.8859 1.5783 1.5893 2.0482 2.0529 2.4745 2.4789 2.7321 2.7371 12.1308 12.1365 12.8227 12.8295 13.3895 13.3918 13.8411 13.8465 k = 0.1110 0.5374 0.3185 ( 2322 PWs) bands (ev): -17.7780 -17.7779 -16.0627 -16.0607 -15.1016 -15.0990 -14.9961 -14.9924 -6.7003 -6.6987 -4.3800 -4.3764 -3.7007 -3.6961 -3.2257 -3.2168 -0.6516 -0.6475 -0.0520 -0.0457 0.5209 0.5241 0.9032 0.9162 1.5564 1.5673 2.0593 2.0636 2.4722 2.4762 2.7466 2.7512 12.1332 12.1385 12.8311 12.8375 13.3774 13.3797 13.8407 13.8456 k = 0.0986 0.5334 0.3239 ( 2318 PWs) bands (ev): -17.7862 -17.7861 -16.0547 -16.0528 -15.0988 -15.0964 -14.9912 -14.9878 -6.7267 -6.7253 -4.3672 -4.3640 -3.6966 -3.6920 -3.2396 -3.2312 -0.6416 -0.6378 -0.0502 -0.0442 0.5093 0.5124 0.9359 0.9483 1.5322 1.5430 2.0696 2.0734 2.4697 2.4733 2.7610 2.7650 12.1360 12.1407 12.8389 12.8447 13.3661 13.3684 13.8402 13.8447 k = 0.0863 0.5294 0.3294 ( 2318 PWs) bands (ev): -17.7935 -17.7935 -16.0476 -16.0460 -15.0963 -15.0942 -14.9865 -14.9835 -6.7503 -6.7490 -4.3563 -4.3536 -3.6912 -3.6868 -3.2531 -3.2453 -0.6321 -0.6286 -0.0486 -0.0431 0.4980 0.5009 0.9697 0.9816 1.5059 1.5166 2.0789 2.0823 2.4672 2.4703 2.7748 2.7783 12.1389 12.1431 12.8458 12.8511 13.3557 13.3579 13.8397 13.8437 k = 0.0740 0.5254 0.3348 ( 2316 PWs) bands (ev): -17.8000 -17.7999 -16.0414 -16.0400 -15.0941 -15.0923 -14.9823 -14.9797 -6.7709 -6.7698 -4.3474 -4.3451 -3.6849 -3.6807 -3.2659 -3.2588 -0.6233 -0.6203 -0.0472 -0.0422 0.4875 0.4902 1.0042 1.0155 1.4781 1.4886 2.0872 2.0901 2.4648 2.4675 2.7876 2.7905 12.1419 12.1455 12.8519 12.8566 13.3464 13.3485 13.8392 13.8427 k = 0.0617 0.5214 0.3403 ( 2319 PWs) bands (ev): -17.8055 -17.8054 -16.0362 -16.0350 -15.0922 -15.0906 -14.9785 -14.9763 -6.7885 -6.7875 -4.3403 -4.3383 -3.6781 -3.6743 -3.2776 -3.2713 -0.6155 -0.6129 -0.0460 -0.0416 0.4781 0.4805 1.0387 1.0494 1.4494 1.4595 2.0944 2.0968 2.4625 2.4648 2.7990 2.8014 12.1447 12.1478 12.8571 12.8612 13.3384 13.3402 13.8388 13.8418 k = 0.0493 0.5174 0.3457 ( 2313 PWs) bands (ev): -17.8100 -17.8099 -16.0319 -16.0310 -15.0905 -15.0893 -14.9753 -14.9735 -6.8029 -6.8022 -4.3347 -4.3331 -3.6714 -3.6681 -3.2878 -3.2826 -0.6087 -0.6066 -0.0450 -0.0413 0.4701 0.4721 1.0725 1.0826 1.4206 1.4302 2.1004 2.1023 2.4606 2.4624 2.8087 2.8107 12.1473 12.1498 12.8615 12.8648 13.3317 13.3333 13.8385 13.8410 k = 0.0370 0.5134 0.3512 ( 2308 PWs) bands (ev): -17.8135 -17.8135 -16.0285 -16.0278 -15.0892 -15.0883 -14.9727 -14.9713 -6.8142 -6.8137 -4.3304 -4.3293 -3.6653 -3.6626 -3.2962 -3.2921 -0.6033 -0.6016 -0.0441 -0.0412 0.4637 0.4653 1.1045 1.1136 1.3928 1.4016 2.1052 2.1067 2.4591 2.4604 2.8166 2.8181 12.1495 12.1514 12.8649 12.8675 13.3265 13.3277 13.8384 13.8403 k = 0.0247 0.5094 0.3567 ( 2310 PWs) bands (ev): -17.8160 -17.8160 -16.0261 -16.0256 -15.0883 -15.0877 -14.9707 -14.9698 -6.8223 -6.8220 -4.3275 -4.3267 -3.6603 -3.6584 -3.3024 -3.2995 -0.5992 -0.5981 -0.0433 -0.0413 0.4592 0.4603 1.1330 1.1404 1.3684 1.3755 2.1088 2.1097 2.4580 2.4589 2.8224 2.8234 12.1513 12.1526 12.8675 12.8692 13.3228 13.3236 13.8384 13.8397 k = 0.0123 0.5054 0.3621 ( 2307 PWs) bands (ev): -17.8175 -17.8175 -16.0246 -16.0244 -15.0876 -15.0873 -14.9694 -14.9690 -6.8271 -6.8270 -4.3257 -4.3253 -3.6569 -3.6559 -3.3059 -3.3044 -0.5966 -0.5960 -0.0426 -0.0416 0.4565 0.4571 1.1547 1.1591 1.3510 1.3553 2.1110 2.1115 2.4574 2.4579 2.8260 2.8265 12.1525 12.1531 12.8692 12.8701 13.3206 13.3210 13.8385 13.8392 k = 0.0000 0.5014 0.3676 ( 2308 PWs) bands (ev): -17.8180 -17.8180 -16.0240 -16.0240 -15.0873 -15.0873 -14.9689 -14.9689 -6.8287 -6.8287 -4.3250 -4.3250 -3.6554 -3.6554 -3.3066 -3.3066 -0.5955 -0.5955 -0.0420 -0.0420 0.4558 0.4558 1.1646 1.1646 1.3459 1.3459 2.1119 2.1119 2.4574 2.4574 2.8274 2.8274 12.1531 12.1531 12.8701 12.8701 13.3200 13.3200 13.8388 13.8388 k = 0.0000 0.5014 0.3676 ( 2308 PWs) bands (ev): -17.8180 -17.8180 -16.0240 -16.0240 -15.0873 -15.0873 -14.9689 -14.9689 -6.8287 -6.8287 -4.3250 -4.3250 -3.6554 -3.6554 -3.3066 -3.3066 -0.5955 -0.5955 -0.0420 -0.0420 0.4558 0.4558 1.1646 1.1646 1.3459 1.3459 2.1119 2.1119 2.4574 2.4574 2.8274 2.8274 12.1531 12.1531 12.8701 12.8701 13.3200 13.3200 13.8388 13.8388 k = 0.0068 0.4941 0.3775 ( 2308 PWs) bands (ev): -17.8176 -17.8176 -16.0246 -16.0244 -15.0877 -15.0873 -14.9690 -14.9689 -6.8278 -6.8276 -4.3279 -4.3269 -3.6544 -3.6533 -3.3063 -3.3060 -0.5962 -0.5960 -0.0430 -0.0424 0.4555 0.4562 1.1657 1.1664 1.3462 1.3465 2.1112 2.1119 2.4572 2.4582 2.8269 2.8271 12.1540 12.1541 12.8700 12.8706 13.3177 13.3188 13.8387 13.8404 k = 0.0135 0.4868 0.3874 ( 2308 PWs) bands (ev): -17.8161 -17.8161 -16.0262 -16.0257 -15.0885 -15.0878 -14.9692 -14.9691 -6.8249 -6.8245 -4.3357 -4.3337 -3.6504 -3.6481 -3.3052 -3.3046 -0.5982 -0.5977 -0.0453 -0.0442 0.4553 0.4567 1.1695 1.1710 1.3474 1.3479 2.1098 2.1113 2.4576 2.4598 2.8256 2.8260 12.1568 12.1569 12.8701 12.8713 13.3118 13.3141 13.8401 13.8434 k = 0.0203 0.4796 0.3974 ( 2310 PWs) bands (ev): -17.8138 -17.8138 -16.0288 -16.0281 -15.0897 -15.0886 -14.9696 -14.9695 -6.8200 -6.8195 -4.3480 -4.3451 -3.6435 -3.6403 -3.3033 -3.3024 -0.6014 -0.6006 -0.0490 -0.0473 0.4552 0.4573 1.1759 1.1781 1.3494 1.3502 2.1077 2.1100 2.4588 2.4620 2.8234 2.8241 12.1615 12.1616 12.8706 12.8724 13.3027 13.3060 13.8428 13.8476 k = 0.0270 0.4723 0.4073 ( 2310 PWs) bands (ev): -17.8105 -17.8104 -16.0323 -16.0313 -15.0912 -15.0898 -14.9702 -14.9700 -6.8132 -6.8125 -4.3645 -4.3608 -3.6341 -3.6300 -3.3005 -3.2994 -0.6056 -0.6045 -0.0539 -0.0517 0.4553 0.4581 1.1849 1.1878 1.3523 1.3534 2.1050 2.1079 2.4607 2.4649 2.8205 2.8214 12.1679 12.1681 12.8713 12.8737 13.2908 13.2950 13.8463 13.8525 k = 0.0338 0.4650 0.4172 ( 2312 PWs) bands (ev): -17.8063 -17.8062 -16.0368 -16.0356 -15.0931 -15.0914 -14.9709 -14.9707 -6.8045 -6.8035 -4.3849 -4.3804 -3.6226 -3.6176 -3.2970 -3.2956 -0.6108 -0.6095 -0.0601 -0.0573 0.4556 0.4589 1.1962 1.1996 1.3561 1.3574 2.1016 2.1051 2.4634 2.4685 2.8168 2.8179 12.1762 12.1764 12.8722 12.8753 13.2765 13.2814 13.8503 13.8577 k = 0.0405 0.4577 0.4272 ( 2312 PWs) bands (ev): -17.8011 -17.8011 -16.0423 -16.0409 -15.0953 -15.0932 -14.9718 -14.9716 -6.7938 -6.7927 -4.4087 -4.4036 -3.6092 -3.6035 -3.2928 -3.2911 -0.6168 -0.6152 -0.0675 -0.0642 0.4561 0.4600 1.2095 1.2133 1.3608 1.3624 2.0975 2.1017 2.4668 2.4727 2.8123 2.8137 12.1862 12.1865 12.8733 12.8770 13.2602 13.2658 13.8543 13.8628 k = 0.0473 0.4504 0.4371 ( 2310 PWs) bands (ev): -17.7951 -17.7950 -16.0487 -16.0471 -15.0978 -15.0954 -14.9729 -14.9726 -6.7812 -6.7799 -4.4355 -4.4299 -3.5945 -3.5882 -3.2878 -3.2858 -0.6235 -0.6217 -0.0759 -0.0721 0.4569 0.4614 1.2244 1.2285 1.3664 1.3683 2.0929 2.0975 2.4709 2.4776 2.8071 2.8088 12.1979 12.1982 12.8745 12.8789 13.2426 13.2486 13.8577 13.8672 k = 0.0541 0.4431 0.4470 ( 2312 PWs) bands (ev): -17.7882 -17.7881 -16.0562 -16.0543 -15.1004 -15.0977 -14.9741 -14.9739 -6.7667 -6.7653 -4.4650 -4.4590 -3.5787 -3.5719 -3.2823 -3.2800 -0.6306 -0.6286 -0.0854 -0.0811 0.4582 0.4630 1.2404 1.2446 1.3731 1.3753 2.0877 2.0928 2.4757 2.4832 2.8012 2.8031 12.2113 12.2116 12.8757 12.8808 13.2239 13.2303 13.8602 13.8705 k = 0.0608 0.4359 0.4570 ( 2308 PWs) bands (ev): -17.7804 -17.7804 -16.0645 -16.0624 -15.1033 -15.1003 -14.9755 -14.9752 -6.7505 -6.7489 -4.4969 -4.4905 -3.5622 -3.5550 -3.2762 -3.2736 -0.6381 -0.6358 -0.0957 -0.0910 0.4598 0.4650 1.2570 1.2610 1.3810 1.3836 2.0821 2.0875 2.4813 2.4893 2.7947 2.7969 12.2263 12.2266 12.8768 12.8827 13.2048 13.2114 13.8614 13.8724 k = 0.0676 0.4286 0.4669 ( 2304 PWs) bands (ev): -17.7719 -17.7718 -16.0738 -16.0715 -15.1062 -15.1029 -14.9770 -14.9768 -6.7324 -6.7306 -4.5308 -4.5241 -3.5453 -3.5377 -3.2696 -3.2667 -0.6456 -0.6432 -0.1069 -0.1018 0.4619 0.4674 1.2734 1.2770 1.3903 1.3936 2.0762 2.0819 2.4874 2.4960 2.7875 2.7900 12.2427 12.2431 12.8777 12.8843 13.1855 13.1923 13.8608 13.8724 k = 0.0743 0.4213 0.4768 ( 2308 PWs) bands (ev): -17.7625 -17.7624 -16.0841 -16.0816 -15.1092 -15.1057 -14.9787 -14.9785 -6.7126 -6.7107 -4.5665 -4.5596 -3.5282 -3.5202 -3.2625 -3.2594 -0.6531 -0.6504 -0.1188 -0.1133 0.4644 0.4702 1.2888 1.2917 1.4013 1.4054 2.0703 2.0762 2.4941 2.5031 2.7798 2.7825 12.2605 12.2610 12.8783 12.8857 13.1666 13.1734 13.8583 13.8704 k = 0.0811 0.4140 0.4868 ( 2312 PWs) bands (ev): -17.7523 -17.7522 -16.0952 -16.0926 -15.1122 -15.1084 -14.9806 -14.9804 -6.6912 -6.6891 -4.6037 -4.5967 -3.5110 -3.5028 -3.2552 -3.2517 -0.6603 -0.6574 -0.1314 -0.1255 0.4675 0.4735 1.3025 1.3045 1.4142 1.4194 2.0645 2.0706 2.5012 2.5105 2.7715 2.7746 12.2797 12.2802 12.8783 12.8866 13.1483 13.1551 13.8536 13.8662 k = 0.0878 0.4067 0.4967 ( 2312 PWs) bands (ev): -17.7415 -17.7413 -16.1072 -16.1044 -15.1152 -15.1112 -14.9826 -14.9824 -6.6681 -6.6658 -4.6424 -4.6352 -3.4939 -3.4855 -3.2476 -3.2438 -0.6670 -0.6639 -0.1445 -0.1382 0.4713 0.4774 1.3138 1.3148 1.4291 1.4355 2.0592 2.0655 2.5085 2.5181 2.7628 2.7662 12.3000 12.3006 12.8777 12.8869 13.1310 13.1378 13.8467 13.8596 k = 0.0946 0.3994 0.5066 ( 2314 PWs) bands (ev): -17.7299 -17.7298 -16.1201 -16.1171 -15.1181 -15.1139 -14.9848 -14.9846 -6.6434 -6.6410 -4.6823 -4.6750 -3.4772 -3.4686 -3.2397 -3.2357 -0.6732 -0.6698 -0.1580 -0.1514 0.4756 0.4819 1.3219 1.3225 1.4459 1.4535 2.0547 2.0611 2.5161 2.5258 2.7536 2.7575 12.3214 12.3221 12.8764 12.8865 13.1150 13.1218 13.8375 13.8507 k = 0.1014 0.3922 0.5166 ( 2308 PWs) bands (ev): -17.7177 -17.7176 -16.1337 -16.1306 -15.1209 -15.1164 -14.9871 -14.9870 -6.6172 -6.6146 -4.7232 -4.7159 -3.4608 -3.4521 -3.2318 -3.2276 -0.6785 -0.6750 -0.1719 -0.1651 0.4807 0.4871 1.3267 1.3278 1.4642 1.4726 2.0515 2.0579 2.5236 2.5335 2.7442 2.7485 12.3437 12.3445 12.8742 12.8852 13.1006 13.1074 13.8260 13.8394 k = 0.1081 0.3849 0.5265 ( 2308 PWs) bands (ev): -17.7050 -17.7048 -16.1481 -16.1449 -15.1235 -15.1188 -14.9896 -14.9894 -6.5895 -6.5868 -4.7652 -4.7577 -3.4448 -3.4360 -3.2239 -3.2194 -0.6829 -0.6792 -0.1861 -0.1790 0.4865 0.4929 1.3286 1.3303 1.4832 1.4923 2.0497 2.0564 2.5309 2.5408 2.7346 2.7393 12.3668 12.3678 12.8711 12.8828 13.0880 13.0948 13.8123 13.8258 k = 0.1149 0.3776 0.5364 ( 2308 PWs) bands (ev): -17.6917 -17.6915 -16.1632 -16.1599 -15.1259 -15.1211 -14.9922 -14.9920 -6.5604 -6.5576 -4.8079 -4.8004 -3.4294 -3.4205 -3.2161 -3.2113 -0.6863 -0.6823 -0.2006 -0.1932 0.4930 0.4995 1.3277 1.3299 1.5024 1.5121 2.0499 2.0567 2.5379 2.5478 2.7248 2.7300 12.3906 12.3916 12.8670 12.8795 13.0773 13.0841 13.7965 13.8101 k = 0.1216 0.3703 0.5464 ( 2312 PWs) bands (ev): -17.6779 -17.6778 -16.1788 -16.1754 -15.1280 -15.1231 -14.9950 -14.9948 -6.5300 -6.5271 -4.8514 -4.8439 -3.4145 -3.4056 -3.2084 -3.2034 -0.6886 -0.6844 -0.2152 -0.2077 0.5004 0.5069 1.3240 1.3265 1.5214 1.5315 2.0524 2.0594 2.5444 2.5542 2.7150 2.7208 12.4148 12.4160 12.8621 12.8752 13.0685 13.0754 13.7787 13.7925 k = 0.1284 0.3630 0.5563 ( 2314 PWs) bands (ev): -17.6638 -17.6637 -16.1950 -16.1915 -15.1299 -15.1249 -14.9978 -14.9976 -6.4983 -6.4953 -4.8956 -4.8880 -3.4002 -3.3914 -3.2010 -3.1958 -0.6897 -0.6852 -0.2299 -0.2222 0.5086 0.5152 1.3175 1.3202 1.5398 1.5501 2.0573 2.0646 2.5501 2.5598 2.7054 2.7116 12.4392 12.4407 12.8566 12.8701 13.0615 13.0686 13.7593 13.7731 k = 0.1351 0.3558 0.5663 ( 2318 PWs) bands (ev): -17.6494 -17.6493 -16.2116 -16.2080 -15.1316 -15.1264 -15.0008 -15.0005 -6.4654 -6.4623 -4.9403 -4.9327 -3.3866 -3.3778 -3.1939 -3.1884 -0.6894 -0.6847 -0.2448 -0.2369 0.5178 0.5243 1.3080 1.3108 1.5573 1.5676 2.0647 2.0723 2.5550 2.5646 2.6959 2.7028 12.4638 12.4655 12.8507 12.8644 13.0563 13.0634 13.7384 13.7522 k = 0.1419 0.3485 0.5762 ( 2322 PWs) bands (ev): -17.6348 -17.6346 -16.2284 -16.2248 -15.1330 -15.1277 -15.0038 -15.0034 -6.4313 -6.4281 -4.9855 -4.9779 -3.3737 -3.3648 -3.1871 -3.1815 -0.6880 -0.6829 -0.2596 -0.2516 0.5279 0.5344 1.2957 1.2986 1.5739 1.5841 2.0747 2.0827 2.5589 2.5682 2.6868 2.6943 12.4882 12.4902 12.8446 12.8584 13.0526 13.0599 13.7162 13.7299 k = 0.1486 0.3412 0.5861 ( 2324 PWs) bands (ev): -17.6200 -17.6199 -16.2455 -16.2418 -15.1341 -15.1287 -15.0069 -15.0065 -6.3962 -6.3928 -5.0310 -5.0235 -3.3614 -3.3526 -3.1807 -3.1750 -0.6852 -0.6798 -0.2745 -0.2664 0.5391 0.5456 1.2805 1.2834 1.5895 1.5995 2.0871 2.0955 2.5616 2.5706 2.6783 2.6863 12.5124 12.5147 12.8386 12.8524 13.0503 13.0577 13.6930 13.7066 k = 0.1554 0.3339 0.5961 ( 2326 PWs) bands (ev): -17.6052 -17.6051 -16.2626 -16.2589 -15.1349 -15.1295 -15.0100 -15.0095 -6.3600 -6.3566 -5.0769 -5.0694 -3.3497 -3.3411 -3.1748 -3.1690 -0.6811 -0.6754 -0.2893 -0.2811 0.5513 0.5578 1.2626 1.2655 1.6041 1.6137 2.1017 2.1104 2.5632 2.5718 2.6703 2.6788 12.5359 12.5386 12.8330 12.8465 13.0492 13.0567 13.6690 13.6825 k = 0.1622 0.3266 0.6060 ( 2326 PWs) bands (ev): -17.5906 -17.5905 -16.2797 -16.2759 -15.1355 -15.1300 -15.0131 -15.0126 -6.3229 -6.3194 -5.1231 -5.1156 -3.3388 -3.3303 -3.1694 -3.1635 -0.6758 -0.6697 -0.3040 -0.2958 0.5646 0.5711 1.2421 1.2451 1.6177 1.6270 2.1180 2.1270 2.5636 2.5718 2.6629 2.6719 12.5587 12.5619 12.8278 12.8409 13.0491 13.0568 13.6445 13.6578 k = 0.1689 0.3193 0.6159 ( 2330 PWs) bands (ev): -17.5761 -17.5760 -16.2965 -16.2927 -15.1358 -15.1302 -15.0162 -15.0157 -6.2850 -6.2814 -5.1694 -5.1619 -3.3285 -3.3202 -3.1645 -3.1585 -0.6693 -0.6628 -0.3188 -0.3105 0.5791 0.5856 1.2194 1.2223 1.6304 1.6392 2.1357 2.1449 2.5629 2.5706 2.6562 2.6653 12.5805 12.5842 12.8233 12.8358 13.0501 13.0580 13.6198 13.6328 k = 0.1757 0.3121 0.6259 ( 2334 PWs) bands (ev): -17.5620 -17.5619 -16.3129 -16.3090 -15.1359 -15.1302 -15.0193 -15.0188 -6.2463 -6.2427 -5.2158 -5.2082 -3.3190 -3.3108 -3.1601 -3.1541 -0.6616 -0.6548 -0.3334 -0.3251 0.5947 0.6012 1.1946 1.1975 1.6422 1.6506 2.1543 2.1637 2.5615 2.5686 2.6499 2.6592 12.6010 12.6055 12.8193 12.8311 13.0521 13.0602 13.5950 13.6077 k = 0.1824 0.3048 0.6358 ( 2334 PWs) bands (ev): -17.5484 -17.5483 -16.3287 -16.3248 -15.1358 -15.1301 -15.0223 -15.0218 -6.2069 -6.2033 -5.2621 -5.2546 -3.3102 -3.3022 -3.1563 -3.1503 -0.6530 -0.6457 -0.3479 -0.3396 0.6116 0.6181 1.1681 1.1709 1.6532 1.6610 2.1733 2.1828 2.5595 2.5660 2.6439 2.6531 12.6203 12.6255 12.8159 12.8268 13.0550 13.0634 13.5704 13.5828 k = 0.1892 0.2975 0.6457 ( 2334 PWs) bands (ev): -17.5354 -17.5354 -16.3438 -16.3399 -15.1355 -15.1297 -15.0252 -15.0247 -6.1670 -6.1633 -5.3084 -5.3008 -3.3020 -3.2943 -3.1529 -3.1470 -0.6436 -0.6358 -0.3623 -0.3540 0.6296 0.6363 1.1401 1.1429 1.6633 1.6707 2.1923 2.2018 2.5573 2.5632 2.6381 2.6470 12.6381 12.6443 12.8130 12.8229 13.0590 13.0677 13.5464 13.5583 k = 0.1959 0.2902 0.6557 ( 2332 PWs) bands (ev): -17.5232 -17.5232 -16.3579 -16.3540 -15.1350 -15.1293 -15.0279 -15.0274 -6.1266 -6.1230 -5.3543 -5.3467 -3.2946 -3.2872 -3.1501 -3.1442 -0.6334 -0.6250 -0.3766 -0.3683 0.6489 0.6556 1.1111 1.1138 1.6726 1.6794 2.2108 2.2203 2.5553 2.5605 2.6321 2.6407 12.6543 12.6616 12.8104 12.8190 13.0639 13.0729 13.5232 13.5345 k = 0.2027 0.2829 0.6656 ( 2330 PWs) bands (ev): -17.5120 -17.5120 -16.3710 -16.3671 -15.1345 -15.1287 -15.0305 -15.0300 -6.0860 -6.0825 -5.3998 -5.3922 -3.2880 -3.2808 -3.1477 -3.1419 -0.6227 -0.6136 -0.3906 -0.3823 0.6693 0.6762 1.0812 1.0838 1.6809 1.6873 2.2284 2.2377 2.5539 2.5585 2.6258 2.6340 12.6690 12.6776 12.8078 12.8151 13.0698 13.0791 13.5011 13.5117 k = 0.2095 0.2756 0.6755 ( 2330 PWs) bands (ev): -17.5019 -17.5018 -16.3828 -16.3788 -15.1339 -15.1281 -15.0328 -15.0324 -6.0455 -6.0420 -5.4447 -5.4369 -3.2821 -3.2753 -3.1457 -3.1401 -0.6117 -0.6019 -0.4043 -0.3960 0.6908 0.6980 1.0509 1.0534 1.6884 1.6943 2.2446 2.2536 2.5532 2.5574 2.6193 2.6269 12.6821 12.6923 12.8052 12.8109 13.0764 13.0859 13.4805 13.4902 k = 0.2162 0.2684 0.6855 ( 2328 PWs) bands (ev): -17.4930 -17.4930 -16.3931 -16.3891 -15.1333 -15.1275 -15.0349 -15.0345 -6.0054 -6.0021 -5.4884 -5.4804 -3.2771 -3.2705 -3.1442 -3.1387 -0.6006 -0.5900 -0.4176 -0.4091 0.7132 0.7209 1.0205 1.0229 1.6948 1.7003 2.2591 2.2676 2.5536 2.5574 2.6124 2.6193 12.6938 12.7057 12.8024 12.8064 13.0835 13.0931 13.4618 13.4705 k = 0.2230 0.2611 0.6954 ( 2328 PWs) bands (ev): -17.4855 -17.4855 -16.4017 -16.3978 -15.1328 -15.1269 -15.0367 -15.0363 -5.9664 -5.9633 -5.5303 -5.5221 -3.2729 -3.2666 -3.1429 -3.1376 -0.5899 -0.5782 -0.4302 -0.4214 0.7364 0.7446 0.9903 0.9928 1.7002 1.7053 2.2715 2.2794 2.5551 2.5588 2.6052 2.6114 12.7038 12.7178 12.7994 12.8016 13.0905 13.1002 13.4455 13.4529 k = 0.2297 0.2538 0.7053 ( 2322 PWs) bands (ev): -17.4795 -17.4795 -16.4086 -16.4047 -15.1323 -15.1264 -15.0381 -15.0378 -5.9296 -5.9269 -5.5693 -5.5608 -3.2696 -3.2636 -3.1420 -3.1368 -0.5801 -0.5672 -0.4418 -0.4324 0.7596 0.7689 0.9610 0.9639 1.7044 1.7093 2.2815 2.2888 2.5579 2.5618 2.5979 2.6032 12.7123 12.7285 12.7957 12.7971 13.0970 13.1067 13.4322 13.4381 k = 0.2365 0.2465 0.7153 ( 2320 PWs) bands (ev): -17.4752 -17.4752 -16.4137 -16.4097 -15.1319 -15.1260 -15.0391 -15.0389 -5.8974 -5.8952 -5.6032 -5.5941 -3.2672 -3.2614 -3.1414 -3.1363 -0.5719 -0.5577 -0.4515 -0.4414 0.7818 0.7927 0.9334 0.9376 1.7075 1.7121 2.2889 2.2955 2.5617 2.5662 2.5908 2.5950 12.7188 12.7376 12.7908 12.7941 13.1023 13.1120 13.4225 13.4267 k = 0.2432 0.2392 0.7252 ( 2318 PWs) bands (ev): -17.4726 -17.4725 -16.4167 -16.4128 -15.1316 -15.1257 -15.0397 -15.0396 -5.8738 -5.8721 -5.6278 -5.6182 -3.2657 -3.2601 -3.1410 -3.1360 -0.5664 -0.5510 -0.4584 -0.4475 0.8000 0.8135 0.9103 0.9169 1.7094 1.7138 2.2934 2.2995 2.5659 2.5718 2.5845 2.5870 12.7229 12.7441 12.7867 12.7922 13.1058 13.1154 13.4168 13.4191 k = 0.2500 0.2319 0.7351 ( 2328 PWs) bands (ev): -17.4717 -17.4716 -16.4177 -16.4138 -15.1315 -15.1257 -15.0399 -15.0398 -5.8648 -5.8634 -5.6371 -5.6272 -3.2652 -3.2596 -3.1409 -3.1360 -0.5644 -0.5485 -0.4609 -0.4497 0.8077 0.8232 0.8998 0.9083 1.7100 1.7144 2.2949 2.3009 2.5683 2.5768 2.5807 2.5819 12.7243 12.7466 12.7849 12.7914 13.1070 13.1166 13.4152 13.4161 k = 0.2500 0.2319 0.7351 ( 2328 PWs) bands (ev): -17.4717 -17.4716 -16.4177 -16.4138 -15.1315 -15.1257 -15.0399 -15.0398 -5.8648 -5.8634 -5.6371 -5.6272 -3.2652 -3.2596 -3.1409 -3.1360 -0.5644 -0.5485 -0.4609 -0.4497 0.8077 0.8232 0.8998 0.9083 1.7100 1.7144 2.2949 2.3009 2.5683 2.5768 2.5807 2.5819 12.7243 12.7466 12.7849 12.7914 13.1070 13.1166 13.4152 13.4161 k = 0.2576 0.2390 0.7255 ( 2322 PWs) bands (ev): -17.4721 -17.4720 -16.4173 -16.4133 -15.1316 -15.1257 -15.0398 -15.0397 -5.8691 -5.8676 -5.6330 -5.6232 -3.2650 -3.2594 -3.1406 -3.1356 -0.5654 -0.5498 -0.4597 -0.4487 0.8031 0.8174 0.9043 0.9117 1.7102 1.7146 2.2943 2.3003 2.5670 2.5736 2.5834 2.5856 12.7241 12.7458 12.7857 12.7917 13.1065 13.1160 13.4167 13.4184 k = 0.2652 0.2460 0.7160 ( 2324 PWs) bands (ev): -17.4732 -17.4731 -16.4160 -16.4121 -15.1317 -15.1258 -15.0395 -15.0394 -5.8807 -5.8788 -5.6218 -5.6124 -3.2641 -3.2585 -3.1398 -3.1348 -0.5688 -0.5541 -0.4555 -0.4452 0.7899 0.8021 0.9155 0.9209 1.7109 1.7153 2.2925 2.2986 2.5637 2.5688 2.5894 2.5934 12.7233 12.7435 12.7880 12.7925 13.1049 13.1145 13.4215 13.4243 k = 0.2727 0.2530 0.7064 ( 2331 PWs) bands (ev): -17.4749 -17.4748 -16.4141 -16.4102 -15.1318 -15.1260 -15.0390 -15.0389 -5.8970 -5.8948 -5.6059 -5.5969 -3.2627 -3.2569 -3.1384 -3.1334 -0.5748 -0.5614 -0.4483 -0.4389 0.7707 0.7811 0.9295 0.9333 1.7121 1.7166 2.2898 2.2961 2.5593 2.5637 2.5979 2.6028 12.7218 12.7399 12.7918 12.7943 13.1026 13.1123 13.4294 13.4332 k = 0.2803 0.2601 0.6968 ( 2333 PWs) bands (ev): -17.4770 -17.4770 -16.4117 -16.4078 -15.1320 -15.1262 -15.0384 -15.0383 -5.9159 -5.9135 -5.5873 -5.5787 -3.2605 -3.2547 -3.1366 -3.1316 -0.5832 -0.5712 -0.4383 -0.4299 0.7474 0.7564 0.9437 0.9468 1.7139 1.7184 2.2866 2.2931 2.5545 2.5585 2.6081 2.6136 12.7194 12.7353 12.7966 12.7978 13.1000 13.1096 13.4399 13.4445 k = 0.2879 0.2671 0.6872 ( 2332 PWs) bands (ev): -17.4795 -17.4795 -16.4088 -16.4050 -15.1323 -15.1266 -15.0377 -15.0376 -5.9359 -5.9332 -5.5676 -5.5593 -3.2578 -3.2519 -3.1344 -3.1295 -0.5936 -0.5828 -0.4263 -0.4187 0.7212 0.7293 0.9571 0.9599 1.7163 1.7209 2.2832 2.2897 2.5494 2.5532 2.6193 2.6252 12.7162 12.7298 12.8014 12.8042 13.0972 13.1069 13.4524 13.4577 k = 0.2955 0.2741 0.6776 ( 2328 PWs) bands (ev): -17.4822 -17.4822 -16.4057 -16.4019 -15.1326 -15.1270 -15.0370 -15.0369 -5.9558 -5.9530 -5.5475 -5.5395 -3.2543 -3.2484 -3.1319 -3.1270 -0.6054 -0.5957 -0.4126 -0.4057 0.6930 0.7004 0.9690 0.9718 1.7194 1.7241 2.2798 2.2864 2.5442 2.5478 2.6310 2.6373 12.7119 12.7236 12.8074 12.8122 13.0947 13.1043 13.4665 13.4723 k = 0.3030 0.2812 0.6680 ( 2326 PWs) bands (ev): -17.4851 -17.4850 -16.4024 -16.3987 -15.1330 -15.1274 -15.0362 -15.0361 -5.9749 -5.9721 -5.5278 -5.5200 -3.2503 -3.2443 -3.1291 -3.1243 -0.6181 -0.6094 -0.3979 -0.3914 0.6633 0.6702 0.9788 0.9818 1.7232 1.7278 2.2767 2.2833 2.5388 2.5423 2.6430 2.6494 12.7069 12.7169 12.8149 12.8214 13.0925 13.1022 13.4817 13.4879 k = 0.3106 0.2882 0.6584 ( 2326 PWs) bands (ev): -17.4879 -17.4879 -16.3991 -16.3954 -15.1334 -15.1279 -15.0356 -15.0354 -5.9928 -5.9899 -5.5087 -5.5012 -3.2458 -3.2396 -3.1262 -3.1214 -0.6312 -0.6233 -0.3824 -0.3763 0.6326 0.6390 0.9864 0.9897 1.7276 1.7322 2.2740 2.2805 2.5333 2.5369 2.6549 2.6614 12.7011 12.7099 12.8237 12.8316 13.0908 13.1005 13.4976 13.5042 k = 0.3182 0.2952 0.6488 ( 2325 PWs) bands (ev): -17.4907 -17.4907 -16.3958 -16.3922 -15.1339 -15.1285 -15.0350 -15.0347 -6.0090 -6.0061 -5.4906 -5.4833 -3.2408 -3.2345 -3.1230 -3.1183 -0.6446 -0.6373 -0.3664 -0.3607 0.6013 0.6073 0.9916 0.9951 1.7326 1.7371 2.2719 2.2783 2.5278 2.5315 2.6663 2.6730 12.6948 12.7026 12.8335 12.8425 13.0897 13.0995 13.5142 13.5211 k = 0.3258 0.3022 0.6393 ( 2328 PWs) bands (ev): -17.4934 -17.4934 -16.3927 -16.3891 -15.1343 -15.1290 -15.0346 -15.0342 -6.0233 -6.0204 -5.4737 -5.4665 -3.2354 -3.2290 -3.1198 -3.1152 -0.6577 -0.6510 -0.3504 -0.3451 0.5699 0.5756 0.9941 0.9979 1.7382 1.7425 2.2704 2.2767 2.5223 2.5262 2.6770 2.6838 12.6883 12.6953 12.8440 12.8539 13.0890 13.0989 13.5311 13.5382 k = 0.3333 0.3093 0.6297 ( 2325 PWs) bands (ev): -17.4959 -17.4958 -16.3898 -16.3862 -15.1348 -15.1296 -15.0345 -15.0338 -6.0353 -6.0325 -5.4580 -5.4510 -3.2297 -3.2231 -3.1166 -3.1120 -0.6705 -0.6641 -0.3347 -0.3297 0.5388 0.5441 0.9940 0.9981 1.7441 1.7483 2.2696 2.2758 2.5169 2.5210 2.6869 2.6937 12.6816 12.6880 12.8551 12.8655 13.0888 13.0988 13.5484 13.5557 k = 0.3409 0.3163 0.6201 ( 2325 PWs) bands (ev): -17.4980 -17.4980 -16.3871 -16.3836 -15.1352 -15.1302 -15.0345 -15.0337 -6.0450 -6.0422 -5.4438 -5.4369 -3.2237 -3.2169 -3.1134 -3.1088 -0.6825 -0.6766 -0.3197 -0.3150 0.5085 0.5135 0.9912 0.9955 1.7505 1.7544 2.2694 2.2754 2.5116 2.5160 2.6956 2.7026 12.6749 12.6808 12.8663 12.8771 13.0889 13.0990 13.5660 13.5734 k = 0.3485 0.3233 0.6105 ( 2324 PWs) bands (ev): -17.4999 -17.4999 -16.3847 -16.3813 -15.1357 -15.1307 -15.0348 -15.0338 -6.0521 -6.0494 -5.4310 -5.4243 -3.2176 -3.2106 -3.1103 -3.1057 -0.6937 -0.6881 -0.3057 -0.3014 0.4794 0.4841 0.9858 0.9904 1.7570 1.7607 2.2699 2.2757 2.5065 2.5111 2.7032 2.7102 12.6684 12.6739 12.8774 12.8883 13.0891 13.0994 13.5838 13.5914 k = 0.3561 0.3304 0.6009 ( 2326 PWs) bands (ev): -17.5014 -17.5014 -16.3827 -16.3794 -15.1361 -15.1313 -15.0354 -15.0342 -6.0565 -6.0539 -5.4198 -5.4133 -3.2114 -3.2043 -3.1074 -3.1028 -0.7039 -0.6984 -0.2932 -0.2894 0.4522 0.4566 0.9778 0.9827 1.7636 1.7671 2.2709 2.2765 2.5015 2.5065 2.7094 2.7165 12.6621 12.6673 12.8880 12.8987 13.0894 13.0997 13.6020 13.6097 k = 0.3636 0.3374 0.5913 ( 2324 PWs) bands (ev): -17.5025 -17.5025 -16.3811 -16.3778 -15.1365 -15.1318 -15.0363 -15.0349 -6.0582 -6.0557 -5.4102 -5.4038 -3.2053 -3.1979 -3.1047 -3.1001 -0.7128 -0.7075 -0.2827 -0.2795 0.4274 0.4315 0.9675 0.9727 1.7702 1.7734 2.2723 2.2777 2.4968 2.5022 2.7142 2.7214 12.6561 12.6610 12.8978 12.9082 13.0897 13.0999 13.6205 13.6282 k = 0.3712 0.3444 0.5817 ( 2324 PWs) bands (ev): -17.5032 -17.5031 -16.3799 -16.3767 -15.1369 -15.1323 -15.0376 -15.0359 -6.0570 -6.0545 -5.4023 -5.3960 -3.1993 -3.1917 -3.1024 -3.0976 -0.7204 -0.7152 -0.2748 -0.2722 0.4056 0.4094 0.9551 0.9604 1.7765 1.7796 2.2739 2.2792 2.4924 2.4982 2.7175 2.7249 12.6503 12.6551 12.9065 12.9162 13.0901 13.1000 13.6393 13.6470 k = 0.3788 0.3514 0.5721 ( 2324 PWs) bands (ev): -17.5034 -17.5034 -16.3792 -16.3759 -15.1372 -15.1327 -15.0392 -15.0372 -6.0529 -6.0505 -5.3960 -5.3899 -3.1936 -3.1856 -3.1003 -3.0954 -0.7265 -0.7214 -0.2699 -0.2679 0.3874 0.3910 0.9406 0.9462 1.7824 1.7854 2.2757 2.2808 2.4884 2.4945 2.7195 2.7270 12.6449 12.6496 12.9136 12.9224 13.0906 13.1001 13.6584 13.6661 k = 0.3864 0.3585 0.5625 ( 2320 PWs) bands (ev): -17.5033 -17.5032 -16.3788 -16.3756 -15.1375 -15.1331 -15.0411 -15.0389 -6.0458 -6.0435 -5.3914 -5.3854 -3.1881 -3.1799 -3.0987 -3.0936 -0.7310 -0.7259 -0.2685 -0.2670 0.3732 0.3768 0.9243 0.9301 1.7877 1.7907 2.2773 2.2824 2.4847 2.4912 2.7200 2.7277 12.6397 12.6443 12.9187 12.9262 13.0916 13.1005 13.6775 13.6852 k = 0.3939 0.3655 0.5530 ( 2318 PWs) bands (ev): -17.5027 -17.5027 -16.3789 -16.3758 -15.1377 -15.1335 -15.0433 -15.0409 -6.0358 -6.0336 -5.3886 -5.3826 -3.1830 -3.1745 -3.0975 -3.0922 -0.7338 -0.7287 -0.2710 -0.2696 0.3633 0.3671 0.9064 0.9124 1.7925 1.7954 2.2785 2.2835 2.4815 2.4884 2.7192 2.7271 12.6348 12.6394 12.9212 12.9273 13.0935 13.1016 13.6965 13.7042 k = 0.4015 0.3725 0.5434 ( 2314 PWs) bands (ev): -17.5017 -17.5017 -16.3794 -16.3763 -15.1379 -15.1338 -15.0458 -15.0431 -6.0229 -6.0207 -5.3874 -5.3815 -3.1784 -3.1696 -3.0968 -3.0912 -0.7349 -0.7296 -0.2776 -0.2758 0.3581 0.3622 0.8871 0.8932 1.7964 1.7995 2.2789 2.2841 2.4788 2.4861 2.7172 2.7254 12.6301 12.6348 12.9207 12.9255 13.0966 13.1040 13.7151 13.7227 k = 0.4091 0.3796 0.5338 ( 2314 PWs) bands (ev): -17.5004 -17.5003 -16.3803 -16.3772 -15.1380 -15.1341 -15.0487 -15.0457 -6.0071 -6.0049 -5.3880 -5.3821 -3.1743 -3.1652 -3.0966 -3.0907 -0.7342 -0.7288 -0.2880 -0.2856 0.3574 0.3619 0.8666 0.8728 1.7996 1.8027 2.2782 2.2837 2.4768 2.4845 2.7142 2.7226 12.6255 12.6303 12.9166 12.9207 13.1012 13.1081 13.7328 13.7403 k = 0.4167 0.3866 0.5242 ( 2320 PWs) bands (ev): -17.4987 -17.4986 -16.3816 -16.3784 -15.1381 -15.1343 -15.0518 -15.0485 -5.9885 -5.9862 -5.3902 -5.3844 -3.1708 -3.1614 -3.0969 -3.0907 -0.7317 -0.7261 -0.3018 -0.2986 0.3610 0.3659 0.8451 0.8514 1.8018 1.8051 2.2760 2.2818 2.4756 2.4837 2.7104 2.7190 12.6211 12.6259 12.9088 12.9131 13.1074 13.1141 13.7493 13.7567 k = 0.4242 0.3936 0.5146 ( 2318 PWs) bands (ev): -17.4967 -17.4966 -16.3831 -16.3799 -15.1381 -15.1346 -15.0550 -15.0516 -5.9671 -5.9649 -5.3940 -5.3882 -3.1680 -3.1583 -3.0977 -3.0912 -0.7274 -0.7215 -0.3184 -0.3144 0.3685 0.3739 0.8227 0.8291 1.8030 1.8065 2.2719 2.2781 2.4753 2.4838 2.7059 2.7148 12.6166 12.6216 12.8979 12.9030 13.1152 13.1220 13.7641 13.7715 k = 0.4318 0.4006 0.5050 ( 2316 PWs) bands (ev): -17.4945 -17.4944 -16.3850 -16.3817 -15.1381 -15.1348 -15.0585 -15.0548 -5.9432 -5.9409 -5.3995 -5.3936 -3.1660 -3.1559 -3.0991 -3.0922 -0.7214 -0.7152 -0.3371 -0.3324 0.3795 0.3852 0.7997 0.8061 1.8032 1.8070 2.2655 2.2721 2.4762 2.4849 2.7012 2.7102 12.6121 12.6172 12.8846 12.8907 13.1245 13.1316 13.7769 13.7842 k = 0.4394 0.4077 0.4954 ( 2319 PWs) bands (ev): -17.4921 -17.4920 -16.3869 -16.3837 -15.1381 -15.1350 -15.0621 -15.0582 -5.9168 -5.9145 -5.4064 -5.4004 -3.1646 -3.1544 -3.1009 -3.0937 -0.7138 -0.7072 -0.3573 -0.3519 0.3934 0.3995 0.7761 0.7825 1.8024 1.8063 2.2565 2.2635 2.4782 2.4872 2.6962 2.7055 12.6075 12.6127 12.8696 12.8766 13.1352 13.1425 13.7873 13.7944 k = 0.4470 0.4147 0.4858 ( 2320 PWs) bands (ev): -17.4896 -17.4896 -16.3890 -16.3857 -15.1381 -15.1352 -15.0657 -15.0616 -5.8882 -5.8860 -5.4146 -5.4085 -3.1641 -3.1537 -3.1032 -3.0958 -0.7048 -0.6976 -0.3783 -0.3721 0.4096 0.4160 0.7523 0.7587 1.8005 1.8046 2.2446 2.2519 2.4815 2.4906 2.6915 2.7009 12.6027 12.6080 12.8535 12.8613 13.1468 13.1544 13.7949 13.8021 k = 0.4545 0.4217 0.4763 ( 2318 PWs) bands (ev): -17.4872 -17.4871 -16.3911 -16.3877 -15.1380 -15.1355 -15.0693 -15.0650 -5.8578 -5.8556 -5.4239 -5.4177 -3.1645 -3.1539 -3.1060 -3.0984 -0.6945 -0.6866 -0.3994 -0.3923 0.4276 0.4344 0.7283 0.7347 1.7975 1.8017 2.2297 2.2372 2.4860 2.4952 2.6870 2.6966 12.5977 12.6030 12.8370 12.8453 13.1593 13.1670 13.7997 13.8068 k = 0.4621 0.4288 0.4667 ( 2314 PWs) bands (ev): -17.4849 -17.4848 -16.3931 -16.3896 -15.1380 -15.1357 -15.0729 -15.0684 -5.8261 -5.8239 -5.4339 -5.4275 -3.1657 -3.1550 -3.1092 -3.1015 -0.6835 -0.6747 -0.4197 -0.4117 0.4470 0.4540 0.7045 0.7107 1.7933 1.7976 2.2118 2.2195 2.4916 2.5008 2.6831 2.6928 12.5924 12.5978 12.8204 12.8292 13.1722 13.1801 13.8015 13.8086 k = 0.4697 0.4358 0.4571 ( 2312 PWs) bands (ev): -17.4827 -17.4826 -16.3948 -16.3913 -15.1380 -15.1360 -15.0764 -15.0718 -5.7937 -5.7916 -5.4441 -5.4374 -3.1677 -3.1571 -3.1129 -3.1052 -0.6721 -0.6622 -0.4385 -0.4294 0.4671 0.4744 0.6810 0.6872 1.7878 1.7922 2.1911 2.1987 2.4983 2.5074 2.6797 2.6896 12.5868 12.5922 12.8043 12.8134 13.1854 13.1933 13.8003 13.8073 k = 0.4773 0.4428 0.4475 ( 2310 PWs) bands (ev): -17.4810 -17.4809 -16.3962 -16.3926 -15.1380 -15.1364 -15.0796 -15.0749 -5.7617 -5.7597 -5.4534 -5.4464 -3.1707 -3.1601 -3.1171 -3.1093 -0.6612 -0.6501 -0.4546 -0.4442 0.4872 0.4949 0.6584 0.6645 1.7809 1.7854 2.1677 2.1753 2.5058 2.5147 2.6770 2.6870 12.5809 12.5864 12.7889 12.7983 13.1987 13.2065 13.7961 13.8032 k = 0.4848 0.4498 0.4379 ( 2308 PWs) bands (ev): -17.4796 -17.4795 -16.3971 -16.3935 -15.1380 -15.1369 -15.0827 -15.0779 -5.7319 -5.7301 -5.4603 -5.4529 -3.1745 -3.1640 -3.1217 -3.1141 -0.6519 -0.6394 -0.4667 -0.4550 0.5061 0.5143 0.6378 0.6437 1.7725 1.7770 2.1421 2.1496 2.5140 2.5228 2.6751 2.6851 12.5749 12.5802 12.7744 12.7840 13.2116 13.2194 13.7891 13.7962 k = 0.4924 0.4569 0.4283 ( 2310 PWs) bands (ev): -17.4789 -17.4788 -16.3973 -16.3936 -15.1381 -15.1375 -15.0855 -15.0806 -5.7070 -5.7053 -5.4622 -5.4544 -3.1791 -3.1689 -3.1268 -3.1193 -0.6451 -0.6316 -0.4730 -0.4602 0.5214 0.5302 0.6214 0.6271 1.7623 1.7669 2.1147 2.1220 2.5227 2.5314 2.6738 2.6839 12.5686 12.5740 12.7611 12.7709 13.2241 13.2318 13.7795 13.7866 k = 0.5000 0.4639 0.4187 ( 2310 PWs) bands (ev): -17.4789 -17.4788 -16.3967 -16.3930 -15.1384 -15.1380 -15.0879 -15.0829 -5.6904 -5.6888 -5.4558 -5.4478 -3.1845 -3.1745 -3.1324 -3.1252 -0.6418 -0.6278 -0.4722 -0.4591 0.5280 0.5373 0.6141 0.6198 1.7502 1.7548 2.0859 2.0931 2.5318 2.5403 2.6732 2.6834 12.5624 12.5677 12.7491 12.7589 13.2358 13.2433 13.7674 13.7745 k = 0.5000 0.4639 0.4187 ( 2310 PWs) bands (ev): -17.4789 -17.4788 -16.3967 -16.3930 -15.1384 -15.1380 -15.0879 -15.0829 -5.6904 -5.6888 -5.4558 -5.4478 -3.1845 -3.1745 -3.1324 -3.1252 -0.6418 -0.6278 -0.4722 -0.4591 0.5280 0.5373 0.6141 0.6198 1.7502 1.7548 2.0859 2.0931 2.5318 2.5403 2.6732 2.6834 12.5624 12.5677 12.7491 12.7589 13.2358 13.2433 13.7674 13.7745 k = 0.5000 0.4639 0.4048 ( 2302 PWs) bands (ev): -17.4795 -17.4794 -16.3952 -16.3915 -15.1391 -15.1386 -15.0911 -15.0862 -5.6738 -5.6722 -5.4391 -5.4309 -3.1929 -3.1832 -3.1409 -3.1340 -0.6390 -0.6251 -0.4651 -0.4520 0.5288 0.5380 0.6130 0.6186 1.7297 1.7344 2.0428 2.0497 2.5455 2.5538 2.6733 2.6835 12.5539 12.5591 12.7327 12.7426 13.2517 13.2591 13.7475 13.7547 k = 0.5000 0.4639 0.3908 ( 2302 PWs) bands (ev): -17.4802 -17.4800 -16.3937 -16.3899 -15.1397 -15.1392 -15.0944 -15.0893 -5.6575 -5.6558 -5.4224 -5.4140 -3.2008 -3.1915 -3.1491 -3.1426 -0.6350 -0.6211 -0.4570 -0.4440 0.5293 0.5385 0.6116 0.6171 1.7069 1.7118 1.9982 2.0050 2.5595 2.5676 2.6745 2.6846 12.5464 12.5516 12.7172 12.7272 13.2666 13.2738 13.7265 13.7338 k = 0.5000 0.4639 0.3769 ( 2302 PWs) bands (ev): -17.4808 -17.4807 -16.3922 -16.3884 -15.1403 -15.1398 -15.0975 -15.0925 -5.6415 -5.6398 -5.4060 -5.3975 -3.2084 -3.1994 -3.1570 -3.1509 -0.6299 -0.6159 -0.4479 -0.4349 0.5297 0.5388 0.6099 0.6153 1.6818 1.6868 1.9525 1.9592 2.5736 2.5816 2.6767 2.6868 12.5401 12.5452 12.7026 12.7126 13.2804 13.2874 13.7045 13.7119 k = 0.5000 0.4639 0.3629 ( 2302 PWs) bands (ev): -17.4815 -17.4814 -16.3908 -16.3870 -15.1408 -15.1403 -15.1006 -15.0956 -5.6259 -5.6241 -5.3898 -5.3811 -3.2155 -3.2069 -3.1646 -3.1587 -0.6235 -0.6096 -0.4376 -0.4246 0.5299 0.5389 0.6080 0.6133 1.6544 1.6595 1.9057 1.9123 2.5880 2.5957 2.6799 2.6899 12.5349 12.5400 12.6890 12.6991 13.2928 13.2997 13.6817 13.6890 k = 0.5000 0.4639 0.3489 ( 2302 PWs) bands (ev): -17.4822 -17.4821 -16.3894 -16.3855 -15.1413 -15.1407 -15.1037 -15.0987 -5.6107 -5.6090 -5.3738 -5.3652 -3.2220 -3.2138 -3.1717 -3.1663 -0.6158 -0.6019 -0.4262 -0.4132 0.5299 0.5389 0.6058 0.6110 1.6248 1.6300 1.8580 1.8645 2.6023 2.6098 2.6841 2.6940 12.5310 12.5360 12.6766 12.6867 13.3037 13.3103 13.6580 13.6653 k = 0.5000 0.4639 0.3350 ( 2298 PWs) bands (ev): -17.4830 -17.4828 -16.3880 -16.3842 -15.1417 -15.1411 -15.1066 -15.1016 -5.5961 -5.5943 -5.3583 -5.3496 -3.2279 -3.2201 -3.1785 -3.1733 -0.6068 -0.5930 -0.4135 -0.4006 0.5298 0.5387 0.6034 0.6084 1.5931 1.5983 1.8096 1.8160 2.6167 2.6240 2.6892 2.6988 12.5283 12.5333 12.6655 12.6755 13.3128 13.3193 13.6335 13.6409 k = 0.5000 0.4639 0.3210 ( 2298 PWs) bands (ev): -17.4837 -17.4836 -16.3867 -16.3828 -15.1420 -15.1414 -15.1094 -15.1045 -5.5821 -5.5803 -5.3432 -5.3345 -3.2332 -3.2258 -3.1849 -3.1800 -0.5966 -0.5828 -0.3996 -0.3868 0.5294 0.5383 0.6009 0.6057 1.5593 1.5646 1.7605 1.7668 2.6309 2.6380 2.6950 2.7045 12.5269 12.5320 12.6556 12.6656 13.3201 13.3265 13.6085 13.6158 k = 0.5000 0.4639 0.3071 ( 2298 PWs) bands (ev): -17.4845 -17.4844 -16.3854 -16.3816 -15.1423 -15.1416 -15.1122 -15.1074 -5.5687 -5.5669 -5.3287 -5.3199 -3.2378 -3.2308 -3.1908 -3.1862 -0.5851 -0.5714 -0.3844 -0.3716 0.5289 0.5376 0.5981 0.6027 1.5235 1.5289 1.7110 1.7172 2.6451 2.6519 2.7015 2.7107 12.5269 12.5319 12.6471 12.6571 13.3254 13.3317 13.5829 13.5902 k = 0.5000 0.4639 0.2931 ( 2300 PWs) bands (ev): -17.4852 -17.4851 -16.3841 -16.3804 -15.1425 -15.1418 -15.1148 -15.1101 -5.5560 -5.5542 -5.3146 -5.3060 -3.2417 -3.2351 -3.1963 -3.1919 -0.5723 -0.5587 -0.3679 -0.3552 0.5281 0.5368 0.5952 0.5996 1.4859 1.4914 1.6612 1.6674 2.6590 2.6657 2.7086 2.7176 12.5281 12.5333 12.6399 12.6499 13.3286 13.3348 13.5569 13.5642 k = 0.5000 0.4639 0.2792 ( 2302 PWs) bands (ev): -17.4860 -17.4859 -16.3829 -16.3793 -15.1427 -15.1420 -15.1172 -15.1127 -5.5441 -5.5423 -5.3012 -5.2926 -3.2450 -3.2388 -3.2013 -3.1972 -0.5583 -0.5447 -0.3500 -0.3373 0.5272 0.5358 0.5921 0.5962 1.4465 1.4521 1.6113 1.6175 2.6727 2.6791 2.7162 2.7248 12.5307 12.5359 12.6343 12.6441 13.3298 13.3359 13.5306 13.5378 k = 0.5000 0.4639 0.2652 ( 2302 PWs) bands (ev): -17.4868 -17.4867 -16.3818 -16.3782 -15.1428 -15.1421 -15.1196 -15.1152 -5.5329 -5.5311 -5.2884 -5.2800 -3.2475 -3.2417 -3.2058 -3.2020 -0.5431 -0.5296 -0.3306 -0.3181 0.5260 0.5347 0.5889 0.5928 1.4055 1.4111 1.5617 1.5677 2.6862 2.6923 2.7242 2.7324 12.5347 12.5399 12.6301 12.6398 13.3287 13.3348 13.5042 13.5111 k = 0.5000 0.4639 0.2512 ( 2302 PWs) bands (ev): -17.4876 -17.4875 -16.3807 -16.3772 -15.1429 -15.1421 -15.1218 -15.1176 -5.5224 -5.5207 -5.2762 -5.2680 -3.2494 -3.2440 -3.2098 -3.2063 -0.5268 -0.5134 -0.3099 -0.2975 0.5247 0.5333 0.5855 0.5891 1.3630 1.3685 1.5124 1.5183 2.6992 2.7051 2.7323 2.7403 12.5399 12.5452 12.6273 12.6369 13.3256 13.3317 13.4777 13.4844 k = 0.5000 0.4639 0.2373 ( 2300 PWs) bands (ev): -17.4883 -17.4882 -16.3796 -16.3763 -15.1430 -15.1421 -15.1239 -15.1199 -5.5128 -5.5111 -5.2647 -5.2567 -3.2507 -3.2457 -3.2134 -3.2102 -0.5094 -0.4961 -0.2878 -0.2754 0.5231 0.5317 0.5820 0.5854 1.3190 1.3245 1.4639 1.4695 2.7119 2.7175 2.7407 2.7482 12.5463 12.5517 12.6261 12.6354 13.3203 13.3265 13.4512 13.4577 k = 0.5000 0.4639 0.2233 ( 2304 PWs) bands (ev): -17.4891 -17.4890 -16.3786 -16.3754 -15.1430 -15.1421 -15.1258 -15.1220 -5.5039 -5.5022 -5.2539 -5.2462 -3.2513 -3.2468 -3.2165 -3.2136 -0.4909 -0.4778 -0.2643 -0.2520 0.5213 0.5300 0.5783 0.5815 1.2737 1.2791 1.4162 1.4216 2.7242 2.7295 2.7491 2.7562 12.5539 12.5594 12.6262 12.6353 13.3129 13.3193 13.4251 13.4312 k = 0.5000 0.4639 0.2094 ( 2304 PWs) bands (ev): -17.4898 -17.4897 -16.3777 -16.3746 -15.1430 -15.1421 -15.1275 -15.1241 -5.4958 -5.4942 -5.2438 -5.2364 -3.2515 -3.2474 -3.2191 -3.2166 -0.4716 -0.4587 -0.2394 -0.2272 0.5193 0.5281 0.5745 0.5775 1.2273 1.2326 1.3697 1.3747 2.7360 2.7410 2.7574 2.7641 12.5626 12.5683 12.6278 12.6366 13.3035 13.3102 13.3993 13.4050 k = 0.5000 0.4639 0.1954 ( 2304 PWs) bands (ev): -17.4905 -17.4905 -16.3768 -16.3739 -15.1430 -15.1420 -15.1292 -15.1259 -5.4884 -5.4869 -5.2345 -5.2273 -3.2511 -3.2475 -3.2213 -3.2191 -0.4515 -0.4388 -0.2131 -0.2010 0.5171 0.5260 0.5704 0.5734 1.1800 1.1850 1.3246 1.3292 2.7473 2.7519 2.7657 2.7719 12.5724 12.5781 12.6307 12.6392 13.2921 13.2992 13.3743 13.3794 k = 0.5000 0.4639 0.1814 ( 2300 PWs) bands (ev): -17.4912 -17.4912 -16.3760 -16.3732 -15.1430 -15.1419 -15.1306 -15.1277 -5.4817 -5.4803 -5.2258 -5.2190 -3.2504 -3.2472 -3.2231 -3.2213 -0.4307 -0.4183 -0.1855 -0.1735 0.5146 0.5237 0.5662 0.5692 1.1320 1.1368 1.2810 1.2853 2.7580 2.7623 2.7737 2.7795 12.5830 12.5889 12.6349 12.6430 13.2788 13.2864 13.3501 13.3546 k = 0.5000 0.4639 0.1675 ( 2304 PWs) bands (ev): -17.4919 -17.4918 -16.3753 -16.3727 -15.1430 -15.1418 -15.1319 -15.1293 -5.4758 -5.4744 -5.2178 -5.2115 -3.2493 -3.2465 -3.2245 -3.2231 -0.4095 -0.3974 -0.1566 -0.1448 0.5120 0.5212 0.5616 0.5650 1.0836 1.0882 1.2392 1.2431 2.7681 2.7720 2.7815 2.7867 12.5945 12.6005 12.6402 12.6479 13.2637 13.2719 13.3270 13.3307 k = 0.5000 0.4639 0.1535 ( 2296 PWs) bands (ev): -17.4925 -17.4925 -16.3746 -16.3721 -15.1430 -15.1417 -15.1331 -15.1308 -5.4705 -5.4692 -5.2106 -5.2046 -3.2480 -3.2456 -3.2256 -3.2246 -0.3881 -0.3763 -0.1265 -0.1149 0.5091 0.5184 0.5568 0.5606 1.0352 1.0395 1.1994 1.2029 2.7775 2.7811 2.7889 2.7937 12.6065 12.6127 12.6467 12.6539 13.2471 13.2558 13.3052 13.3082 k = 0.5000 0.4639 0.1396 ( 2300 PWs) bands (ev): -17.4931 -17.4930 -16.3739 -16.3717 -15.1430 -15.1416 -15.1340 -15.1322 -5.4659 -5.4647 -5.2040 -5.1985 -3.2466 -3.2446 -3.2263 -3.2258 -0.3666 -0.3553 -0.0954 -0.0839 0.5060 0.5154 0.5515 0.5560 0.9872 0.9912 1.1618 1.1649 2.7863 2.7895 2.7959 2.8002 12.6190 12.6253 12.6540 12.6606 13.2293 13.2383 13.2847 13.2871 k = 0.5000 0.4639 0.1256 ( 2300 PWs) bands (ev): -17.4936 -17.4936 -16.3733 -16.3713 -15.1430 -15.1416 -15.1349 -15.1333 -5.4618 -5.4607 -5.1981 -5.1930 -3.2451 -3.2433 -3.2267 -3.2266 -0.3453 -0.3346 -0.0633 -0.0521 0.5027 0.5122 0.5459 0.5511 0.9399 0.9438 1.1267 1.1295 2.7943 2.7971 2.8025 2.8062 12.6317 12.6382 12.6622 12.6681 13.2108 13.2199 13.2655 13.2675 k = 0.5000 0.4639 0.1117 ( 2302 PWs) bands (ev): -17.4941 -17.4941 -16.3728 -16.3709 -15.1430 -15.1415 -15.1355 -15.1344 -5.4583 -5.4573 -5.1928 -5.1883 -3.2437 -3.2421 -3.2273 -3.2268 -0.3246 -0.3146 -0.0306 -0.0197 0.4993 0.5087 0.5397 0.5459 0.8941 0.8978 1.0943 1.0968 2.8016 2.8040 2.8086 2.8118 12.6444 12.6511 12.6709 12.6761 13.1921 13.2010 13.2476 13.2494 k = 0.5000 0.4639 0.0977 ( 2306 PWs) bands (ev): -17.4946 -17.4946 -16.3723 -16.3707 -15.1431 -15.1416 -15.1361 -15.1352 -5.4553 -5.4544 -5.1882 -5.1842 -3.2424 -3.2408 -3.2277 -3.2268 -0.3048 -0.2955 0.0024 0.0130 0.4958 0.5049 0.5329 0.5400 0.8503 0.8539 1.0648 1.0672 2.8080 2.8101 2.8141 2.8168 12.6568 12.6636 12.6801 12.6844 13.1739 13.1824 13.2310 13.2326 k = 0.5000 0.4639 0.0837 ( 2306 PWs) bands (ev): -17.4950 -17.4950 -16.3719 -16.3705 -15.1431 -15.1417 -15.1365 -15.1359 -5.4527 -5.4520 -5.1842 -5.1807 -3.2412 -3.2396 -3.2278 -3.2266 -0.2862 -0.2779 0.0354 0.0455 0.4923 0.5009 0.5254 0.5333 0.8094 0.8129 1.0387 1.0408 2.8136 2.8154 2.8190 2.8212 12.6687 12.6755 12.6893 12.6927 13.1567 13.1646 13.2158 13.2172 k = 0.5000 0.4639 0.0698 ( 2310 PWs) bands (ev): -17.4953 -17.4953 -16.3715 -16.3703 -15.1432 -15.1418 -15.1368 -15.1365 -5.4506 -5.4500 -5.1808 -5.1779 -3.2402 -3.2387 -3.2276 -3.2263 -0.2693 -0.2621 0.0676 0.0771 0.4890 0.4968 0.5170 0.5255 0.7725 0.7759 1.0161 1.0180 2.8183 2.8200 2.8233 2.8250 12.6796 12.6861 12.6983 12.7008 13.1411 13.1481 13.2022 13.2034 k = 0.5000 0.4639 0.0558 ( 2322 PWs) bands (ev): -17.4956 -17.4956 -16.3712 -16.3702 -15.1432 -15.1420 -15.1370 -15.1369 -5.4489 -5.4484 -5.1780 -5.1757 -3.2394 -3.2380 -3.2273 -3.2260 -0.2546 -0.2485 0.0982 0.1068 0.4861 0.4927 0.5077 0.5164 0.7407 0.7440 0.9973 0.9989 2.8222 2.8236 2.8268 2.8282 12.6893 12.6952 12.7066 12.7084 13.1276 13.1335 13.1904 13.1914 k = 0.5000 0.4639 0.0419 ( 2326 PWs) bands (ev): -17.4958 -17.4958 -16.3709 -16.3702 -15.1432 -15.1423 -15.1372 -15.1371 -5.4477 -5.4473 -5.1758 -5.1740 -3.2387 -3.2375 -3.2269 -3.2258 -0.2423 -0.2377 0.1258 0.1332 0.4836 0.4888 0.4982 0.5063 0.7152 0.7181 0.9826 0.9839 2.8253 2.8264 2.8297 2.8307 12.6975 12.7023 12.7138 12.7150 13.1166 13.1213 13.1808 13.1816 k = 0.5000 0.4639 0.0279 ( 2330 PWs) bands (ev): -17.4960 -17.4960 -16.3706 -16.3702 -15.1432 -15.1425 -15.1373 -15.1373 -5.4467 -5.4465 -5.1741 -5.1729 -3.2382 -3.2373 -3.2264 -3.2256 -0.2330 -0.2298 0.1487 0.1542 0.4814 0.4851 0.4900 0.4963 0.6969 0.6992 0.9720 0.9729 2.8275 2.8283 2.8318 2.8325 12.7039 12.7073 12.7195 12.7202 13.1087 13.1120 13.1737 13.1742 k = 0.5000 0.4639 0.0140 ( 2348 PWs) bands (ev): -17.4961 -17.4961 -16.3705 -16.3702 -15.1431 -15.1427 -15.1374 -15.1374 -5.4462 -5.4460 -5.1730 -5.1724 -3.2378 -3.2373 -3.2261 -3.2256 -0.2270 -0.2254 0.1646 0.1676 0.4794 0.4816 0.4856 0.4889 0.6863 0.6875 0.9657 0.9662 2.8289 2.8293 2.8331 2.8335 12.7082 12.7099 12.7231 12.7235 13.1041 13.1058 13.1694 13.1696 k = 0.5000 0.4639 0.0000 ( 2350 PWs) bands (ev): -17.4961 -17.4961 -16.3703 -16.3703 -15.1429 -15.1429 -15.1374 -15.1374 -5.4459 -5.4459 -5.1724 -5.1724 -3.2375 -3.2375 -3.2258 -3.2258 -0.2244 -0.2244 0.1713 0.1713 0.4790 0.4790 0.4855 0.4855 0.6831 0.6831 0.9638 0.9638 2.8295 2.8295 2.8337 2.8337 12.7102 12.7102 12.7245 12.7245 13.1031 13.1031 13.1680 13.1680 k = 0.0000 0.0000 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4183 -16.4183 -15.1240 -15.1240 -15.0364 -15.0364 -5.9397 -5.9397 -5.6978 -5.6978 -3.0455 -3.0455 -2.9754 -2.9754 -0.5440 -0.5440 -0.5132 -0.5132 0.5106 0.5106 0.5943 0.5943 1.8462 1.8462 2.3069 2.3069 2.7050 2.7050 2.7280 2.7280 12.7548 12.7548 12.9976 12.9976 13.0482 13.0482 13.9158 13.9158 k = 0.0104 0.0097 0.7351 ( 2336 PWs) bands (ev): -17.4729 -17.4729 -16.4185 -16.4182 -15.1243 -15.1239 -15.0364 -15.0364 -5.9394 -5.9393 -5.6979 -5.6973 -3.0466 -3.0462 -2.9763 -2.9760 -0.5441 -0.5430 -0.5140 -0.5128 0.5112 0.5125 0.5950 0.5957 1.8457 1.8459 2.3068 2.3070 2.7043 2.7047 2.7272 2.7276 12.7547 12.7550 12.9910 12.9981 13.0472 13.0534 13.9119 13.9125 k = 0.0208 0.0193 0.7351 ( 2332 PWs) bands (ev): -17.4729 -17.4728 -16.4185 -16.4180 -15.1245 -15.1237 -15.0364 -15.0364 -5.9385 -5.9383 -5.6974 -5.6962 -3.0497 -3.0489 -2.9785 -2.9780 -0.5434 -0.5412 -0.5152 -0.5129 0.5145 0.5170 0.5979 0.5993 1.8445 1.8449 2.3066 2.3070 2.7026 2.7033 2.7252 2.7261 12.7547 12.7553 12.9806 12.9922 13.0509 13.0607 13.9011 13.9022 k = 0.0312 0.0290 0.7351 ( 2336 PWs) bands (ev): -17.4728 -17.4728 -16.4186 -16.4179 -15.1248 -15.1236 -15.0365 -15.0365 -5.9370 -5.9368 -5.6964 -5.6945 -3.0546 -3.0535 -2.9821 -2.9813 -0.5419 -0.5386 -0.5166 -0.5133 0.5203 0.5239 0.6030 0.6050 1.8424 1.8431 2.3064 2.3069 2.6998 2.7008 2.7221 2.7235 12.7547 12.7557 12.9679 12.9819 13.0571 13.0684 13.8841 13.8857 k = 0.0417 0.0387 0.7351 ( 2336 PWs) bands (ev): -17.4728 -17.4728 -16.4187 -16.4177 -15.1251 -15.1236 -15.0366 -15.0366 -5.9350 -5.9346 -5.6948 -5.6924 -3.0613 -3.0598 -2.9870 -2.9860 -0.5398 -0.5353 -0.5182 -0.5141 0.5286 0.5333 0.6101 0.6128 1.8397 1.8405 2.3061 2.3068 2.6960 2.6974 2.7179 2.7197 12.7549 12.7562 12.9539 12.9693 13.0640 13.0759 13.8621 13.8640 k = 0.0521 0.0483 0.7351 ( 2336 PWs) bands (ev): -17.4728 -17.4727 -16.4187 -16.4174 -15.1255 -15.1236 -15.0367 -15.0367 -5.9324 -5.9320 -5.6928 -5.6898 -3.0697 -3.0677 -2.9931 -2.9918 -0.5374 -0.5314 -0.5198 -0.5150 0.5390 0.5449 0.6193 0.6226 1.8362 1.8372 2.3057 2.3067 2.6913 2.6931 2.7126 2.7149 12.7552 12.7568 12.9390 12.9553 13.0708 13.0827 13.8361 13.8383 k = 0.0625 0.0580 0.7351 ( 2336 PWs) bands (ev): -17.4727 -17.4727 -16.4187 -16.4172 -15.1258 -15.1236 -15.0369 -15.0369 -5.9293 -5.9288 -5.6904 -5.6868 -3.0795 -3.0771 -3.0004 -2.9988 -0.5353 -0.5275 -0.5207 -0.5158 0.5516 0.5585 0.6304 0.6343 1.8319 1.8332 2.3053 2.3065 2.6857 2.6879 2.7063 2.7091 12.7556 12.7576 12.9233 12.9404 13.0770 13.0889 13.8074 13.8097 k = 0.0729 0.0677 0.7351 ( 2326 PWs) bands (ev): -17.4726 -17.4726 -16.4187 -16.4170 -15.1262 -15.1236 -15.0371 -15.0370 -5.9257 -5.9251 -5.6875 -5.6833 -3.0905 -3.0879 -3.0086 -3.0067 -0.5344 -0.5246 -0.5199 -0.5153 0.5660 0.5739 0.6433 0.6478 1.8269 1.8284 2.3048 2.3063 2.6794 2.6819 2.6991 2.7024 12.7562 12.7586 12.9073 12.9250 13.0827 13.0944 13.7768 13.7793 k = 0.0833 0.0773 0.7351 ( 2326 PWs) bands (ev): -17.4726 -17.4725 -16.4187 -16.4167 -15.1266 -15.1237 -15.0372 -15.0372 -5.9218 -5.9211 -5.6843 -5.6796 -3.1027 -3.0997 -3.0176 -3.0155 -0.5353 -0.5243 -0.5172 -0.5120 0.5820 0.5908 0.6579 0.6629 1.8212 1.8229 2.3043 2.3060 2.6724 2.6753 2.6911 2.6949 12.7570 12.7597 12.8911 12.9093 13.0876 13.0991 13.7451 13.7477 k = 0.0938 0.0870 0.7351 ( 2326 PWs) bands (ev): -17.4725 -17.4725 -16.4186 -16.4165 -15.1271 -15.1238 -15.0375 -15.0374 -5.9175 -5.9167 -5.6808 -5.6755 -3.1158 -3.1125 -3.0274 -3.0250 -0.5373 -0.5257 -0.5131 -0.5070 0.5993 0.6089 0.6741 0.6795 1.8147 1.8168 2.3037 2.3057 2.6648 2.6681 2.6824 2.6866 12.7580 12.7611 12.8748 12.8934 13.0918 13.1031 13.7130 13.7156 k = 0.1042 0.0966 0.7351 ( 2334 PWs) bands (ev): -17.4724 -17.4724 -16.4186 -16.4162 -15.1275 -15.1239 -15.0377 -15.0376 -5.9129 -5.9121 -5.6770 -5.6713 -3.1295 -3.1259 -3.0376 -3.0350 -0.5398 -0.5277 -0.5083 -0.5014 0.6177 0.6280 0.6915 0.6974 1.8077 1.8099 2.3031 2.3053 2.6568 2.6604 2.6731 2.6778 12.7593 12.7627 12.8586 12.8777 13.0953 13.1064 13.6811 13.6836 k = 0.1146 0.1063 0.7351 ( 2330 PWs) bands (ev): -17.4724 -17.4723 -16.4185 -16.4159 -15.1280 -15.1241 -15.0379 -15.0379 -5.9081 -5.9073 -5.6731 -5.6668 -3.1437 -3.1398 -3.0482 -3.0454 -0.5426 -0.5299 -0.5032 -0.4955 0.6367 0.6478 0.7101 0.7164 1.8000 1.8025 2.3024 2.3049 2.6484 2.6525 2.6634 2.6686 12.7607 12.7645 12.8427 12.8622 13.0982 13.1091 13.6497 13.6522 k = 0.1250 0.1160 0.7351 ( 2330 PWs) bands (ev): -17.4723 -17.4722 -16.4184 -16.4157 -15.1284 -15.1242 -15.0381 -15.0381 -5.9033 -5.9023 -5.6691 -5.6623 -3.1580 -3.1538 -3.0590 -3.0559 -0.5454 -0.5322 -0.4980 -0.4897 0.6561 0.6679 0.7294 0.7361 1.7918 1.7945 2.3017 2.3045 2.6399 2.6444 2.6534 2.6590 12.7624 12.7666 12.8274 12.8471 13.1006 13.1112 13.6193 13.6217 k = 0.1354 0.1256 0.7351 ( 2330 PWs) bands (ev): -17.4722 -17.4722 -16.4184 -16.4154 -15.1288 -15.1244 -15.0384 -15.0383 -5.8984 -5.8973 -5.6650 -5.6578 -3.1722 -3.1678 -3.0697 -3.0664 -0.5481 -0.5345 -0.4928 -0.4840 0.6756 0.6880 0.7494 0.7564 1.7831 1.7861 2.3010 2.3041 2.6313 2.6362 2.6432 2.6494 12.7642 12.7688 12.8127 12.8326 13.1025 13.1129 13.5901 13.5924 k = 0.1458 0.1353 0.7351 ( 2326 PWs) bands (ev): -17.4721 -17.4721 -16.4183 -16.4152 -15.1292 -15.1246 -15.0386 -15.0385 -5.8935 -5.8924 -5.6610 -5.6533 -3.1861 -3.1815 -3.0803 -3.0767 -0.5507 -0.5367 -0.4878 -0.4785 0.6949 0.7077 0.7695 0.7768 1.7742 1.7773 2.3002 2.3037 2.6228 2.6282 2.6332 2.6397 12.7662 12.7713 12.7988 12.8189 13.1039 13.1142 13.5624 13.5646 k = 0.1562 0.1450 0.7351 ( 2324 PWs) bands (ev): -17.4721 -17.4720 -16.4182 -16.4149 -15.1296 -15.1247 -15.0388 -15.0388 -5.8888 -5.8876 -5.6571 -5.6490 -3.1994 -3.1946 -3.0904 -3.0866 -0.5532 -0.5388 -0.4831 -0.4734 0.7135 0.7269 0.7896 0.7971 1.7650 1.7684 2.2994 2.3033 2.6144 2.6204 2.6234 2.6303 12.7680 12.7740 12.7862 12.8061 13.1050 13.1151 13.5365 13.5386 k = 0.1667 0.1546 0.7351 ( 2322 PWs) bands (ev): -17.4720 -17.4719 -16.4181 -16.4147 -15.1300 -15.1249 -15.0390 -15.0390 -5.8843 -5.8831 -5.6533 -5.6449 -3.2120 -3.2071 -3.1001 -3.0960 -0.5554 -0.5407 -0.4787 -0.4686 0.7312 0.7450 0.8091 0.8168 1.7558 1.7594 2.2987 2.3029 2.6064 2.6130 2.6142 2.6212 12.7680 12.7766 12.7767 12.7942 13.1058 13.1158 13.5126 13.5145 k = 0.1771 0.1643 0.7351 ( 2328 PWs) bands (ev): -17.4719 -17.4719 -16.4180 -16.4145 -15.1303 -15.1251 -15.0392 -15.0392 -5.8801 -5.8788 -5.6498 -5.6411 -3.2237 -3.2186 -3.1090 -3.1047 -0.5575 -0.5425 -0.4747 -0.4643 0.7477 0.7619 0.8278 0.8357 1.7468 1.7506 2.2979 2.3025 2.5988 2.6056 2.6061 2.6127 12.7608 12.7752 12.7794 12.7836 13.1063 13.1162 13.4908 13.4925 k = 0.1875 0.1740 0.7351 ( 2332 PWs) bands (ev): -17.4719 -17.4718 -16.4180 -16.4143 -15.1306 -15.1252 -15.0394 -15.0393 -5.8763 -5.8750 -5.6467 -5.6376 -3.2342 -3.2289 -3.1170 -3.1126 -0.5593 -0.5441 -0.4711 -0.4605 0.7627 0.7772 0.8451 0.8532 1.7383 1.7422 2.2972 2.3021 2.5916 2.5981 2.5999 2.6050 12.7518 12.7739 12.7770 12.7822 13.1067 13.1164 13.4715 13.4730 k = 0.1979 0.1836 0.7351 ( 2320 PWs) bands (ev): -17.4718 -17.4718 -16.4179 -16.4142 -15.1309 -15.1253 -15.0395 -15.0395 -5.8729 -5.8716 -5.6439 -5.6346 -3.2433 -3.2380 -3.1241 -3.1194 -0.5608 -0.5454 -0.4681 -0.4573 0.7759 0.7907 0.8607 0.8689 1.7304 1.7345 2.2966 2.3017 2.5850 2.5916 2.5944 2.5981 12.7436 12.7658 12.7791 12.7847 13.1069 13.1166 13.4547 13.4561 k = 0.2083 0.1933 0.7351 ( 2330 PWs) bands (ev): -17.4718 -17.4717 -16.4179 -16.4140 -15.1311 -15.1255 -15.0397 -15.0396 -5.8701 -5.8687 -5.6415 -5.6320 -3.2511 -3.2456 -3.1300 -3.1253 -0.5621 -0.5465 -0.4655 -0.4546 0.7871 0.8021 0.8742 0.8825 1.7235 1.7277 2.2960 2.3014 2.5793 2.5863 2.5897 2.5923 12.7368 12.7589 12.7810 12.7870 13.1070 13.1166 13.4407 13.4420 k = 0.2188 0.2030 0.7351 ( 2320 PWs) bands (ev): -17.4717 -17.4717 -16.4178 -16.4139 -15.1313 -15.1255 -15.0397 -15.0397 -5.8678 -5.8664 -5.6396 -5.6299 -3.2572 -3.2517 -3.1347 -3.1299 -0.5631 -0.5474 -0.4635 -0.4524 0.7960 0.8112 0.8851 0.8935 1.7178 1.7221 2.2956 2.3012 2.5746 2.5822 2.5859 2.5877 12.7314 12.7536 12.7826 12.7889 13.1070 13.1166 13.4297 13.4308 k = 0.2292 0.2126 0.7351 ( 2320 PWs) bands (ev): -17.4717 -17.4716 -16.4178 -16.4138 -15.1314 -15.1256 -15.0398 -15.0398 -5.8662 -5.8647 -5.6382 -5.6284 -3.2616 -3.2561 -3.1381 -3.1332 -0.5638 -0.5480 -0.4621 -0.4509 0.8025 0.8178 0.8932 0.9016 1.7135 1.7179 2.2952 2.3010 2.5711 2.5792 2.5831 2.5844 12.7275 12.7498 12.7839 12.7903 13.1071 13.1166 13.4217 13.4227 k = 0.2396 0.2223 0.7351 ( 2320 PWs) bands (ev): -17.4717 -17.4716 -16.4178 -16.4138 -15.1315 -15.1256 -15.0399 -15.0398 -5.8651 -5.8637 -5.6374 -5.6275 -3.2643 -3.2587 -3.1402 -3.1353 -0.5642 -0.5484 -0.4612 -0.4500 0.8064 0.8218 0.8982 0.9066 1.7109 1.7153 2.2950 2.3009 2.5690 2.5775 2.5813 2.5825 12.7252 12.7474 12.7846 12.7912 13.1070 13.1166 13.4168 13.4178 k = 0.2500 0.2319 0.7351 ( 2328 PWs) bands (ev): -17.4717 -17.4716 -16.4177 -16.4138 -15.1315 -15.1257 -15.0399 -15.0398 -5.8648 -5.8634 -5.6371 -5.6272 -3.2652 -3.2596 -3.1409 -3.1360 -0.5644 -0.5485 -0.4609 -0.4497 0.8077 0.8232 0.8998 0.9083 1.7100 1.7144 2.2949 2.3009 2.5683 2.5768 2.5807 2.5819 12.7243 12.7466 12.7849 12.7914 13.1070 13.1166 13.4152 13.4161 Writing output data file BPO4.save init_run : 2.43s CPU 12.82s WALL ( 1 calls) electrons : 431.73s CPU 438.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 431.58s CPU 438.26s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.08s WALL ( 1 calls) v_xc : 0.02s CPU 0.65s WALL ( 1 calls) newd : 0.24s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 379 calls) cegterg : 410.13s CPU 413.74s WALL ( 759 calls) Called by sum_band: Called by *egterg: h_psi : 182.39s CPU 189.84s WALL ( 14086 calls) s_psi : 13.07s CPU 14.19s WALL ( 14086 calls) g_psi : 0.31s CPU 0.38s WALL ( 12948 calls) cdiaghg : 161.05s CPU 159.21s WALL ( 13327 calls) cegterg:over : 34.51s CPU 30.22s WALL ( 12948 calls) cegterg:upda : 3.05s CPU 6.10s WALL ( 12948 calls) cegterg:last : 3.39s CPU 4.30s WALL ( 2299 calls) Called by h_psi: h_psi:vloc : 148.82s CPU 155.80s WALL ( 14086 calls) h_psi:vnl : 33.45s CPU 33.53s WALL ( 14086 calls) add_vuspsi : 7.02s CPU 11.17s WALL ( 14086 calls) General routines calbec : 26.39s CPU 22.25s WALL ( 14086 calls) fft : 0.38s CPU 1.45s WALL ( 19 calls) ffts : 0.02s CPU 0.50s WALL ( 4 calls) fftw : 140.17s CPU 145.63s WALL ( 1174556 calls) interpolate : 0.14s CPU 0.64s WALL ( 4 calls) davcio : 0.03s CPU 0.97s WALL ( 758 calls) Parallel routines fft_scatter : 95.68s CPU 100.25s WALL ( 1174579 calls) PWSCF : 7m52.38s CPU 9m 9.07s WALL This run was terminated on: 5:23:43 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=