Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:19:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiH3O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 98 27 2411 2411 358 Max 99 99 28 2414 2414 361 Sum 3551 3551 989 86827 86827 12923 bravais-lattice index = 14 lattice parameter (alat) = 10.4596 a.u. unit-cell volume = 614.5485 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.459616 celldm(2)= 1.000000 celldm(3)= 0.576333 celldm(4)= 0.230977 celldm(5)= 0.230977 celldm(6)= -0.113515 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.113515 0.993536 0.000000 ) a(3) = ( 0.133120 0.149196 0.540537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.114254 -0.277809 ) b(2) = ( 0.000000 1.006506 -0.277809 ) b(3) = ( 0.000000 0.000000 1.850013 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0109644 0.0122884 -0.0057916), wk = 0.0028169 k( 3) = ( 0.0219288 0.0245769 -0.0115831), wk = 0.0028169 k( 4) = ( 0.0328932 0.0368653 -0.0173747), wk = 0.0028169 k( 5) = ( 0.0438575 0.0491538 -0.0231662), wk = 0.0028169 k( 6) = ( 0.0548219 0.0614422 -0.0289577), wk = 0.0028169 k( 7) = ( 0.0657863 0.0737306 -0.0347493), wk = 0.0028169 k( 8) = ( 0.0767507 0.0860191 -0.0405409), wk = 0.0028169 k( 9) = ( 0.0877151 0.0983075 -0.0463324), wk = 0.0028169 k( 10) = ( 0.0986795 0.1105960 -0.0521240), wk = 0.0028169 k( 11) = ( 0.1096438 0.1228844 -0.0579155), wk = 0.0028169 k( 12) = ( 0.1206082 0.1351728 -0.0637070), wk = 0.0028169 k( 13) = ( 0.1315726 0.1474613 -0.0694986), wk = 0.0028169 k( 14) = ( 0.1425370 0.1597497 -0.0752902), wk = 0.0028169 k( 15) = ( 0.1535014 0.1720382 -0.0810817), wk = 0.0028169 k( 16) = ( 0.1644657 0.1843266 -0.0868733), wk = 0.0028169 k( 17) = ( 0.1754301 0.1966150 -0.0926648), wk = 0.0028169 k( 18) = ( 0.1863945 0.2089035 -0.0984564), wk = 0.0028169 k( 19) = ( 0.1973589 0.2211919 -0.1042479), wk = 0.0028169 k( 20) = ( 0.2083233 0.2334804 -0.1100395), wk = 0.0028169 k( 21) = ( 0.2192877 0.2457688 -0.1158310), wk = 0.0028169 k( 22) = ( 0.2302520 0.2580572 -0.1216226), wk = 0.0028169 k( 23) = ( 0.2412164 0.2703457 -0.1274141), wk = 0.0028169 k( 24) = ( 0.2521808 0.2826341 -0.1332057), wk = 0.0028169 k( 25) = ( 0.2631452 0.2949226 -0.1389972), wk = 0.0028169 k( 26) = ( 0.2741096 0.3072110 -0.1447888), wk = 0.0028169 k( 27) = ( 0.2850740 0.3194994 -0.1505803), wk = 0.0028169 k( 28) = ( 0.2960383 0.3317879 -0.1563719), wk = 0.0028169 k( 29) = ( 0.3070027 0.3440763 -0.1621634), wk = 0.0028169 k( 30) = ( 0.3179671 0.3563648 -0.1679550), wk = 0.0028169 k( 31) = ( 0.3289315 0.3686532 -0.1737465), wk = 0.0028169 k( 32) = ( 0.3398959 0.3809416 -0.1795381), wk = 0.0028169 k( 33) = ( 0.3508603 0.3932301 -0.1853296), wk = 0.0028169 k( 34) = ( 0.3618246 0.4055185 -0.1911212), wk = 0.0028169 k( 35) = ( 0.3727890 0.4178070 -0.1969127), wk = 0.0028169 k( 36) = ( 0.3837534 0.4300954 -0.2027043), wk = 0.0028169 k( 37) = ( 0.3947178 0.4423838 -0.2084958), wk = 0.0028169 k( 38) = ( 0.4056822 0.4546723 -0.2142874), wk = 0.0028169 k( 39) = ( 0.4166466 0.4669607 -0.2200789), wk = 0.0028169 k( 40) = ( 0.4276109 0.4792492 -0.2258705), wk = 0.0028169 k( 41) = ( 0.4276109 0.4792492 -0.2258705), wk = 0.0028169 k( 42) = ( 0.4316151 0.4837369 -0.2096115), wk = 0.0028169 k( 43) = ( 0.4356193 0.4882246 -0.1933525), wk = 0.0028169 k( 44) = ( 0.4396234 0.4927123 -0.1770935), wk = 0.0028169 k( 45) = ( 0.4436276 0.4972000 -0.1608346), wk = 0.0028169 k( 46) = ( 0.4476317 0.5016877 -0.1445756), wk = 0.0028169 k( 47) = ( 0.4516359 0.5061754 -0.1283166), wk = 0.0028169 k( 48) = ( 0.4556401 0.5106631 -0.1120576), wk = 0.0028169 k( 49) = ( 0.4596442 0.5151508 -0.0957986), wk = 0.0028169 k( 50) = ( 0.4636484 0.5196385 -0.0795397), wk = 0.0028169 k( 51) = ( 0.4676525 0.5241262 -0.0632807), wk = 0.0028169 k( 52) = ( 0.4716567 0.5286139 -0.0470217), wk = 0.0028169 k( 53) = ( 0.4756609 0.5331016 -0.0307627), wk = 0.0028169 k( 54) = ( 0.4796650 0.5375893 -0.0145038), wk = 0.0028169 k( 55) = ( 0.4836692 0.5420770 0.0017552), wk = 0.0028169 k( 56) = ( 0.4876733 0.5465647 0.0180142), wk = 0.0028169 k( 57) = ( 0.4916775 0.5510524 0.0342732), wk = 0.0028169 k( 58) = ( 0.4956816 0.5555401 0.0505322), wk = 0.0028169 k( 59) = ( 0.4996858 0.5600278 0.0667911), wk = 0.0028169 k( 60) = ( 0.5036900 0.5645155 0.0830501), wk = 0.0028169 k( 61) = ( 0.5076941 0.5690032 0.0993091), wk = 0.0028169 k( 62) = ( 0.5116983 0.5734909 0.1155681), wk = 0.0028169 k( 63) = ( 0.5157025 0.5779786 0.1318271), wk = 0.0028169 k( 64) = ( 0.5197066 0.5824663 0.1480860), wk = 0.0028169 k( 65) = ( 0.5237108 0.5869540 0.1643450), wk = 0.0028169 k( 66) = ( 0.5277149 0.5914417 0.1806040), wk = 0.0028169 k( 67) = ( 0.5317191 0.5959294 0.1968630), wk = 0.0028169 k( 68) = ( 0.5357232 0.6004171 0.2131220), wk = 0.0028169 k( 69) = ( 0.5397274 0.6049048 0.2293809), wk = 0.0028169 k( 70) = ( 0.5437316 0.6093925 0.2456399), wk = 0.0028169 k( 71) = ( 0.5477357 0.6138802 0.2618989), wk = 0.0028169 k( 72) = ( 0.5517399 0.6183679 0.2781579), wk = 0.0028169 k( 73) = ( 0.5557440 0.6228556 0.2944169), wk = 0.0028169 k( 74) = ( 0.5597482 0.6273433 0.3106758), wk = 0.0028169 k( 75) = ( 0.5637524 0.6318310 0.3269348), wk = 0.0028169 k( 76) = ( 0.5677565 0.6363187 0.3431938), wk = 0.0028169 k( 77) = ( 0.5717607 0.6408064 0.3594528), wk = 0.0028169 k( 78) = ( 0.5757648 0.6452941 0.3757118), wk = 0.0028169 k( 79) = ( 0.5797690 0.6497818 0.3919707), wk = 0.0028169 k( 80) = ( 0.5837732 0.6542695 0.4082297), wk = 0.0028169 k( 81) = ( 0.5877773 0.6587572 0.4244887), wk = 0.0028169 k( 82) = ( 0.5917815 0.6632449 0.4407477), wk = 0.0028169 k( 83) = ( 0.5957856 0.6677326 0.4570066), wk = 0.0028169 k( 84) = ( 0.5997898 0.6722203 0.4732656), wk = 0.0028169 k( 85) = ( 0.5997898 0.6722203 0.4732656), wk = 0.0028169 k( 86) = ( 0.5926620 0.6642317 0.4856893), wk = 0.0028169 k( 87) = ( 0.5855341 0.6562431 0.4981130), wk = 0.0028169 k( 88) = ( 0.5784063 0.6482545 0.5105367), wk = 0.0028169 k( 89) = ( 0.5712784 0.6402659 0.5229604), wk = 0.0028169 k( 90) = ( 0.5641506 0.6322773 0.5353840), wk = 0.0028169 k( 91) = ( 0.5570227 0.6242887 0.5478077), wk = 0.0028169 k( 92) = ( 0.5498949 0.6163001 0.5602314), wk = 0.0028169 k( 93) = ( 0.5427671 0.6083115 0.5726551), wk = 0.0028169 k( 94) = ( 0.5356392 0.6003229 0.5850788), wk = 0.0028169 k( 95) = ( 0.5285114 0.5923343 0.5975024), wk = 0.0028169 k( 96) = ( 0.5213835 0.5843457 0.6099261), wk = 0.0028169 k( 97) = ( 0.5142557 0.5763571 0.6223498), wk = 0.0028169 k( 98) = ( 0.5071278 0.5683685 0.6347735), wk = 0.0028169 k( 99) = ( 0.5000000 0.5603799 0.6471972), wk = 0.0028169 k( 100) = ( 0.5000000 0.5603799 0.6471972), wk = 0.0028169 k( 101) = ( 0.5127965 0.5489622 0.6471972), wk = 0.0028169 k( 102) = ( 0.5255930 0.5375445 0.6471972), wk = 0.0028169 k( 103) = ( 0.5383895 0.5261268 0.6471972), wk = 0.0028169 k( 104) = ( 0.5511860 0.5147091 0.6471972), wk = 0.0028169 k( 105) = ( 0.5639825 0.5032914 0.6471972), wk = 0.0028169 k( 106) = ( 0.5767790 0.4918737 0.6471972), wk = 0.0028169 k( 107) = ( 0.5895755 0.4804560 0.6471972), wk = 0.0028169 k( 108) = ( 0.6023721 0.4690383 0.6471972), wk = 0.0028169 k( 109) = ( 0.6151686 0.4576206 0.6471972), wk = 0.0028169 k( 110) = ( 0.6279651 0.4462029 0.6471972), wk = 0.0028169 k( 111) = ( 0.6407616 0.4347851 0.6471972), wk = 0.0028169 k( 112) = ( 0.6535581 0.4233674 0.6471972), wk = 0.0028169 k( 113) = ( 0.6663546 0.4119497 0.6471972), wk = 0.0028169 k( 114) = ( 0.6791511 0.4005320 0.6471972), wk = 0.0028169 k( 115) = ( 0.3208489 -0.2862780 0.9250066), wk = 0.0028169 k( 116) = ( 0.3080150 -0.2748269 0.9250066), wk = 0.0028169 k( 117) = ( 0.2951810 -0.2633758 0.9250066), wk = 0.0028169 k( 118) = ( 0.2823470 -0.2519247 0.9250066), wk = 0.0028169 k( 119) = ( 0.2695131 -0.2404735 0.9250066), wk = 0.0028169 k( 120) = ( 0.2566791 -0.2290224 0.9250066), wk = 0.0028169 k( 121) = ( 0.2438452 -0.2175713 0.9250066), wk = 0.0028169 k( 122) = ( 0.2310112 -0.2061202 0.9250066), wk = 0.0028169 k( 123) = ( 0.2181772 -0.1946690 0.9250066), wk = 0.0028169 k( 124) = ( 0.2053433 -0.1832179 0.9250066), wk = 0.0028169 k( 125) = ( 0.1925093 -0.1717668 0.9250066), wk = 0.0028169 k( 126) = ( 0.1796754 -0.1603157 0.9250066), wk = 0.0028169 k( 127) = ( 0.1668414 -0.1488646 0.9250066), wk = 0.0028169 k( 128) = ( 0.1540075 -0.1374134 0.9250066), wk = 0.0028169 k( 129) = ( 0.1411735 -0.1259623 0.9250066), wk = 0.0028169 k( 130) = ( 0.1283396 -0.1145112 0.9250066), wk = 0.0028169 k( 131) = ( 0.1155056 -0.1030601 0.9250066), wk = 0.0028169 k( 132) = ( 0.1026717 -0.0916090 0.9250066), wk = 0.0028169 k( 133) = ( 0.0898377 -0.0801578 0.9250066), wk = 0.0028169 k( 134) = ( 0.0770037 -0.0687067 0.9250066), wk = 0.0028169 k( 135) = ( 0.0641698 -0.0572556 0.9250066), wk = 0.0028169 k( 136) = ( 0.0513358 -0.0458045 0.9250066), wk = 0.0028169 k( 137) = ( 0.0385019 -0.0343534 0.9250066), wk = 0.0028169 k( 138) = ( 0.0256679 -0.0229022 0.9250066), wk = 0.0028169 k( 139) = ( 0.0128340 -0.0114511 0.9250066), wk = 0.0028169 k( 140) = ( 0.0000000 0.0000000 0.9250066), wk = 0.0028169 k( 141) = ( 0.0000000 0.0000000 0.9250066), wk = 0.0028169 k( 142) = ( 0.0116106 0.0130126 0.9250066), wk = 0.0028169 k( 143) = ( 0.0232211 0.0260253 0.9250066), wk = 0.0028169 k( 144) = ( 0.0348316 0.0390379 0.9250066), wk = 0.0028169 k( 145) = ( 0.0464422 0.0520506 0.9250066), wk = 0.0028169 k( 146) = ( 0.0580528 0.0650632 0.9250066), wk = 0.0028169 k( 147) = ( 0.0696633 0.0780758 0.9250066), wk = 0.0028169 k( 148) = ( 0.0812738 0.0910885 0.9250066), wk = 0.0028169 k( 149) = ( 0.0928844 0.1041011 0.9250066), wk = 0.0028169 k( 150) = ( 0.1044949 0.1171137 0.9250066), wk = 0.0028169 k( 151) = ( 0.1161055 0.1301264 0.9250066), wk = 0.0028169 k( 152) = ( 0.1277160 0.1431390 0.9250066), wk = 0.0028169 k( 153) = ( 0.1393266 0.1561516 0.9250066), wk = 0.0028169 k( 154) = ( 0.1509371 0.1691643 0.9250066), wk = 0.0028169 k( 155) = ( 0.1625477 0.1821769 0.9250066), wk = 0.0028169 k( 156) = ( 0.1741582 0.1951896 0.9250066), wk = 0.0028169 k( 157) = ( 0.1857688 0.2082022 0.9250066), wk = 0.0028169 k( 158) = ( 0.1973793 0.2212148 0.9250066), wk = 0.0028169 k( 159) = ( 0.2089899 0.2342275 0.9250066), wk = 0.0028169 k( 160) = ( 0.2206004 0.2472401 0.9250066), wk = 0.0028169 k( 161) = ( 0.2322110 0.2602527 0.9250066), wk = 0.0028169 k( 162) = ( 0.2438215 0.2732654 0.9250066), wk = 0.0028169 k( 163) = ( 0.2554321 0.2862780 0.9250066), wk = 0.0028169 k( 164) = ( 0.2554321 0.2862780 0.9250066), wk = 0.0028169 k( 165) = ( 0.2657734 0.2978681 0.9175867), wk = 0.0028169 k( 166) = ( 0.2761147 0.3094582 0.9101669), wk = 0.0028169 k( 167) = ( 0.2864560 0.3210483 0.9027471), wk = 0.0028169 k( 168) = ( 0.2967973 0.3326384 0.8953272), wk = 0.0028169 k( 169) = ( 0.3071386 0.3442286 0.8879074), wk = 0.0028169 k( 170) = ( 0.3174799 0.3558187 0.8804875), wk = 0.0028169 k( 171) = ( 0.3278211 0.3674088 0.8730677), wk = 0.0028169 k( 172) = ( 0.3381624 0.3789989 0.8656478), wk = 0.0028169 k( 173) = ( 0.3485037 0.3905890 0.8582280), wk = 0.0028169 k( 174) = ( 0.3588450 0.4021791 0.8508081), wk = 0.0028169 k( 175) = ( 0.3691863 0.4137692 0.8433883), wk = 0.0028169 k( 176) = ( 0.3795276 0.4253593 0.8359684), wk = 0.0028169 k( 177) = ( 0.3898689 0.4369494 0.8285486), wk = 0.0028169 k( 178) = ( 0.4002102 0.4485395 0.8211287), wk = 0.0028169 k( 179) = ( 0.7445679 -0.1720240 0.6471972), wk = 0.0028169 k( 180) = ( 0.7405638 -0.1765117 0.6309382), wk = 0.0028169 k( 181) = ( 0.7365596 -0.1809994 0.6146792), wk = 0.0028169 k( 182) = ( 0.7325554 -0.1854871 0.5984202), wk = 0.0028169 k( 183) = ( 0.7285513 -0.1899748 0.5821613), wk = 0.0028169 k( 184) = ( 0.7245471 -0.1944625 0.5659023), wk = 0.0028169 k( 185) = ( 0.7205430 -0.1989502 0.5496433), wk = 0.0028169 k( 186) = ( 0.7165388 -0.2034379 0.5333843), wk = 0.0028169 k( 187) = ( 0.7125346 -0.2079256 0.5171253), wk = 0.0028169 k( 188) = ( 0.7085305 -0.2124133 0.5008664), wk = 0.0028169 k( 189) = ( 0.7045263 -0.2169010 0.4846074), wk = 0.0028169 k( 190) = ( 0.7005222 -0.2213887 0.4683484), wk = 0.0028169 k( 191) = ( 0.6965180 -0.2258764 0.4520894), wk = 0.0028169 k( 192) = ( 0.6925138 -0.2303641 0.4358305), wk = 0.0028169 k( 193) = ( 0.6885097 -0.2348518 0.4195715), wk = 0.0028169 k( 194) = ( 0.6845055 -0.2393395 0.4033125), wk = 0.0028169 k( 195) = ( 0.6805014 -0.2438272 0.3870535), wk = 0.0028169 k( 196) = ( 0.6764972 -0.2483149 0.3707945), wk = 0.0028169 k( 197) = ( 0.6724931 -0.2528026 0.3545356), wk = 0.0028169 k( 198) = ( 0.6684889 -0.2572903 0.3382766), wk = 0.0028169 k( 199) = ( 0.6644847 -0.2617780 0.3220176), wk = 0.0028169 k( 200) = ( 0.6604806 -0.2662657 0.3057586), wk = 0.0028169 k( 201) = ( 0.6564764 -0.2707534 0.2894996), wk = 0.0028169 k( 202) = ( 0.6524722 -0.2752411 0.2732407), wk = 0.0028169 k( 203) = ( 0.6484681 -0.2797288 0.2569817), wk = 0.0028169 k( 204) = ( 0.6444639 -0.2842165 0.2407227), wk = 0.0028169 k( 205) = ( 0.6404598 -0.2887042 0.2244637), wk = 0.0028169 k( 206) = ( 0.6364556 -0.2931919 0.2082047), wk = 0.0028169 k( 207) = ( 0.6324515 -0.2976796 0.1919458), wk = 0.0028169 k( 208) = ( 0.6284473 -0.3021673 0.1756868), wk = 0.0028169 k( 209) = ( 0.6244431 -0.3066550 0.1594278), wk = 0.0028169 k( 210) = ( 0.6204390 -0.3111427 0.1431688), wk = 0.0028169 k( 211) = ( 0.6164348 -0.3156304 0.1269098), wk = 0.0028169 k( 212) = ( 0.6124307 -0.3201181 0.1106509), wk = 0.0028169 k( 213) = ( 0.6084265 -0.3246058 0.0943919), wk = 0.0028169 k( 214) = ( 0.6044223 -0.3290935 0.0781329), wk = 0.0028169 k( 215) = ( 0.6004182 -0.3335812 0.0618739), wk = 0.0028169 k( 216) = ( 0.5964140 -0.3380689 0.0456149), wk = 0.0028169 k( 217) = ( 0.5924099 -0.3425566 0.0293560), wk = 0.0028169 k( 218) = ( 0.5884057 -0.3470444 0.0130970), wk = 0.0028169 k( 219) = ( 0.5844015 -0.3515321 -0.0031620), wk = 0.0028169 k( 220) = ( 0.5803974 -0.3560198 -0.0194210), wk = 0.0028169 k( 221) = ( 0.5763932 -0.3605075 -0.0356799), wk = 0.0028169 k( 222) = ( 0.5723891 -0.3649952 -0.0519389), wk = 0.0028169 k( 223) = ( 0.5723891 -0.3649952 -0.0519389), wk = 0.0028169 k( 224) = ( 0.5620478 -0.3765853 -0.0445191), wk = 0.0028169 k( 225) = ( 0.5517065 -0.3881754 -0.0370992), wk = 0.0028169 k( 226) = ( 0.5413652 -0.3997655 -0.0296794), wk = 0.0028169 k( 227) = ( 0.5310239 -0.4113556 -0.0222595), wk = 0.0028169 k( 228) = ( 0.5206826 -0.4229457 -0.0148397), wk = 0.0028169 k( 229) = ( 0.5103413 -0.4345358 -0.0074198), wk = 0.0028169 k( 230) = ( 0.5000000 -0.4461259 0.0000000), wk = 0.0028169 k( 231) = ( 0.5000000 -0.4461259 0.0000000), wk = 0.0028169 k( 232) = ( 0.4871795 -0.4346868 0.0000000), wk = 0.0028169 k( 233) = ( 0.4743590 -0.4232477 0.0000000), wk = 0.0028169 k( 234) = ( 0.4615385 -0.4118085 0.0000000), wk = 0.0028169 k( 235) = ( 0.4487179 -0.4003694 0.0000000), wk = 0.0028169 k( 236) = ( 0.4358974 -0.3889303 0.0000000), wk = 0.0028169 k( 237) = ( 0.4230769 -0.3774912 0.0000000), wk = 0.0028169 k( 238) = ( 0.4102564 -0.3660520 0.0000000), wk = 0.0028169 k( 239) = ( 0.3974359 -0.3546129 0.0000000), wk = 0.0028169 k( 240) = ( 0.3846154 -0.3431738 0.0000000), wk = 0.0028169 k( 241) = ( 0.3717949 -0.3317346 0.0000000), wk = 0.0028169 k( 242) = ( 0.3589744 -0.3202955 0.0000000), wk = 0.0028169 k( 243) = ( 0.3461538 -0.3088564 0.0000000), wk = 0.0028169 k( 244) = ( 0.3333333 -0.2974173 0.0000000), wk = 0.0028169 k( 245) = ( 0.3205128 -0.2859781 0.0000000), wk = 0.0028169 k( 246) = ( 0.3076923 -0.2745390 0.0000000), wk = 0.0028169 k( 247) = ( 0.2948718 -0.2630999 0.0000000), wk = 0.0028169 k( 248) = ( 0.2820513 -0.2516608 0.0000000), wk = 0.0028169 k( 249) = ( 0.2692308 -0.2402216 0.0000000), wk = 0.0028169 k( 250) = ( 0.2564103 -0.2287825 0.0000000), wk = 0.0028169 k( 251) = ( 0.2435897 -0.2173434 0.0000000), wk = 0.0028169 k( 252) = ( 0.2307692 -0.2059043 0.0000000), wk = 0.0028169 k( 253) = ( 0.2179487 -0.1944651 0.0000000), wk = 0.0028169 k( 254) = ( 0.2051282 -0.1830260 0.0000000), wk = 0.0028169 k( 255) = ( 0.1923077 -0.1715869 0.0000000), wk = 0.0028169 k( 256) = ( 0.1794872 -0.1601478 0.0000000), wk = 0.0028169 k( 257) = ( 0.1666667 -0.1487086 0.0000000), wk = 0.0028169 k( 258) = ( 0.1538461 -0.1372695 0.0000000), wk = 0.0028169 k( 259) = ( 0.1410256 -0.1258304 0.0000000), wk = 0.0028169 k( 260) = ( 0.1282051 -0.1143913 0.0000000), wk = 0.0028169 k( 261) = ( 0.1153846 -0.1029521 0.0000000), wk = 0.0028169 k( 262) = ( 0.1025641 -0.0915130 0.0000000), wk = 0.0028169 k( 263) = ( 0.0897436 -0.0800739 0.0000000), wk = 0.0028169 k( 264) = ( 0.0769231 -0.0686348 0.0000000), wk = 0.0028169 k( 265) = ( 0.0641026 -0.0571956 0.0000000), wk = 0.0028169 k( 266) = ( 0.0512821 -0.0457565 0.0000000), wk = 0.0028169 k( 267) = ( 0.0384615 -0.0343174 0.0000000), wk = 0.0028169 k( 268) = ( 0.0256410 -0.0228783 0.0000000), wk = 0.0028169 k( 269) = ( 0.0128205 -0.0114391 0.0000000), wk = 0.0028169 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 272) = ( 0.0166667 0.0019042 -0.0046302), wk = 0.0028169 k( 273) = ( 0.0333333 0.0038085 -0.0092603), wk = 0.0028169 k( 274) = ( 0.0500000 0.0057127 -0.0138905), wk = 0.0028169 k( 275) = ( 0.0666667 0.0076169 -0.0185206), wk = 0.0028169 k( 276) = ( 0.0833333 0.0095212 -0.0231508), wk = 0.0028169 k( 277) = ( 0.1000000 0.0114254 -0.0277809), wk = 0.0028169 k( 278) = ( 0.1166667 0.0133296 -0.0324111), wk = 0.0028169 k( 279) = ( 0.1333333 0.0152339 -0.0370413), wk = 0.0028169 k( 280) = ( 0.1500000 0.0171381 -0.0416714), wk = 0.0028169 k( 281) = ( 0.1666667 0.0190423 -0.0463016), wk = 0.0028169 k( 282) = ( 0.1833333 0.0209466 -0.0509317), wk = 0.0028169 k( 283) = ( 0.2000000 0.0228508 -0.0555619), wk = 0.0028169 k( 284) = ( 0.2166667 0.0247550 -0.0601920), wk = 0.0028169 k( 285) = ( 0.2333333 0.0266593 -0.0648222), wk = 0.0028169 k( 286) = ( 0.2500000 0.0285635 -0.0694524), wk = 0.0028169 k( 287) = ( 0.2666667 0.0304677 -0.0740825), wk = 0.0028169 k( 288) = ( 0.2833333 0.0323720 -0.0787127), wk = 0.0028169 k( 289) = ( 0.3000000 0.0342762 -0.0833428), wk = 0.0028169 k( 290) = ( 0.3166667 0.0361804 -0.0879730), wk = 0.0028169 k( 291) = ( 0.3333333 0.0380847 -0.0926031), wk = 0.0028169 k( 292) = ( 0.3500000 0.0399889 -0.0972333), wk = 0.0028169 k( 293) = ( 0.3666667 0.0418931 -0.1018635), wk = 0.0028169 k( 294) = ( 0.3833333 0.0437974 -0.1064936), wk = 0.0028169 k( 295) = ( 0.4000000 0.0457016 -0.1111238), wk = 0.0028169 k( 296) = ( 0.4166667 0.0476058 -0.1157539), wk = 0.0028169 k( 297) = ( 0.4333333 0.0495101 -0.1203841), wk = 0.0028169 k( 298) = ( 0.4500000 0.0514143 -0.1250142), wk = 0.0028169 k( 299) = ( 0.4666667 0.0533185 -0.1296444), wk = 0.0028169 k( 300) = ( 0.4833333 0.0552228 -0.1342745), wk = 0.0028169 k( 301) = ( 0.5000000 0.0571270 -0.1389047), wk = 0.0028169 k( 302) = ( 0.5000000 0.0571270 0.7861019), wk = 0.0028169 k( 303) = ( 0.4905660 0.0560491 0.7712698), wk = 0.0028169 k( 304) = ( 0.4811321 0.0549713 0.7564377), wk = 0.0028169 k( 305) = ( 0.4716981 0.0538934 0.7416055), wk = 0.0028169 k( 306) = ( 0.4622641 0.0528155 0.7267734), wk = 0.0028169 k( 307) = ( 0.4528302 0.0517377 0.7119413), wk = 0.0028169 k( 308) = ( 0.4433962 0.0506598 0.6971092), wk = 0.0028169 k( 309) = ( 0.4339623 0.0495819 0.6822771), wk = 0.0028169 k( 310) = ( 0.4245283 0.0485041 0.6674450), wk = 0.0028169 k( 311) = ( 0.4150943 0.0474262 0.6526129), wk = 0.0028169 k( 312) = ( 0.4056604 0.0463483 0.6377808), wk = 0.0028169 k( 313) = ( 0.3962264 0.0452705 0.6229487), wk = 0.0028169 k( 314) = ( 0.3867925 0.0441926 0.6081165), wk = 0.0028169 k( 315) = ( 0.3773585 0.0431147 0.5932844), wk = 0.0028169 k( 316) = ( 0.3679245 0.0420369 0.5784523), wk = 0.0028169 k( 317) = ( 0.3584906 0.0409590 0.5636202), wk = 0.0028169 k( 318) = ( 0.3490566 0.0398811 0.5487881), wk = 0.0028169 k( 319) = ( 0.3396226 0.0388032 0.5339560), wk = 0.0028169 k( 320) = ( 0.3301887 0.0377254 0.5191239), wk = 0.0028169 k( 321) = ( 0.3207547 0.0366475 0.5042918), wk = 0.0028169 k( 322) = ( 0.3113207 0.0355696 0.4894597), wk = 0.0028169 k( 323) = ( 0.3018868 0.0344918 0.4746275), wk = 0.0028169 k( 324) = ( 0.2924528 0.0334139 0.4597954), wk = 0.0028169 k( 325) = ( 0.2830189 0.0323360 0.4449633), wk = 0.0028169 k( 326) = ( 0.2735849 0.0312582 0.4301312), wk = 0.0028169 k( 327) = ( 0.2641509 0.0301803 0.4152991), wk = 0.0028169 k( 328) = ( 0.2547170 0.0291024 0.4004670), wk = 0.0028169 k( 329) = ( 0.2452830 0.0280246 0.3856349), wk = 0.0028169 k( 330) = ( 0.2358491 0.0269467 0.3708028), wk = 0.0028169 k( 331) = ( 0.2264151 0.0258688 0.3559707), wk = 0.0028169 k( 332) = ( 0.2169811 0.0247910 0.3411386), wk = 0.0028169 k( 333) = ( 0.2075472 0.0237131 0.3263064), wk = 0.0028169 k( 334) = ( 0.1981132 0.0226352 0.3114743), wk = 0.0028169 k( 335) = ( 0.1886792 0.0215574 0.2966422), wk = 0.0028169 k( 336) = ( 0.1792453 0.0204795 0.2818101), wk = 0.0028169 k( 337) = ( 0.1698113 0.0194016 0.2669780), wk = 0.0028169 k( 338) = ( 0.1603774 0.0183238 0.2521459), wk = 0.0028169 k( 339) = ( 0.1509434 0.0172459 0.2373138), wk = 0.0028169 k( 340) = ( 0.1415094 0.0161680 0.2224817), wk = 0.0028169 k( 341) = ( 0.1320755 0.0150902 0.2076496), wk = 0.0028169 k( 342) = ( 0.1226415 0.0140123 0.1928174), wk = 0.0028169 k( 343) = ( 0.1132076 0.0129344 0.1779853), wk = 0.0028169 k( 344) = ( 0.1037736 0.0118565 0.1631532), wk = 0.0028169 k( 345) = ( 0.0943396 0.0107787 0.1483211), wk = 0.0028169 k( 346) = ( 0.0849057 0.0097008 0.1334890), wk = 0.0028169 k( 347) = ( 0.0754717 0.0086229 0.1186569), wk = 0.0028169 k( 348) = ( 0.0660377 0.0075451 0.1038248), wk = 0.0028169 k( 349) = ( 0.0566038 0.0064672 0.0889927), wk = 0.0028169 k( 350) = ( 0.0471698 0.0053893 0.0741606), wk = 0.0028169 k( 351) = ( 0.0377359 0.0043115 0.0593284), wk = 0.0028169 k( 352) = ( 0.0283019 0.0032336 0.0444963), wk = 0.0028169 k( 353) = ( 0.0188679 0.0021557 0.0296642), wk = 0.0028169 k( 354) = ( 0.0094340 0.0010779 0.0148321), wk = 0.0028169 k( 355) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0109644 0.0109644 0.0001624), wk = 0.0028169 k( 3) = ( 0.0219288 0.0219288 0.0003248), wk = 0.0028169 k( 4) = ( 0.0328932 0.0328932 0.0004872), wk = 0.0028169 k( 5) = ( 0.0438575 0.0438575 0.0006496), wk = 0.0028169 k( 6) = ( 0.0548219 0.0548219 0.0008121), wk = 0.0028169 k( 7) = ( 0.0657863 0.0657863 0.0009745), wk = 0.0028169 k( 8) = ( 0.0767507 0.0767507 0.0011369), wk = 0.0028169 k( 9) = ( 0.0877151 0.0877151 0.0012993), wk = 0.0028169 k( 10) = ( 0.0986795 0.0986795 0.0014617), wk = 0.0028169 k( 11) = ( 0.1096438 0.1096438 0.0016241), wk = 0.0028169 k( 12) = ( 0.1206082 0.1206082 0.0017865), wk = 0.0028169 k( 13) = ( 0.1315726 0.1315726 0.0019490), wk = 0.0028169 k( 14) = ( 0.1425370 0.1425370 0.0021114), wk = 0.0028169 k( 15) = ( 0.1535014 0.1535014 0.0022738), wk = 0.0028169 k( 16) = ( 0.1644657 0.1644657 0.0024362), wk = 0.0028169 k( 17) = ( 0.1754301 0.1754301 0.0025986), wk = 0.0028169 k( 18) = ( 0.1863945 0.1863945 0.0027610), wk = 0.0028169 k( 19) = ( 0.1973589 0.1973589 0.0029234), wk = 0.0028169 k( 20) = ( 0.2083233 0.2083233 0.0030858), wk = 0.0028169 k( 21) = ( 0.2192877 0.2192877 0.0032483), wk = 0.0028169 k( 22) = ( 0.2302520 0.2302520 0.0034107), wk = 0.0028169 k( 23) = ( 0.2412164 0.2412164 0.0035731), wk = 0.0028169 k( 24) = ( 0.2521808 0.2521808 0.0037355), wk = 0.0028169 k( 25) = ( 0.2631452 0.2631452 0.0038979), wk = 0.0028169 k( 26) = ( 0.2741096 0.2741096 0.0040603), wk = 0.0028169 k( 27) = ( 0.2850740 0.2850740 0.0042227), wk = 0.0028169 k( 28) = ( 0.2960383 0.2960383 0.0043852), wk = 0.0028169 k( 29) = ( 0.3070027 0.3070027 0.0045476), wk = 0.0028169 k( 30) = ( 0.3179671 0.3179671 0.0047100), wk = 0.0028169 k( 31) = ( 0.3289315 0.3289315 0.0048724), wk = 0.0028169 k( 32) = ( 0.3398959 0.3398959 0.0050348), wk = 0.0028169 k( 33) = ( 0.3508603 0.3508603 0.0051972), wk = 0.0028169 k( 34) = ( 0.3618246 0.3618246 0.0053596), wk = 0.0028169 k( 35) = ( 0.3727890 0.3727890 0.0055220), wk = 0.0028169 k( 36) = ( 0.3837534 0.3837534 0.0056845), wk = 0.0028169 k( 37) = ( 0.3947178 0.3947178 0.0058469), wk = 0.0028169 k( 38) = ( 0.4056822 0.4056822 0.0060093), wk = 0.0028169 k( 39) = ( 0.4166466 0.4166466 0.0061717), wk = 0.0028169 k( 40) = ( 0.4276109 0.4276109 0.0063341), wk = 0.0028169 k( 41) = ( 0.4276109 0.4276109 0.0063341), wk = 0.0028169 k( 42) = ( 0.4316151 0.4316151 0.0163253), wk = 0.0028169 k( 43) = ( 0.4356193 0.4356193 0.0263164), wk = 0.0028169 k( 44) = ( 0.4396234 0.4396234 0.0363076), wk = 0.0028169 k( 45) = ( 0.4436276 0.4436276 0.0462987), wk = 0.0028169 k( 46) = ( 0.4476317 0.4476317 0.0562899), wk = 0.0028169 k( 47) = ( 0.4516359 0.4516359 0.0662810), wk = 0.0028169 k( 48) = ( 0.4556401 0.4556401 0.0762722), wk = 0.0028169 k( 49) = ( 0.4596442 0.4596442 0.0862634), wk = 0.0028169 k( 50) = ( 0.4636484 0.4636484 0.0962545), wk = 0.0028169 k( 51) = ( 0.4676525 0.4676525 0.1062456), wk = 0.0028169 k( 52) = ( 0.4716567 0.4716567 0.1162368), wk = 0.0028169 k( 53) = ( 0.4756609 0.4756609 0.1262280), wk = 0.0028169 k( 54) = ( 0.4796650 0.4796650 0.1362191), wk = 0.0028169 k( 55) = ( 0.4836692 0.4836692 0.1462103), wk = 0.0028169 k( 56) = ( 0.4876733 0.4876733 0.1562014), wk = 0.0028169 k( 57) = ( 0.4916775 0.4916775 0.1661926), wk = 0.0028169 k( 58) = ( 0.4956816 0.4956816 0.1761837), wk = 0.0028169 k( 59) = ( 0.4996858 0.4996858 0.1861749), wk = 0.0028169 k( 60) = ( 0.5036900 0.5036900 0.1961660), wk = 0.0028169 k( 61) = ( 0.5076941 0.5076941 0.2061572), wk = 0.0028169 k( 62) = ( 0.5116983 0.5116983 0.2161483), wk = 0.0028169 k( 63) = ( 0.5157025 0.5157025 0.2261395), wk = 0.0028169 k( 64) = ( 0.5197066 0.5197066 0.2361306), wk = 0.0028169 k( 65) = ( 0.5237108 0.5237108 0.2461218), wk = 0.0028169 k( 66) = ( 0.5277149 0.5277149 0.2561130), wk = 0.0028169 k( 67) = ( 0.5317191 0.5317191 0.2661041), wk = 0.0028169 k( 68) = ( 0.5357232 0.5357232 0.2760953), wk = 0.0028169 k( 69) = ( 0.5397274 0.5397274 0.2860864), wk = 0.0028169 k( 70) = ( 0.5437316 0.5437316 0.2960776), wk = 0.0028169 k( 71) = ( 0.5477357 0.5477357 0.3060687), wk = 0.0028169 k( 72) = ( 0.5517399 0.5517399 0.3160599), wk = 0.0028169 k( 73) = ( 0.5557440 0.5557440 0.3260510), wk = 0.0028169 k( 74) = ( 0.5597482 0.5597482 0.3360422), wk = 0.0028169 k( 75) = ( 0.5637524 0.5637524 0.3460333), wk = 0.0028169 k( 76) = ( 0.5677565 0.5677565 0.3560245), wk = 0.0028169 k( 77) = ( 0.5717607 0.5717607 0.3660156), wk = 0.0028169 k( 78) = ( 0.5757648 0.5757648 0.3760068), wk = 0.0028169 k( 79) = ( 0.5797690 0.5797690 0.3859979), wk = 0.0028169 k( 80) = ( 0.5837732 0.5837732 0.3959891), wk = 0.0028169 k( 81) = ( 0.5877773 0.5877773 0.4059803), wk = 0.0028169 k( 82) = ( 0.5917815 0.5917815 0.4159714), wk = 0.0028169 k( 83) = ( 0.5957856 0.5957856 0.4259626), wk = 0.0028169 k( 84) = ( 0.5997898 0.5997898 0.4359537), wk = 0.0028169 k( 85) = ( 0.5997898 0.5997898 0.4359537), wk = 0.0028169 k( 86) = ( 0.5926620 0.5926620 0.4405285), wk = 0.0028169 k( 87) = ( 0.5855341 0.5855341 0.4451032), wk = 0.0028169 k( 88) = ( 0.5784063 0.5784063 0.4496779), wk = 0.0028169 k( 89) = ( 0.5712784 0.5712784 0.4542527), wk = 0.0028169 k( 90) = ( 0.5641506 0.5641506 0.4588274), wk = 0.0028169 k( 91) = ( 0.5570227 0.5570227 0.4634021), wk = 0.0028169 k( 92) = ( 0.5498949 0.5498949 0.4679769), wk = 0.0028169 k( 93) = ( 0.5427671 0.5427671 0.4725516), wk = 0.0028169 k( 94) = ( 0.5356392 0.5356392 0.4771263), wk = 0.0028169 k( 95) = ( 0.5285114 0.5285114 0.4817011), wk = 0.0028169 k( 96) = ( 0.5213835 0.5213835 0.4862758), wk = 0.0028169 k( 97) = ( 0.5142557 0.5142557 0.4908505), wk = 0.0028169 k( 98) = ( 0.5071278 0.5071278 0.4954253), wk = 0.0028169 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 101) = ( 0.5127965 0.4872035 0.5000000), wk = 0.0028169 k( 102) = ( 0.5255930 0.4744070 0.5000000), wk = 0.0028169 k( 103) = ( 0.5383895 0.4616105 0.5000000), wk = 0.0028169 k( 104) = ( 0.5511860 0.4488140 0.5000000), wk = 0.0028169 k( 105) = ( 0.5639825 0.4360175 0.5000000), wk = 0.0028169 k( 106) = ( 0.5767790 0.4232210 0.5000000), wk = 0.0028169 k( 107) = ( 0.5895755 0.4104245 0.5000000), wk = 0.0028169 k( 108) = ( 0.6023721 0.3976279 0.5000000), wk = 0.0028169 k( 109) = ( 0.6151686 0.3848314 0.5000000), wk = 0.0028169 k( 110) = ( 0.6279651 0.3720349 0.5000000), wk = 0.0028169 k( 111) = ( 0.6407616 0.3592384 0.5000000), wk = 0.0028169 k( 112) = ( 0.6535581 0.3464419 0.5000000), wk = 0.0028169 k( 113) = ( 0.6663546 0.3336454 0.5000000), wk = 0.0028169 k( 114) = ( 0.6791511 0.3208489 0.5000000), wk = 0.0028169 k( 115) = ( 0.3208489 -0.3208489 0.5000000), wk = 0.0028169 k( 116) = ( 0.3080150 -0.3080150 0.5000000), wk = 0.0028169 k( 117) = ( 0.2951810 -0.2951810 0.5000000), wk = 0.0028169 k( 118) = ( 0.2823470 -0.2823470 0.5000000), wk = 0.0028169 k( 119) = ( 0.2695131 -0.2695131 0.5000000), wk = 0.0028169 k( 120) = ( 0.2566791 -0.2566791 0.5000000), wk = 0.0028169 k( 121) = ( 0.2438452 -0.2438452 0.5000000), wk = 0.0028169 k( 122) = ( 0.2310112 -0.2310112 0.5000000), wk = 0.0028169 k( 123) = ( 0.2181772 -0.2181772 0.5000000), wk = 0.0028169 k( 124) = ( 0.2053433 -0.2053433 0.5000000), wk = 0.0028169 k( 125) = ( 0.1925093 -0.1925093 0.5000000), wk = 0.0028169 k( 126) = ( 0.1796754 -0.1796754 0.5000000), wk = 0.0028169 k( 127) = ( 0.1668414 -0.1668414 0.5000000), wk = 0.0028169 k( 128) = ( 0.1540075 -0.1540075 0.5000000), wk = 0.0028169 k( 129) = ( 0.1411735 -0.1411735 0.5000000), wk = 0.0028169 k( 130) = ( 0.1283396 -0.1283396 0.5000000), wk = 0.0028169 k( 131) = ( 0.1155056 -0.1155056 0.5000000), wk = 0.0028169 k( 132) = ( 0.1026717 -0.1026717 0.5000000), wk = 0.0028169 k( 133) = ( 0.0898377 -0.0898377 0.5000000), wk = 0.0028169 k( 134) = ( 0.0770037 -0.0770037 0.5000000), wk = 0.0028169 k( 135) = ( 0.0641698 -0.0641698 0.5000000), wk = 0.0028169 k( 136) = ( 0.0513358 -0.0513358 0.5000000), wk = 0.0028169 k( 137) = ( 0.0385019 -0.0385019 0.5000000), wk = 0.0028169 k( 138) = ( 0.0256679 -0.0256679 0.5000000), wk = 0.0028169 k( 139) = ( 0.0128340 -0.0128340 0.5000000), wk = 0.0028169 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 142) = ( 0.0116106 0.0116106 0.5034870), wk = 0.0028169 k( 143) = ( 0.0232211 0.0232211 0.5069740), wk = 0.0028169 k( 144) = ( 0.0348316 0.0348316 0.5104611), wk = 0.0028169 k( 145) = ( 0.0464422 0.0464422 0.5139481), wk = 0.0028169 k( 146) = ( 0.0580528 0.0580528 0.5174351), wk = 0.0028169 k( 147) = ( 0.0696633 0.0696633 0.5209221), wk = 0.0028169 k( 148) = ( 0.0812738 0.0812738 0.5244092), wk = 0.0028169 k( 149) = ( 0.0928844 0.0928844 0.5278962), wk = 0.0028169 k( 150) = ( 0.1044949 0.1044949 0.5313832), wk = 0.0028169 k( 151) = ( 0.1161055 0.1161055 0.5348702), wk = 0.0028169 k( 152) = ( 0.1277160 0.1277160 0.5383573), wk = 0.0028169 k( 153) = ( 0.1393266 0.1393266 0.5418443), wk = 0.0028169 k( 154) = ( 0.1509371 0.1509371 0.5453313), wk = 0.0028169 k( 155) = ( 0.1625477 0.1625477 0.5488183), wk = 0.0028169 k( 156) = ( 0.1741582 0.1741582 0.5523054), wk = 0.0028169 k( 157) = ( 0.1857688 0.1857688 0.5557924), wk = 0.0028169 k( 158) = ( 0.1973793 0.1973793 0.5592794), wk = 0.0028169 k( 159) = ( 0.2089899 0.2089899 0.5627664), wk = 0.0028169 k( 160) = ( 0.2206004 0.2206004 0.5662535), wk = 0.0028169 k( 161) = ( 0.2322110 0.2322110 0.5697405), wk = 0.0028169 k( 162) = ( 0.2438215 0.2438215 0.5732275), wk = 0.0028169 k( 163) = ( 0.2554321 0.2554321 0.5767145), wk = 0.0028169 k( 164) = ( 0.2554321 0.2554321 0.5767145), wk = 0.0028169 k( 165) = ( 0.2657734 0.2657734 0.5758096), wk = 0.0028169 k( 166) = ( 0.2761147 0.2761147 0.5749048), wk = 0.0028169 k( 167) = ( 0.2864560 0.2864560 0.5739999), wk = 0.0028169 k( 168) = ( 0.2967973 0.2967973 0.5730950), wk = 0.0028169 k( 169) = ( 0.3071386 0.3071386 0.5721901), wk = 0.0028169 k( 170) = ( 0.3174799 0.3174799 0.5712853), wk = 0.0028169 k( 171) = ( 0.3278211 0.3278211 0.5703804), wk = 0.0028169 k( 172) = ( 0.3381624 0.3381624 0.5694755), wk = 0.0028169 k( 173) = ( 0.3485037 0.3485037 0.5685706), wk = 0.0028169 k( 174) = ( 0.3588450 0.3588450 0.5676658), wk = 0.0028169 k( 175) = ( 0.3691863 0.3691863 0.5667609), wk = 0.0028169 k( 176) = ( 0.3795276 0.3795276 0.5658560), wk = 0.0028169 k( 177) = ( 0.3898689 0.3898689 0.5649512), wk = 0.0028169 k( 178) = ( 0.4002102 0.4002102 0.5640463), wk = 0.0028169 k( 179) = ( 0.7445679 -0.2554321 0.4232855), wk = 0.0028169 k( 180) = ( 0.7405638 -0.2594362 0.4132943), wk = 0.0028169 k( 181) = ( 0.7365596 -0.2634404 0.4033032), wk = 0.0028169 k( 182) = ( 0.7325554 -0.2674446 0.3933120), wk = 0.0028169 k( 183) = ( 0.7285513 -0.2714487 0.3833209), wk = 0.0028169 k( 184) = ( 0.7245471 -0.2754529 0.3733297), wk = 0.0028169 k( 185) = ( 0.7205430 -0.2794570 0.3633386), wk = 0.0028169 k( 186) = ( 0.7165388 -0.2834612 0.3533474), wk = 0.0028169 k( 187) = ( 0.7125346 -0.2874654 0.3433562), wk = 0.0028169 k( 188) = ( 0.7085305 -0.2914695 0.3333651), wk = 0.0028169 k( 189) = ( 0.7045263 -0.2954737 0.3233740), wk = 0.0028169 k( 190) = ( 0.7005222 -0.2994778 0.3133828), wk = 0.0028169 k( 191) = ( 0.6965180 -0.3034820 0.3033916), wk = 0.0028169 k( 192) = ( 0.6925138 -0.3074862 0.2934005), wk = 0.0028169 k( 193) = ( 0.6885097 -0.3114903 0.2834093), wk = 0.0028169 k( 194) = ( 0.6845055 -0.3154945 0.2734182), wk = 0.0028169 k( 195) = ( 0.6805014 -0.3194986 0.2634270), wk = 0.0028169 k( 196) = ( 0.6764972 -0.3235028 0.2534359), wk = 0.0028169 k( 197) = ( 0.6724931 -0.3275070 0.2434447), wk = 0.0028169 k( 198) = ( 0.6684889 -0.3315111 0.2334536), wk = 0.0028169 k( 199) = ( 0.6644847 -0.3355153 0.2234624), wk = 0.0028169 k( 200) = ( 0.6604806 -0.3395194 0.2134713), wk = 0.0028169 k( 201) = ( 0.6564764 -0.3435236 0.2034801), wk = 0.0028169 k( 202) = ( 0.6524722 -0.3475278 0.1934889), wk = 0.0028169 k( 203) = ( 0.6484681 -0.3515319 0.1834978), wk = 0.0028169 k( 204) = ( 0.6444639 -0.3555361 0.1735066), wk = 0.0028169 k( 205) = ( 0.6404598 -0.3595402 0.1635155), wk = 0.0028169 k( 206) = ( 0.6364556 -0.3635444 0.1535243), wk = 0.0028169 k( 207) = ( 0.6324515 -0.3675485 0.1435332), wk = 0.0028169 k( 208) = ( 0.6284473 -0.3715527 0.1335420), wk = 0.0028169 k( 209) = ( 0.6244431 -0.3755569 0.1235509), wk = 0.0028169 k( 210) = ( 0.6204390 -0.3795610 0.1135597), wk = 0.0028169 k( 211) = ( 0.6164348 -0.3835652 0.1035686), wk = 0.0028169 k( 212) = ( 0.6124307 -0.3875693 0.0935774), wk = 0.0028169 k( 213) = ( 0.6084265 -0.3915735 0.0835863), wk = 0.0028169 k( 214) = ( 0.6044223 -0.3955777 0.0735951), wk = 0.0028169 k( 215) = ( 0.6004182 -0.3995818 0.0636040), wk = 0.0028169 k( 216) = ( 0.5964140 -0.4035860 0.0536128), wk = 0.0028169 k( 217) = ( 0.5924099 -0.4075901 0.0436216), wk = 0.0028169 k( 218) = ( 0.5884057 -0.4115943 0.0336305), wk = 0.0028169 k( 219) = ( 0.5844015 -0.4155985 0.0236393), wk = 0.0028169 k( 220) = ( 0.5803974 -0.4196026 0.0136482), wk = 0.0028169 k( 221) = ( 0.5763932 -0.4236068 0.0036570), wk = 0.0028169 k( 222) = ( 0.5723891 -0.4276109 -0.0063341), wk = 0.0028169 k( 223) = ( 0.5723891 -0.4276109 -0.0063341), wk = 0.0028169 k( 224) = ( 0.5620478 -0.4379522 -0.0054292), wk = 0.0028169 k( 225) = ( 0.5517065 -0.4482935 -0.0045244), wk = 0.0028169 k( 226) = ( 0.5413652 -0.4586348 -0.0036195), wk = 0.0028169 k( 227) = ( 0.5310239 -0.4689761 -0.0027146), wk = 0.0028169 k( 228) = ( 0.5206826 -0.4793174 -0.0018098), wk = 0.0028169 k( 229) = ( 0.5103413 -0.4896587 -0.0009049), wk = 0.0028169 k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0028169 k( 231) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0028169 k( 232) = ( 0.4871795 -0.4871795 0.0000000), wk = 0.0028169 k( 233) = ( 0.4743590 -0.4743590 -0.0000000), wk = 0.0028169 k( 234) = ( 0.4615385 -0.4615385 -0.0000000), wk = 0.0028169 k( 235) = ( 0.4487179 -0.4487179 -0.0000000), wk = 0.0028169 k( 236) = ( 0.4358974 -0.4358974 -0.0000000), wk = 0.0028169 k( 237) = ( 0.4230769 -0.4230769 0.0000000), wk = 0.0028169 k( 238) = ( 0.4102564 -0.4102564 -0.0000000), wk = 0.0028169 k( 239) = ( 0.3974359 -0.3974359 -0.0000000), wk = 0.0028169 k( 240) = ( 0.3846154 -0.3846154 -0.0000000), wk = 0.0028169 k( 241) = ( 0.3717949 -0.3717949 -0.0000000), wk = 0.0028169 k( 242) = ( 0.3589744 -0.3589744 -0.0000000), wk = 0.0028169 k( 243) = ( 0.3461538 -0.3461538 0.0000000), wk = 0.0028169 k( 244) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0028169 k( 245) = ( 0.3205128 -0.3205128 0.0000000), wk = 0.0028169 k( 246) = ( 0.3076923 -0.3076923 -0.0000000), wk = 0.0028169 k( 247) = ( 0.2948718 -0.2948718 -0.0000000), wk = 0.0028169 k( 248) = ( 0.2820513 -0.2820513 -0.0000000), wk = 0.0028169 k( 249) = ( 0.2692308 -0.2692308 -0.0000000), wk = 0.0028169 k( 250) = ( 0.2564103 -0.2564103 0.0000000), wk = 0.0028169 k( 251) = ( 0.2435897 -0.2435897 -0.0000000), wk = 0.0028169 k( 252) = ( 0.2307692 -0.2307692 -0.0000000), wk = 0.0028169 k( 253) = ( 0.2179487 -0.2179487 -0.0000000), wk = 0.0028169 k( 254) = ( 0.2051282 -0.2051282 0.0000000), wk = 0.0028169 k( 255) = ( 0.1923077 -0.1923077 -0.0000000), wk = 0.0028169 k( 256) = ( 0.1794872 -0.1794872 -0.0000000), wk = 0.0028169 k( 257) = ( 0.1666667 -0.1666667 0.0000000), wk = 0.0028169 k( 258) = ( 0.1538461 -0.1538461 0.0000000), wk = 0.0028169 k( 259) = ( 0.1410256 -0.1410256 -0.0000000), wk = 0.0028169 k( 260) = ( 0.1282051 -0.1282051 0.0000000), wk = 0.0028169 k( 261) = ( 0.1153846 -0.1153846 -0.0000000), wk = 0.0028169 k( 262) = ( 0.1025641 -0.1025641 -0.0000000), wk = 0.0028169 k( 263) = ( 0.0897436 -0.0897436 -0.0000000), wk = 0.0028169 k( 264) = ( 0.0769231 -0.0769231 0.0000000), wk = 0.0028169 k( 265) = ( 0.0641026 -0.0641026 -0.0000000), wk = 0.0028169 k( 266) = ( 0.0512821 -0.0512821 -0.0000000), wk = 0.0028169 k( 267) = ( 0.0384615 -0.0384615 0.0000000), wk = 0.0028169 k( 268) = ( 0.0256410 -0.0256410 -0.0000000), wk = 0.0028169 k( 269) = ( 0.0128205 -0.0128205 -0.0000000), wk = 0.0028169 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 272) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0028169 k( 273) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0028169 k( 274) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0028169 k( 275) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0028169 k( 276) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028169 k( 277) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0028169 k( 278) = ( 0.1166667 0.0000000 -0.0000000), wk = 0.0028169 k( 279) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0028169 k( 280) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0028169 k( 281) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028169 k( 282) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0028169 k( 283) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0028169 k( 284) = ( 0.2166667 0.0000000 -0.0000000), wk = 0.0028169 k( 285) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0028169 k( 286) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028169 k( 287) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0028169 k( 288) = ( 0.2833333 0.0000000 -0.0000000), wk = 0.0028169 k( 289) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0028169 k( 290) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0028169 k( 291) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028169 k( 292) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0028169 k( 293) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0028169 k( 294) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0028169 k( 295) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0028169 k( 296) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028169 k( 297) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0028169 k( 298) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0028169 k( 299) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0028169 k( 300) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0028169 k( 301) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028169 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028169 k( 303) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028169 k( 304) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028169 k( 305) = ( 0.4716981 0.0000000 0.4716981), wk = 0.0028169 k( 306) = ( 0.4622641 0.0000000 0.4622641), wk = 0.0028169 k( 307) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028169 k( 308) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028169 k( 309) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0028169 k( 310) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028169 k( 311) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028169 k( 312) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028169 k( 313) = ( 0.3962264 0.0000000 0.3962264), wk = 0.0028169 k( 314) = ( 0.3867925 0.0000000 0.3867925), wk = 0.0028169 k( 315) = ( 0.3773585 0.0000000 0.3773585), wk = 0.0028169 k( 316) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028169 k( 317) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028169 k( 318) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028169 k( 319) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028169 k( 320) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028169 k( 321) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028169 k( 322) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028169 k( 323) = ( 0.3018868 0.0000000 0.3018868), wk = 0.0028169 k( 324) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028169 k( 325) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028169 k( 326) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028169 k( 327) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028169 k( 328) = ( 0.2547170 0.0000000 0.2547170), wk = 0.0028169 k( 329) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028169 k( 330) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028169 k( 331) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028169 k( 332) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0028169 k( 333) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028169 k( 334) = ( 0.1981132 0.0000000 0.1981132), wk = 0.0028169 k( 335) = ( 0.1886792 0.0000000 0.1886792), wk = 0.0028169 k( 336) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028169 k( 337) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028169 k( 338) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028169 k( 339) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028169 k( 340) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028169 k( 341) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028169 k( 342) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028169 k( 343) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028169 k( 344) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028169 k( 345) = ( 0.0943396 0.0000000 0.0943396), wk = 0.0028169 k( 346) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028169 k( 347) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028169 k( 348) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028169 k( 349) = ( 0.0566038 0.0000000 0.0566038), wk = 0.0028169 k( 350) = ( 0.0471698 0.0000000 0.0471698), wk = 0.0028169 k( 351) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028169 k( 352) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028169 k( 353) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028169 k( 354) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028169 k( 355) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 Dense grid: 86827 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 634, 44) NL pseudopotentials 0.46 Mb ( 317, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2412) G-vector shells 0.02 Mb ( 2329) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.70 Mb ( 634, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiH3O2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.7 secs Computing kpt #: 17 total cpu time spent up to now is 15.5 secs Computing kpt #: 18 total cpu time spent up to now is 16.3 secs Computing kpt #: 19 total cpu time spent up to now is 17.0 secs Computing kpt #: 20 total cpu time spent up to now is 17.8 secs Computing kpt #: 21 total cpu time spent up to now is 18.5 secs Computing kpt #: 22 total cpu time spent up to now is 19.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.0 secs Computing kpt #: 24 total cpu time spent up to now is 20.8 secs Computing kpt #: 25 total cpu time spent up to now is 21.6 secs Computing kpt #: 26 total cpu time spent up to now is 22.3 secs Computing kpt #: 27 total cpu time spent up to now is 23.1 secs Computing kpt #: 28 total cpu time spent up to now is 24.0 secs Computing kpt #: 29 total cpu time spent up to now is 24.7 secs Computing kpt #: 30 total cpu time spent up to now is 25.5 secs Computing kpt #: 31 total cpu time spent up to now is 26.4 secs Computing kpt #: 32 total cpu time spent up to now is 27.3 secs Computing kpt #: 33 total cpu time spent up to now is 28.0 secs Computing kpt #: 34 total cpu time spent up to now is 28.8 secs Computing kpt #: 35 total cpu time spent up to now is 29.6 secs Computing kpt #: 36 total cpu time spent up to now is 30.3 secs Computing kpt #: 37 total cpu time spent up to now is 31.1 secs Computing kpt #: 38 total cpu time spent up to now is 31.8 secs Computing kpt #: 39 total cpu time spent up to now is 32.6 secs Computing kpt #: 40 total cpu time spent up to now is 33.3 secs Computing kpt #: 41 total cpu time spent up to now is 34.1 secs Computing kpt #: 42 total cpu time spent up to now is 34.9 secs Computing kpt #: 43 total cpu time spent up to now is 35.6 secs Computing kpt #: 44 total cpu time spent up to now is 36.4 secs Computing kpt #: 45 total cpu time spent up to now is 37.1 secs Computing kpt #: 46 total cpu time spent up to now is 37.9 secs Computing kpt #: 47 total cpu time spent up to now is 38.6 secs Computing kpt #: 48 total cpu time spent up to now is 39.4 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.9 secs Computing kpt #: 51 total cpu time spent up to now is 41.6 secs Computing kpt #: 52 total cpu time spent up to now is 42.4 secs Computing kpt #: 53 total cpu time spent up to now is 43.1 secs Computing kpt #: 54 total cpu time spent up to now is 43.9 secs Computing kpt #: 55 total cpu time spent up to now is 44.6 secs Computing kpt #: 56 total cpu time spent up to now is 45.4 secs Computing kpt #: 57 total cpu time spent up to now is 46.1 secs Computing kpt #: 58 total cpu time spent up to now is 46.8 secs Computing kpt #: 59 total cpu time spent up to now is 47.6 secs Computing kpt #: 60 total cpu time spent up to now is 48.3 secs Computing kpt #: 61 total cpu time spent up to now is 49.1 secs Computing kpt #: 62 total cpu time spent up to now is 49.8 secs Computing kpt #: 63 total cpu time spent up to now is 50.6 secs Computing kpt #: 64 total cpu time spent up to now is 51.3 secs Computing kpt #: 65 total cpu time spent up to now is 52.1 secs Computing kpt #: 66 total cpu time spent up to now is 52.8 secs Computing kpt #: 67 total cpu time spent up to now is 53.6 secs Computing kpt #: 68 total cpu time spent up to now is 54.3 secs Computing kpt #: 69 total cpu time spent up to now is 55.0 secs Computing kpt #: 70 total cpu time spent up to now is 55.8 secs Computing kpt #: 71 total cpu time spent up to now is 56.5 secs Computing kpt #: 72 total cpu time spent up to now is 57.2 secs Computing kpt #: 73 total cpu time spent up to now is 58.0 secs Computing kpt #: 74 total cpu time spent up to now is 58.7 secs Computing kpt #: 75 total cpu time spent up to now is 59.5 secs Computing kpt #: 76 total cpu time spent up to now is 60.3 secs Computing kpt #: 77 total cpu time spent up to now is 61.0 secs Computing kpt #: 78 total cpu time spent up to now is 61.8 secs Computing kpt #: 79 total cpu time spent up to now is 62.5 secs Computing kpt #: 80 total cpu time spent up to now is 63.3 secs Computing kpt #: 81 total cpu time spent up to now is 64.0 secs Computing kpt #: 82 total cpu time spent up to now is 64.8 secs Computing kpt #: 83 total cpu time spent up to now is 65.5 secs Computing kpt #: 84 total cpu time spent up to now is 66.3 secs Computing kpt #: 85 total cpu time spent up to now is 67.0 secs Computing kpt #: 86 total cpu time spent up to now is 67.8 secs Computing kpt #: 87 total cpu time spent up to now is 68.5 secs Computing kpt #: 88 total cpu time spent up to now is 69.2 secs Computing kpt #: 89 total cpu time spent up to now is 70.0 secs Computing kpt #: 90 total cpu time spent up to now is 70.8 secs Computing kpt #: 91 total cpu time spent up to now is 71.5 secs Computing kpt #: 92 total cpu time spent up to now is 72.2 secs Computing kpt #: 93 total cpu time spent up to now is 72.9 secs Computing kpt #: 94 total cpu time spent up to now is 73.7 secs Computing kpt #: 95 total cpu time spent up to now is 74.4 secs Computing kpt #: 96 total cpu time spent up to now is 75.1 secs Computing kpt #: 97 total cpu time spent up to now is 75.8 secs Computing kpt #: 98 total cpu time spent up to now is 76.6 secs Computing kpt #: 99 total cpu time spent up to now is 77.3 secs Computing kpt #: 100 total cpu time spent up to now is 78.0 secs Computing kpt #: 101 total cpu time spent up to now is 78.8 secs Computing kpt #: 102 total cpu time spent up to now is 79.5 secs Computing kpt #: 103 total cpu time spent up to now is 80.2 secs Computing kpt #: 104 total cpu time spent up to now is 80.9 secs Computing kpt #: 105 total cpu time spent up to now is 81.7 secs Computing kpt #: 106 total cpu time spent up to now is 82.4 secs Computing kpt #: 107 total cpu time spent up to now is 83.1 secs Computing kpt #: 108 total cpu time spent up to now is 83.9 secs Computing kpt #: 109 total cpu time spent up to now is 84.6 secs Computing kpt #: 110 total cpu time spent up to now is 85.4 secs Computing kpt #: 111 total cpu time spent up to now is 86.2 secs Computing kpt #: 112 total cpu time spent up to now is 86.9 secs Computing kpt #: 113 total cpu time spent up to now is 87.7 secs Computing kpt 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spent up to now is 101.9 secs Computing kpt #: 130 total cpu time spent up to now is 102.8 secs Computing kpt #: 131 total cpu time spent up to now is 103.8 secs Computing kpt #: 132 total cpu time spent up to now is 104.7 secs Computing kpt #: 133 total cpu time spent up to now is 105.7 secs Computing kpt #: 134 total cpu time spent up to now is 106.8 secs Computing kpt #: 135 total cpu time spent up to now is 107.9 secs Computing kpt #: 136 total cpu time spent up to now is 108.8 secs Computing kpt #: 137 total cpu time spent up to now is 109.6 secs Computing kpt #: 138 total cpu time spent up to now is 110.5 secs Computing kpt #: 139 total cpu time spent up to now is 111.4 secs Computing kpt #: 140 total cpu time spent up to now is 112.3 secs Computing kpt #: 141 total cpu time spent up to now is 113.3 secs Computing kpt #: 142 total cpu time spent up to now is 114.2 secs Computing kpt #: 143 total cpu time spent up to now is 115.2 secs Computing kpt #: 144 total cpu time spent up to now is 116.1 secs Computing kpt #: 145 total cpu time spent up to now is 117.0 secs Computing kpt #: 146 total cpu time spent up to now is 117.9 secs Computing kpt #: 147 total cpu time spent up to now is 118.8 secs Computing kpt #: 148 total cpu time spent up to now is 119.6 secs Computing kpt #: 149 total cpu time spent up to now is 120.4 secs Computing kpt #: 150 total cpu time spent up to now is 121.2 secs Computing kpt #: 151 total cpu time spent up to now is 122.0 secs Computing kpt #: 152 total cpu time spent up to now is 122.7 secs Computing kpt #: 153 total cpu time spent up to now is 123.5 secs Computing kpt #: 154 total cpu time spent up to now is 124.3 secs Computing kpt #: 155 total cpu time spent up to now is 125.0 secs Computing kpt #: 156 total cpu time spent up to now is 125.8 secs Computing kpt #: 157 total cpu time spent up to now is 126.5 secs Computing kpt #: 158 total cpu time spent up to now is 127.3 secs Computing kpt #: 159 total cpu time spent up to now is 128.1 secs Computing kpt #: 160 total cpu time spent up to now is 128.8 secs Computing kpt #: 161 total cpu time spent up to now is 129.6 secs Computing kpt #: 162 total cpu time spent up to now is 130.3 secs Computing kpt #: 163 total cpu time spent up to now is 131.1 secs Computing kpt #: 164 total cpu time spent up to now is 131.9 secs Computing kpt #: 165 total cpu time spent up to now is 132.6 secs Computing kpt #: 166 total cpu time spent up to now is 133.4 secs Computing kpt #: 167 total cpu time spent up to now is 134.1 secs Computing kpt #: 168 total cpu time spent up to now is 134.9 secs Computing kpt #: 169 total cpu time spent up to now is 135.7 secs Computing kpt #: 170 total cpu time spent up to now is 136.4 secs Computing kpt #: 171 total cpu time spent up to now is 137.2 secs Computing kpt #: 172 total cpu time spent up to now is 137.9 secs Computing kpt #: 173 total cpu time spent up to now is 138.7 secs Computing kpt #: 174 total cpu time spent up to now is 139.4 secs Computing kpt #: 175 total cpu time spent up to now is 140.2 secs Computing kpt #: 176 total cpu time spent up to now is 140.9 secs Computing kpt #: 177 total cpu time spent up to now is 141.6 secs Computing kpt #: 178 total cpu time spent up to now is 142.4 secs Computing kpt #: 179 total cpu time spent up to now is 143.1 secs Computing kpt #: 180 total cpu time spent up to now is 143.9 secs Computing kpt #: 181 total cpu time spent up to now is 144.7 secs Computing kpt #: 182 total cpu time spent up to now is 145.4 secs Computing kpt #: 183 total cpu time spent up to now is 146.2 secs Computing kpt #: 184 total cpu time spent up to now is 147.0 secs Computing kpt #: 185 total cpu time spent up to now is 147.7 secs Computing kpt #: 186 total cpu time spent up to now is 148.5 secs Computing kpt #: 187 total cpu time spent up to now is 149.3 secs Computing kpt #: 188 total cpu time spent up to now is 150.0 secs Computing kpt #: 189 total cpu time spent up to now is 150.8 secs Computing kpt #: 190 total cpu time spent up to now is 151.5 secs Computing kpt #: 191 total cpu time spent up to now is 152.2 secs Computing kpt #: 192 total cpu time spent up to now is 153.0 secs Computing kpt #: 193 total cpu time spent up to now is 153.7 secs Computing kpt #: 194 total cpu time spent up to now is 154.4 secs Computing kpt #: 195 total cpu time spent up to now is 155.2 secs Computing kpt #: 196 total cpu time spent up to now is 155.9 secs Computing kpt #: 197 total cpu time spent up to now is 156.6 secs Computing kpt #: 198 total cpu time spent up to now is 157.4 secs Computing kpt #: 199 total cpu time spent up to now is 158.1 secs Computing kpt #: 200 total cpu time spent up to now is 158.8 secs Computing kpt #: 201 total cpu time spent up to now is 159.6 secs Computing kpt #: 202 total cpu time spent up to now is 160.3 secs Computing kpt #: 203 total cpu time spent up to now is 161.0 secs Computing kpt #: 204 total cpu time spent up to now is 161.8 secs Computing kpt #: 205 total cpu time spent up to now is 162.5 secs Computing kpt #: 206 total cpu time spent up to now is 163.3 secs Computing kpt #: 207 total cpu time spent up to now is 164.0 secs Computing kpt #: 208 total cpu time spent up to now is 164.8 secs Computing kpt #: 209 total cpu time spent up to now is 165.6 secs Computing kpt #: 210 total cpu time spent up to now is 166.3 secs Computing kpt #: 211 total cpu time spent up to now is 167.1 secs Computing kpt #: 212 total cpu time spent up to now is 167.8 secs Computing kpt #: 213 total cpu time spent up to now is 168.6 secs Computing kpt #: 214 total cpu time spent up to now is 169.4 secs Computing kpt #: 215 total cpu time spent up to now is 170.1 secs Computing kpt #: 216 total cpu time spent up to now is 170.9 secs Computing kpt #: 217 total cpu time spent up to now is 171.6 secs Computing kpt #: 218 total cpu time spent up to now is 172.4 secs Computing kpt #: 219 total cpu time spent up to now is 173.1 secs Computing kpt #: 220 total cpu time spent up to now is 173.9 secs Computing kpt #: 221 total cpu time spent up to now is 174.6 secs Computing kpt #: 222 total cpu time spent up to now is 176.1 secs Computing kpt #: 223 total cpu time spent up to now is 176.8 secs Computing kpt #: 224 total cpu time spent up to now is 177.6 secs Computing kpt #: 225 total cpu time spent up to now is 178.3 secs Computing kpt #: 226 total cpu time spent up to now is 179.0 secs Computing kpt #: 227 total cpu time spent up to now is 179.8 secs Computing kpt #: 228 total cpu time spent up to now is 180.5 secs Computing kpt #: 229 total cpu time spent up to now is 181.3 secs Computing kpt #: 230 total cpu time spent up to now is 182.0 secs Computing kpt #: 231 total cpu time spent up to now is 182.7 secs Computing kpt #: 232 total cpu time spent up to now is 183.4 secs Computing kpt #: 233 total cpu time spent up to now is 184.1 secs Computing kpt #: 234 total cpu time spent up to now is 184.8 secs Computing kpt #: 235 total cpu time spent up to now is 185.5 secs Computing kpt #: 236 total cpu time spent up to now is 186.2 secs Computing kpt #: 237 total cpu time spent up to now is 186.9 secs Computing kpt #: 238 total cpu time spent up to now is 187.6 secs Computing kpt #: 239 total cpu time spent up to now is 188.3 secs Computing kpt #: 240 total cpu time spent up to now is 189.0 secs Computing kpt #: 241 total cpu time spent up to now is 189.8 secs Computing kpt #: 242 total cpu time spent up to now is 190.5 secs Computing kpt #: 243 total cpu time spent up to now is 191.2 secs Computing kpt #: 244 total cpu time spent up to now is 191.9 secs Computing kpt #: 245 total cpu time spent up to now is 192.7 secs Computing kpt #: 246 total cpu time spent up to now is 193.4 secs Computing kpt #: 247 total cpu time spent up to now is 194.1 secs Computing kpt #: 248 total cpu time spent up to now is 194.9 secs Computing kpt #: 249 total cpu time spent up to now is 195.6 secs Computing kpt #: 250 total cpu time spent up to now is 196.4 secs Computing kpt #: 251 total cpu time spent up to now is 197.3 secs Computing kpt #: 252 total cpu time spent up to now is 198.1 secs Computing kpt #: 253 total cpu time spent up to now is 198.9 secs Computing kpt #: 254 total cpu time spent up to now is 199.9 secs Computing kpt #: 255 total cpu time spent up to now is 200.8 secs Computing kpt #: 256 total cpu time spent up to now is 201.7 secs Computing kpt #: 257 total cpu time spent up to now is 202.6 secs Computing kpt #: 258 total cpu time spent up to now is 203.4 secs Computing kpt #: 259 total cpu time spent up to now is 204.2 secs Computing kpt #: 260 total cpu time spent up to now is 205.1 secs Computing kpt #: 261 total cpu time spent up to now is 206.0 secs Computing kpt #: 262 total cpu time spent up to now is 206.9 secs Computing kpt #: 263 total cpu time spent up to now is 207.8 secs Computing kpt #: 264 total cpu time spent up to now is 208.8 secs Computing kpt #: 265 total cpu time spent up to now is 209.8 secs Computing kpt #: 266 total cpu time spent up to now is 210.8 secs Computing kpt #: 267 total cpu time spent up to now is 211.7 secs Computing kpt #: 268 total cpu time spent up to now is 212.7 secs Computing kpt #: 269 total cpu time spent up to now is 213.6 secs Computing kpt #: 270 total cpu time spent up to now is 214.5 secs Computing kpt #: 271 total cpu time spent up to now is 215.4 secs Computing kpt #: 272 total cpu time spent up to now is 216.2 secs Computing kpt #: 273 total cpu time spent up to now is 217.1 secs Computing kpt #: 274 total cpu time spent up to now is 218.0 secs Computing kpt #: 275 total cpu time spent up to now is 218.9 secs Computing kpt #: 276 total cpu time spent up to now is 219.7 secs Computing kpt #: 277 total cpu time spent up to now is 220.7 secs Computing kpt #: 278 total cpu time spent up to now is 221.7 secs Computing kpt #: 279 total cpu time spent up to now is 222.6 secs Computing kpt #: 280 total cpu time spent up to now is 223.5 secs Computing kpt #: 281 total cpu time spent up to now is 224.4 secs Computing kpt #: 282 total cpu time spent up to now is 225.3 secs Computing kpt #: 283 total cpu time spent up to now is 226.1 secs Computing kpt #: 284 total cpu time spent up to now is 227.0 secs Computing kpt #: 285 total cpu time spent up to now is 227.9 secs Computing kpt #: 286 total cpu time spent up to now is 228.8 secs Computing kpt #: 287 total cpu time spent up to now is 229.5 secs Computing kpt #: 288 total cpu time spent up to now is 230.3 secs Computing kpt #: 289 total cpu time spent up to now is 231.2 secs Computing kpt #: 290 total cpu time spent up to now is 232.0 secs Computing kpt #: 291 total cpu time spent up to now is 232.9 secs Computing kpt #: 292 total cpu time spent up to now is 233.7 secs Computing kpt #: 293 total cpu time spent up to now is 234.5 secs Computing kpt #: 294 total cpu time spent up to now is 235.4 secs Computing kpt #: 295 total cpu time spent up to now is 236.3 secs Computing kpt #: 296 total cpu time spent up to now is 237.0 secs Computing kpt #: 297 total cpu time spent up to now is 237.9 secs Computing kpt #: 298 total cpu time spent up to now is 238.8 secs Computing kpt #: 299 total cpu time spent up to now is 239.7 secs Computing kpt #: 300 total cpu time spent up to now is 240.6 secs Computing kpt #: 301 total cpu time spent up to now is 241.4 secs Computing kpt #: 302 total cpu time spent up to now is 242.2 secs Computing kpt #: 303 total cpu time spent up to now is 243.0 secs Computing kpt #: 304 total cpu time spent up to now is 243.8 secs Computing kpt #: 305 total cpu time spent up to now is 244.5 secs Computing kpt #: 306 total cpu time spent up to now is 245.3 secs Computing kpt #: 307 total cpu time spent up to now is 246.1 secs Computing kpt #: 308 total cpu time spent up to now is 246.9 secs Computing kpt #: 309 total cpu time spent up to now is 247.7 secs Computing kpt #: 310 total cpu time spent up to now is 248.5 secs Computing kpt #: 311 total cpu time spent up to now is 249.2 secs Computing kpt #: 312 total cpu time spent up to now is 250.0 secs Computing kpt #: 313 total cpu time spent up to now is 250.9 secs Computing kpt #: 314 total cpu time spent up to now is 251.8 secs Computing kpt #: 315 total cpu time spent up to now is 252.7 secs Computing kpt #: 316 total cpu time spent up to now is 253.6 secs Computing kpt #: 317 total cpu time spent up to now is 254.5 secs Computing kpt #: 318 total cpu time spent up to now is 255.4 secs Computing kpt #: 319 total cpu time spent up to now is 256.3 secs Computing kpt #: 320 total cpu time spent up to now is 257.2 secs Computing kpt #: 321 total cpu time spent up to now is 258.1 secs Computing kpt #: 322 total cpu time spent up to now is 259.0 secs Computing kpt #: 323 total cpu time spent up to now is 260.0 secs Computing kpt #: 324 total cpu time spent up to now is 260.9 secs Computing kpt #: 325 total cpu time spent up to now is 261.8 secs Computing kpt #: 326 total cpu time spent up to now is 262.7 secs Computing kpt #: 327 total cpu time spent up to now is 263.7 secs Computing kpt #: 328 total cpu time spent up to now is 264.6 secs Computing kpt #: 329 total cpu time spent up to now is 265.5 secs Computing kpt #: 330 total cpu time spent up to now is 266.4 secs Computing kpt #: 331 total cpu time spent up to now is 267.3 secs Computing kpt #: 332 total cpu time spent up to now is 268.2 secs Computing kpt #: 333 total cpu time spent up to now is 269.1 secs Computing kpt #: 334 total cpu time spent up to now is 270.0 secs Computing kpt #: 335 total cpu time spent up to now is 270.9 secs Computing kpt #: 336 total cpu time spent up to now is 271.8 secs Computing kpt #: 337 total cpu time spent up to now is 272.7 secs Computing kpt #: 338 total cpu time spent up to now is 273.6 secs Computing kpt #: 339 total cpu time spent up to now is 274.5 secs Computing kpt #: 340 total cpu time spent up to now is 275.4 secs Computing kpt #: 341 total cpu time spent up to now is 276.3 secs Computing kpt #: 342 total cpu time spent up to now is 277.2 secs Computing kpt #: 343 total cpu time spent up to now is 278.1 secs Computing kpt #: 344 total cpu time spent up to now is 279.0 secs Computing kpt #: 345 total cpu time spent up to now is 279.9 secs Computing kpt #: 346 total cpu time spent up to now is 280.8 secs Computing kpt #: 347 total cpu time spent up to now is 281.6 secs Computing kpt #: 348 total cpu time spent up to now is 282.4 secs Computing kpt #: 349 total cpu time spent up to now is 283.4 secs Computing kpt #: 350 total cpu time spent up to now is 284.3 secs Computing kpt #: 351 total cpu time spent up to now is 285.2 secs Computing kpt #: 352 total cpu time spent up to now is 286.1 secs Computing kpt #: 353 total cpu time spent up to now is 286.9 secs Computing kpt #: 354 total cpu time spent up to now is 287.6 secs Computing kpt #: 355 total cpu time spent up to now is 288.4 secs ethr = 2.78E-08, avg # of iterations = 20.2 total cpu time spent up to now is 288.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5712 -18.5712 -18.1083 -18.1083 -16.9359 -16.9359 -16.7180 -16.7180 -5.8014 -5.8014 -5.5488 -5.5488 -4.7860 -4.7860 -3.8268 -3.8268 -3.4856 -3.4856 -3.2051 -3.2051 -1.2342 -1.2342 -1.0898 -1.0898 -0.3358 -0.3358 0.0211 0.0211 0.3417 0.3417 0.3812 0.3812 4.2644 4.2644 6.8155 6.8155 9.5115 9.5116 10.1670 10.1670 k = 0.0110 0.0123-0.0058 ( 10869 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5711 -18.5711 -18.1083 -18.1083 -16.9363 -16.9363 -16.7178 -16.7178 -5.8007 -5.8007 -5.5493 -5.5493 -4.7856 -4.7856 -3.8264 -3.8264 -3.4856 -3.4856 -3.2053 -3.2053 -1.2341 -1.2341 -1.0900 -1.0900 -0.3352 -0.3352 0.0199 0.0199 0.3402 0.3402 0.3809 0.3809 4.2671 4.2671 6.8143 6.8143 9.5127 9.5127 10.1346 10.1346 k = 0.0219 0.0246-0.0116 ( 10862 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5707 -18.5707 -18.1085 -18.1085 -16.9373 -16.9373 -16.7171 -16.7171 -5.7987 -5.7987 -5.5507 -5.5507 -4.7843 -4.7843 -3.8254 -3.8254 -3.4854 -3.4854 -3.2060 -3.2060 -1.2336 -1.2336 -1.0908 -1.0908 -0.3334 -0.3334 0.0167 0.0167 0.3357 0.3357 0.3803 0.3803 4.2751 4.2751 6.8108 6.8108 9.5161 9.5161 10.0654 10.0654 k = 0.0329 0.0369-0.0174 ( 10850 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5700 -18.5700 -18.1089 -18.1089 -16.9389 -16.9389 -16.7161 -16.7161 -5.7954 -5.7954 -5.5531 -5.5531 -4.7821 -4.7821 -3.8237 -3.8237 -3.4851 -3.4851 -3.2071 -3.2071 -1.2327 -1.2327 -1.0920 -1.0920 -0.3305 -0.3305 0.0112 0.0112 0.3283 0.3283 0.3791 0.3791 4.2884 4.2884 6.8050 6.8050 9.5217 9.5217 9.9851 9.9851 k = 0.0439 0.0492-0.0232 ( 10850 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5690 -18.5690 -18.1094 -18.1094 -16.9412 -16.9412 -16.7148 -16.7148 -5.7908 -5.7908 -5.5564 -5.5564 -4.7790 -4.7790 -3.8213 -3.8213 -3.4847 -3.4847 -3.2087 -3.2087 -1.2315 -1.2315 -1.0937 -1.0937 -0.3265 -0.3265 0.0037 0.0037 0.3181 0.3181 0.3775 0.3775 4.3067 4.3067 6.7970 6.7970 9.5292 9.5292 9.9014 9.9014 k = 0.0548 0.0614-0.0290 ( 10861 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5677 -18.5677 -18.1100 -18.1100 -16.9440 -16.9440 -16.7131 -16.7131 -5.7849 -5.7849 -5.5605 -5.5605 -4.7751 -4.7751 -3.8182 -3.8182 -3.4842 -3.4842 -3.2107 -3.2107 -1.2300 -1.2300 -1.0957 -1.0957 -0.3215 -0.3215 -0.0059 -0.0059 0.3052 0.3052 0.3752 0.3752 4.3301 4.3301 6.7871 6.7871 9.5383 9.5383 9.8170 9.8170 k = 0.0658 0.0737-0.0347 ( 10852 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5662 -18.5662 -18.1108 -18.1108 -16.9473 -16.9473 -16.7113 -16.7113 -5.7777 -5.7777 -5.5656 -5.5656 -4.7705 -4.7705 -3.8145 -3.8145 -3.4836 -3.4836 -3.2130 -3.2130 -1.2282 -1.2282 -1.0982 -1.0982 -0.3156 -0.3156 -0.0173 -0.0173 0.2899 0.2899 0.3723 0.3723 4.3582 4.3582 6.7754 6.7754 9.5486 9.5486 9.7327 9.7327 k = 0.0768 0.0860-0.0405 ( 10852 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5644 -18.5644 -18.1117 -18.1117 -16.9509 -16.9509 -16.7092 -16.7092 -5.7693 -5.7693 -5.5714 -5.5714 -4.7650 -4.7650 -3.8101 -3.8101 -3.4830 -3.4830 -3.2157 -3.2157 -1.2260 -1.2260 -1.1009 -1.1009 -0.3091 -0.3091 -0.0305 -0.0305 0.2724 0.2724 0.3687 0.3687 4.3909 4.3909 6.7621 6.7621 9.5597 9.5597 9.6491 9.6491 k = 0.0877 0.0983-0.0463 ( 10854 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5624 -18.5624 -18.1127 -18.1127 -16.9549 -16.9549 -16.7071 -16.7071 -5.7596 -5.7596 -5.5780 -5.5780 -4.7589 -4.7589 -3.8051 -3.8051 -3.4822 -3.4822 -3.2186 -3.2186 -1.2234 -1.2234 -1.1039 -1.1039 -0.3020 -0.3020 -0.0454 -0.0454 0.2529 0.2529 0.3644 0.3644 4.4278 4.4278 6.7475 6.7475 9.5662 9.5662 9.5714 9.5714 k = 0.0987 0.1106-0.0521 ( 10844 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5601 -18.5601 -18.1139 -18.1139 -16.9592 -16.9592 -16.7049 -16.7049 -5.7488 -5.7488 -5.5853 -5.5853 -4.7521 -4.7521 -3.7995 -3.7995 -3.4814 -3.4814 -3.2218 -3.2218 -1.2206 -1.2206 -1.1071 -1.1071 -0.2947 -0.2947 -0.0618 -0.0618 0.2317 0.2317 0.3592 0.3592 4.4687 4.4687 6.7319 6.7319 9.4849 9.4849 9.5825 9.5825 k = 0.1096 0.1229-0.0579 ( 10851 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5576 -18.5576 -18.1152 -18.1152 -16.9636 -16.9636 -16.7028 -16.7028 -5.7368 -5.7368 -5.5933 -5.5933 -4.7448 -4.7448 -3.7933 -3.7933 -3.4805 -3.4805 -3.2252 -3.2252 -1.2174 -1.2174 -1.1104 -1.1104 -0.2872 -0.2872 -0.0797 -0.0797 0.2092 0.2092 0.3532 0.3532 4.5133 4.5133 6.7155 6.7155 9.4046 9.4046 9.5932 9.5932 k = 0.1206 0.1352-0.0637 ( 10849 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5549 -18.5549 -18.1165 -18.1165 -16.9681 -16.9681 -16.7008 -16.7008 -5.7238 -5.7238 -5.6019 -5.6019 -4.7369 -4.7369 -3.7866 -3.7866 -3.4796 -3.4796 -3.2287 -3.2287 -1.2138 -1.2138 -1.1138 -1.1138 -0.2799 -0.2799 -0.0988 -0.0988 0.1857 0.1857 0.3462 0.3462 4.5612 4.5612 6.6986 6.6986 9.3257 9.3257 9.6030 9.6030 k = 0.1316 0.1475-0.0695 ( 10850 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5520 -18.5520 -18.1180 -18.1180 -16.9727 -16.9727 -16.6989 -16.6989 -5.7097 -5.7097 -5.6110 -5.6110 -4.7285 -4.7285 -3.7793 -3.7793 -3.4786 -3.4786 -3.2322 -3.2322 -1.2099 -1.2099 -1.1172 -1.1172 -0.2730 -0.2730 -0.1190 -0.1190 0.1615 0.1615 0.3383 0.3383 4.6120 4.6120 6.6816 6.6816 9.2481 9.2481 9.6115 9.6115 k = 0.1425 0.1597-0.0753 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5490 -18.5490 -18.1196 -18.1196 -16.9772 -16.9772 -16.6972 -16.6972 -5.6946 -5.6946 -5.6206 -5.6206 -4.7197 -4.7197 -3.7715 -3.7715 -3.4777 -3.4777 -3.2357 -3.2357 -1.2057 -1.2057 -1.1206 -1.1206 -0.2670 -0.2670 -0.1403 -0.1403 0.1371 0.1371 0.3294 0.3294 4.6655 4.6655 6.6648 6.6648 9.1720 9.1720 9.6183 9.6183 k = 0.1535 0.1720-0.0811 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5457 -18.5457 -18.1213 -18.1213 -16.9816 -16.9816 -16.6958 -16.6958 -5.6786 -5.6786 -5.6306 -5.6306 -4.7107 -4.7107 -3.7632 -3.7632 -3.4769 -3.4769 -3.2390 -3.2390 -1.2011 -1.2011 -1.1238 -1.1238 -0.2621 -0.2621 -0.1624 -0.1624 0.1129 0.1129 0.3195 0.3195 4.7212 4.7212 6.6484 6.6484 9.0975 9.0975 9.6233 9.6233 k = 0.1645 0.1843-0.0869 ( 10853 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5423 -18.5423 -18.1230 -18.1230 -16.9859 -16.9859 -16.6947 -16.6947 -5.6617 -5.6617 -5.6409 -5.6409 -4.7013 -4.7013 -3.7545 -3.7545 -3.4762 -3.4762 -3.2421 -3.2421 -1.1962 -1.1962 -1.1269 -1.1269 -0.2589 -0.2589 -0.1851 -0.1851 0.0894 0.0894 0.3085 0.3085 4.7787 4.7787 6.6328 6.6328 9.0246 9.0246 9.6263 9.6263 k = 0.1754 0.1966-0.0927 ( 10860 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5388 -18.5388 -18.1248 -18.1248 -16.9900 -16.9900 -16.6939 -16.6939 -5.6516 -5.6516 -5.6440 -5.6440 -4.6918 -4.6918 -3.7454 -3.7454 -3.4756 -3.4756 -3.2450 -3.2450 -1.1909 -1.1909 -1.1297 -1.1297 -0.2578 -0.2578 -0.2084 -0.2084 0.0672 0.0672 0.2966 0.2966 4.8377 4.8377 6.6184 6.6184 8.9533 8.9533 9.6274 9.6274 k = 0.1864 0.2089-0.0985 ( 10858 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5352 -18.5352 -18.1267 -18.1267 -16.9939 -16.9939 -16.6935 -16.6935 -5.6624 -5.6624 -5.6256 -5.6256 -4.6822 -4.6822 -3.7359 -3.7359 -3.4751 -3.4751 -3.2474 -3.2474 -1.1853 -1.1853 -1.1322 -1.1322 -0.2598 -0.2598 -0.2316 -0.2316 0.0467 0.0467 0.2836 0.2836 4.8976 4.8976 6.6054 6.6054 8.8837 8.8837 9.6265 9.6265 k = 0.1974 0.2212-0.1042 ( 10862 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5314 -18.5314 -18.1287 -18.1287 -16.9974 -16.9974 -16.6934 -16.6934 -5.6733 -5.6733 -5.6066 -5.6066 -4.6726 -4.6726 -3.7260 -3.7260 -3.4750 -3.4750 -3.2494 -3.2494 -1.1793 -1.1793 -1.1344 -1.1344 -0.2673 -0.2673 -0.2526 -0.2526 0.0284 0.0284 0.2696 0.2696 4.9582 4.9582 6.5941 6.5941 8.8159 8.8159 9.6238 9.6238 k = 0.2083 0.2335-0.1100 ( 10853 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5277 -18.5277 -18.1306 -18.1306 -17.0007 -17.0007 -16.6938 -16.6938 -5.6843 -5.6843 -5.5869 -5.5869 -4.6631 -4.6631 -3.7160 -3.7160 -3.4751 -3.4751 -3.2508 -3.2508 -1.1729 -1.1729 -1.1362 -1.1362 -0.2860 -0.2860 -0.2659 -0.2659 0.0127 0.0127 0.2546 0.2546 5.0189 5.0189 6.5850 6.5850 8.7499 8.7499 9.6192 9.6192 k = 0.2193 0.2458-0.1158 ( 10852 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5238 -18.5238 -18.1327 -18.1327 -17.0036 -17.0036 -16.6945 -16.6945 -5.6953 -5.6953 -5.5668 -5.5668 -4.6537 -4.6537 -3.7056 -3.7056 -3.4755 -3.4755 -3.2516 -3.2516 -1.1662 -1.1662 -1.1374 -1.1374 -0.3096 -0.3096 -0.2778 -0.2778 -0.0002 -0.0002 0.2387 0.2387 5.0793 5.0793 6.5783 6.5783 8.6857 8.6857 9.6131 9.6131 k = 0.2303 0.2581-0.1216 ( 10845 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5199 -18.5199 -18.1347 -18.1347 -17.0061 -17.0061 -16.6957 -16.6957 -5.7063 -5.7063 -5.5462 -5.5462 -4.6444 -4.6444 -3.6951 -3.6951 -3.4763 -3.4763 -3.2518 -3.2518 -1.1591 -1.1591 -1.1382 -1.1382 -0.3342 -0.3342 -0.2919 -0.2919 -0.0105 -0.0105 0.2218 0.2218 5.1389 5.1389 6.5745 6.5745 8.6235 8.6235 9.6055 9.6055 k = 0.2412 0.2703-0.1274 ( 10844 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5160 -18.5160 -18.1368 -18.1368 -17.0081 -17.0081 -16.6974 -16.6974 -5.7172 -5.7172 -5.5253 -5.5253 -4.6355 -4.6355 -3.6845 -3.6845 -3.4774 -3.4774 -3.2512 -3.2512 -1.1516 -1.1516 -1.1383 -1.1383 -0.3590 -0.3590 -0.3087 -0.3087 -0.0185 -0.0185 0.2041 0.2041 5.1971 5.1971 6.5738 6.5738 8.5632 8.5632 9.5967 9.5967 k = 0.2522 0.2826-0.1332 ( 10842 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5122 -18.5122 -18.1388 -18.1388 -17.0098 -17.0098 -16.6995 -16.6995 -5.7279 -5.7279 -5.5042 -5.5042 -4.6268 -4.6268 -3.6738 -3.6738 -3.4789 -3.4789 -3.2498 -3.2498 -1.1437 -1.1437 -1.1378 -1.1378 -0.3838 -0.3838 -0.3277 -0.3277 -0.0246 -0.0246 0.1855 0.1855 5.2535 5.2535 6.5766 6.5766 8.5050 8.5050 9.5868 9.5868 k = 0.2631 0.2949-0.1390 ( 10844 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5083 -18.5083 -18.1409 -18.1409 -17.0110 -17.0110 -16.7020 -16.7020 -5.7384 -5.7384 -5.4830 -5.4830 -4.6186 -4.6186 -3.6631 -3.6631 -3.4807 -3.4807 -3.2478 -3.2478 -1.1371 -1.1371 -1.1349 -1.1349 -0.4083 -0.4083 -0.3485 -0.3485 -0.0294 -0.0294 0.1662 0.1662 5.3076 5.3076 6.5833 6.5833 8.4488 8.4488 9.5759 9.5759 k = 0.2741 0.3072-0.1448 ( 10848 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5045 -18.5045 -18.1429 -18.1429 -17.0117 -17.0117 -16.7050 -16.7050 -5.7486 -5.7486 -5.4617 -5.4617 -4.6108 -4.6108 -3.6524 -3.6524 -3.4829 -3.4829 -3.2450 -3.2450 -1.1349 -1.1349 -1.1266 -1.1266 -0.4326 -0.4326 -0.3705 -0.3705 -0.0333 -0.0333 0.1462 0.1462 5.3589 5.3589 6.5941 6.5941 8.3948 8.3948 9.5644 9.5644 k = 0.2851 0.3195-0.1506 ( 10851 PWs) bands (ev): -41.7543 -41.7543 -41.7275 -41.7275 -18.5007 -18.5007 -18.1449 -18.1449 -17.0120 -17.0120 -16.7084 -16.7084 -5.7585 -5.7585 -5.4404 -5.4404 -4.6034 -4.6034 -3.6418 -3.6418 -3.4853 -3.4853 -3.2416 -3.2416 -1.1322 -1.1322 -1.1175 -1.1175 -0.4564 -0.4564 -0.3935 -0.3935 -0.0366 -0.0366 0.1256 0.1256 5.4070 5.4070 6.6092 6.6092 8.3429 8.3429 9.5522 9.5522 k = 0.2960 0.3318-0.1564 ( 10851 PWs) bands (ev): -41.7543 -41.7543 -41.7275 -41.7275 -18.4971 -18.4971 -18.1469 -18.1469 -17.0117 -17.0117 -16.7122 -16.7122 -5.7681 -5.7681 -5.4194 -5.4194 -4.5965 -4.5965 -3.6314 -3.6314 -3.4880 -3.4880 -3.2376 -3.2376 -1.1286 -1.1286 -1.1080 -1.1080 -0.4797 -0.4797 -0.4170 -0.4170 -0.0397 -0.0397 0.1045 0.1045 5.4515 5.4515 6.6287 6.6287 8.2933 8.2933 9.5397 9.5397 k = 0.3070 0.3441-0.1622 ( 10849 PWs) bands (ev): -41.7543 -41.7543 -41.7275 -41.7275 -18.4935 -18.4935 -18.1489 -18.1489 -17.0110 -17.0110 -16.7164 -16.7164 -5.7773 -5.7773 -5.3985 -5.3985 -4.5901 -4.5901 -3.6212 -3.6212 -3.4909 -3.4909 -3.2330 -3.2330 -1.1242 -1.1242 -1.0981 -1.0981 -0.5025 -0.5025 -0.4408 -0.4408 -0.0429 -0.0429 0.0830 0.0830 5.4922 5.4922 6.6527 6.6527 8.2459 8.2459 9.5269 9.5269 k = 0.3180 0.3564-0.1680 ( 10839 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4901 -18.4901 -18.1508 -18.1508 -17.0099 -17.0099 -16.7210 -16.7210 -5.7861 -5.7861 -5.3781 -5.3781 -4.5843 -4.5843 -3.6112 -3.6112 -3.4940 -3.4940 -3.2280 -3.2280 -1.1189 -1.1189 -1.0878 -1.0878 -0.5246 -0.5246 -0.4647 -0.4647 -0.0462 -0.0462 0.0611 0.0611 5.5289 5.5289 6.6810 6.6810 8.2008 8.2008 9.5141 9.5141 k = 0.3289 0.3687-0.1737 ( 10837 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4867 -18.4867 -18.1526 -18.1526 -17.0083 -17.0083 -16.7259 -16.7259 -5.7944 -5.7944 -5.3581 -5.3581 -4.5789 -4.5789 -3.6015 -3.6015 -3.4971 -3.4971 -3.2227 -3.2227 -1.1127 -1.1127 -1.0771 -1.0771 -0.5461 -0.5461 -0.4886 -0.4886 -0.0497 -0.0497 0.0390 0.0390 5.5616 5.5616 6.7134 6.7134 8.1581 8.1581 9.5012 9.5012 k = 0.3399 0.3809-0.1795 ( 10835 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4835 -18.4835 -18.1544 -18.1544 -17.0062 -17.0062 -16.7311 -16.7311 -5.8023 -5.8023 -5.3387 -5.3387 -4.5741 -4.5741 -3.5922 -3.5922 -3.5002 -3.5002 -3.2171 -3.2171 -1.1055 -1.1055 -1.0660 -1.0660 -0.5668 -0.5668 -0.5123 -0.5123 -0.0536 -0.0536 0.0169 0.0169 5.5904 5.5904 6.7494 6.7494 8.1178 8.1178 9.4886 9.4886 k = 0.3509 0.3932-0.1853 ( 10823 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4805 -18.4805 -18.1561 -18.1561 -17.0038 -17.0038 -16.7366 -16.7366 -5.8097 -5.8097 -5.3200 -5.3200 -4.5698 -4.5698 -3.5833 -3.5833 -3.5033 -3.5033 -3.2114 -3.2114 -1.0974 -1.0974 -1.0546 -1.0546 -0.5867 -0.5867 -0.5357 -0.5357 -0.0578 -0.0578 -0.0051 -0.0051 5.6155 5.6155 6.7884 6.7884 8.0800 8.0800 9.4762 9.4762 k = 0.3618 0.4055-0.1911 ( 10820 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4777 -18.4777 -18.1577 -18.1577 -17.0009 -17.0009 -16.7423 -16.7423 -5.8167 -5.8167 -5.3020 -5.3020 -4.5660 -4.5660 -3.5748 -3.5748 -3.5064 -3.5064 -3.2056 -3.2056 -1.0883 -1.0883 -1.0428 -1.0428 -0.6058 -0.6058 -0.5589 -0.5589 -0.0623 -0.0623 -0.0268 -0.0268 5.6372 5.6372 6.8297 6.8297 8.0446 8.0446 9.4643 9.4643 k = 0.3728 0.4178-0.1969 ( 10832 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4750 -18.4750 -18.1592 -18.1592 -16.9978 -16.9978 -16.7482 -16.7482 -5.8231 -5.8231 -5.2850 -5.2850 -4.5627 -4.5627 -3.5669 -3.5669 -3.5093 -3.5093 -3.1999 -3.1999 -1.0784 -1.0784 -1.0307 -1.0307 -0.6241 -0.6241 -0.5817 -0.5817 -0.0673 -0.0673 -0.0478 -0.0478 5.6558 5.6558 6.8727 6.8727 8.0118 8.0118 9.4529 9.4529 k = 0.3838 0.4301-0.2027 ( 10834 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4725 -18.4725 -18.1607 -18.1607 -16.9943 -16.9943 -16.7542 -16.7542 -5.8290 -5.8290 -5.2689 -5.2689 -4.5598 -4.5598 -3.5595 -3.5595 -3.5121 -3.5121 -3.1943 -3.1943 -1.0676 -1.0676 -1.0184 -1.0184 -0.6416 -0.6416 -0.6042 -0.6042 -0.0744 -0.0744 -0.0664 -0.0664 5.6716 5.6716 6.9166 6.9166 7.9815 7.9815 9.4422 9.4422 k = 0.3947 0.4424-0.2085 ( 10820 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4701 -18.4701 -18.1620 -18.1620 -16.9906 -16.9906 -16.7602 -16.7602 -5.8343 -5.8343 -5.2539 -5.2539 -4.5572 -4.5572 -3.5526 -3.5526 -3.5147 -3.5147 -3.1889 -3.1889 -1.0560 -1.0560 -1.0059 -1.0059 -0.6582 -0.6582 -0.6262 -0.6262 -0.0907 -0.0907 -0.0751 -0.0751 5.6849 5.6849 6.9604 6.9604 7.9538 7.9538 9.4323 9.4323 k = 0.4057 0.4547-0.2143 ( 10832 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4680 -18.4680 -18.1632 -18.1632 -16.9868 -16.9868 -16.7662 -16.7662 -5.8392 -5.8392 -5.2400 -5.2400 -4.5551 -4.5551 -3.5463 -3.5463 -3.5171 -3.5171 -3.1838 -3.1838 -1.0437 -1.0437 -0.9933 -0.9933 -0.6741 -0.6741 -0.6477 -0.6477 -0.1094 -0.1094 -0.0804 -0.0804 5.6960 5.6960 7.0034 7.0034 7.9288 7.9288 9.4233 9.4233 k = 0.4166 0.4670-0.2201 ( 10836 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4661 -18.4661 -18.1643 -18.1643 -16.9829 -16.9829 -16.7720 -16.7720 -5.8435 -5.8435 -5.2274 -5.2274 -4.5532 -4.5532 -3.5406 -3.5406 -3.5193 -3.5193 -3.1790 -3.1790 -1.0308 -1.0308 -0.9806 -0.9806 -0.6892 -0.6892 -0.6685 -0.6685 -0.1272 -0.1272 -0.0853 -0.0853 5.7053 5.7053 7.0447 7.0447 7.9064 7.9064 9.4154 9.4154 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4644 -18.4644 -18.1653 -18.1653 -16.9790 -16.9790 -16.7776 -16.7776 -5.8472 -5.8472 -5.2162 -5.2162 -4.5516 -4.5516 -3.5356 -3.5356 -3.5212 -3.5212 -3.1747 -3.1747 -1.0174 -1.0174 -0.9681 -0.9681 -0.7037 -0.7037 -0.6885 -0.6885 -0.1437 -0.1437 -0.0899 -0.0899 5.7129 5.7129 7.0835 7.0835 7.8867 7.8867 9.4086 9.4086 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4644 -18.4644 -18.1653 -18.1653 -16.9790 -16.9790 -16.7776 -16.7776 -5.8472 -5.8472 -5.2162 -5.2162 -4.5516 -4.5516 -3.5356 -3.5356 -3.5212 -3.5212 -3.1747 -3.1747 -1.0174 -1.0174 -0.9681 -0.9681 -0.7037 -0.7037 -0.6885 -0.6885 -0.1437 -0.1437 -0.0899 -0.0899 5.7129 5.7129 7.0835 7.0835 7.8867 7.8867 9.4086 9.4086 k = 0.4316 0.4837-0.2096 ( 10840 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4642 -18.4642 -18.1651 -18.1651 -16.9787 -16.9787 -16.7764 -16.7764 -5.8495 -5.8495 -5.2146 -5.2146 -4.5560 -4.5560 -3.5361 -3.5361 -3.5245 -3.5245 -3.1768 -3.1768 -1.0205 -1.0205 -0.9872 -0.9872 -0.6919 -0.6919 -0.6801 -0.6801 -0.1390 -0.1390 -0.0864 -0.0864 5.7223 5.7223 7.0928 7.0928 7.8829 7.8829 9.3842 9.3842 k = 0.4356 0.4882-0.1934 ( 10840 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4636 -18.4636 -18.1646 -18.1646 -16.9779 -16.9779 -16.7748 -16.7748 -5.8525 -5.8525 -5.2131 -5.2131 -4.5613 -4.5613 -3.5367 -3.5367 -3.5297 -3.5297 -3.1807 -3.1807 -1.0255 -1.0255 -1.0080 -1.0080 -0.6831 -0.6831 -0.6694 -0.6694 -0.1338 -0.1338 -0.0829 -0.0829 5.7359 5.7359 7.1062 7.1062 7.8805 7.8805 9.3605 9.3605 k = 0.4396 0.4927-0.1771 ( 10846 PWs) bands (ev): -41.7541 -41.7541 -41.7276 -41.7276 -18.4627 -18.4627 -18.1640 -18.1640 -16.9766 -16.9766 -16.7729 -16.7729 -5.8564 -5.8564 -5.2115 -5.2115 -4.5674 -4.5674 -3.5381 -3.5381 -3.5363 -3.5363 -3.1865 -3.1865 -1.0330 -1.0330 -1.0298 -1.0298 -0.6775 -0.6775 -0.6563 -0.6563 -0.1281 -0.1281 -0.0795 -0.0795 5.7535 5.7535 7.1236 7.1236 7.8795 7.8795 9.3373 9.3373 k = 0.4436 0.4972-0.1608 ( 10854 PWs) bands (ev): -41.7541 -41.7541 -41.7275 -41.7275 -18.4614 -18.4614 -18.1630 -18.1630 -16.9747 -16.9747 -16.7706 -16.7706 -5.8611 -5.8611 -5.2098 -5.2098 -4.5745 -4.5745 -3.5462 -3.5462 -3.5381 -3.5381 -3.1939 -3.1939 -1.0541 -1.0541 -1.0410 -1.0410 -0.6737 -0.6737 -0.6424 -0.6424 -0.1220 -0.1220 -0.0761 -0.0761 5.7751 5.7751 7.1449 7.1449 7.8798 7.8798 9.3149 9.3149 k = 0.4476 0.5017-0.1446 ( 10854 PWs) bands (ev): -41.7540 -41.7540 -41.7275 -41.7275 -18.4597 -18.4597 -18.1619 -18.1619 -16.9723 -16.9723 -16.7679 -16.7679 -5.8666 -5.8666 -5.2081 -5.2081 -4.5825 -4.5825 -3.5569 -3.5569 -3.5391 -3.5391 -3.2029 -3.2029 -1.0788 -1.0788 -1.0519 -1.0519 -0.6710 -0.6710 -0.6282 -0.6282 -0.1154 -0.1154 -0.0729 -0.0729 5.8003 5.8003 7.1700 7.1700 7.8813 7.8813 9.2932 9.2932 k = 0.4516 0.5062-0.1283 ( 10850 PWs) bands (ev): -41.7540 -41.7540 -41.7274 -41.7274 -18.4577 -18.4577 -18.1605 -18.1605 -16.9694 -16.9694 -16.7648 -16.7648 -5.8729 -5.8729 -5.2064 -5.2064 -4.5915 -4.5915 -3.5694 -3.5694 -3.5401 -3.5401 -3.2135 -3.2135 -1.1047 -1.1047 -1.0645 -1.0645 -0.6692 -0.6692 -0.6138 -0.6138 -0.1084 -0.1084 -0.0696 -0.0696 5.8290 5.8290 7.1988 7.1988 7.8839 7.8839 9.2722 9.2722 k = 0.4556 0.5107-0.1121 ( 10854 PWs) bands (ev): -41.7539 -41.7539 -41.7273 -41.7273 -18.4554 -18.4554 -18.1588 -18.1588 -16.9661 -16.9661 -16.7614 -16.7614 -5.8801 -5.8801 -5.2047 -5.2047 -4.6016 -4.6016 -3.5835 -3.5835 -3.5413 -3.5413 -3.2254 -3.2254 -1.1316 -1.1316 -1.0790 -1.0790 -0.6680 -0.6680 -0.5995 -0.5995 -0.1010 -0.1010 -0.0664 -0.0664 5.8610 5.8610 7.2311 7.2311 7.8874 7.8874 9.2521 9.2521 k = 0.4596 0.5152-0.0958 ( 10853 PWs) bands (ev): -41.7538 -41.7538 -41.7272 -41.7272 -18.4528 -18.4528 -18.1570 -18.1570 -16.9622 -16.9622 -16.7577 -16.7577 -5.8882 -5.8882 -5.2029 -5.2029 -4.6127 -4.6127 -3.5990 -3.5990 -3.5426 -3.5426 -3.2385 -3.2385 -1.1594 -1.1594 -1.0954 -1.0954 -0.6674 -0.6674 -0.5851 -0.5851 -0.0932 -0.0932 -0.0631 -0.0631 5.8960 5.8960 7.2666 7.2666 7.8919 7.8919 9.2329 9.2329 k = 0.4636 0.5196-0.0795 ( 10853 PWs) bands (ev): -41.7537 -41.7537 -41.7271 -41.7271 -18.4499 -18.4499 -18.1549 -18.1549 -16.9579 -16.9579 -16.7536 -16.7536 -5.8971 -5.8971 -5.2012 -5.2012 -4.6249 -4.6249 -3.6159 -3.6159 -3.5439 -3.5439 -3.2528 -3.2528 -1.1882 -1.1882 -1.1135 -1.1135 -0.6670 -0.6670 -0.5708 -0.5708 -0.0851 -0.0851 -0.0598 -0.0598 5.9336 5.9336 7.3051 7.3051 7.8970 7.8970 9.2147 9.2147 k = 0.4677 0.5241-0.0633 ( 10849 PWs) bands (ev): -41.7536 -41.7536 -41.7270 -41.7270 -18.4467 -18.4467 -18.1527 -18.1527 -16.9531 -16.9531 -16.7491 -16.7491 -5.9069 -5.9069 -5.1994 -5.1994 -4.6383 -4.6383 -3.6339 -3.6339 -3.5454 -3.5454 -3.2680 -3.2680 -1.2179 -1.2179 -1.1334 -1.1334 -0.6669 -0.6669 -0.5563 -0.5563 -0.0766 -0.0766 -0.0564 -0.0564 5.9736 5.9736 7.3463 7.3463 7.9027 7.9027 9.1976 9.1976 k = 0.4717 0.5286-0.0470 ( 10851 PWs) bands (ev): -41.7534 -41.7534 -41.7269 -41.7269 -18.4432 -18.4432 -18.1502 -18.1502 -16.9480 -16.9480 -16.7444 -16.7444 -5.9176 -5.9176 -5.1977 -5.1977 -4.6529 -4.6529 -3.6530 -3.6530 -3.5470 -3.5470 -3.2840 -3.2840 -1.2483 -1.2483 -1.1549 -1.1549 -0.6669 -0.6669 -0.5419 -0.5419 -0.0679 -0.0679 -0.0528 -0.0528 6.0156 6.0156 7.3900 7.3900 7.9089 7.9089 9.1818 9.1818 k = 0.4757 0.5331-0.0308 ( 10849 PWs) bands (ev): -41.7533 -41.7533 -41.7268 -41.7268 -18.4394 -18.4394 -18.1475 -18.1475 -16.9424 -16.9424 -16.7393 -16.7393 -5.9293 -5.9293 -5.1960 -5.1960 -4.6688 -4.6688 -3.6728 -3.6728 -3.5487 -3.5487 -3.3007 -3.3007 -1.2795 -1.2795 -1.1780 -1.1780 -0.6668 -0.6668 -0.5273 -0.5273 -0.0592 -0.0592 -0.0487 -0.0487 6.0591 6.0591 7.4358 7.4358 7.9153 7.9153 9.1674 9.1674 k = 0.4797 0.5376-0.0145 ( 10849 PWs) bands (ev): -41.7532 -41.7532 -41.7266 -41.7266 -18.4354 -18.4354 -18.1447 -18.1447 -16.9364 -16.9364 -16.7340 -16.7340 -5.9418 -5.9418 -5.1943 -5.1943 -4.6860 -4.6860 -3.6933 -3.6933 -3.5505 -3.5505 -3.3180 -3.3180 -1.3114 -1.3114 -1.2025 -1.2025 -0.6666 -0.6666 -0.5126 -0.5126 -0.0514 -0.0514 -0.0432 -0.0432 6.1039 6.1039 7.4834 7.4834 7.9219 7.9219 9.1545 9.1545 k = 0.4837 0.5421 0.0018 ( 10848 PWs) bands (ev): -41.7530 -41.7530 -41.7265 -41.7265 -18.4312 -18.4312 -18.1416 -18.1416 -16.9300 -16.9300 -16.7284 -16.7284 -5.9551 -5.9551 -5.1927 -5.1927 -4.7045 -4.7045 -3.7144 -3.7144 -3.5524 -3.5524 -3.3356 -3.3356 -1.3439 -1.3439 -1.2284 -1.2284 -0.6661 -0.6661 -0.4979 -0.4979 -0.0457 -0.0457 -0.0352 -0.0352 6.1494 6.1494 7.5324 7.5324 7.9285 7.9285 9.1434 9.1434 k = 0.4877 0.5466 0.0180 ( 10852 PWs) bands (ev): -41.7529 -41.7529 -41.7263 -41.7263 -18.4267 -18.4267 -18.1384 -18.1384 -16.9233 -16.9233 -16.7225 -16.7225 -5.9694 -5.9694 -5.1912 -5.1912 -4.7244 -4.7244 -3.7357 -3.7357 -3.5543 -3.5543 -3.3535 -3.3535 -1.3769 -1.3769 -1.2556 -1.2556 -0.6653 -0.6653 -0.4830 -0.4830 -0.0411 -0.0411 -0.0255 -0.0255 6.1953 6.1953 7.5825 7.5825 7.9350 7.9350 9.1342 9.1342 k = 0.4917 0.5511 0.0343 ( 10854 PWs) bands (ev): -41.7527 -41.7527 -41.7262 -41.7262 -18.4221 -18.4221 -18.1351 -18.1351 -16.9163 -16.9163 -16.7164 -16.7164 -5.9845 -5.9845 -5.1897 -5.1897 -4.7456 -4.7456 -3.7571 -3.7571 -3.5564 -3.5564 -3.3716 -3.3716 -1.4103 -1.4103 -1.2838 -1.2838 -0.6640 -0.6640 -0.4680 -0.4680 -0.0369 -0.0369 -0.0150 -0.0150 6.2413 6.2413 7.6333 7.6333 7.9411 7.9411 9.1271 9.1271 k = 0.4957 0.5555 0.0505 ( 10850 PWs) bands (ev): -41.7525 -41.7525 -41.7260 -41.7260 -18.4173 -18.4173 -18.1316 -18.1316 -16.9089 -16.9089 -16.7100 -16.7100 -6.0005 -6.0005 -5.1883 -5.1883 -4.7683 -4.7683 -3.7785 -3.7785 -3.5585 -3.5585 -3.3896 -3.3896 -1.4441 -1.4441 -1.3131 -1.3131 -0.6622 -0.6622 -0.4528 -0.4528 -0.0327 -0.0327 -0.0040 -0.0040 6.2868 6.2868 7.6843 7.6843 7.9469 7.9469 9.1223 9.1223 k = 0.4997 0.5600 0.0668 ( 10854 PWs) bands (ev): -41.7524 -41.7524 -41.7258 -41.7258 -18.4123 -18.4123 -18.1280 -18.1280 -16.9013 -16.9013 -16.7035 -16.7035 -6.0173 -6.0173 -5.1870 -5.1870 -4.7922 -4.7922 -3.7997 -3.7997 -3.5608 -3.5608 -3.4076 -3.4076 -1.4781 -1.4781 -1.3432 -1.3432 -0.6598 -0.6598 -0.4376 -0.4376 -0.0283 -0.0283 0.0074 0.0074 6.3316 6.3316 7.7352 7.7352 7.9522 7.9522 9.1201 9.1201 k = 0.5037 0.5645 0.0831 ( 10852 PWs) bands (ev): -41.7522 -41.7522 -41.7257 -41.7257 -18.4072 -18.4072 -18.1243 -18.1243 -16.8935 -16.8935 -16.6967 -16.6967 -6.0348 -6.0348 -5.1859 -5.1859 -4.8175 -4.8175 -3.8206 -3.8206 -3.5631 -3.5631 -3.4254 -3.4254 -1.5123 -1.5123 -1.3739 -1.3739 -0.6569 -0.6569 -0.4222 -0.4222 -0.0239 -0.0239 0.0192 0.0192 6.3752 6.3752 7.7854 7.7854 7.9568 7.9568 9.1204 9.1204 k = 0.5077 0.5690 0.0993 ( 10848 PWs) bands (ev): -41.7520 -41.7520 -41.7255 -41.7255 -18.4020 -18.4020 -18.1205 -18.1205 -16.8854 -16.8854 -16.6898 -16.6898 -6.0531 -6.0531 -5.1849 -5.1849 -4.8440 -4.8440 -3.8411 -3.8411 -3.5655 -3.5655 -3.4429 -3.4429 -1.5465 -1.5465 -1.4053 -1.4053 -0.6533 -0.6533 -0.4067 -0.4067 -0.0192 -0.0192 0.0312 0.0312 6.4173 6.4173 7.8344 7.8344 7.9607 7.9607 9.1236 9.1236 k = 0.5117 0.5735 0.1156 ( 10858 PWs) bands (ev): -41.7518 -41.7518 -41.7253 -41.7253 -18.3967 -18.3967 -18.1166 -18.1166 -16.8772 -16.8772 -16.6828 -16.6828 -6.0720 -6.0720 -5.1840 -5.1840 -4.8717 -4.8717 -3.8610 -3.8610 -3.5680 -3.5680 -3.4601 -3.4601 -1.5808 -1.5808 -1.4371 -1.4371 -0.6491 -0.6491 -0.3912 -0.3912 -0.0144 -0.0144 0.0436 0.0436 6.4577 6.4577 7.8818 7.8818 7.9638 7.9638 9.1295 9.1295 k = 0.5157 0.5780 0.1318 ( 10852 PWs) bands (ev): -41.7516 -41.7516 -41.7251 -41.7251 -18.3913 -18.3913 -18.1127 -18.1127 -16.8688 -16.8688 -16.6756 -16.6756 -6.0915 -6.0915 -5.1833 -5.1833 -4.9004 -4.9004 -3.8803 -3.8803 -3.5705 -3.5705 -3.4768 -3.4768 -1.6148 -1.6148 -1.4691 -1.4691 -0.6442 -0.6442 -0.3755 -0.3755 -0.0094 -0.0094 0.0562 0.0562 6.4961 6.4961 7.9270 7.9270 7.9662 7.9662 9.1383 9.1383 k = 0.5197 0.5825 0.1481 ( 10844 PWs) bands (ev): -41.7514 -41.7514 -41.7249 -41.7249 -18.3859 -18.3859 -18.1086 -18.1086 -16.8603 -16.8603 -16.6683 -16.6683 -6.1115 -6.1115 -5.1827 -5.1827 -4.9300 -4.9300 -3.8989 -3.8989 -3.5732 -3.5732 -3.4930 -3.4930 -1.6487 -1.6487 -1.5013 -1.5013 -0.6386 -0.6386 -0.3598 -0.3598 -0.0042 -0.0042 0.0690 0.0690 6.5322 6.5322 7.9667 7.9667 7.9704 7.9704 9.1496 9.1496 k = 0.5237 0.5870 0.1643 ( 10847 PWs) bands (ev): -41.7512 -41.7512 -41.7248 -41.7248 -18.3805 -18.3805 -18.1046 -18.1046 -16.8517 -16.8517 -16.6610 -16.6610 -6.1319 -6.1319 -5.1824 -5.1824 -4.9604 -4.9604 -3.9168 -3.9168 -3.5759 -3.5759 -3.5088 -3.5088 -1.6823 -1.6823 -1.5334 -1.5334 -0.6324 -0.6324 -0.3441 -0.3441 0.0012 0.0012 0.0820 0.0820 6.5661 6.5661 7.9680 7.9680 8.0090 8.0090 9.1632 9.1632 k = 0.5277 0.5914 0.1806 ( 10853 PWs) bands (ev): -41.7511 -41.7511 -41.7246 -41.7246 -18.3751 -18.3751 -18.1005 -18.1005 -16.8430 -16.8430 -16.6536 -16.6536 -6.1527 -6.1527 -5.1822 -5.1822 -4.9915 -4.9915 -3.9339 -3.9339 -3.5786 -3.5786 -3.5239 -3.5239 -1.7154 -1.7154 -1.5655 -1.5655 -0.6255 -0.6255 -0.3284 -0.3284 0.0067 0.0067 0.0952 0.0952 6.5976 6.5976 7.9676 7.9676 8.0445 8.0445 9.1786 9.1786 k = 0.5317 0.5959 0.1969 ( 10857 PWs) bands (ev): -41.7509 -41.7509 -41.7244 -41.7244 -18.3697 -18.3697 -18.0964 -18.0964 -16.8344 -16.8344 -16.6461 -16.6461 -6.1737 -6.1737 -5.1823 -5.1823 -5.0230 -5.0230 -3.9502 -3.9502 -3.5815 -3.5815 -3.5385 -3.5385 -1.7480 -1.7480 -1.5972 -1.5972 -0.6180 -0.6180 -0.3127 -0.3127 0.0124 0.0124 0.1085 0.1085 6.6267 6.6267 7.9663 7.9663 8.0758 8.0758 9.1952 9.1952 k = 0.5357 0.6004 0.2131 ( 10862 PWs) bands (ev): -41.7507 -41.7507 -41.7242 -41.7242 -18.3644 -18.3644 -18.0923 -18.0923 -16.8257 -16.8257 -16.6387 -16.6387 -6.1949 -6.1949 -5.1825 -5.1825 -5.0548 -5.0548 -3.9657 -3.9657 -3.5844 -3.5844 -3.5525 -3.5525 -1.7801 -1.7801 -1.6286 -1.6286 -0.6099 -0.6099 -0.2971 -0.2971 0.0183 0.0183 0.1219 0.1219 6.6534 6.6534 7.9641 7.9641 8.1023 8.1023 9.2123 9.2123 k = 0.5397 0.6049 0.2294 ( 10862 PWs) bands (ev): -41.7505 -41.7505 -41.7240 -41.7240 -18.3592 -18.3592 -18.0882 -18.0882 -16.8171 -16.8171 -16.6313 -16.6313 -6.2161 -6.2161 -5.1830 -5.1830 -5.0868 -5.0868 -3.9805 -3.9805 -3.5873 -3.5873 -3.5659 -3.5659 -1.8115 -1.8115 -1.6594 -1.6594 -0.6013 -0.6013 -0.2815 -0.2815 0.0243 0.0243 0.1354 0.1354 6.6778 6.6778 7.9612 7.9612 8.1238 8.1238 9.2290 9.2290 k = 0.5437 0.6094 0.2456 ( 10866 PWs) bands (ev): -41.7503 -41.7503 -41.7239 -41.7239 -18.3541 -18.3541 -18.0842 -18.0842 -16.8085 -16.8085 -16.6240 -16.6240 -6.2373 -6.2373 -5.1839 -5.1839 -5.1186 -5.1186 -3.9945 -3.9945 -3.5905 -3.5905 -3.5786 -3.5786 -1.8421 -1.8421 -1.6896 -1.6896 -0.5922 -0.5922 -0.2661 -0.2661 0.0304 0.0304 0.1489 0.1489 6.7002 6.7002 7.9575 7.9575 8.1399 8.1399 9.2449 9.2449 k = 0.5477 0.6139 0.2619 ( 10874 PWs) bands (ev): -41.7501 -41.7501 -41.7237 -41.7237 -18.3491 -18.3491 -18.0802 -18.0802 -16.8001 -16.8001 -16.6167 -16.6167 -6.2582 -6.2582 -5.1851 -5.1851 -5.1499 -5.1499 -4.0078 -4.0078 -3.5943 -3.5943 -3.5900 -3.5900 -1.8719 -1.8719 -1.7190 -1.7190 -0.5825 -0.5825 -0.2509 -0.2509 0.0366 0.0366 0.1624 0.1624 6.7206 6.7206 7.9531 7.9531 8.1505 8.1505 9.2594 9.2594 k = 0.5517 0.6184 0.2782 ( 10870 PWs) bands (ev): -41.7499 -41.7499 -41.7235 -41.7235 -18.3443 -18.3443 -18.0762 -18.0762 -16.7918 -16.7918 -16.6096 -16.6096 -6.2788 -6.2788 -5.1890 -5.1890 -5.1785 -5.1785 -4.0204 -4.0204 -3.6034 -3.6034 -3.5957 -3.5957 -1.9008 -1.9008 -1.7476 -1.7476 -0.5725 -0.5725 -0.2358 -0.2358 0.0429 0.0429 0.1759 0.1759 6.7393 6.7393 7.9482 7.9482 8.1554 8.1554 9.2728 9.2728 k = 0.5557 0.6229 0.2944 ( 10865 PWs) bands (ev): -41.7498 -41.7498 -41.7233 -41.7233 -18.3397 -18.3397 -18.0724 -18.0724 -16.7837 -16.7837 -16.6025 -16.6025 -6.2990 -6.2990 -5.2136 -5.2136 -5.1860 -5.1860 -4.0322 -4.0322 -3.6143 -3.6143 -3.5991 -3.5991 -1.9287 -1.9287 -1.7752 -1.7752 -0.5621 -0.5621 -0.2210 -0.2210 0.0492 0.0492 0.1893 0.1893 6.7567 6.7567 7.9429 7.9429 8.1546 8.1546 9.2852 9.2852 k = 0.5597 0.6273 0.3107 ( 10865 PWs) bands (ev): -41.7496 -41.7496 -41.7232 -41.7232 -18.3352 -18.3352 -18.0686 -18.0686 -16.7758 -16.7758 -16.5957 -16.5957 -6.3186 -6.3186 -5.2430 -5.2430 -5.1881 -5.1881 -4.0434 -4.0434 -3.6249 -3.6249 -3.6023 -3.6023 -1.9556 -1.9556 -1.8018 -1.8018 -0.5514 -0.5514 -0.2064 -0.2064 0.0557 0.0557 0.2026 0.2026 6.7728 6.7728 7.9373 7.9373 8.1484 8.1484 9.2972 9.2972 k = 0.5638 0.6318 0.3269 ( 10869 PWs) bands (ev): -41.7494 -41.7494 -41.7230 -41.7230 -18.3310 -18.3310 -18.0649 -18.0649 -16.7682 -16.7682 -16.5890 -16.5890 -6.3376 -6.3376 -5.2719 -5.2719 -5.1902 -5.1902 -4.0540 -4.0540 -3.6350 -3.6350 -3.6055 -3.6055 -1.9814 -1.9814 -1.8272 -1.8272 -0.5405 -0.5405 -0.1921 -0.1921 0.0621 0.0621 0.2158 0.2158 6.7882 6.7882 7.9315 7.9315 8.1369 8.1369 9.3090 9.3090 k = 0.5678 0.6363 0.3432 ( 10860 PWs) bands (ev): -41.7493 -41.7493 -41.7229 -41.7229 -18.3270 -18.3270 -18.0614 -18.0614 -16.7608 -16.7608 -16.5826 -16.5826 -6.3558 -6.3558 -5.2998 -5.2998 -5.1924 -5.1924 -4.0640 -4.0640 -3.6448 -3.6448 -3.6088 -3.6088 -2.0060 -2.0060 -1.8514 -1.8514 -0.5293 -0.5293 -0.1782 -0.1782 0.0686 0.0686 0.2288 0.2288 6.8029 6.8029 7.9257 7.9257 8.1206 8.1206 9.3209 9.3209 k = 0.5718 0.6408 0.3595 ( 10854 PWs) bands (ev): -41.7491 -41.7491 -41.7227 -41.7227 -18.3233 -18.3233 -18.0580 -18.0580 -16.7537 -16.7537 -16.5763 -16.5763 -6.3730 -6.3730 -5.3265 -5.3265 -5.1949 -5.1949 -4.0734 -4.0734 -3.6541 -3.6541 -3.6120 -3.6120 -2.0295 -2.0295 -1.8743 -1.8743 -0.5180 -0.5180 -0.1646 -0.1646 0.0751 0.0751 0.2416 0.2416 6.8174 6.8174 7.9200 7.9200 8.0998 8.0998 9.3333 9.3333 k = 0.5758 0.6453 0.3757 ( 10860 PWs) bands (ev): -41.7490 -41.7490 -41.7226 -41.7226 -18.3199 -18.3199 -18.0547 -18.0547 -16.7470 -16.7470 -16.5704 -16.5704 -6.3893 -6.3893 -5.3518 -5.3518 -5.1976 -5.1976 -4.0822 -4.0822 -3.6630 -3.6630 -3.6153 -3.6153 -2.0516 -2.0516 -1.8959 -1.8959 -0.5067 -0.5067 -0.1515 -0.1515 0.0816 0.0816 0.2541 0.2541 6.8319 6.8319 7.9145 7.9145 8.0748 8.0748 9.3461 9.3461 k = 0.5798 0.6498 0.3920 ( 10863 PWs) bands (ev): -41.7489 -41.7489 -41.7225 -41.7225 -18.3168 -18.3168 -18.0516 -18.0516 -16.7407 -16.7407 -16.5647 -16.5647 -6.4044 -6.4044 -5.3757 -5.3757 -5.2005 -5.2005 -4.0905 -4.0905 -3.6716 -3.6716 -3.6186 -3.6186 -2.0725 -2.0725 -1.9160 -1.9160 -0.4953 -0.4953 -0.1387 -0.1387 0.0881 0.0881 0.2664 0.2664 6.8466 6.8466 7.9095 7.9095 8.0463 8.0463 9.3592 9.3592 k = 0.5838 0.6543 0.4082 ( 10861 PWs) bands (ev): -41.7488 -41.7488 -41.7223 -41.7223 -18.3139 -18.3139 -18.0486 -18.0486 -16.7347 -16.7347 -16.5593 -16.5593 -6.4183 -6.4183 -5.3979 -5.3979 -5.2037 -5.2037 -4.0983 -4.0983 -3.6798 -3.6798 -3.6219 -3.6219 -2.0920 -2.0920 -1.9347 -1.9347 -0.4841 -0.4841 -0.1265 -0.1265 0.0946 0.0946 0.2783 0.2783 6.8620 6.8620 7.9051 7.9051 8.0145 8.0145 9.3725 9.3725 k = 0.5878 0.6588 0.4245 ( 10857 PWs) bands (ev): -41.7486 -41.7486 -41.7222 -41.7222 -18.3115 -18.3115 -18.0459 -18.0459 -16.7292 -16.7292 -16.5543 -16.5543 -6.4309 -6.4309 -5.4185 -5.4185 -5.2071 -5.2071 -4.1056 -4.1056 -3.6877 -3.6877 -3.6252 -3.6252 -2.1101 -2.1101 -1.9518 -1.9518 -0.4729 -0.4729 -0.1147 -0.1147 0.1010 0.1010 0.2898 0.2898 6.8781 6.8781 7.9015 7.9015 7.9799 7.9799 9.3859 9.3859 k = 0.5918 0.6632 0.4407 ( 10849 PWs) bands (ev): -41.7485 -41.7485 -41.7221 -41.7221 -18.3094 -18.3094 -18.0433 -18.0433 -16.7241 -16.7241 -16.5496 -16.5496 -6.4421 -6.4421 -5.4372 -5.4372 -5.2108 -5.2108 -4.1124 -4.1124 -3.6954 -3.6954 -3.6285 -3.6285 -2.1268 -2.1268 -1.9673 -1.9673 -0.4619 -0.4619 -0.1034 -0.1034 0.1074 0.1074 0.3010 0.3010 6.8952 6.8952 7.8987 7.8987 7.9428 7.9428 9.3992 9.3992 k = 0.5958 0.6677 0.4570 ( 10853 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3076 -18.3076 -18.0409 -18.0409 -16.7195 -16.7195 -16.5452 -16.5452 -6.4518 -6.4518 -5.4540 -5.4540 -5.2147 -5.2147 -4.1187 -4.1187 -3.7028 -3.7028 -3.6318 -3.6318 -2.1420 -2.1420 -1.9812 -1.9812 -0.4511 -0.4511 -0.0927 -0.0927 0.1137 0.1137 0.3118 0.3118 6.9135 6.9135 7.8968 7.8968 7.9038 7.9038 9.4121 9.4121 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3062 -18.3062 -18.0387 -18.0387 -16.7154 -16.7154 -16.5412 -16.5412 -6.4600 -6.4600 -5.4689 -5.4689 -5.2188 -5.2188 -4.1245 -4.1245 -3.7100 -3.7100 -3.6351 -3.6351 -2.1557 -2.1557 -1.9935 -1.9935 -0.4406 -0.4406 -0.0826 -0.0826 0.1199 0.1199 0.3221 0.3221 6.9333 6.9333 7.8627 7.8627 7.8963 7.8963 9.4244 9.4244 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3062 -18.3062 -18.0387 -18.0387 -16.7154 -16.7154 -16.5412 -16.5412 -6.4600 -6.4600 -5.4689 -5.4689 -5.2188 -5.2188 -4.1245 -4.1245 -3.7100 -3.7100 -3.6351 -3.6351 -2.1557 -2.1557 -1.9935 -1.9935 -0.4406 -0.4406 -0.0826 -0.0826 0.1199 0.1199 0.3221 0.3221 6.9333 6.9333 7.8627 7.8627 7.8963 7.8963 9.4244 9.4244 k = 0.5927 0.6642 0.4857 ( 10849 PWs) bands (ev): -41.7483 -41.7483 -41.7219 -41.7219 -18.3061 -18.3061 -18.0381 -18.0381 -16.7156 -16.7156 -16.5361 -16.5361 -6.4668 -6.4668 -5.4869 -5.4869 -5.2165 -5.2165 -4.1271 -4.1271 -3.7069 -3.7069 -3.6378 -3.6378 -2.1697 -2.1697 -1.9972 -1.9972 -0.4202 -0.4202 -0.0783 -0.0783 0.1271 0.1271 0.3397 0.3397 6.9468 6.9468 7.8312 7.8312 7.8662 7.8662 9.4074 9.4074 k = 0.5855 0.6562 0.4981 ( 10847 PWs) bands (ev): -41.7483 -41.7483 -41.7219 -41.7219 -18.3061 -18.3061 -18.0374 -18.0374 -16.7158 -16.7158 -16.5313 -16.5313 -6.4730 -6.4730 -5.5039 -5.5039 -5.2144 -5.2144 -4.1294 -4.1294 -3.7041 -3.7041 -3.6404 -3.6404 -2.1828 -2.1828 -2.0005 -2.0005 -0.4005 -0.4005 -0.0743 -0.0743 0.1337 0.1337 0.3563 0.3563 6.9615 6.9615 7.7979 7.7979 7.8380 7.8380 9.3928 9.3928 k = 0.5784 0.6483 0.5105 ( 10861 PWs) bands (ev): -41.7483 -41.7483 -41.7219 -41.7219 -18.3061 -18.3061 -18.0369 -18.0369 -16.7160 -16.7160 -16.5268 -16.5268 -6.4786 -6.4786 -5.5199 -5.5199 -5.2124 -5.2124 -4.1315 -4.1315 -3.7016 -3.7016 -3.6429 -3.6429 -2.1948 -2.1948 -2.0036 -2.0036 -0.3814 -0.3814 -0.0707 -0.0707 0.1394 0.1394 0.3720 0.3720 6.9772 6.9772 7.7631 7.7631 7.8118 7.8118 9.3804 9.3804 k = 0.5713 0.6403 0.5230 ( 10867 PWs) bands (ev): -41.7483 -41.7483 -41.7219 -41.7219 -18.3062 -18.3062 -18.0363 -18.0363 -16.7162 -16.7162 -16.5226 -16.5226 -6.4835 -6.4835 -5.5348 -5.5348 -5.2107 -5.2107 -4.1334 -4.1334 -3.6994 -3.6994 -3.6452 -3.6452 -2.2058 -2.2058 -2.0063 -2.0063 -0.3633 -0.3633 -0.0674 -0.0674 0.1445 0.1445 0.3866 0.3866 6.9939 6.9939 7.7274 7.7274 7.7877 7.7877 9.3699 9.3699 k = 0.5642 0.6323 0.5354 ( 10869 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3062 -18.3062 -18.0358 -18.0358 -16.7164 -16.7164 -16.5187 -16.5187 -6.4879 -6.4879 -5.5486 -5.5486 -5.2092 -5.2092 -4.1350 -4.1350 -3.6976 -3.6976 -3.6474 -3.6474 -2.2158 -2.2158 -2.0088 -2.0088 -0.3463 -0.3463 -0.0644 -0.0644 0.1488 0.1488 0.4000 0.4000 7.0117 7.0117 7.6912 7.6912 7.7657 7.7657 9.3613 9.3613 k = 0.5570 0.6243 0.5478 ( 10856 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3063 -18.3063 -18.0354 -18.0354 -16.7166 -16.7166 -16.5153 -16.5153 -6.4917 -6.4917 -5.5610 -5.5610 -5.2078 -5.2078 -4.1365 -4.1365 -3.6960 -3.6960 -3.6494 -3.6494 -2.2248 -2.2248 -2.0110 -2.0110 -0.3305 -0.3305 -0.0617 -0.0617 0.1525 0.1525 0.4122 0.4122 7.0303 7.0303 7.6550 7.6550 7.7458 7.7458 9.3541 9.3541 k = 0.5499 0.6163 0.5602 ( 10862 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3063 -18.3063 -18.0350 -18.0350 -16.7168 -16.7168 -16.5121 -16.5121 -6.4950 -6.4950 -5.5722 -5.5722 -5.2066 -5.2066 -4.1377 -4.1377 -3.6946 -3.6946 -3.6512 -3.6512 -2.2328 -2.2328 -2.0129 -2.0129 -0.3161 -0.3161 -0.0594 -0.0594 0.1555 0.1555 0.4231 0.4231 7.0496 7.0496 7.6193 7.6193 7.7282 7.7282 9.3483 9.3483 k = 0.5428 0.6083 0.5727 ( 10868 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3064 -18.3064 -18.0347 -18.0347 -16.7170 -16.7170 -16.5094 -16.5094 -6.4978 -6.4978 -5.5820 -5.5820 -5.2056 -5.2056 -4.1388 -4.1388 -3.6934 -3.6934 -3.6528 -3.6528 -2.2397 -2.2397 -2.0145 -2.0145 -0.3033 -0.3033 -0.0573 -0.0573 0.1579 0.1579 0.4326 0.4326 7.0693 7.0693 7.5848 7.5848 7.7129 7.7129 9.3437 9.3437 k = 0.5356 0.6003 0.5851 ( 10865 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3064 -18.3064 -18.0344 -18.0344 -16.7171 -16.7171 -16.5071 -16.5071 -6.5002 -6.5002 -5.5904 -5.5904 -5.2047 -5.2047 -4.1397 -4.1397 -3.6925 -3.6925 -3.6541 -3.6541 -2.2455 -2.2455 -2.0159 -2.0159 -0.2921 -0.2921 -0.0556 -0.0556 0.1599 0.1599 0.4408 0.4408 7.0889 7.0889 7.5521 7.5521 7.6998 7.6998 9.3400 9.3400 k = 0.5285 0.5923 0.5975 ( 10868 PWs) bands (ev): -41.7482 -41.7482 -41.7218 -41.7218 -18.3065 -18.3065 -18.0341 -18.0341 -16.7172 -16.7172 -16.5052 -16.5052 -6.5020 -6.5020 -5.5973 -5.5973 -5.2040 -5.2040 -4.1404 -4.1404 -3.6917 -3.6917 -3.6552 -3.6552 -2.2503 -2.2503 -2.0170 -2.0170 -0.2827 -0.2827 -0.0541 -0.0541 0.1614 0.1614 0.4475 0.4475 7.1078 7.1078 7.5223 7.5223 7.6891 7.6891 9.3371 9.3371 k = 0.5214 0.5843 0.6099 ( 10870 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3065 -18.3065 -18.0339 -18.0339 -16.7173 -16.7173 -16.5037 -16.5037 -6.5035 -6.5035 -5.6028 -5.6028 -5.2035 -5.2035 -4.1409 -4.1409 -3.6912 -3.6912 -3.6561 -3.6561 -2.2541 -2.2541 -2.0179 -2.0179 -0.2753 -0.2753 -0.0530 -0.0530 0.1624 0.1624 0.4528 0.4528 7.1250 7.1250 7.4964 7.4964 7.6808 7.6808 9.3351 9.3351 k = 0.5143 0.5764 0.6223 ( 10866 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3066 -18.3066 -18.0338 -18.0338 -16.7174 -16.7174 -16.5026 -16.5026 -6.5045 -6.5045 -5.6067 -5.6067 -5.2031 -5.2031 -4.1413 -4.1413 -3.6908 -3.6908 -3.6568 -3.6568 -2.2567 -2.2567 -2.0185 -2.0185 -0.2700 -0.2700 -0.0522 -0.0522 0.1632 0.1632 0.4565 0.4565 7.1391 7.1391 7.4759 7.4759 7.6748 7.6748 9.3336 9.3336 k = 0.5071 0.5684 0.6348 ( 10874 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3066 -18.3066 -18.0337 -18.0337 -16.7174 -16.7174 -16.5019 -16.5019 -6.5051 -6.5051 -5.6090 -5.6090 -5.2029 -5.2029 -4.1415 -4.1415 -3.6906 -3.6906 -3.6572 -3.6572 -2.2583 -2.2583 -2.0189 -2.0189 -0.2667 -0.2667 -0.0517 -0.0517 0.1636 0.1636 0.4588 0.4588 7.1486 7.1486 7.4626 7.4626 7.6712 7.6712 9.3328 9.3328 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3066 -18.3066 -18.0337 -18.0337 -16.7174 -16.7174 -16.5017 -16.5017 -6.5053 -6.5053 -5.6098 -5.6098 -5.2028 -5.2028 -4.1416 -4.1416 -3.6905 -3.6905 -3.6573 -3.6573 -2.2589 -2.2589 -2.0190 -2.0190 -0.2656 -0.2656 -0.0515 -0.0515 0.1637 0.1637 0.4596 0.4596 7.1519 7.1519 7.4580 7.4580 7.6700 7.6700 9.3325 9.3325 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3066 -18.3066 -18.0337 -18.0337 -16.7174 -16.7174 -16.5017 -16.5017 -6.5053 -6.5053 -5.6098 -5.6098 -5.2028 -5.2028 -4.1416 -4.1416 -3.6905 -3.6905 -3.6573 -3.6573 -2.2589 -2.2589 -2.0190 -2.0190 -0.2656 -0.2656 -0.0515 -0.0515 0.1637 0.1637 0.4596 0.4596 7.1519 7.1519 7.4580 7.4580 7.6700 7.6700 9.3325 9.3325 k = 0.5128 0.5490 0.6472 ( 10872 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3066 -18.3066 -18.0337 -18.0337 -16.7174 -16.7174 -16.5018 -16.5018 -6.5048 -6.5048 -5.6091 -5.6091 -5.2031 -5.2031 -4.1419 -4.1419 -3.6954 -3.6954 -3.6530 -3.6530 -2.2587 -2.2587 -2.0186 -2.0186 -0.2660 -0.2660 -0.0521 -0.0521 0.1630 0.1630 0.4592 0.4592 7.1521 7.1521 7.4577 7.4577 7.6728 7.6728 9.3342 9.3342 k = 0.5256 0.5375 0.6472 ( 10870 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3065 -18.3065 -18.0336 -18.0336 -16.7175 -16.7175 -16.5020 -16.5020 -6.5035 -6.5035 -5.6068 -5.6068 -5.2040 -5.2040 -4.1426 -4.1426 -3.7062 -3.7062 -3.6440 -3.6440 -2.2581 -2.2581 -2.0176 -2.0176 -0.2670 -0.2670 -0.0538 -0.0538 0.1607 0.1607 0.4581 0.4581 7.1525 7.1525 7.4570 7.4570 7.6810 7.6810 9.3391 9.3391 k = 0.5384 0.5261 0.6472 ( 10878 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3064 -18.3064 -18.0334 -18.0334 -16.7176 -16.7176 -16.5024 -16.5024 -6.5012 -6.5012 -5.6030 -5.6030 -5.2055 -5.2055 -4.1439 -4.1439 -3.7194 -3.7194 -3.6340 -3.6340 -2.2572 -2.2572 -2.0159 -2.0159 -0.2687 -0.2687 -0.0566 -0.0566 0.1568 0.1568 0.4562 0.4562 7.1532 7.1532 7.4558 7.4558 7.6947 7.6947 9.3473 9.3473 k = 0.5512 0.5147 0.6472 ( 10872 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3063 -18.3063 -18.0332 -18.0332 -16.7177 -16.7177 -16.5029 -16.5029 -6.4980 -6.4980 -5.5976 -5.5976 -5.2075 -5.2075 -4.1456 -4.1456 -3.7337 -3.7337 -3.6241 -3.6241 -2.2559 -2.2559 -2.0136 -2.0136 -0.2711 -0.2711 -0.0605 -0.0605 0.1515 0.1515 0.4536 0.4536 7.1544 7.1544 7.4541 7.4541 7.7137 7.7137 9.3586 9.3586 k = 0.5640 0.5033 0.6472 ( 10864 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3061 -18.3061 -18.0330 -18.0330 -16.7179 -16.7179 -16.5035 -16.5035 -6.4939 -6.4939 -5.5908 -5.5908 -5.2102 -5.2102 -4.1478 -4.1478 -3.7488 -3.7488 -3.6146 -3.6146 -2.2542 -2.2542 -2.0105 -2.0105 -0.2742 -0.2742 -0.0655 -0.0655 0.1447 0.1447 0.4503 0.4503 7.1561 7.1561 7.4520 7.4520 7.7378 7.7378 9.3731 9.3731 k = 0.5768 0.4919 0.6472 ( 10864 PWs) bands (ev): -41.7481 -41.7481 -41.7217 -41.7217 -18.3059 -18.3059 -18.0327 -18.0327 -16.7181 -16.7181 -16.5043 -16.5043 -6.4889 -6.4889 -5.5826 -5.5826 -5.2134 -5.2134 -4.1505 -4.1505 -3.7644 -3.7644 -3.6057 -3.6057 -2.2522 -2.2522 -2.0068 -2.0068 -0.2779 -0.2779 -0.0715 -0.0715 0.1365 0.1365 0.4463 0.4463 7.1585 7.1585 7.4495 7.4495 7.7669 7.7669 9.3906 9.3906 k = 0.5896 0.4805 0.6472 ( 10866 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3057 -18.3057 -18.0323 -18.0323 -16.7183 -16.7183 -16.5052 -16.5052 -6.4830 -6.4830 -5.5729 -5.5729 -5.2173 -5.2173 -4.1536 -4.1536 -3.7804 -3.7804 -3.5976 -3.5976 -2.2499 -2.2499 -2.0025 -2.0025 -0.2822 -0.2822 -0.0784 -0.0784 0.1269 0.1269 0.4415 0.4415 7.1616 7.1616 7.4466 7.4466 7.8008 7.8008 9.4110 9.4110 k = 0.6024 0.4690 0.6472 ( 10868 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3055 -18.3055 -18.0318 -18.0318 -16.7186 -16.7186 -16.5063 -16.5063 -6.4763 -6.4763 -5.5618 -5.5618 -5.2217 -5.2217 -4.1572 -4.1572 -3.7968 -3.7968 -3.5902 -3.5902 -2.2473 -2.2473 -1.9975 -1.9975 -0.2871 -0.2871 -0.0864 -0.0864 0.1160 0.1160 0.4361 0.4361 7.1655 7.1655 7.4434 7.4434 7.8393 7.8393 9.4342 9.4342 k = 0.6152 0.4576 0.6472 ( 10874 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3052 -18.3052 -18.0314 -18.0314 -16.7188 -16.7188 -16.5074 -16.5074 -6.4687 -6.4687 -5.5494 -5.5494 -5.2267 -5.2267 -4.1611 -4.1611 -3.8135 -3.8135 -3.5837 -3.5837 -2.2444 -2.2444 -1.9919 -1.9919 -0.2925 -0.2925 -0.0952 -0.0952 0.1038 0.1038 0.4301 0.4301 7.1703 7.1703 7.4399 7.4399 7.8822 7.8822 9.4600 9.4600 k = 0.6280 0.4462 0.6472 ( 10866 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3049 -18.3049 -18.0308 -18.0308 -16.7192 -16.7192 -16.5087 -16.5087 -6.4603 -6.4603 -5.5357 -5.5357 -5.2324 -5.2324 -4.1654 -4.1654 -3.8304 -3.8304 -3.5780 -3.5780 -2.2412 -2.2412 -1.9857 -1.9857 -0.2984 -0.2984 -0.1048 -0.1048 0.0905 0.0905 0.4234 0.4234 7.1761 7.1761 7.4361 7.4361 7.9294 7.9294 9.4883 9.4883 k = 0.6408 0.4348 0.6472 ( 10876 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3046 -18.3046 -18.0302 -18.0302 -16.7195 -16.7195 -16.5101 -16.5101 -6.4511 -6.4511 -5.5207 -5.5207 -5.2386 -5.2386 -4.1700 -4.1700 -3.8474 -3.8474 -3.5731 -3.5731 -2.2378 -2.2378 -1.9789 -1.9789 -0.3048 -0.3048 -0.1151 -0.1151 0.0760 0.0760 0.4162 0.4162 7.1827 7.1827 7.4321 7.4321 7.9807 7.9807 9.5189 9.5189 k = 0.6536 0.4234 0.6472 ( 10868 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3043 -18.3043 -18.0295 -18.0295 -16.7199 -16.7199 -16.5115 -16.5115 -6.4411 -6.4411 -5.5046 -5.5046 -5.2454 -5.2454 -4.1750 -4.1750 -3.8645 -3.8645 -3.5691 -3.5691 -2.2342 -2.2342 -1.9716 -1.9716 -0.3116 -0.3116 -0.1262 -0.1262 0.0606 0.0606 0.4084 0.4084 7.1903 7.1903 7.4280 7.4280 8.0359 8.0359 9.5516 9.5516 k = 0.6664 0.4119 0.6472 ( 10876 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3040 -18.3040 -18.0288 -18.0288 -16.7203 -16.7203 -16.5131 -16.5131 -6.4304 -6.4304 -5.4874 -5.4874 -5.2528 -5.2528 -4.1802 -4.1802 -3.8816 -3.8816 -3.5660 -3.5660 -2.2304 -2.2304 -1.9637 -1.9637 -0.3188 -0.3188 -0.1379 -0.1379 0.0443 0.0443 0.4001 0.4001 7.1988 7.1988 7.4237 7.4237 8.0949 8.0949 9.5864 9.5864 k = 0.6792 0.4005 0.6472 ( 10856 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3037 -18.3037 -18.0280 -18.0280 -16.7207 -16.7207 -16.5147 -16.5147 -6.4189 -6.4189 -5.4691 -5.4691 -5.2608 -5.2608 -4.1856 -4.1856 -3.8987 -3.8987 -3.5638 -3.5638 -2.2265 -2.2265 -1.9554 -1.9554 -0.3263 -0.3263 -0.1500 -0.1500 0.0272 0.0272 0.3913 0.3913 7.2081 7.2081 7.4194 7.4194 8.1575 8.1575 9.6231 9.6231 k = 0.3208-0.2863 0.9250 ( 10856 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3037 -18.3037 -18.0280 -18.0280 -16.7207 -16.7207 -16.5147 -16.5147 -6.4189 -6.4189 -5.4691 -5.4691 -5.2608 -5.2608 -4.1856 -4.1856 -3.8987 -3.8987 -3.5638 -3.5638 -2.2265 -2.2265 -1.9554 -1.9554 -0.3263 -0.3263 -0.1500 -0.1500 0.0272 0.0272 0.3913 0.3913 7.2081 7.2081 7.4194 7.4194 8.1575 8.1575 9.6231 9.6231 k = 0.3080-0.2748 0.9250 ( 10858 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3034 -18.3034 -18.0272 -18.0272 -16.7211 -16.7211 -16.5164 -16.5164 -6.4067 -6.4067 -5.4498 -5.4498 -5.2694 -5.2694 -4.1913 -4.1913 -3.9157 -3.9157 -3.5624 -3.5624 -2.2224 -2.2224 -1.9467 -1.9467 -0.3341 -0.3341 -0.1627 -0.1627 0.0093 0.0093 0.3820 0.3820 7.2182 7.2182 7.4150 7.4150 8.2237 8.2237 9.6615 9.6615 k = 0.2952-0.2634 0.9250 ( 10862 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3031 -18.3031 -18.0263 -18.0263 -16.7215 -16.7215 -16.5182 -16.5182 -6.3939 -6.3939 -5.4296 -5.4296 -5.2785 -5.2785 -4.1971 -4.1971 -3.9325 -3.9325 -3.5619 -3.5619 -2.2182 -2.2182 -1.9375 -1.9375 -0.3421 -0.3421 -0.1758 -0.1758 -0.0091 -0.0091 0.3724 0.3724 7.2290 7.2290 7.4106 7.4106 8.2932 8.2932 9.7015 9.7015 k = 0.2823-0.2519 0.9250 ( 10862 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3028 -18.3028 -18.0254 -18.0254 -16.7220 -16.7220 -16.5200 -16.5200 -6.3805 -6.3805 -5.4087 -5.4087 -5.2882 -5.2882 -4.2031 -4.2031 -3.9491 -3.9491 -3.5622 -3.5622 -2.2139 -2.2139 -1.9280 -1.9280 -0.3502 -0.3502 -0.1891 -0.1891 -0.0280 -0.0280 0.3624 0.3624 7.2404 7.2404 7.4062 7.4062 8.3658 8.3658 9.7428 9.7428 k = 0.2695-0.2405 0.9250 ( 10854 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3025 -18.3025 -18.0245 -18.0245 -16.7224 -16.7224 -16.5219 -16.5219 -6.3665 -6.3665 -5.3871 -5.3871 -5.2984 -5.2984 -4.2091 -4.2091 -3.9654 -3.9654 -3.5633 -3.5633 -2.2095 -2.2095 -1.9182 -1.9182 -0.3584 -0.3584 -0.2026 -0.2026 -0.0472 -0.0472 0.3522 0.3522 7.2523 7.2523 7.4019 7.4019 8.4413 8.4413 9.7854 9.7854 k = 0.2567-0.2290 0.9250 ( 10846 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3023 -18.3023 -18.0235 -18.0235 -16.7229 -16.7229 -16.5238 -16.5238 -6.3520 -6.3520 -5.3651 -5.3651 -5.3090 -5.3090 -4.2152 -4.2152 -3.9814 -3.9814 -3.5652 -3.5652 -2.2051 -2.2051 -1.9082 -1.9082 -0.3667 -0.3667 -0.2162 -0.2162 -0.0666 -0.0666 0.3417 0.3417 7.2645 7.2645 7.3976 7.3976 8.5195 8.5195 9.8289 9.8289 k = 0.2438-0.2176 0.9250 ( 10838 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3020 -18.3020 -18.0225 -18.0225 -16.7233 -16.7233 -16.5257 -16.5257 -6.3371 -6.3371 -5.3429 -5.3429 -5.3198 -5.3198 -4.2213 -4.2213 -3.9970 -3.9970 -3.5678 -3.5678 -2.2008 -2.2008 -1.8980 -1.8980 -0.3749 -0.3749 -0.2298 -0.2298 -0.0861 -0.0861 0.3311 0.3311 7.2770 7.2770 7.3935 7.3935 8.6002 8.6002 9.8734 9.8734 k = 0.2310-0.2061 0.9250 ( 10830 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3018 -18.3018 -18.0214 -18.0214 -16.7238 -16.7238 -16.5276 -16.5276 -6.3218 -6.3218 -5.3333 -5.3333 -5.3181 -5.3181 -4.2273 -4.2273 -4.0121 -4.0121 -3.5712 -3.5712 -2.1964 -2.1964 -1.8878 -1.8878 -0.3831 -0.3831 -0.2434 -0.2434 -0.1056 -0.1056 0.3203 0.3203 7.2896 7.2896 7.3896 7.3896 8.6830 8.6830 9.9184 9.9184 k = 0.2182-0.1947 0.9250 ( 10822 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3016 -18.3016 -18.0204 -18.0204 -16.7242 -16.7242 -16.5295 -16.5295 -6.3061 -6.3061 -5.3445 -5.3445 -5.2958 -5.2958 -4.2332 -4.2332 -4.0267 -4.0267 -3.5752 -3.5752 -2.1921 -2.1921 -1.8775 -1.8775 -0.3912 -0.3912 -0.2568 -0.2568 -0.1249 -0.1249 0.3095 0.3095 7.3023 7.3023 7.3858 7.3858 8.7677 8.7677 9.9639 9.9639 k = 0.2053-0.1832 0.9250 ( 10828 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3014 -18.3014 -18.0193 -18.0193 -16.7247 -16.7247 -16.5313 -16.5313 -6.2903 -6.2903 -5.3567 -5.3567 -5.2728 -5.2728 -4.2390 -4.2390 -4.0408 -4.0408 -3.5798 -3.5798 -2.1878 -2.1878 -1.8672 -1.8672 -0.3990 -0.3990 -0.2699 -0.2699 -0.1439 -0.1439 0.2988 0.2988 7.3149 7.3149 7.3822 7.3822 8.8540 8.8540 10.0096 10.0096 k = 0.1925-0.1718 0.9250 ( 10836 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3012 -18.3012 -18.0182 -18.0182 -16.7251 -16.7251 -16.5332 -16.5332 -6.2742 -6.2742 -5.3693 -5.3693 -5.2499 -5.2499 -4.2447 -4.2447 -4.0542 -4.0542 -3.5849 -3.5849 -2.1837 -2.1837 -1.8571 -1.8571 -0.4067 -0.4067 -0.2828 -0.2828 -0.1624 -0.1624 0.2882 0.2882 7.3272 7.3272 7.3787 7.3787 8.9414 8.9414 10.0553 10.0553 k = 0.1797-0.1603 0.9250 ( 10846 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3011 -18.3011 -18.0172 -18.0172 -16.7255 -16.7255 -16.5350 -16.5350 -6.2582 -6.2582 -5.3821 -5.3821 -5.2272 -5.2272 -4.2502 -4.2502 -4.0670 -4.0670 -3.5905 -3.5905 -2.1797 -2.1797 -1.8472 -1.8472 -0.4140 -0.4140 -0.2952 -0.2952 -0.1804 -0.1804 0.2778 0.2778 7.3393 7.3393 7.3755 7.3755 9.0296 9.0296 10.1006 10.1006 k = 0.1668-0.1489 0.9250 ( 10854 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3010 -18.3010 -18.0161 -18.0161 -16.7259 -16.7259 -16.5367 -16.5367 -6.2421 -6.2421 -5.3950 -5.3950 -5.2049 -5.2049 -4.2554 -4.2554 -4.0791 -4.0791 -3.5964 -3.5964 -2.1758 -2.1758 -1.8376 -1.8376 -0.4210 -0.4210 -0.3071 -0.3071 -0.1978 -0.1978 0.2676 0.2676 7.3509 7.3509 7.3725 7.3725 9.1180 9.1180 10.1453 10.1453 k = 0.1540-0.1374 0.9250 ( 10850 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3009 -18.3009 -18.0151 -18.0151 -16.7263 -16.7263 -16.5383 -16.5383 -6.2263 -6.2263 -5.4079 -5.4079 -5.1833 -5.1833 -4.2604 -4.2604 -4.0905 -4.0905 -3.6025 -3.6025 -2.1721 -2.1721 -1.8283 -1.8283 -0.4277 -0.4277 -0.3184 -0.3184 -0.2144 -0.2144 0.2578 0.2578 7.3620 7.3620 7.3697 7.3697 9.2062 9.2062 10.1890 10.1890 k = 0.1412-0.1260 0.9250 ( 10838 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3008 -18.3008 -18.0142 -18.0142 -16.7267 -16.7267 -16.5399 -16.5399 -6.2107 -6.2107 -5.4207 -5.4207 -5.1624 -5.1624 -4.2651 -4.2651 -4.1011 -4.1011 -3.6088 -3.6088 -2.1685 -2.1685 -1.8194 -1.8194 -0.4339 -0.4339 -0.3291 -0.3291 -0.2301 -0.2301 0.2484 0.2484 7.3671 7.3671 7.3726 7.3726 9.2934 9.2934 10.2314 10.2314 k = 0.1283-0.1145 0.9250 ( 10848 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3007 -18.3007 -18.0132 -18.0132 -16.7270 -16.7270 -16.5414 -16.5414 -6.1956 -6.1956 -5.4332 -5.4332 -5.1426 -5.1426 -4.2695 -4.2695 -4.1109 -4.1109 -3.6152 -3.6152 -2.1652 -2.1652 -1.8111 -1.8111 -0.4397 -0.4397 -0.3391 -0.3391 -0.2448 -0.2448 0.2395 0.2395 7.3648 7.3648 7.3825 7.3825 9.3789 9.3789 10.2721 10.2721 k = 0.1155-0.1031 0.9250 ( 10860 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3006 -18.3006 -18.0124 -18.0124 -16.7273 -16.7273 -16.5427 -16.5427 -6.1811 -6.1811 -5.4454 -5.4454 -5.1238 -5.1238 -4.2735 -4.2735 -4.1198 -4.1198 -3.6214 -3.6214 -2.1622 -2.1622 -1.8033 -1.8033 -0.4450 -0.4450 -0.3483 -0.3483 -0.2585 -0.2585 0.2311 0.2311 7.3627 7.3627 7.3916 7.3916 9.4619 9.4619 10.3108 10.3108 k = 0.1027-0.0916 0.9250 ( 10852 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3006 -18.3006 -18.0116 -18.0116 -16.7276 -16.7276 -16.5440 -16.5440 -6.1674 -6.1674 -5.4570 -5.4570 -5.1065 -5.1065 -4.2772 -4.2772 -4.1279 -4.1279 -3.6275 -3.6275 -2.1593 -2.1593 -1.7961 -1.7961 -0.4498 -0.4498 -0.3567 -0.3567 -0.2709 -0.2709 0.2234 0.2234 7.3608 7.3608 7.3999 7.3999 9.5413 9.5413 10.3470 10.3470 k = 0.0898-0.0802 0.9250 ( 10850 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0109 -18.0109 -16.7279 -16.7279 -16.5451 -16.5451 -6.1546 -6.1546 -5.4679 -5.4679 -5.0906 -5.0906 -4.2804 -4.2804 -4.1351 -4.1351 -3.6332 -3.6332 -2.1568 -2.1568 -1.7896 -1.7896 -0.4541 -0.4541 -0.3642 -0.3642 -0.2821 -0.2821 0.2164 0.2164 7.3592 7.3592 7.4074 7.4074 9.6160 9.6160 10.3805 10.3805 k = 0.0770-0.0687 0.9250 ( 10848 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0102 -18.0102 -16.7281 -16.7281 -16.5461 -16.5461 -6.1430 -6.1430 -5.4779 -5.4779 -5.0765 -5.0765 -4.2833 -4.2833 -4.1414 -4.1414 -3.6385 -3.6385 -2.1546 -2.1546 -1.7839 -1.7839 -0.4579 -0.4579 -0.3708 -0.3708 -0.2920 -0.2920 0.2102 0.2102 7.3577 7.3577 7.4139 7.4139 9.6847 9.6847 10.4108 10.4108 k = 0.0642-0.0573 0.9250 ( 10842 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0097 -18.0097 -16.7283 -16.7283 -16.5469 -16.5469 -6.1327 -6.1327 -5.4868 -5.4868 -5.0642 -5.0642 -4.2858 -4.2858 -4.1467 -4.1467 -3.6432 -3.6432 -2.1527 -2.1527 -1.7789 -1.7789 -0.4611 -0.4611 -0.3764 -0.3764 -0.3005 -0.3005 0.2049 0.2049 7.3565 7.3565 7.4195 7.4195 9.7462 9.7462 10.4376 10.4379 k = 0.0513-0.0458 0.9250 ( 10840 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0092 -18.0092 -16.7285 -16.7285 -16.5476 -16.5476 -6.1239 -6.1239 -5.4944 -5.4944 -5.0540 -5.0540 -4.2878 -4.2878 -4.1511 -4.1511 -3.6472 -3.6472 -2.1511 -2.1511 -1.7748 -1.7748 -0.4637 -0.4637 -0.3811 -0.3811 -0.3075 -0.3075 0.2004 0.2004 7.3555 7.3555 7.4242 7.4242 9.7990 9.7990 10.4515 10.4515 k = 0.0385-0.0344 0.9250 ( 10832 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0088 -18.0088 -16.7286 -16.7286 -16.5482 -16.5482 -6.1168 -6.1168 -5.5005 -5.5005 -5.0458 -5.0458 -4.2894 -4.2894 -4.1546 -4.1546 -3.6505 -3.6505 -2.1498 -2.1498 -1.7716 -1.7716 -0.4658 -0.4658 -0.3847 -0.3847 -0.3131 -0.3131 0.1969 0.1969 7.3548 7.3548 7.4278 7.4278 9.8417 9.8417 10.4593 10.4593 k = 0.0257-0.0229 0.9250 ( 10830 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0086 -18.0086 -16.7287 -16.7287 -16.5486 -16.5486 -6.1117 -6.1117 -5.5050 -5.5050 -5.0400 -5.0400 -4.2906 -4.2906 -4.1570 -4.1570 -3.6528 -3.6528 -2.1489 -2.1489 -1.7693 -1.7693 -0.4673 -0.4673 -0.3873 -0.3873 -0.3170 -0.3170 0.1944 0.1944 7.3542 7.3542 7.4304 7.4304 9.8732 9.8732 10.4649 10.4650 k = 0.0128-0.0115 0.9250 ( 10828 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0084 -18.0084 -16.7288 -16.7288 -16.5488 -16.5488 -6.1085 -6.1085 -5.5078 -5.5078 -5.0364 -5.0364 -4.2913 -4.2913 -4.1585 -4.1585 -3.6543 -3.6543 -2.1484 -2.1484 -1.7678 -1.7678 -0.4682 -0.4682 -0.3889 -0.3889 -0.3194 -0.3194 0.1928 0.1928 7.3539 7.3539 7.4319 7.4319 9.8925 9.8925 10.4683 10.4683 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3005 -18.3005 -18.0083 -18.0083 -16.7288 -16.7288 -16.5489 -16.5489 -6.1075 -6.1075 -5.5087 -5.5087 -5.0352 -5.0352 -4.2915 -4.2915 -4.1590 -4.1590 -3.6548 -3.6548 -2.1482 -2.1482 -1.7674 -1.7674 -0.4685 -0.4685 -0.3894 -0.3894 -0.3202 -0.3202 0.1923 0.1923 7.3538 7.3538 7.4325 7.4325 9.8990 9.8990 10.4695 10.4695 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -41.7482 -41.7482 -41.7216 -41.7216 -18.3005 -18.3005 -18.0083 -18.0083 -16.7288 -16.7288 -16.5489 -16.5489 -6.1075 -6.1075 -5.5087 -5.5087 -5.0352 -5.0352 -4.2915 -4.2915 -4.1590 -4.1590 -3.6548 -3.6548 -2.1482 -2.1482 -1.7674 -1.7674 -0.4685 -0.4685 -0.3894 -0.3894 -0.3202 -0.3202 0.1923 0.1923 7.3538 7.3538 7.4325 7.4325 9.8990 9.8990 10.4695 10.4695 k = 0.0116 0.0130 0.9250 ( 10822 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3005 -18.3005 -18.0084 -18.0084 -16.7287 -16.7287 -16.5491 -16.5491 -6.1082 -6.1082 -5.5083 -5.5083 -5.0358 -5.0358 -4.2903 -4.2903 -4.1588 -4.1588 -3.6547 -3.6547 -2.1478 -2.1478 -1.7679 -1.7679 -0.4709 -0.4709 -0.3888 -0.3888 -0.3177 -0.3177 0.1921 0.1921 7.3491 7.3491 7.4372 7.4372 9.8998 9.8998 10.4520 10.4521 k = 0.0232 0.0260 0.9250 ( 10832 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3004 -18.3004 -18.0086 -18.0086 -16.7284 -16.7284 -16.5495 -16.5495 -6.1102 -6.1102 -5.5069 -5.5069 -5.0375 -5.0375 -4.2866 -4.2866 -4.1581 -4.1581 -3.6544 -3.6544 -2.1468 -2.1468 -1.7695 -1.7695 -0.4779 -0.4779 -0.3869 -0.3869 -0.3104 -0.3104 0.1913 0.1913 7.3371 7.3371 7.4492 7.4492 9.9021 9.9021 10.4152 10.4152 k = 0.0348 0.0390 0.9250 ( 10829 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3004 -18.3004 -18.0089 -18.0089 -16.7279 -16.7279 -16.5501 -16.5501 -6.1137 -6.1137 -5.5047 -5.5047 -5.0404 -5.0404 -4.2807 -4.2807 -4.1570 -4.1570 -3.6539 -3.6539 -2.1450 -2.1450 -1.7721 -1.7721 -0.4882 -0.4882 -0.3837 -0.3837 -0.2997 -0.2997 0.1901 0.1901 7.3214 7.3214 7.4650 7.4650 9.9058 9.9058 10.3663 10.3663 k = 0.0464 0.0521 0.9250 ( 10833 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3004 -18.3004 -18.0093 -18.0093 -16.7272 -16.7272 -16.5511 -16.5511 -6.1184 -6.1184 -5.5016 -5.5016 -5.0444 -5.0444 -4.2726 -4.2726 -4.1554 -4.1554 -3.6532 -3.6532 -2.1426 -2.1426 -1.7756 -1.7756 -0.5008 -0.5008 -0.3790 -0.3790 -0.2867 -0.2867 0.1883 0.1883 7.3036 7.3036 7.4829 7.4829 9.9109 9.9109 10.3070 10.3070 k = 0.0581 0.0651 0.9250 ( 10836 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3004 -18.3004 -18.0098 -18.0098 -16.7263 -16.7263 -16.5523 -16.5523 -6.1244 -6.1244 -5.4977 -5.4977 -5.0494 -5.0494 -4.2624 -4.2624 -4.1533 -4.1533 -3.6523 -3.6523 -2.1394 -2.1394 -1.7802 -1.7802 -0.5148 -0.5148 -0.3729 -0.3729 -0.2722 -0.2722 0.1861 0.1861 7.2847 7.2847 7.5021 7.5021 9.9171 9.9171 10.2385 10.2385 k = 0.0697 0.0781 0.9250 ( 10834 PWs) bands (ev): -41.7483 -41.7483 -41.7216 -41.7216 -18.3004 -18.3004 -18.0105 -18.0105 -16.7253 -16.7253 -16.5537 -16.5537 -6.1316 -6.1316 -5.4929 -5.4929 -5.0552 -5.0552 -4.2505 -4.2505 -4.1506 -4.1506 -3.6512 -3.6512 -2.1357 -2.1357 -1.7856 -1.7856 -0.5295 -0.5295 -0.3656 -0.3656 -0.2569 -0.2569 0.1835 0.1835 7.2649 7.2649 7.5222 7.5222 9.9243 9.9243 10.1623 10.1623 k = 0.0813 0.0911 0.9250 ( 10838 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0113 -18.0113 -16.7241 -16.7241 -16.5554 -16.5554 -6.1398 -6.1398 -5.4873 -5.4873 -5.0619 -5.0619 -4.2372 -4.2372 -4.1472 -4.1472 -3.6500 -3.6500 -2.1313 -2.1313 -1.7919 -1.7919 -0.5444 -0.5444 -0.3571 -0.3571 -0.2411 -0.2411 0.1804 0.1804 7.2445 7.2445 7.5431 7.5431 9.9321 9.9321 10.0797 10.0797 k = 0.0929 0.1041 0.9250 ( 10837 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0121 -18.0121 -16.7227 -16.7227 -16.5573 -16.5573 -6.1491 -6.1491 -5.4809 -5.4809 -5.0694 -5.0694 -4.2228 -4.2228 -4.1429 -4.1429 -3.6486 -3.6486 -2.1263 -2.1263 -1.7989 -1.7989 -0.5593 -0.5593 -0.3475 -0.3475 -0.2251 -0.2251 0.1769 0.1769 7.2236 7.2236 7.5648 7.5648 9.9403 9.9403 9.9922 9.9922 k = 0.1045 0.1171 0.9250 ( 10831 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0131 -18.0131 -16.7212 -16.7212 -16.5594 -16.5594 -6.1592 -6.1592 -5.4738 -5.4738 -5.0775 -5.0775 -4.2079 -4.2079 -4.1374 -4.1374 -3.6470 -3.6470 -2.1208 -2.1208 -1.8067 -1.8067 -0.5738 -0.5738 -0.3368 -0.3368 -0.2092 -0.2092 0.1731 0.1731 7.2022 7.2022 7.5871 7.5871 9.9006 9.9006 9.9490 9.9490 k = 0.1161 0.1301 0.9250 ( 10829 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0142 -18.0142 -16.7196 -16.7196 -16.5617 -16.5617 -6.1701 -6.1701 -5.4659 -5.4659 -5.0861 -5.0861 -4.1933 -4.1933 -4.1300 -4.1300 -3.6453 -3.6453 -2.1147 -2.1147 -1.8151 -1.8151 -0.5877 -0.5877 -0.3253 -0.3253 -0.1934 -0.1934 0.1689 0.1689 7.1806 7.1806 7.6099 7.6099 9.8067 9.8067 9.9570 9.9570 k = 0.1277 0.1431 0.9250 ( 10847 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0153 -18.0153 -16.7179 -16.7179 -16.5641 -16.5641 -6.1816 -6.1816 -5.4573 -5.4573 -5.0953 -5.0953 -4.1799 -4.1799 -4.1201 -4.1201 -3.6435 -3.6435 -2.1082 -2.1082 -1.8240 -1.8240 -0.6010 -0.6010 -0.3131 -0.3131 -0.1778 -0.1778 0.1645 0.1645 7.1587 7.1587 7.6333 7.6333 9.7110 9.7110 9.9646 9.9646 k = 0.1393 0.1562 0.9250 ( 10841 PWs) bands (ev): -41.7483 -41.7483 -41.7217 -41.7217 -18.3004 -18.3004 -18.0166 -18.0166 -16.7161 -16.7161 -16.5667 -16.5667 -6.1936 -6.1936 -5.4481 -5.4481 -5.1049 -5.1049 -4.1685 -4.1685 -4.1071 -4.1071 -3.6416 -3.6416 -2.1012 -2.1012 -1.8334 -1.8334 -0.6133 -0.6133 -0.3002 -0.3002 -0.1626 -0.1626 0.1599 0.1599 7.1367 7.1367 7.6571 7.6571 9.6144 9.6144 9.9713 9.9713 k = 0.1509 0.1692 0.9250 ( 10851 PWs) bands (ev): -41.7484 -41.7484 -41.7218 -41.7218 -18.3005 -18.3005 -18.0179 -18.0179 -16.7143 -16.7143 -16.5694 -16.5694 -6.2061 -6.2061 -5.4384 -5.4384 -5.1149 -5.1149 -4.1593 -4.1593 -4.0909 -4.0909 -3.6396 -3.6396 -2.0938 -2.0938 -1.8432 -1.8432 -0.6246 -0.6246 -0.2868 -0.2868 -0.1476 -0.1476 0.1551 0.1551 7.1147 7.1147 7.6812 7.6812 9.5175 9.5175 9.9767 9.9767 k = 0.1625 0.1822 0.9250 ( 10844 PWs) bands (ev): -41.7484 -41.7484 -41.7218 -41.7218 -18.3006 -18.3006 -18.0193 -18.0193 -16.7125 -16.7125 -16.5722 -16.5722 -6.2188 -6.2188 -5.4280 -5.4280 -5.1252 -5.1252 -4.1519 -4.1519 -4.0723 -4.0723 -3.6376 -3.6376 -2.0861 -2.0861 -1.8534 -1.8534 -0.6348 -0.6348 -0.2730 -0.2730 -0.1331 -0.1331 0.1502 0.1502 7.0929 7.0929 7.7056 7.7056 9.4210 9.4210 9.9805 9.9805 k = 0.1742 0.1952 0.9250 ( 10850 PWs) bands (ev): -41.7484 -41.7484 -41.7218 -41.7218 -18.3007 -18.3007 -18.0208 -18.0208 -16.7107 -16.7107 -16.5750 -16.5750 -6.2317 -6.2317 -5.4172 -5.4172 -5.1357 -5.1357 -4.1457 -4.1457 -4.0520 -4.0520 -3.6355 -3.6355 -2.0781 -2.0781 -1.8638 -1.8638 -0.6437 -0.6437 -0.2591 -0.2591 -0.1190 -0.1190 0.1453 0.1453 7.0712 7.0712 7.7300 7.7300 9.3253 9.3253 9.9823 9.9823 k = 0.1858 0.2082 0.9250 ( 10846 PWs) bands (ev): -41.7484 -41.7484 -41.7218 -41.7218 -18.3008 -18.3008 -18.0224 -18.0224 -16.7090 -16.7090 -16.5778 -16.5778 -6.2447 -6.2447 -5.4059 -5.4059 -5.1465 -5.1465 -4.1402 -4.1402 -4.0305 -4.0305 -3.6333 -3.6333 -2.0698 -2.0698 -1.8743 -1.8743 -0.6514 -0.6514 -0.2451 -0.2451 -0.1053 -0.1053 0.1406 0.1406 7.0500 7.0500 7.7544 7.7544 9.2307 9.2307 9.9819 9.9819 k = 0.1974 0.2212 0.9250 ( 10846 PWs) bands (ev): -41.7484 -41.7484 -41.7219 -41.7219 -18.3010 -18.3010 -18.0240 -18.0240 -16.7074 -16.7074 -16.5806 -16.5806 -6.2576 -6.2576 -5.3943 -5.3943 -5.1575 -5.1575 -4.1352 -4.1352 -4.0084 -4.0084 -3.6312 -3.6312 -2.0613 -2.0613 -1.8850 -1.8850 -0.6577 -0.6577 -0.2312 -0.2312 -0.0920 -0.0920 0.1361 0.1361 7.0292 7.0292 7.7786 7.7786 9.1378 9.1378 9.9789 9.9789 k = 0.2090 0.2342 0.9250 ( 10845 PWs) bands (ev): -41.7484 -41.7484 -41.7219 -41.7219 -18.3013 -18.3013 -18.0256 -18.0256 -16.7059 -16.7059 -16.5832 -16.5832 -6.2703 -6.2703 -5.3824 -5.3824 -5.1686 -5.1686 -4.1305 -4.1305 -3.9859 -3.9859 -3.6290 -3.6290 -2.0526 -2.0526 -1.8957 -1.8957 -0.6625 -0.6625 -0.2176 -0.2176 -0.0793 -0.0793 0.1320 0.1320 7.0090 7.0090 7.8025 7.8025 9.0468 9.0468 9.9730 9.9730 k = 0.2206 0.2472 0.9250 ( 10847 PWs) bands (ev): -41.7485 -41.7485 -41.7219 -41.7219 -18.3016 -18.3016 -18.0273 -18.0273 -16.7047 -16.7047 -16.5857 -16.5857 -6.2827 -6.2827 -5.3702 -5.3702 -5.1798 -5.1798 -4.1261 -4.1261 -3.9632 -3.9632 -3.6269 -3.6269 -2.0438 -2.0438 -1.9064 -1.9064 -0.6659 -0.6659 -0.2045 -0.2045 -0.0669 -0.0669 0.1284 0.1284 6.9895 6.9895 7.8260 7.8260 8.9580 8.9580 9.9639 9.9639 k = 0.2322 0.2603 0.9250 ( 10847 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3019 -18.3019 -18.0290 -18.0290 -16.7039 -16.7039 -16.5879 -16.5879 -6.2948 -6.2948 -5.3579 -5.3579 -5.1911 -5.1911 -4.1220 -4.1220 -3.9405 -3.9405 -3.6249 -3.6249 -2.0349 -2.0349 -1.9170 -1.9170 -0.6677 -0.6677 -0.1920 -0.1920 -0.0551 -0.0551 0.1255 0.1255 6.9709 6.9709 7.8489 7.8489 8.8716 8.8716 9.9514 9.9514 k = 0.2438 0.2733 0.9250 ( 10845 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3023 -18.3023 -18.0308 -18.0308 -16.7033 -16.7033 -16.5898 -16.5898 -6.3064 -6.3064 -5.3454 -5.3454 -5.2024 -5.2024 -4.1180 -4.1180 -3.9181 -3.9181 -3.6229 -3.6229 -2.0259 -2.0259 -1.9275 -1.9275 -0.6681 -0.6681 -0.1806 -0.1806 -0.0437 -0.0437 0.1236 0.1236 6.9531 6.9531 7.8711 7.8711 8.7878 8.7878 9.9354 9.9354 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0325 -18.0325 -16.7032 -16.7032 -16.5913 -16.5913 -6.3174 -6.3174 -5.3330 -5.3330 -5.2136 -5.2136 -4.1142 -4.1142 -3.8959 -3.8959 -3.6210 -3.6210 -2.0169 -2.0169 -1.9377 -1.9377 -0.6669 -0.6669 -0.1702 -0.1702 -0.0328 -0.0328 0.1228 0.1228 6.9364 6.9364 7.8924 7.8924 8.7069 8.7069 9.9156 9.9156 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0325 -18.0325 -16.7032 -16.7032 -16.5913 -16.5913 -6.3174 -6.3174 -5.3330 -5.3330 -5.2136 -5.2136 -4.1142 -4.1142 -3.8959 -3.8959 -3.6210 -3.6210 -2.0169 -2.0169 -1.9377 -1.9377 -0.6669 -0.6669 -0.1702 -0.1702 -0.0328 -0.0328 0.1228 0.1228 6.9364 6.9364 7.8924 7.8924 8.7069 8.7069 9.9156 9.9156 k = 0.2658 0.2979 0.9176 ( 10859 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0332 -18.0332 -16.7015 -16.7015 -16.5905 -16.5905 -6.3318 -6.3318 -5.3229 -5.3229 -5.2318 -5.2318 -4.1147 -4.1147 -3.8779 -3.8779 -3.6210 -3.6210 -2.0142 -2.0142 -1.9561 -1.9561 -0.6581 -0.6581 -0.1545 -0.1545 -0.0185 -0.0185 0.1281 0.1281 6.9319 6.9319 7.9027 7.9027 8.6322 8.6322 9.8878 9.8878 k = 0.2761 0.3095 0.9102 ( 10861 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0338 -18.0338 -16.7003 -16.7003 -16.5891 -16.5891 -6.3457 -6.3457 -5.3130 -5.3130 -5.2502 -5.2502 -4.1153 -4.1153 -3.8604 -3.8604 -3.6213 -3.6213 -2.0116 -2.0116 -1.9742 -1.9742 -0.6478 -0.6478 -0.1404 -0.1404 -0.0046 -0.0046 0.1354 0.1354 6.9276 6.9276 7.9117 7.9117 8.5596 8.5596 9.8565 9.8565 k = 0.2865 0.3210 0.9027 ( 10861 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0344 -18.0344 -16.6997 -16.6997 -16.5871 -16.5871 -6.3591 -6.3591 -5.3034 -5.3034 -5.2686 -5.2686 -4.1160 -4.1160 -3.8435 -3.8435 -3.6217 -3.6217 -2.0092 -2.0092 -1.9920 -1.9920 -0.6359 -0.6359 -0.1282 -0.1282 0.0089 0.0089 0.1446 0.1446 6.9237 6.9237 7.9192 7.9192 8.4893 8.4893 9.8220 9.8220 k = 0.2968 0.3326 0.8953 ( 10854 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3029 -18.3029 -18.0350 -18.0350 -16.6996 -16.6996 -16.5844 -16.5844 -6.3718 -6.3718 -5.2957 -5.2957 -5.2856 -5.2856 -4.1168 -4.1168 -3.8273 -3.8273 -3.6222 -3.6222 -2.0095 -2.0095 -2.0069 -2.0069 -0.6227 -0.6227 -0.1179 -0.1179 0.0220 0.0220 0.1558 0.1558 6.9204 6.9204 7.9249 7.9249 8.4214 8.4214 9.7851 9.7851 k = 0.3071 0.3442 0.8879 ( 10852 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3031 -18.3031 -18.0356 -18.0356 -16.7001 -16.7001 -16.5812 -16.5812 -6.3839 -6.3839 -5.3078 -5.3078 -5.2832 -5.2832 -4.1176 -4.1176 -3.8118 -3.8118 -3.6230 -3.6230 -2.0266 -2.0266 -2.0049 -2.0049 -0.6081 -0.6081 -0.1093 -0.1093 0.0346 0.0346 0.1688 0.1688 6.9177 6.9177 7.9288 7.9288 8.3560 8.3560 9.7465 9.7465 k = 0.3175 0.3558 0.8805 ( 10848 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3033 -18.3033 -18.0361 -18.0361 -16.7009 -16.7009 -16.5776 -16.5776 -6.3952 -6.3952 -5.3264 -5.3264 -5.2747 -5.2747 -4.1184 -4.1184 -3.7970 -3.7970 -3.6238 -3.6238 -2.0433 -2.0433 -2.0031 -2.0031 -0.5924 -0.5924 -0.1025 -0.1025 0.0467 0.0467 0.1834 0.1834 6.9157 6.9157 7.9306 7.9306 8.2932 8.2932 9.7070 9.7070 k = 0.3278 0.3674 0.8731 ( 10852 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3036 -18.3036 -18.0366 -18.0366 -16.7022 -16.7022 -16.5735 -16.5735 -6.4059 -6.4059 -5.3452 -5.3452 -5.2662 -5.2662 -4.1192 -4.1192 -3.7830 -3.7830 -3.6249 -3.6249 -2.0595 -2.0595 -2.0014 -2.0014 -0.5756 -0.5756 -0.0971 -0.0971 0.0582 0.0582 0.1993 0.1993 6.9146 6.9146 7.9301 7.9301 8.2332 8.2332 9.6673 9.6673 k = 0.3382 0.3790 0.8656 ( 10844 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3038 -18.3038 -18.0370 -18.0370 -16.7037 -16.7037 -16.5692 -16.5692 -6.4158 -6.4158 -5.3640 -5.3640 -5.2580 -5.2580 -4.1200 -4.1200 -3.7699 -3.7699 -3.6260 -3.6260 -2.0751 -2.0751 -1.9998 -1.9998 -0.5578 -0.5578 -0.0930 -0.0930 0.0690 0.0690 0.2161 0.2161 6.9143 6.9143 7.9274 7.9274 8.1760 8.1760 9.6280 9.6280 k = 0.3485 0.3906 0.8582 ( 10840 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3042 -18.3042 -18.0374 -18.0374 -16.7055 -16.7055 -16.5647 -16.5647 -6.4250 -6.4250 -5.3825 -5.3825 -5.2502 -5.2502 -4.1208 -4.1208 -3.7576 -3.7576 -3.6273 -3.6273 -2.0902 -2.0902 -1.9984 -1.9984 -0.5393 -0.5393 -0.0899 -0.0899 0.0793 0.0793 0.2337 0.2337 6.9149 6.9149 7.9224 7.9224 8.1217 8.1217 9.5896 9.5896 k = 0.3588 0.4022 0.8508 ( 10836 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3045 -18.3045 -18.0377 -18.0377 -16.7074 -16.7074 -16.5600 -16.5600 -6.4335 -6.4335 -5.4008 -5.4008 -5.2429 -5.2429 -4.1216 -4.1216 -3.7463 -3.7463 -3.6287 -3.6287 -2.1046 -2.1046 -1.9972 -1.9972 -0.5202 -0.5202 -0.0876 -0.0876 0.0889 0.0889 0.2516 0.2516 6.9165 6.9165 7.9150 7.9150 8.0704 8.0704 9.5526 9.5526 k = 0.3692 0.4138 0.8434 ( 10841 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3049 -18.3049 -18.0381 -18.0381 -16.7094 -16.7094 -16.5552 -16.5552 -6.4412 -6.4412 -5.4187 -5.4187 -5.2361 -5.2361 -4.1223 -4.1223 -3.7358 -3.7358 -3.6302 -3.6302 -2.1184 -2.1184 -1.9961 -1.9961 -0.5006 -0.5006 -0.0859 -0.0859 0.0977 0.0977 0.2696 0.2696 6.9191 6.9191 7.9052 7.9052 8.0221 8.0221 9.5173 9.5173 k = 0.3795 0.4254 0.8360 ( 10833 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3053 -18.3053 -18.0383 -18.0383 -16.7114 -16.7114 -16.5505 -16.5505 -6.4482 -6.4482 -5.4360 -5.4360 -5.2298 -5.2298 -4.1231 -4.1231 -3.7263 -3.7263 -3.6318 -3.6318 -2.1316 -2.1316 -1.9951 -1.9951 -0.4807 -0.4807 -0.0846 -0.0846 0.1058 0.1058 0.2875 0.2875 6.9228 6.9228 7.8932 7.8932 7.9770 7.9770 9.4840 9.4840 k = 0.3899 0.4369 0.8285 ( 10839 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3057 -18.3057 -18.0385 -18.0385 -16.7135 -16.7135 -16.5458 -16.5458 -6.4544 -6.4544 -5.4528 -5.4528 -5.2240 -5.2240 -4.1238 -4.1238 -3.7177 -3.7177 -3.6334 -3.6334 -2.1440 -2.1440 -1.9942 -1.9942 -0.4607 -0.4607 -0.0835 -0.0835 0.1132 0.1132 0.3050 0.3050 6.9275 6.9275 7.8790 7.8790 7.9350 7.9350 9.4530 9.4530 k = 0.4002 0.4485 0.8211 ( 10840 PWs) bands (ev): -41.7484 -41.7484 -41.7220 -41.7220 -18.3062 -18.3062 -18.0387 -18.0387 -16.7154 -16.7154 -16.5412 -16.5412 -6.4600 -6.4600 -5.4689 -5.4689 -5.2188 -5.2188 -4.1245 -4.1245 -3.7100 -3.7100 -3.6351 -3.6351 -2.1557 -2.1557 -1.9935 -1.9935 -0.4406 -0.4406 -0.0826 -0.0826 0.1199 0.1199 0.3221 0.3221 6.9333 6.9333 7.8627 7.8627 7.8963 7.8963 9.4244 9.4244 k = 0.7446-0.1720 0.6472 ( 10845 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3028 -18.3028 -18.0325 -18.0325 -16.7032 -16.7032 -16.5913 -16.5913 -6.3174 -6.3174 -5.3330 -5.3330 -5.2136 -5.2136 -4.1142 -4.1142 -3.8959 -3.8959 -3.6210 -3.6210 -2.0169 -2.0169 -1.9377 -1.9377 -0.6669 -0.6669 -0.1702 -0.1702 -0.0328 -0.0328 0.1228 0.1228 6.9364 6.9364 7.8924 7.8924 8.7069 8.7069 9.9156 9.9156 k = 0.7406-0.1765 0.6309 ( 10845 PWs) bands (ev): -41.7486 -41.7486 -41.7221 -41.7221 -18.3043 -18.3043 -18.0352 -18.0352 -16.7081 -16.7081 -16.5957 -16.5957 -6.3092 -6.3092 -5.3269 -5.3269 -5.1990 -5.1990 -4.1046 -4.1046 -3.8850 -3.8850 -3.6169 -3.6169 -2.0016 -2.0016 -1.9201 -1.9201 -0.6799 -0.6799 -0.1840 -0.1840 -0.0397 -0.0397 0.1124 0.1124 6.9099 6.9099 7.9149 7.9149 8.6903 8.6903 9.9206 9.9206 k = 0.7366-0.1810 0.6147 ( 10849 PWs) bands (ev): -41.7487 -41.7487 -41.7222 -41.7222 -18.3063 -18.3063 -18.0381 -18.0381 -16.7134 -16.7134 -16.6004 -16.6004 -6.2997 -6.2997 -5.3210 -5.3210 -5.1826 -5.1826 -4.0946 -4.0946 -3.8738 -3.8738 -3.6129 -3.6129 -1.9845 -1.9845 -1.9012 -1.9012 -0.6929 -0.6929 -0.1982 -0.1982 -0.0465 -0.0465 0.1019 0.1019 6.8838 6.8838 7.9341 7.9341 8.6738 8.6738 9.9219 9.9219 k = 0.7326-0.1855 0.5984 ( 10849 PWs) bands (ev): -41.7488 -41.7488 -41.7223 -41.7223 -18.3086 -18.3086 -18.0412 -18.0412 -16.7192 -16.7192 -16.6054 -16.6054 -6.2889 -6.2889 -5.3152 -5.3152 -5.1646 -5.1646 -4.0842 -4.0842 -3.8620 -3.8620 -3.6090 -3.6090 -1.9658 -1.9658 -1.8809 -1.8809 -0.7059 -0.7059 -0.2128 -0.2128 -0.0533 -0.0533 0.0912 0.0912 6.8581 6.8581 7.9502 7.9502 8.6572 8.6572 9.9191 9.9191 k = 0.7286-0.1900 0.5822 ( 10852 PWs) bands (ev): -41.7489 -41.7489 -41.7225 -41.7225 -18.3113 -18.3113 -18.0444 -18.0444 -16.7254 -16.7254 -16.6107 -16.6107 -6.2769 -6.2769 -5.3097 -5.3097 -5.1449 -5.1449 -4.0733 -4.0733 -3.8498 -3.8498 -3.6052 -3.6052 -1.9455 -1.9455 -1.8594 -1.8594 -0.7188 -0.7188 -0.2277 -0.2277 -0.0599 -0.0599 0.0804 0.0804 6.8326 6.8326 7.9630 7.9630 8.6403 8.6403 9.9120 9.9120 k = 0.7245-0.1945 0.5659 ( 10855 PWs) bands (ev): -41.7491 -41.7491 -41.7226 -41.7226 -18.3143 -18.3143 -18.0478 -18.0478 -16.7320 -16.7320 -16.6161 -16.6161 -6.2638 -6.2638 -5.3044 -5.3044 -5.1238 -5.1238 -4.0621 -4.0621 -3.8370 -3.8370 -3.6015 -3.6015 -1.9236 -1.9236 -1.8366 -1.8366 -0.7315 -0.7315 -0.2429 -0.2429 -0.0664 -0.0664 0.0695 0.0695 6.8070 6.8070 7.9726 7.9726 8.6233 8.6233 9.9009 9.9009 k = 0.7205-0.1990 0.5496 ( 10850 PWs) bands (ev): -41.7492 -41.7492 -41.7227 -41.7227 -18.3176 -18.3176 -18.0514 -18.0514 -16.7389 -16.7389 -16.6218 -16.6218 -6.2498 -6.2498 -5.2993 -5.2993 -5.1014 -5.1014 -4.0504 -4.0504 -3.8236 -3.8236 -3.5979 -3.5979 -1.9003 -1.9003 -1.8127 -1.8127 -0.7440 -0.7440 -0.2584 -0.2584 -0.0727 -0.0727 0.0585 0.0585 6.7813 6.7813 7.9788 7.9788 8.6059 8.6059 9.8864 9.8864 k = 0.7165-0.2034 0.5334 ( 10848 PWs) bands (ev): -41.7494 -41.7494 -41.7229 -41.7229 -18.3213 -18.3213 -18.0551 -18.0551 -16.7462 -16.7462 -16.6277 -16.6277 -6.2348 -6.2348 -5.2944 -5.2944 -5.0777 -5.0777 -4.0382 -4.0382 -3.8096 -3.8096 -3.5943 -3.5943 -1.8754 -1.8754 -1.7876 -1.7876 -0.7562 -0.7562 -0.2742 -0.2742 -0.0789 -0.0789 0.0475 0.0475 6.7554 6.7554 7.9818 7.9818 8.5881 8.5881 9.8694 9.8694 k = 0.7125-0.2079 0.5171 ( 10856 PWs) bands (ev): -41.7495 -41.7495 -41.7230 -41.7230 -18.3252 -18.3252 -18.0589 -18.0589 -16.7538 -16.7538 -16.6337 -16.6337 -6.2191 -6.2191 -5.2897 -5.2897 -5.0531 -5.0531 -4.0257 -4.0257 -3.7949 -3.7949 -3.5909 -3.5909 -1.8492 -1.8492 -1.7614 -1.7614 -0.7680 -0.7680 -0.2903 -0.2903 -0.0849 -0.0849 0.0364 0.0364 6.7289 6.7289 7.9813 7.9813 8.5699 8.5699 9.8510 9.8510 k = 0.7085-0.2124 0.5009 ( 10861 PWs) bands (ev): -41.7497 -41.7497 -41.7232 -41.7232 -18.3294 -18.3294 -18.0628 -18.0628 -16.7618 -16.7618 -16.6399 -16.6399 -6.2028 -6.2028 -5.2853 -5.2853 -5.0275 -5.0275 -4.0127 -4.0127 -3.7795 -3.7795 -3.5875 -3.5875 -1.8217 -1.8217 -1.7342 -1.7342 -0.7794 -0.7794 -0.3066 -0.3066 -0.0908 -0.0908 0.0253 0.0253 6.7018 6.7018 7.9773 7.9773 8.5512 8.5512 9.8322 9.8322 k = 0.7045-0.2169 0.4846 ( 10844 PWs) bands (ev): -41.7498 -41.7498 -41.7233 -41.7233 -18.3339 -18.3339 -18.0668 -18.0668 -16.7699 -16.7699 -16.6462 -16.6462 -6.1859 -6.1859 -5.2810 -5.2810 -5.0013 -5.0013 -3.9993 -3.9993 -3.7633 -3.7633 -3.5842 -3.5842 -1.7929 -1.7929 -1.7061 -1.7061 -0.7903 -0.7903 -0.3231 -0.3231 -0.0964 -0.0964 0.0143 0.0143 6.6740 6.6740 7.9698 7.9698 8.5320 8.5320 9.8141 9.8141 k = 0.7005-0.2214 0.4683 ( 10838 PWs) bands (ev): -41.7500 -41.7500 -41.7235 -41.7235 -18.3386 -18.3386 -18.0710 -18.0710 -16.7783 -16.7783 -16.6525 -16.6525 -6.1686 -6.1686 -5.2770 -5.2770 -4.9745 -4.9745 -3.9855 -3.9855 -3.7464 -3.7464 -3.5810 -3.5810 -1.7631 -1.7631 -1.6770 -1.6770 -0.8007 -0.8007 -0.3397 -0.3397 -0.1017 -0.1017 0.0034 0.0034 6.6453 6.6453 7.9588 7.9588 8.5122 8.5122 9.7973 9.7973 k = 0.6965-0.2259 0.4521 ( 10842 PWs) bands (ev): -41.7502 -41.7502 -41.7237 -41.7237 -18.3434 -18.3434 -18.0751 -18.0751 -16.7869 -16.7869 -16.6590 -16.6590 -6.1511 -6.1511 -5.2731 -5.2731 -4.9473 -4.9473 -3.9712 -3.9712 -3.7286 -3.7286 -3.5779 -3.5779 -1.7322 -1.7322 -1.6471 -1.6471 -0.8105 -0.8105 -0.3566 -0.3566 -0.1068 -0.1068 -0.0075 -0.0075 6.6156 6.6156 7.9441 7.9441 8.4918 8.4918 9.7826 9.7826 k = 0.6925-0.2304 0.4358 ( 10836 PWs) bands (ev): -41.7504 -41.7504 -41.7239 -41.7239 -18.3485 -18.3485 -18.0794 -18.0794 -16.7957 -16.7957 -16.6654 -16.6654 -6.1333 -6.1333 -5.2695 -5.2695 -4.9200 -4.9200 -3.9564 -3.9564 -3.7099 -3.7099 -3.5750 -3.5750 -1.7003 -1.7003 -1.6164 -1.6164 -0.8196 -0.8196 -0.3735 -0.3735 -0.1116 -0.1116 -0.0183 -0.0183 6.5848 6.5848 7.9260 7.9260 8.4709 8.4709 9.7705 9.7705 k = 0.6885-0.2349 0.4196 ( 10838 PWs) bands (ev): -41.7506 -41.7506 -41.7241 -41.7241 -18.3537 -18.3537 -18.0837 -18.0837 -16.8046 -16.8046 -16.6719 -16.6719 -6.1155 -6.1155 -5.2661 -5.2661 -4.8927 -4.8927 -3.9411 -3.9411 -3.6904 -3.6904 -3.5721 -3.5721 -1.6676 -1.6676 -1.5851 -1.5851 -0.8280 -0.8280 -0.3906 -0.3906 -0.1161 -0.1161 -0.0288 -0.0288 6.5529 6.5529 7.9044 7.9044 8.4494 8.4494 9.7611 9.7611 k = 0.6845-0.2393 0.4033 ( 10833 PWs) bands (ev): -41.7507 -41.7507 -41.7242 -41.7242 -18.3590 -18.3590 -18.0880 -18.0880 -16.8136 -16.8136 -16.6783 -16.6783 -6.0978 -6.0978 -5.2628 -5.2628 -4.8656 -4.8656 -3.9253 -3.9253 -3.6701 -3.6701 -3.5692 -3.5692 -1.6343 -1.6343 -1.5531 -1.5531 -0.8356 -0.8356 -0.4077 -0.4077 -0.1203 -0.1203 -0.0392 -0.0392 6.5197 6.5197 7.8795 7.8795 8.4273 8.4273 9.7549 9.7549 k = 0.6805-0.2438 0.3871 ( 10837 PWs) bands (ev): -41.7509 -41.7509 -41.7244 -41.7244 -18.3644 -18.3644 -18.0923 -18.0923 -16.8226 -16.8226 -16.6848 -16.6848 -6.0801 -6.0801 -5.2598 -5.2598 -4.8389 -4.8389 -3.9090 -3.9090 -3.6490 -3.6490 -3.5665 -3.5665 -1.6003 -1.6003 -1.5206 -1.5206 -0.8424 -0.8424 -0.4250 -0.4250 -0.1241 -0.1241 -0.0494 -0.0494 6.4853 6.4853 7.8515 7.8515 8.4046 8.4046 9.7516 9.7516 k = 0.6765-0.2483 0.3708 ( 10827 PWs) bands (ev): -41.7511 -41.7511 -41.7246 -41.7246 -18.3699 -18.3699 -18.0966 -18.0966 -16.8317 -16.8317 -16.6911 -16.6911 -6.0628 -6.0628 -5.2569 -5.2569 -4.8127 -4.8127 -3.8922 -3.8922 -3.6271 -3.6271 -3.5639 -3.5639 -1.5660 -1.5660 -1.4877 -1.4877 -0.8483 -0.8483 -0.4422 -0.4422 -0.1275 -0.1275 -0.0593 -0.0593 6.4497 6.4497 7.8206 7.8206 8.3815 8.3815 9.7514 9.7514 k = 0.6725-0.2528 0.3545 ( 10826 PWs) bands (ev): -41.7513 -41.7513 -41.7248 -41.7248 -18.3755 -18.3755 -18.1009 -18.1009 -16.8408 -16.8408 -16.6974 -16.6974 -6.0457 -6.0457 -5.2543 -5.2543 -4.7873 -4.7873 -3.8748 -3.8748 -3.6045 -3.6045 -3.5613 -3.5613 -1.5313 -1.5313 -1.4544 -1.4544 -0.8532 -0.8532 -0.4595 -0.4595 -0.1306 -0.1306 -0.0689 -0.0689 6.4130 6.4130 7.7871 7.7871 8.3579 8.3579 9.7539 9.7539 k = 0.6685-0.2573 0.3383 ( 10835 PWs) bands (ev): -41.7515 -41.7515 -41.7250 -41.7250 -18.3810 -18.3810 -18.1052 -18.1052 -16.8498 -16.8498 -16.7036 -16.7036 -6.0291 -6.0291 -5.2518 -5.2518 -4.7628 -4.7628 -3.8569 -3.8569 -3.5814 -3.5814 -3.5587 -3.5587 -1.4965 -1.4965 -1.4209 -1.4209 -0.8572 -0.8572 -0.4767 -0.4767 -0.1332 -0.1332 -0.0782 -0.0782 6.3751 6.3751 7.7513 7.7513 8.3339 8.3339 9.7589 9.7589 k = 0.6645-0.2618 0.3220 ( 10835 PWs) bands (ev): -41.7517 -41.7517 -41.7252 -41.7252 -18.3866 -18.3866 -18.1094 -18.1094 -16.8587 -16.8587 -16.7097 -16.7097 -6.0130 -6.0130 -5.2495 -5.2495 -4.7393 -4.7393 -3.8384 -3.8384 -3.5602 -3.5602 -3.5539 -3.5539 -1.4617 -1.4617 -1.3873 -1.3873 -0.8601 -0.8601 -0.4940 -0.4940 -0.1354 -0.1354 -0.0872 -0.0872 6.3362 6.3362 7.7135 7.7135 8.3096 8.3096 9.7659 9.7659 k = 0.6605-0.2663 0.3058 ( 10833 PWs) bands (ev): -41.7519 -41.7519 -41.7253 -41.7253 -18.3921 -18.3921 -18.1136 -18.1136 -16.8676 -16.8676 -16.7156 -16.7156 -5.9974 -5.9974 -5.2473 -5.2473 -4.7170 -4.7170 -3.8194 -3.8194 -3.5552 -3.5552 -3.5325 -3.5325 -1.4271 -1.4271 -1.3536 -1.3536 -0.8620 -0.8620 -0.5111 -0.5111 -0.1372 -0.1372 -0.0958 -0.0958 6.2965 6.2965 7.6741 7.6741 8.2850 8.2850 9.7744 9.7744 k = 0.6565-0.2708 0.2895 ( 10839 PWs) bands (ev): -41.7521 -41.7521 -41.7255 -41.7255 -18.3976 -18.3976 -18.1176 -18.1176 -16.8762 -16.8762 -16.7213 -16.7213 -5.9825 -5.9825 -5.2453 -5.2453 -4.6960 -4.6960 -3.8001 -3.8001 -3.5529 -3.5529 -3.5081 -3.5081 -1.3928 -1.3928 -1.3200 -1.3200 -0.8627 -0.8627 -0.5283 -0.5283 -0.1386 -0.1386 -0.1039 -0.1039 6.2561 6.2561 7.6334 7.6334 8.2602 8.2602 9.7837 9.7837 k = 0.6525-0.2752 0.2732 ( 10839 PWs) bands (ev): -41.7522 -41.7522 -41.7257 -41.7257 -18.4030 -18.4030 -18.1216 -18.1216 -16.8847 -16.8847 -16.7269 -16.7269 -5.9682 -5.9682 -5.2434 -5.2434 -4.6763 -4.6763 -3.7803 -3.7803 -3.5509 -3.5509 -3.4834 -3.4834 -1.3591 -1.3591 -1.2866 -1.2866 -0.8624 -0.8624 -0.5453 -0.5453 -0.1395 -0.1395 -0.1116 -0.1116 6.2152 6.2152 7.5919 7.5919 8.2354 8.2354 9.7930 9.7930 k = 0.6485-0.2797 0.2570 ( 10839 PWs) bands (ev): -41.7524 -41.7524 -41.7259 -41.7259 -18.4083 -18.4083 -18.1255 -18.1255 -16.8930 -16.8930 -16.7322 -16.7322 -5.9546 -5.9546 -5.2416 -5.2416 -4.6580 -4.6580 -3.7603 -3.7603 -3.5490 -3.5490 -3.4586 -3.4586 -1.3262 -1.3262 -1.2534 -1.2534 -0.8608 -0.8608 -0.5623 -0.5623 -0.1400 -0.1400 -0.1188 -0.1188 6.1741 6.1741 7.5498 7.5498 8.2106 8.2106 9.8010 9.8010 k = 0.6445-0.2842 0.2407 ( 10835 PWs) bands (ev): -41.7526 -41.7526 -41.7260 -41.7260 -18.4134 -18.4134 -18.1293 -18.1293 -16.9011 -16.9011 -16.7374 -16.7374 -5.9418 -5.9418 -5.2399 -5.2399 -4.6412 -4.6412 -3.7401 -3.7401 -3.5472 -3.5472 -3.4340 -3.4340 -1.2941 -1.2941 -1.2207 -1.2207 -0.8581 -0.8581 -0.5792 -0.5792 -0.1401 -0.1401 -0.1255 -0.1255 6.1329 6.1329 7.5076 7.5076 8.1859 8.1859 9.8062 9.8062 k = 0.6405-0.2887 0.2245 ( 10831 PWs) bands (ev): -41.7527 -41.7527 -41.7262 -41.7262 -18.4185 -18.4185 -18.1329 -18.1329 -16.9089 -16.9089 -16.7423 -16.7423 -5.9297 -5.9297 -5.2384 -5.2384 -4.6258 -4.6258 -3.7199 -3.7199 -3.5456 -3.5456 -3.4095 -3.4095 -1.2632 -1.2632 -1.1885 -1.1885 -0.8541 -0.8541 -0.5959 -0.5959 -0.1399 -0.1399 -0.1316 -0.1316 6.0919 6.0919 7.4657 7.4657 8.1615 8.1615 9.8070 9.8070 k = 0.6365-0.2932 0.2082 ( 10836 PWs) bands (ev): -41.7529 -41.7529 -41.7264 -41.7264 -18.4233 -18.4233 -18.1364 -18.1364 -16.9164 -16.9164 -16.7469 -16.7469 -5.9184 -5.9184 -5.2369 -5.2369 -4.6119 -4.6119 -3.6998 -3.6998 -3.5440 -3.5440 -3.3855 -3.3855 -1.2336 -1.2336 -1.1570 -1.1570 -0.8489 -0.8489 -0.6125 -0.6125 -0.1400 -0.1400 -0.1362 -0.1362 6.0514 6.0514 7.4243 7.4243 8.1374 8.1374 9.8018 9.8018 k = 0.6325-0.2977 0.1919 ( 10830 PWs) bands (ev): -41.7531 -41.7531 -41.7265 -41.7265 -18.4280 -18.4280 -18.1398 -18.1398 -16.9235 -16.9235 -16.7513 -16.7513 -5.9080 -5.9080 -5.2355 -5.2355 -4.5994 -4.5994 -3.6800 -3.6800 -3.5426 -3.5426 -3.3621 -3.3621 -1.2054 -1.2054 -1.1262 -1.1262 -0.8426 -0.8426 -0.6289 -0.6289 -0.1433 -0.1433 -0.1368 -0.1368 6.0118 6.0118 7.3839 7.3839 8.1138 8.1138 9.7903 9.7903 k = 0.6284-0.3022 0.1757 ( 10825 PWs) bands (ev): -41.7532 -41.7532 -41.7266 -41.7266 -18.4324 -18.4324 -18.1429 -18.1429 -16.9304 -16.9304 -16.7554 -16.7554 -5.8983 -5.8983 -5.2342 -5.2342 -4.5883 -4.5883 -3.6607 -3.6607 -3.5413 -3.5413 -3.3395 -3.3395 -1.1790 -1.1790 -1.0964 -1.0964 -0.8350 -0.8350 -0.6450 -0.6450 -0.1475 -0.1475 -0.1354 -0.1354 5.9733 5.9733 7.3447 7.3447 8.0908 8.0908 9.7732 9.7732 k = 0.6244-0.3067 0.1594 ( 10821 PWs) bands (ev): -41.7533 -41.7533 -41.7268 -41.7268 -18.4366 -18.4366 -18.1459 -18.1459 -16.9368 -16.9368 -16.7592 -16.7592 -5.8894 -5.8894 -5.2329 -5.2329 -4.5785 -4.5785 -3.6420 -3.6420 -3.5401 -3.5401 -3.3177 -3.3177 -1.1543 -1.1543 -1.0676 -1.0676 -0.8264 -0.8264 -0.6609 -0.6609 -0.1513 -0.1513 -0.1334 -0.1334 5.9363 5.9363 7.3071 7.3071 8.0685 8.0685 9.7520 9.7520 k = 0.6204-0.3111 0.1432 ( 10817 PWs) bands (ev): -41.7535 -41.7535 -41.7269 -41.7269 -18.4406 -18.4406 -18.1487 -18.1487 -16.9429 -16.9429 -16.7628 -16.7628 -5.8814 -5.8814 -5.2316 -5.2316 -4.5700 -4.5700 -3.6241 -3.6241 -3.5391 -3.5391 -3.2970 -3.2970 -1.1316 -1.1316 -1.0402 -1.0402 -0.8167 -0.8167 -0.6765 -0.6765 -0.1546 -0.1546 -0.1311 -0.1311 5.9009 5.9009 7.2715 7.2715 8.0471 8.0471 9.7281 9.7281 k = 0.6164-0.3156 0.1269 ( 10819 PWs) bands (ev): -41.7536 -41.7536 -41.7270 -41.7270 -18.4443 -18.4443 -18.1514 -18.1514 -16.9485 -16.9485 -16.7659 -16.7659 -5.8742 -5.8742 -5.2304 -5.2304 -4.5628 -4.5628 -3.6071 -3.6071 -3.5381 -3.5381 -3.2776 -3.2776 -1.1110 -1.1110 -1.0142 -1.0142 -0.8062 -0.8062 -0.6915 -0.6915 -0.1572 -0.1572 -0.1285 -0.1285 5.8677 5.8677 7.2380 7.2380 8.0265 8.0265 9.7025 9.7025 k = 0.6124-0.3201 0.1107 ( 10829 PWs) bands (ev): -41.7537 -41.7537 -41.7271 -41.7271 -18.4478 -18.4478 -18.1538 -18.1538 -16.9537 -16.9537 -16.7688 -16.7688 -5.8678 -5.8678 -5.2292 -5.2292 -4.5568 -4.5568 -3.5913 -3.5913 -3.5373 -3.5373 -3.2595 -3.2595 -1.0924 -1.0924 -0.9901 -0.9901 -0.7950 -0.7950 -0.7058 -0.7058 -0.1591 -0.1591 -0.1256 -0.1256 5.8368 5.8368 7.2070 7.2070 8.0071 8.0071 9.6758 9.6758 k = 0.6084-0.3246 0.0944 ( 10838 PWs) bands (ev): -41.7538 -41.7538 -41.7272 -41.7272 -18.4509 -18.4509 -18.1560 -18.1560 -16.9585 -16.9585 -16.7713 -16.7713 -5.8622 -5.8622 -5.2280 -5.2280 -4.5519 -4.5519 -3.5768 -3.5768 -3.5366 -3.5366 -3.2429 -3.2429 -1.0759 -1.0759 -0.9682 -0.9682 -0.7833 -0.7833 -0.7190 -0.7190 -0.1604 -0.1604 -0.1224 -0.1224 5.8086 5.8086 7.1789 7.1789 7.9887 7.9887 9.6485 9.6485 k = 0.6044-0.3291 0.0781 ( 10832 PWs) bands (ev): -41.7539 -41.7539 -41.7273 -41.7273 -18.4538 -18.4538 -18.1579 -18.1579 -16.9628 -16.9628 -16.7735 -16.7735 -5.8574 -5.8574 -5.2268 -5.2268 -4.5481 -4.5481 -3.5636 -3.5636 -3.5360 -3.5360 -3.2279 -3.2279 -1.0615 -1.0615 -0.9491 -0.9491 -0.7713 -0.7713 -0.7306 -0.7306 -0.1610 -0.1610 -0.1191 -0.1191 5.7834 5.7834 7.1537 7.1537 7.9717 7.9717 9.6209 9.6209 k = 0.6004-0.3336 0.0619 ( 10830 PWs) bands (ev): -41.7540 -41.7540 -41.7274 -41.7274 -18.4563 -18.4563 -18.1597 -18.1597 -16.9666 -16.9666 -16.7753 -16.7753 -5.8534 -5.8534 -5.2256 -5.2256 -4.5453 -4.5453 -3.5520 -3.5520 -3.5355 -3.5355 -3.2146 -3.2146 -1.0491 -1.0491 -0.9337 -0.9337 -0.7594 -0.7594 -0.7397 -0.7397 -0.1610 -0.1610 -0.1156 -0.1156 5.7613 5.7613 7.1318 7.1318 7.9559 7.9559 9.5933 9.5933 k = 0.5964-0.3381 0.0456 ( 10823 PWs) bands (ev): -41.7540 -41.7540 -41.7275 -41.7275 -18.4585 -18.4585 -18.1612 -18.1612 -16.9699 -16.9699 -16.7768 -16.7768 -5.8502 -5.8502 -5.2243 -5.2243 -4.5435 -4.5435 -3.5421 -3.5421 -3.5352 -3.5352 -3.2031 -3.2031 -1.0388 -1.0388 -0.9230 -0.9230 -0.7493 -0.7493 -0.7440 -0.7440 -0.1604 -0.1604 -0.1120 -0.1120 5.7427 5.7427 7.1133 7.1133 7.9415 7.9415 9.5658 9.5658 k = 0.5924-0.3426 0.0294 ( 10829 PWs) bands (ev): -41.7541 -41.7541 -41.7275 -41.7275 -18.4603 -18.4603 -18.1625 -18.1625 -16.9727 -16.9727 -16.7778 -16.7778 -5.8477 -5.8477 -5.2231 -5.2231 -4.5426 -4.5426 -3.5350 -3.5350 -3.5338 -3.5338 -3.1935 -3.1935 -1.0304 -1.0304 -0.9179 -0.9179 -0.7483 -0.7483 -0.7352 -0.7352 -0.1591 -0.1591 -0.1083 -0.1083 5.7278 5.7278 7.0985 7.0985 7.9286 7.9286 9.5386 9.5386 k = 0.5884-0.3470 0.0131 ( 10824 PWs) bands (ev): -41.7541 -41.7541 -41.7276 -41.7276 -18.4619 -18.4619 -18.1635 -18.1635 -16.9750 -16.9750 -16.7786 -16.7786 -5.8461 -5.8461 -5.2218 -5.2218 -4.5427 -4.5427 -3.5349 -3.5349 -3.5275 -3.5275 -3.1858 -3.1858 -1.0240 -1.0240 -0.9189 -0.9189 -0.7452 -0.7452 -0.7245 -0.7245 -0.1572 -0.1572 -0.1046 -0.1046 5.7167 5.7167 7.0875 7.0875 7.9172 7.9172 9.5117 9.5117 k = 0.5844-0.3515-0.0032 ( 10824 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4630 -18.4630 -18.1643 -18.1643 -16.9768 -16.9768 -16.7789 -16.7789 -5.8452 -5.8452 -5.2204 -5.2204 -4.5436 -4.5436 -3.5349 -3.5349 -3.5230 -3.5230 -3.1800 -3.1800 -1.0195 -1.0195 -0.9254 -0.9254 -0.7381 -0.7381 -0.7144 -0.7144 -0.1547 -0.1547 -0.1009 -0.1009 5.7095 5.7095 7.0804 7.0804 7.9073 7.9073 9.4852 9.4852 k = 0.5804-0.3560-0.0194 ( 10815 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4639 -18.4639 -18.1649 -18.1649 -16.9781 -16.9781 -16.7788 -16.7788 -5.8451 -5.8451 -5.2190 -5.2190 -4.5454 -4.5454 -3.5350 -3.5350 -3.5204 -3.5204 -3.1763 -3.1763 -1.0169 -1.0169 -0.9364 -0.9364 -0.7281 -0.7281 -0.7050 -0.7050 -0.1516 -0.1516 -0.0972 -0.0972 5.7065 5.7065 7.0773 7.0773 7.8989 7.8989 9.4591 9.4591 k = 0.5764-0.3605-0.0357 ( 10825 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4643 -18.4643 -18.1652 -18.1652 -16.9788 -16.9788 -16.7784 -16.7784 -5.8458 -5.8458 -5.2176 -5.2176 -4.5481 -4.5481 -3.5352 -3.5352 -3.5198 -3.5198 -3.1745 -3.1745 -1.0162 -1.0162 -0.9509 -0.9509 -0.7163 -0.7163 -0.6965 -0.6965 -0.1479 -0.1479 -0.0935 -0.0935 5.7076 5.7076 7.0784 7.0784 7.8921 7.8921 9.4336 9.4336 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4644 -18.4644 -18.1653 -18.1653 -16.9790 -16.9790 -16.7776 -16.7776 -5.8472 -5.8472 -5.2162 -5.2162 -4.5516 -4.5516 -3.5356 -3.5356 -3.5212 -3.5212 -3.1747 -3.1747 -1.0174 -1.0174 -0.9681 -0.9681 -0.7037 -0.7037 -0.6885 -0.6885 -0.1437 -0.1437 -0.0899 -0.0899 5.7129 5.7129 7.0835 7.0835 7.8867 7.8867 9.4086 9.4086 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4644 -18.4644 -18.1653 -18.1653 -16.9790 -16.9790 -16.7776 -16.7776 -5.8472 -5.8472 -5.2162 -5.2162 -4.5516 -4.5516 -3.5356 -3.5356 -3.5212 -3.5212 -3.1747 -3.1747 -1.0174 -1.0174 -0.9681 -0.9681 -0.7037 -0.7037 -0.6885 -0.6885 -0.1437 -0.1437 -0.0899 -0.0899 5.7129 5.7129 7.0835 7.0835 7.8867 7.8867 9.4086 9.4086 k = 0.5620-0.3766-0.0445 ( 10827 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4630 -18.4630 -18.1661 -18.1661 -16.9754 -16.9754 -16.7829 -16.7829 -5.8503 -5.8503 -5.2066 -5.2066 -4.5499 -4.5499 -3.5313 -3.5313 -3.5226 -3.5226 -3.1708 -3.1708 -1.0038 -1.0038 -0.9541 -0.9541 -0.7189 -0.7189 -0.7076 -0.7076 -0.1589 -0.1589 -0.0944 -0.0944 5.7182 5.7182 7.1176 7.1176 7.8705 7.8705 9.4057 9.4057 k = 0.5517-0.3882-0.0371 ( 10831 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4618 -18.4618 -18.1668 -18.1668 -16.9720 -16.9720 -16.7877 -16.7877 -5.8528 -5.8528 -5.1984 -5.1984 -4.5486 -4.5486 -3.5276 -3.5276 -3.5238 -3.5238 -3.1674 -3.1674 -0.9903 -0.9903 -0.9407 -0.9407 -0.7339 -0.7339 -0.7248 -0.7248 -0.1721 -0.1721 -0.0983 -0.0983 5.7224 5.7224 7.1478 7.1478 7.8566 7.8566 9.4038 9.4038 k = 0.5414-0.3998-0.0297 ( 10840 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4608 -18.4608 -18.1674 -18.1674 -16.9689 -16.9689 -16.7918 -16.7918 -5.8549 -5.8549 -5.1916 -5.1916 -4.5475 -4.5475 -3.5251 -3.5251 -3.5243 -3.5243 -3.1646 -3.1646 -0.9772 -0.9772 -0.9284 -0.9284 -0.7490 -0.7490 -0.7392 -0.7392 -0.1833 -0.1833 -0.1017 -0.1017 5.7257 5.7257 7.1736 7.1736 7.8453 7.8453 9.4027 9.4027 k = 0.5310-0.4114-0.0223 ( 10852 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4600 -18.4600 -18.1679 -18.1679 -16.9664 -16.9664 -16.7952 -16.7952 -5.8565 -5.8565 -5.1863 -5.1863 -4.5466 -4.5466 -3.5257 -3.5257 -3.5221 -3.5221 -3.1624 -3.1624 -0.9653 -0.9653 -0.9175 -0.9175 -0.7631 -0.7631 -0.7508 -0.7508 -0.1922 -0.1922 -0.1044 -0.1044 5.7282 5.7282 7.1943 7.1943 7.8365 7.8365 9.4021 9.4021 k = 0.5207-0.4229-0.0148 ( 10858 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4594 -18.4594 -18.1682 -18.1682 -16.9644 -16.9644 -16.7978 -16.7978 -5.8576 -5.8576 -5.1825 -5.1825 -4.5460 -4.5460 -3.5262 -3.5262 -3.5204 -3.5204 -3.1608 -3.1608 -0.9554 -0.9554 -0.9088 -0.9088 -0.7747 -0.7747 -0.7598 -0.7598 -0.1987 -0.1987 -0.1064 -0.1064 5.7299 5.7299 7.2094 7.2094 7.8302 7.8302 9.4020 9.4020 k = 0.5103-0.4345-0.0074 ( 10860 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4591 -18.4591 -18.1684 -18.1684 -16.9632 -16.9632 -16.7994 -16.7994 -5.8583 -5.8583 -5.1802 -5.1802 -4.5457 -4.5457 -3.5265 -3.5265 -3.5194 -3.5194 -3.1599 -3.1599 -0.9487 -0.9487 -0.9031 -0.9031 -0.7824 -0.7824 -0.7656 -0.7656 -0.2027 -0.2027 -0.1076 -0.1076 5.7309 5.7309 7.2186 7.2186 7.8264 7.8264 9.4021 9.4021 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4590 -18.4590 -18.1685 -18.1685 -16.9628 -16.9628 -16.7999 -16.7999 -5.8586 -5.8586 -5.1794 -5.1794 -4.5456 -4.5456 -3.5266 -3.5266 -3.5190 -3.5190 -3.1595 -3.1595 -0.9463 -0.9463 -0.9011 -0.9011 -0.7851 -0.7851 -0.7677 -0.7677 -0.2040 -0.2040 -0.1080 -0.1080 5.7312 5.7312 7.2217 7.2217 7.8251 7.8251 9.4021 9.4021 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4590 -18.4590 -18.1685 -18.1685 -16.9628 -16.9628 -16.7999 -16.7999 -5.8586 -5.8586 -5.1794 -5.1794 -4.5456 -4.5456 -3.5266 -3.5266 -3.5190 -3.5190 -3.1595 -3.1595 -0.9463 -0.9463 -0.9011 -0.9011 -0.7851 -0.7851 -0.7677 -0.7677 -0.2040 -0.2040 -0.1080 -0.1080 5.7312 5.7312 7.2217 7.2217 7.8251 7.8251 9.4021 9.4021 k = 0.4872-0.4347 0.0000 ( 10866 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4592 -18.4592 -18.1684 -18.1684 -16.9628 -16.9628 -16.7998 -16.7998 -5.8586 -5.8586 -5.1799 -5.1799 -4.5460 -4.5460 -3.5331 -3.5331 -3.5130 -3.5130 -3.1596 -3.1596 -0.9473 -0.9473 -0.9014 -0.9014 -0.7922 -0.7922 -0.7588 -0.7588 -0.2033 -0.2033 -0.1064 -0.1064 5.7285 5.7285 7.2211 7.2211 7.8267 7.8267 9.4043 9.4043 k = 0.4744-0.4232 0.0000 ( 10862 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4599 -18.4599 -18.1680 -18.1680 -16.9626 -16.9626 -16.7994 -16.7994 -5.8585 -5.8585 -5.1815 -5.1815 -4.5473 -4.5473 -3.5427 -3.5427 -3.5047 -3.5047 -3.1599 -3.1599 -0.9505 -0.9505 -0.9024 -0.9024 -0.8023 -0.8023 -0.7429 -0.7429 -0.2010 -0.2010 -0.1018 -0.1018 5.7202 5.7202 7.2192 7.2192 7.8315 7.8315 9.4107 9.4107 k = 0.4615-0.4118 0.0000 ( 10866 PWs) bands (ev): -41.7542 -41.7542 -41.7277 -41.7277 -18.4610 -18.4610 -18.1673 -18.1673 -16.9624 -16.9624 -16.7987 -16.7987 -5.8585 -5.8585 -5.1840 -5.1840 -4.5495 -4.5495 -3.5528 -3.5528 -3.4968 -3.4968 -3.1603 -3.1603 -0.9555 -0.9555 -0.9041 -0.9041 -0.8111 -0.8111 -0.7247 -0.7247 -0.1972 -0.1972 -0.0943 -0.0943 5.7065 5.7065 7.2161 7.2161 7.8394 7.8394 9.4215 9.4215 k = 0.4487-0.4004 0.0000 ( 10858 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4625 -18.4625 -18.1664 -18.1664 -16.9621 -16.9621 -16.7977 -16.7977 -5.8585 -5.8585 -5.1876 -5.1876 -4.5525 -4.5525 -3.5632 -3.5632 -3.4893 -3.4893 -3.1609 -3.1609 -0.9622 -0.9622 -0.9065 -0.9065 -0.8180 -0.8180 -0.7048 -0.7048 -0.1919 -0.1919 -0.0840 -0.0840 5.6876 5.6876 7.2118 7.2118 7.8504 7.8504 9.4363 9.4363 k = 0.4359-0.3889 0.0000 ( 10852 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4644 -18.4644 -18.1653 -18.1653 -16.9617 -16.9617 -16.7965 -16.7965 -5.8584 -5.8584 -5.1922 -5.1922 -4.5563 -4.5563 -3.5738 -3.5738 -3.4824 -3.4824 -3.1617 -3.1617 -0.9704 -0.9704 -0.9097 -0.9097 -0.8228 -0.8228 -0.6834 -0.6834 -0.1850 -0.1850 -0.0713 -0.0713 5.6637 5.6637 7.2063 7.2063 7.8644 7.8644 9.4551 9.4551 k = 0.4231-0.3775 0.0000 ( 10858 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4667 -18.4667 -18.1639 -18.1639 -16.9613 -16.9613 -16.7950 -16.7950 -5.8583 -5.8583 -5.1978 -5.1978 -4.5608 -4.5608 -3.5847 -3.5847 -3.4762 -3.4762 -3.1626 -3.1626 -0.9798 -0.9798 -0.9137 -0.9137 -0.8253 -0.8253 -0.6606 -0.6606 -0.1766 -0.1766 -0.0565 -0.0565 5.6351 5.6351 7.1995 7.1995 7.8813 7.8813 9.4777 9.4777 k = 0.4103-0.3661 0.0000 ( 10856 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4693 -18.4693 -18.1624 -18.1624 -16.9607 -16.9607 -16.7933 -16.7933 -5.8582 -5.8582 -5.2043 -5.2043 -4.5662 -4.5662 -3.5956 -3.5956 -3.4706 -3.4706 -3.1636 -3.1636 -0.9901 -0.9901 -0.9184 -0.9184 -0.8256 -0.8256 -0.6367 -0.6367 -0.1667 -0.1667 -0.0398 -0.0398 5.6021 5.6021 7.1917 7.1917 7.9011 7.9011 9.5037 9.5037 k = 0.3974-0.3546 0.0000 ( 10848 PWs) bands (ev): -41.7542 -41.7542 -41.7276 -41.7276 -18.4723 -18.4723 -18.1607 -18.1607 -16.9601 -16.9601 -16.7914 -16.7914 -5.8580 -5.8580 -5.2117 -5.2117 -4.5722 -4.5722 -3.6067 -3.6067 -3.4656 -3.4656 -3.1648 -3.1648 -1.0013 -1.0013 -0.9238 -0.9238 -0.8237 -0.8237 -0.6118 -0.6118 -0.1554 -0.1554 -0.0215 -0.0215 5.5650 5.5650 7.1827 7.1827 7.9237 7.9237 9.5330 9.5330 k = 0.3846-0.3432 0.0000 ( 10851 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4756 -18.4756 -18.1588 -18.1588 -16.9595 -16.9595 -16.7892 -16.7892 -5.8578 -5.8578 -5.2200 -5.2200 -4.5788 -4.5788 -3.6177 -3.6177 -3.4614 -3.4614 -3.1661 -3.1661 -1.0130 -1.0130 -0.9298 -0.9298 -0.8195 -0.8195 -0.5861 -0.5861 -0.1427 -0.1427 -0.0018 -0.0018 5.5242 5.5242 7.1726 7.1726 7.9489 7.9489 9.5653 9.5653 k = 0.3718-0.3317 0.0000 ( 10857 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4791 -18.4791 -18.1568 -18.1568 -16.9587 -16.9587 -16.7869 -16.7869 -5.8575 -5.8575 -5.2291 -5.2291 -4.5861 -4.5861 -3.6288 -3.6288 -3.4578 -3.4578 -3.1676 -3.1676 -1.0251 -1.0251 -0.9363 -0.9363 -0.8130 -0.8130 -0.5596 -0.5596 -0.1288 -0.1288 0.0188 0.0188 5.4801 5.4801 7.1616 7.1616 7.9768 7.9768 9.6001 9.6001 k = 0.3590-0.3203 0.0000 ( 10871 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4829 -18.4829 -18.1546 -18.1546 -16.9579 -16.9579 -16.7843 -16.7843 -5.8571 -5.8571 -5.2390 -5.2390 -4.5938 -4.5938 -3.6398 -3.6398 -3.4550 -3.4550 -3.1691 -3.1691 -1.0375 -1.0375 -0.9432 -0.9432 -0.8044 -0.8044 -0.5325 -0.5325 -0.1138 -0.1138 0.0403 0.0403 5.4331 5.4331 7.1495 7.1495 8.0073 8.0073 9.6373 9.6373 k = 0.3462-0.3089 0.0000 ( 10869 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4869 -18.4869 -18.1524 -18.1524 -16.9570 -16.9570 -16.7816 -16.7816 -5.8566 -5.8566 -5.2496 -5.2496 -4.6021 -4.6021 -3.6507 -3.6507 -3.4527 -3.4527 -3.1707 -3.1707 -1.0499 -1.0499 -0.9505 -0.9505 -0.7936 -0.7936 -0.5050 -0.5050 -0.0978 -0.0978 0.0623 0.0623 5.3835 5.3835 7.1367 7.1367 8.0402 8.0402 9.6764 9.6764 k = 0.3333-0.2974 0.0000 ( 10869 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4910 -18.4910 -18.1501 -18.1501 -16.9561 -16.9561 -16.7788 -16.7788 -5.8561 -5.8561 -5.2609 -5.2609 -4.6107 -4.6107 -3.6615 -3.6615 -3.4511 -3.4511 -3.1724 -3.1724 -1.0624 -1.0624 -0.9581 -0.9581 -0.7808 -0.7808 -0.4772 -0.4772 -0.0809 -0.0809 0.0846 0.0846 5.3318 5.3318 7.1230 7.1230 8.0756 8.0756 9.7172 9.7172 k = 0.3205-0.2860 0.0000 ( 10873 PWs) bands (ev): -41.7543 -41.7543 -41.7276 -41.7276 -18.4953 -18.4953 -18.1477 -18.1477 -16.9552 -16.9552 -16.7758 -16.7758 -5.8554 -5.8554 -5.2728 -5.2728 -4.6197 -4.6197 -3.6722 -3.6722 -3.4501 -3.4501 -3.1742 -3.1742 -1.0747 -1.0747 -0.9658 -0.9658 -0.7662 -0.7662 -0.4492 -0.4492 -0.0632 -0.0632 0.1071 0.1071 5.2782 5.2782 7.1086 7.1086 8.1134 8.1134 9.7592 9.7592 k = 0.3077-0.2745 0.0000 ( 10869 PWs) bands (ev): -41.7543 -41.7543 -41.7275 -41.7275 -18.4997 -18.4997 -18.1453 -18.1453 -16.9542 -16.9542 -16.7727 -16.7727 -5.8546 -5.8546 -5.2853 -5.2853 -4.6289 -4.6289 -3.6827 -3.6827 -3.4497 -3.4497 -3.1760 -3.1760 -1.0868 -1.0868 -0.9736 -0.9736 -0.7497 -0.7497 -0.4211 -0.4211 -0.0448 -0.0448 0.1296 0.1296 5.2231 5.2231 7.0935 7.0935 8.1536 8.1536 9.8021 9.8021 k = 0.2949-0.2631 0.0000 ( 10867 PWs) bands (ev): -41.7543 -41.7543 -41.7275 -41.7275 -18.5042 -18.5042 -18.1429 -18.1429 -16.9532 -16.9532 -16.7696 -16.7696 -5.8536 -5.8536 -5.2982 -5.2982 -4.6384 -4.6384 -3.6930 -3.6930 -3.4497 -3.4497 -3.1778 -3.1778 -1.0986 -1.0986 -0.9814 -0.9814 -0.7317 -0.7317 -0.3930 -0.3930 -0.0258 -0.0258 0.1518 0.1518 5.1670 5.1670 7.0780 7.0780 8.1961 8.1961 9.8455 9.8455 k = 0.2821-0.2517 0.0000 ( 10857 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5086 -18.5086 -18.1404 -18.1404 -16.9521 -16.9521 -16.7663 -16.7663 -5.8525 -5.8525 -5.3116 -5.3116 -4.6480 -4.6480 -3.7031 -3.7031 -3.4502 -3.4502 -3.1797 -3.1797 -1.1100 -1.1100 -0.9893 -0.9893 -0.7122 -0.7122 -0.3651 -0.3651 -0.0064 -0.0064 0.1737 0.1737 5.1100 5.1100 7.0620 7.0620 8.2409 8.2409 9.8891 9.8891 k = 0.2692-0.2402 0.0000 ( 10857 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5131 -18.5131 -18.1380 -18.1380 -16.9510 -16.9510 -16.7630 -16.7630 -5.8511 -5.8511 -5.3254 -5.3254 -4.6577 -4.6577 -3.7130 -3.7130 -3.4512 -3.4512 -3.1815 -3.1815 -1.1211 -1.1211 -0.9970 -0.9970 -0.6915 -0.6915 -0.3374 -0.3374 0.0134 0.0134 0.1950 0.1950 5.0526 5.0526 7.0458 7.0458 8.2880 8.2880 9.9324 9.9324 k = 0.2564-0.2288 0.0000 ( 10857 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5176 -18.5176 -18.1356 -18.1356 -16.9500 -16.9500 -16.7597 -16.7597 -5.8497 -5.8497 -5.3394 -5.3394 -4.6674 -4.6674 -3.7226 -3.7226 -3.4525 -3.4525 -3.1834 -3.1834 -1.1317 -1.1317 -1.0047 -1.0047 -0.6696 -0.6696 -0.3101 -0.3101 0.0335 0.0335 0.2156 0.2156 4.9951 4.9951 7.0293 7.0293 8.3373 8.3373 9.9752 9.9752 k = 0.2436-0.2173 0.0000 ( 10847 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5221 -18.5221 -18.1333 -18.1333 -16.9489 -16.9489 -16.7564 -16.7564 -5.8480 -5.8480 -5.3537 -5.3537 -4.6770 -4.6770 -3.7318 -3.7318 -3.4540 -3.4540 -3.1852 -3.1852 -1.1418 -1.1418 -1.0122 -1.0122 -0.6470 -0.6470 -0.2832 -0.2832 0.0538 0.0538 0.2354 0.2354 4.9378 4.9378 7.0127 7.0127 8.3889 8.3889 10.0171 10.0171 k = 0.2308-0.2059 0.0000 ( 10847 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5264 -18.5264 -18.1310 -18.1310 -16.9478 -16.9478 -16.7532 -16.7532 -5.8461 -5.8461 -5.3681 -5.3681 -4.6865 -4.6865 -3.7408 -3.7408 -3.4559 -3.4559 -3.1870 -3.1870 -1.1515 -1.1515 -1.0195 -1.0195 -0.6237 -0.6237 -0.2569 -0.2569 0.0741 0.0741 0.2543 0.2543 4.8810 4.8810 6.9962 6.9962 8.4426 8.4426 10.0577 10.0577 k = 0.2179-0.1945 0.0000 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5307 -18.5307 -18.1287 -18.1287 -16.9467 -16.9467 -16.7499 -16.7499 -5.8440 -5.8440 -5.3825 -5.3825 -4.6958 -4.6958 -3.7495 -3.7495 -3.4579 -3.4579 -3.1888 -3.1888 -1.1606 -1.1606 -1.0265 -1.0265 -0.5999 -0.5999 -0.2312 -0.2312 0.0944 0.0944 0.2722 0.2722 4.8250 4.8250 6.9798 6.9798 8.4985 8.4985 10.0963 10.0963 k = 0.2051-0.1830 0.0000 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5349 -18.5349 -18.1266 -18.1266 -16.9457 -16.9457 -16.7468 -16.7468 -5.8418 -5.8418 -5.3970 -5.3970 -4.7050 -4.7050 -3.7577 -3.7577 -3.4601 -3.4601 -3.1905 -3.1905 -1.1692 -1.1692 -1.0333 -1.0333 -0.5760 -0.5760 -0.2063 -0.2063 0.1147 0.1147 0.2890 0.2890 4.7701 4.7701 6.9637 6.9637 8.5565 8.5565 10.1274 10.1274 k = 0.1923-0.1716 0.0000 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5389 -18.5389 -18.1245 -18.1245 -16.9446 -16.9446 -16.7437 -16.7437 -5.8393 -5.8393 -5.4113 -5.4113 -4.7138 -4.7138 -3.7657 -3.7657 -3.4624 -3.4624 -3.1921 -3.1921 -1.1772 -1.1772 -1.0397 -1.0397 -0.5521 -0.5521 -0.1821 -0.1821 0.1347 0.1347 0.3046 0.3046 4.7167 4.7167 6.9480 6.9480 8.6165 8.6165 10.1531 10.1531 k = 0.1795-0.1601 0.0000 ( 10857 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5427 -18.5427 -18.1225 -18.1225 -16.9437 -16.9437 -16.7407 -16.7407 -5.8366 -5.8366 -5.4255 -5.4255 -4.7223 -4.7223 -3.7732 -3.7732 -3.4648 -3.4648 -3.1937 -3.1937 -1.1847 -1.1847 -1.0459 -1.0459 -0.5285 -0.5285 -0.1588 -0.1588 0.1545 0.1545 0.3189 0.3189 4.6649 4.6649 6.9327 6.9327 8.6785 8.6785 10.1784 10.1784 k = 0.1667-0.1487 0.0000 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5464 -18.5464 -18.1207 -18.1207 -16.9427 -16.9427 -16.7378 -16.7378 -5.8338 -5.8338 -5.4394 -5.4394 -4.7305 -4.7305 -3.7802 -3.7802 -3.4671 -3.4671 -3.1952 -3.1952 -1.1916 -1.1916 -1.0517 -1.0517 -0.5054 -0.5054 -0.1365 -0.1365 0.1739 0.1739 0.3319 0.3319 4.6151 4.6151 6.9180 6.9180 8.7424 8.7424 10.2034 10.2034 k = 0.1538-0.1373 0.0000 ( 10853 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5499 -18.5499 -18.1189 -18.1189 -16.9418 -16.9418 -16.7351 -16.7351 -5.8308 -5.8308 -5.4529 -5.4529 -4.7382 -4.7382 -3.7869 -3.7869 -3.4695 -3.4695 -3.1966 -3.1966 -1.1980 -1.1980 -1.0572 -1.0572 -0.4831 -0.4831 -0.1153 -0.1153 0.1928 0.1928 0.3435 0.3435 4.5676 4.5676 6.9040 6.9040 8.8080 8.8080 10.2279 10.2279 k = 0.1410-0.1258 0.0000 ( 10859 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5531 -18.5531 -18.1173 -18.1173 -16.9409 -16.9409 -16.7325 -16.7325 -5.8276 -5.8276 -5.4660 -5.4660 -4.7454 -4.7454 -3.7931 -3.7931 -3.4717 -3.4717 -3.1979 -3.1979 -1.2039 -1.2039 -1.0622 -1.0622 -0.4617 -0.4617 -0.0952 -0.0952 0.2112 0.2112 0.3537 0.3537 4.5227 4.5227 6.8908 6.8908 8.8752 8.8752 10.2515 10.2515 k = 0.1282-0.1144 0.0000 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5562 -18.5562 -18.1157 -18.1157 -16.9401 -16.9401 -16.7301 -16.7301 -5.8244 -5.8244 -5.4786 -5.4786 -4.7522 -4.7522 -3.7988 -3.7988 -3.4739 -3.4739 -3.1991 -3.1991 -1.2092 -1.2092 -1.0669 -1.0669 -0.4414 -0.4414 -0.0764 -0.0764 0.2290 0.2290 0.3625 0.3625 4.4805 4.4805 6.8784 6.8784 8.9439 8.9439 10.2741 10.2741 k = 0.1154-0.1030 0.0000 ( 10857 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5589 -18.5589 -18.1144 -18.1144 -16.9393 -16.9393 -16.7279 -16.7279 -5.8211 -5.8211 -5.4905 -5.4905 -4.7584 -4.7584 -3.8040 -3.8040 -3.4760 -3.4760 -3.2002 -3.2002 -1.2140 -1.2140 -1.0712 -1.0712 -0.4225 -0.4225 -0.0590 -0.0590 0.2460 0.2460 0.3698 0.3698 4.4415 4.4415 6.8669 6.8669 9.0137 9.0137 10.2954 10.2954 k = 0.1026-0.0915 0.0000 ( 10847 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5615 -18.5615 -18.1131 -18.1131 -16.9386 -16.9386 -16.7259 -16.7259 -5.8178 -5.8178 -5.5016 -5.5016 -4.7640 -4.7640 -3.8087 -3.8087 -3.4779 -3.4779 -3.2012 -3.2012 -1.2183 -1.2183 -1.0751 -1.0751 -0.4051 -0.4051 -0.0430 -0.0430 0.2622 0.2622 0.3756 0.3756 4.4058 4.4058 6.8565 6.8565 9.0842 9.0842 10.3150 10.3150 k = 0.0897-0.0801 0.0000 ( 10851 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5637 -18.5637 -18.1120 -18.1120 -16.9380 -16.9380 -16.7241 -16.7241 -5.8146 -5.8146 -5.5118 -5.5118 -4.7691 -4.7691 -3.8129 -3.8129 -3.4796 -3.4796 -3.2021 -3.2021 -1.2221 -1.2221 -1.0785 -1.0785 -0.3894 -0.3894 -0.0285 -0.0285 0.2774 0.2774 0.3800 0.3800 4.3737 4.3737 6.8471 6.8471 9.1550 9.1550 10.3292 10.3292 k = 0.0769-0.0686 0.0000 ( 10849 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5657 -18.5657 -18.1110 -18.1110 -16.9375 -16.9375 -16.7225 -16.7225 -5.8115 -5.8115 -5.5211 -5.5211 -4.7735 -4.7735 -3.8165 -3.8165 -3.4812 -3.4812 -3.2029 -3.2029 -1.2253 -1.2253 -1.0815 -1.0815 -0.3756 -0.3756 -0.0158 -0.0158 0.2916 0.2916 0.3829 0.3829 4.3453 4.3453 6.8389 6.8389 9.2253 9.2253 10.3255 10.3255 k = 0.0641-0.0572 0.0000 ( 10857 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5674 -18.5674 -18.1102 -18.1102 -16.9370 -16.9370 -16.7211 -16.7211 -5.8087 -5.8087 -5.5292 -5.5292 -4.7773 -4.7773 -3.8196 -3.8196 -3.4825 -3.4825 -3.2035 -3.2035 -1.2281 -1.2281 -1.0840 -1.0840 -0.3636 -0.3636 -0.0047 -0.0047 0.3047 0.3047 0.3846 0.3846 4.3210 4.3210 6.8318 6.8318 9.2939 9.2939 10.3100 10.3100 k = 0.0513-0.0458 0.0000 ( 10859 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5688 -18.5688 -18.1095 -18.1095 -16.9366 -16.9366 -16.7200 -16.7200 -5.8062 -5.8062 -5.5361 -5.5361 -4.7804 -4.7804 -3.8222 -3.8222 -3.4836 -3.4836 -3.2041 -3.2041 -1.2303 -1.2303 -1.0861 -1.0861 -0.3537 -0.3537 0.0044 0.0044 0.3163 0.3163 0.3849 0.3849 4.3008 4.3008 6.8260 6.8260 9.3590 9.3590 10.2817 10.2817 k = 0.0385-0.0343 0.0000 ( 10865 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5698 -18.5698 -18.1089 -18.1089 -16.9363 -16.9363 -16.7191 -16.7191 -5.8042 -5.8042 -5.5416 -5.5416 -4.7829 -4.7829 -3.8242 -3.8242 -3.4845 -3.4845 -3.2045 -3.2045 -1.2320 -1.2320 -1.0877 -1.0877 -0.3459 -0.3459 0.0116 0.0116 0.3264 0.3264 0.3843 0.3843 4.2850 4.2850 6.8214 6.8214 9.4180 9.4180 10.2442 10.2442 k = 0.0256-0.0229 0.0000 ( 10861 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5706 -18.5706 -18.1086 -18.1086 -16.9361 -16.9361 -16.7185 -16.7185 -5.8027 -5.8027 -5.5456 -5.5456 -4.7846 -4.7846 -3.8256 -3.8256 -3.4851 -3.4851 -3.2048 -3.2048 -1.2332 -1.2332 -1.0889 -1.0889 -0.3403 -0.3403 0.0169 0.0169 0.3344 0.3344 0.3830 0.3830 4.2736 4.2736 6.8181 6.8181 9.4667 9.4667 10.2061 10.2061 k = 0.0128-0.0114 0.0000 ( 10877 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5711 -18.5711 -18.1083 -18.1083 -16.9360 -16.9360 -16.7181 -16.7181 -5.8017 -5.8017 -5.5480 -5.5480 -4.7857 -4.7857 -3.8265 -3.8265 -3.4855 -3.4855 -3.2050 -3.2050 -1.2340 -1.2340 -1.0896 -1.0896 -0.3370 -0.3370 0.0200 0.0200 0.3398 0.3398 0.3817 0.3817 4.2667 4.2667 6.8161 6.8161 9.4997 9.4997 10.1776 10.1776 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5712 -18.5712 -18.1083 -18.1083 -16.9359 -16.9359 -16.7180 -16.7180 -5.8014 -5.8014 -5.5488 -5.5488 -4.7860 -4.7860 -3.8268 -3.8268 -3.4856 -3.4856 -3.2051 -3.2051 -1.2342 -1.2342 -1.0898 -1.0898 -0.3358 -0.3358 0.0211 0.0211 0.3417 0.3417 0.3812 0.3812 4.2644 4.2644 6.8155 6.8155 9.5115 9.5115 10.1670 10.1670 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5712 -18.5712 -18.1083 -18.1083 -16.9359 -16.9359 -16.7180 -16.7180 -5.8014 -5.8014 -5.5488 -5.5488 -4.7860 -4.7860 -3.8268 -3.8268 -3.4856 -3.4856 -3.2051 -3.2051 -1.2342 -1.2342 -1.0898 -1.0898 -0.3358 -0.3358 0.0211 0.0211 0.3417 0.3417 0.3812 0.3812 4.2644 4.2644 6.8155 6.8155 9.5115 9.5115 10.1670 10.1670 k = 0.0167 0.0019-0.0046 ( 10870 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5711 -18.5711 -18.1083 -18.1083 -16.9362 -16.9362 -16.7179 -16.7179 -5.8011 -5.8011 -5.5488 -5.5488 -4.7856 -4.7856 -3.8264 -3.8264 -3.4855 -3.4855 -3.2052 -3.2052 -1.2340 -1.2340 -1.0898 -1.0898 -0.3360 -0.3360 0.0200 0.0200 0.3400 0.3400 0.3813 0.3813 4.2670 4.2670 6.8151 6.8151 9.5071 9.5071 10.1516 10.1516 k = 0.0333 0.0038-0.0093 ( 10861 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5706 -18.5706 -18.1085 -18.1085 -16.9368 -16.9368 -16.7177 -16.7177 -5.8004 -5.8004 -5.5485 -5.5485 -4.7844 -4.7844 -3.8255 -3.8255 -3.4853 -3.4853 -3.2055 -3.2055 -1.2334 -1.2334 -1.0900 -1.0900 -0.3363 -0.3363 0.0166 0.0166 0.3353 0.3353 0.3813 0.3813 4.2745 4.2745 6.8138 6.8138 9.4938 9.4938 10.1175 10.1175 k = 0.0500 0.0057-0.0139 ( 10861 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5699 -18.5699 -18.1089 -18.1089 -16.9379 -16.9379 -16.7174 -16.7174 -5.7992 -5.7992 -5.5482 -5.5482 -4.7823 -4.7823 -3.8239 -3.8239 -3.4848 -3.4848 -3.2060 -3.2060 -1.2324 -1.2324 -1.0902 -1.0902 -0.3369 -0.3369 0.0108 0.0108 0.3284 0.3284 0.3806 0.3806 4.2871 4.2871 6.8117 6.8117 9.4714 9.4714 10.0801 10.0801 k = 0.0667 0.0076-0.0185 ( 10869 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5689 -18.5689 -18.1094 -18.1094 -16.9394 -16.9394 -16.7169 -16.7169 -5.7975 -5.7975 -5.5477 -5.5477 -4.7795 -4.7795 -3.8217 -3.8217 -3.4842 -3.4842 -3.2068 -3.2068 -1.2309 -1.2309 -1.0906 -1.0906 -0.3376 -0.3376 0.0023 0.0023 0.3202 0.3202 0.3789 0.3789 4.3045 4.3045 6.8087 6.8087 9.4402 9.4402 10.0467 10.0467 k = 0.0833 0.0095-0.0232 ( 10860 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5676 -18.5676 -18.1101 -18.1101 -16.9412 -16.9412 -16.7163 -16.7163 -5.7954 -5.7954 -5.5470 -5.5470 -4.7759 -4.7759 -3.8189 -3.8189 -3.4834 -3.4834 -3.2077 -3.2077 -1.2290 -1.2290 -1.0910 -1.0910 -0.3385 -0.3385 -0.0093 -0.0093 0.3115 0.3115 0.3758 0.3758 4.3265 4.3265 6.8049 6.8049 9.4006 9.4006 10.0197 10.0197 k = 0.1000 0.0114-0.0278 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5660 -18.5660 -18.1109 -18.1109 -16.9434 -16.9434 -16.7157 -16.7157 -5.7929 -5.7929 -5.5461 -5.5461 -4.7715 -4.7715 -3.8156 -3.8156 -3.4823 -3.4823 -3.2089 -3.2089 -1.2267 -1.2267 -1.0915 -1.0915 -0.3394 -0.3394 -0.0243 -0.0243 0.3027 0.3027 0.3712 0.3712 4.3530 4.3530 6.8002 6.8002 9.3541 9.3541 9.9995 9.9995 k = 0.1167 0.0133-0.0324 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5642 -18.5642 -18.1118 -18.1118 -16.9460 -16.9460 -16.7149 -16.7149 -5.7901 -5.7901 -5.5451 -5.5451 -4.7663 -4.7663 -3.8118 -3.8118 -3.4811 -3.4811 -3.2102 -3.2102 -1.2239 -1.2239 -1.0921 -1.0921 -0.3403 -0.3403 -0.0428 -0.0428 0.2944 0.2944 0.3654 0.3654 4.3837 4.3837 6.7945 6.7945 9.3019 9.3019 9.9851 9.9851 k = 0.1333 0.0152-0.0370 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5621 -18.5621 -18.1129 -18.1129 -16.9488 -16.9488 -16.7141 -16.7141 -5.7871 -5.7871 -5.5439 -5.5439 -4.7605 -4.7605 -3.8075 -3.8075 -3.4797 -3.4797 -3.2117 -3.2117 -1.2207 -1.2207 -1.0928 -1.0928 -0.3412 -0.3412 -0.0650 -0.0650 0.2865 0.2865 0.3586 0.3586 4.4184 4.4184 6.7879 6.7879 9.2459 9.2459 9.9754 9.9754 k = 0.1500 0.0171-0.0417 ( 10864 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5598 -18.5598 -18.1141 -18.1141 -16.9519 -16.9519 -16.7132 -16.7132 -5.7838 -5.7838 -5.5425 -5.5425 -4.7539 -4.7539 -3.8029 -3.8029 -3.4781 -3.4781 -3.2133 -3.2133 -1.2171 -1.2171 -1.0936 -1.0936 -0.3419 -0.3419 -0.0908 -0.0908 0.2790 0.2790 0.3512 0.3512 4.4566 4.4566 6.7803 6.7803 9.1875 9.1875 9.9689 9.9689 k = 0.1667 0.0190-0.0463 ( 10865 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5573 -18.5573 -18.1154 -18.1154 -16.9552 -16.9552 -16.7123 -16.7123 -5.7804 -5.7804 -5.5410 -5.5410 -4.7468 -4.7468 -3.7979 -3.7979 -3.4763 -3.4763 -3.2151 -3.2151 -1.2129 -1.2129 -1.0944 -1.0944 -0.3424 -0.3424 -0.1199 -0.1199 0.2714 0.2714 0.3437 0.3437 4.4981 4.4981 6.7716 6.7716 9.1280 9.1280 9.9645 9.9645 k = 0.1833 0.0209-0.0509 ( 10860 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5546 -18.5546 -18.1168 -18.1168 -16.9587 -16.9587 -16.7114 -16.7114 -5.7768 -5.7768 -5.5392 -5.5392 -4.7390 -4.7390 -3.7927 -3.7927 -3.4742 -3.4742 -3.2170 -3.2170 -1.2083 -1.2083 -1.0953 -1.0953 -0.3428 -0.3428 -0.1518 -0.1518 0.2630 0.2630 0.3370 0.3370 4.5426 4.5426 6.7618 6.7618 9.0685 9.0685 9.9609 9.9609 k = 0.2000 0.0229-0.0556 ( 10857 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5518 -18.5518 -18.1183 -18.1183 -16.9622 -16.9622 -16.7104 -16.7104 -5.7733 -5.7733 -5.5374 -5.5374 -4.7306 -4.7306 -3.7873 -3.7873 -3.4719 -3.4719 -3.2190 -3.2190 -1.2032 -1.2032 -1.0962 -1.0962 -0.3431 -0.3431 -0.1860 -0.1860 0.2530 0.2530 0.3317 0.3317 4.5897 4.5897 6.7507 6.7507 9.0097 9.0097 9.9572 9.9572 k = 0.2167 0.0248-0.0602 ( 10855 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5488 -18.5488 -18.1199 -18.1199 -16.9659 -16.9659 -16.7095 -16.7095 -5.7697 -5.7697 -5.5354 -5.5354 -4.7218 -4.7218 -3.7818 -3.7818 -3.4695 -3.4695 -3.2211 -3.2211 -1.1976 -1.1976 -1.0972 -1.0972 -0.3436 -0.3436 -0.2216 -0.2216 0.2409 0.2409 0.3282 0.3282 4.6390 4.6390 6.7383 6.7383 8.9525 8.9525 9.9529 9.9529 k = 0.2333 0.0267-0.0648 ( 10857 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5457 -18.5457 -18.1215 -18.1215 -16.9696 -16.9696 -16.7086 -16.7086 -5.7662 -5.7662 -5.5332 -5.5332 -4.7126 -4.7126 -3.7762 -3.7762 -3.4668 -3.4668 -3.2233 -3.2233 -1.1915 -1.1915 -1.0981 -1.0981 -0.3453 -0.3453 -0.2571 -0.2571 0.2267 0.2267 0.3266 0.3266 4.6902 4.6902 6.7245 6.7245 8.8974 8.8974 9.9473 9.9473 k = 0.2500 0.0286-0.0695 ( 10860 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5426 -18.5426 -18.1232 -18.1232 -16.9734 -16.9734 -16.7077 -16.7077 -5.7628 -5.7628 -5.5310 -5.5310 -4.7031 -4.7031 -3.7708 -3.7708 -3.4640 -3.4640 -3.2254 -3.2254 -1.1849 -1.1849 -1.0991 -1.0991 -0.3516 -0.3516 -0.2885 -0.2885 0.2105 0.2105 0.3266 0.3266 4.7429 4.7429 6.7092 6.7092 8.8448 8.8448 9.9402 9.9402 k = 0.2667 0.0305-0.0741 ( 10864 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5394 -18.5394 -18.1250 -18.1250 -16.9771 -16.9771 -16.7068 -16.7068 -5.7595 -5.7595 -5.5288 -5.5288 -4.6933 -4.6933 -3.7654 -3.7654 -3.4609 -3.4609 -3.2276 -3.2276 -1.1778 -1.1778 -1.1001 -1.1001 -0.3704 -0.3704 -0.3076 -0.3076 0.1927 0.1927 0.3279 0.3279 4.7966 4.7966 6.6924 6.6924 8.7953 8.7953 9.9314 9.9314 k = 0.2833 0.0324-0.0787 ( 10856 PWs) bands (ev): -41.7545 -41.7545 -41.7274 -41.7274 -18.5362 -18.5362 -18.1268 -18.1268 -16.9807 -16.9807 -16.7060 -16.7060 -5.7564 -5.7564 -5.5265 -5.5265 -4.6833 -4.6833 -3.7602 -3.7602 -3.4578 -3.4578 -3.2298 -3.2298 -1.1701 -1.1701 -1.1010 -1.1010 -0.4025 -0.4025 -0.3129 -0.3129 0.1736 0.1736 0.3301 0.3301 4.8511 4.8511 6.6741 6.6741 8.7490 8.7490 9.9210 9.9210 k = 0.3000 0.0343-0.0833 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5330 -18.5330 -18.1285 -18.1285 -16.9842 -16.9842 -16.7052 -16.7052 -5.7534 -5.7534 -5.5243 -5.5243 -4.6734 -4.6734 -3.7553 -3.7553 -3.4545 -3.4545 -3.2320 -3.2320 -1.1620 -1.1620 -1.1017 -1.1017 -0.4400 -0.4400 -0.3119 -0.3119 0.1537 0.1537 0.3329 0.3329 4.9058 4.9058 6.6542 6.6542 8.7062 8.7062 9.9092 9.9092 k = 0.3167 0.0362-0.0880 ( 10852 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5300 -18.5300 -18.1303 -18.1303 -16.9876 -16.9876 -16.7045 -16.7045 -5.7507 -5.7507 -5.5221 -5.5221 -4.6635 -4.6635 -3.7506 -3.7506 -3.4512 -3.4512 -3.2341 -3.2341 -1.1534 -1.1534 -1.1023 -1.1023 -0.4791 -0.4791 -0.3081 -0.3081 0.1331 0.1331 0.3360 0.3360 4.9603 4.9603 6.6329 6.6329 8.6671 8.6671 9.8961 9.8961 k = 0.3333 0.0381-0.0926 ( 10852 PWs) bands (ev): -41.7544 -41.7544 -41.7274 -41.7274 -18.5270 -18.5270 -18.1320 -18.1320 -16.9908 -16.9908 -16.7039 -16.7039 -5.7481 -5.7481 -5.5199 -5.5199 -4.6538 -4.6538 -3.7463 -3.7463 -3.4479 -3.4479 -3.2362 -3.2362 -1.1446 -1.1446 -1.1024 -1.1024 -0.5181 -0.5181 -0.3027 -0.3027 0.1122 0.1122 0.3393 0.3393 5.0140 5.0140 6.6103 6.6103 8.6318 8.6318 9.8822 9.8822 k = 0.3500 0.0400-0.0972 ( 10851 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5241 -18.5241 -18.1336 -18.1336 -16.9937 -16.9937 -16.7033 -16.7033 -5.7458 -5.7458 -5.5180 -5.5180 -4.6445 -4.6445 -3.7424 -3.7424 -3.4446 -3.4446 -3.2381 -3.2381 -1.1360 -1.1360 -1.1018 -1.1018 -0.5563 -0.5563 -0.2962 -0.2962 0.0913 0.0913 0.3426 0.3426 5.0664 5.0664 6.5867 6.5867 8.6004 8.6004 9.8679 9.8679 k = 0.3667 0.0419-0.1019 ( 10851 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5215 -18.5215 -18.1352 -18.1352 -16.9965 -16.9965 -16.7027 -16.7027 -5.7437 -5.7437 -5.5161 -5.5161 -4.6357 -4.6357 -3.7388 -3.7388 -3.4415 -3.4415 -3.2399 -3.2399 -1.1281 -1.1281 -1.0999 -1.0999 -0.5931 -0.5931 -0.2888 -0.2888 0.0706 0.0706 0.3459 0.3459 5.1169 5.1169 6.5626 6.5626 8.5728 8.5728 9.8535 9.8535 k = 0.3833 0.0438-0.1065 ( 10852 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5190 -18.5190 -18.1366 -18.1366 -16.9990 -16.9990 -16.7022 -16.7022 -5.7418 -5.7418 -5.5145 -5.5145 -4.6275 -4.6275 -3.7357 -3.7357 -3.4384 -3.4384 -3.2416 -3.2416 -1.1223 -1.1223 -1.0955 -1.0955 -0.6280 -0.6280 -0.2807 -0.2807 0.0505 0.0505 0.3489 0.3489 5.1647 5.1647 6.5383 6.5383 8.5489 8.5489 9.8396 9.8396 k = 0.4000 0.0457-0.1111 ( 10852 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5168 -18.5168 -18.1379 -18.1379 -17.0012 -17.0012 -16.7018 -16.7018 -5.7402 -5.7402 -5.5130 -5.5130 -4.6201 -4.6201 -3.7330 -3.7330 -3.4357 -3.4357 -3.2431 -3.2431 -1.1189 -1.1189 -1.0883 -1.0883 -0.6606 -0.6606 -0.2722 -0.2722 0.0313 0.0313 0.3517 0.3517 5.2091 5.2091 6.5146 6.5146 8.5287 8.5287 9.8264 9.8264 k = 0.4167 0.0476-0.1158 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5149 -18.5149 -18.1390 -18.1390 -17.0031 -17.0031 -16.7015 -16.7015 -5.7388 -5.7388 -5.5117 -5.5117 -4.6136 -4.6136 -3.7307 -3.7307 -3.4332 -3.4332 -3.2444 -3.2444 -1.1174 -1.1174 -1.0793 -1.0793 -0.6902 -0.6902 -0.2635 -0.2635 0.0133 0.0133 0.3541 0.3541 5.2491 5.2491 6.4922 6.4922 8.5120 8.5120 9.8145 9.8145 k = 0.4333 0.0495-0.1204 ( 10846 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5133 -18.5133 -18.1400 -18.1400 -17.0046 -17.0046 -16.7012 -16.7012 -5.7377 -5.7377 -5.5107 -5.5107 -4.6081 -4.6081 -3.7288 -3.7288 -3.4311 -3.4311 -3.2455 -3.2455 -1.1167 -1.1167 -1.0697 -1.0697 -0.7163 -0.7163 -0.2551 -0.2551 -0.0028 -0.0028 0.3562 0.3562 5.2838 5.2838 6.4719 6.4719 8.4986 8.4986 9.8042 9.8042 k = 0.4500 0.0514-0.1250 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5120 -18.5120 -18.1408 -18.1408 -17.0059 -17.0059 -16.7010 -16.7010 -5.7368 -5.7368 -5.5098 -5.5098 -4.6036 -4.6036 -3.7274 -3.7274 -3.4294 -3.4294 -3.2464 -3.2464 -1.1165 -1.1165 -1.0607 -1.0607 -0.7381 -0.7381 -0.2475 -0.2475 -0.0166 -0.0166 0.3578 0.3578 5.3121 5.3121 6.4549 6.4549 8.4884 8.4884 9.7958 9.7958 k = 0.4667 0.0533-0.1296 ( 10849 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5111 -18.5111 -18.1413 -18.1413 -17.0068 -17.0068 -16.7008 -16.7008 -5.7362 -5.7362 -5.5093 -5.5093 -4.6004 -4.6004 -3.7264 -3.7264 -3.4282 -3.4282 -3.2470 -3.2470 -1.1164 -1.1164 -1.0533 -1.0533 -0.7547 -0.7547 -0.2413 -0.2413 -0.0272 -0.0272 0.3590 0.3590 5.3333 5.3333 6.4418 6.4418 8.4812 8.4812 9.7896 9.7896 k = 0.4833 0.0552-0.1343 ( 10854 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5105 -18.5105 -18.1417 -18.1417 -17.0073 -17.0073 -16.7007 -16.7007 -5.7358 -5.7358 -5.5089 -5.5089 -4.5985 -4.5985 -3.7258 -3.7258 -3.4274 -3.4274 -3.2474 -3.2474 -1.1164 -1.1164 -1.0483 -1.0483 -0.7652 -0.7652 -0.2371 -0.2371 -0.0340 -0.0340 0.3597 0.3597 5.3463 5.3463 6.4337 6.4337 8.4770 8.4770 9.7858 9.7858 k = 0.5000 0.0571-0.1389 ( 10854 PWs) bands (ev): -41.7544 -41.7544 -41.7275 -41.7275 -18.5103 -18.5103 -18.1418 -18.1418 -17.0075 -17.0075 -16.7007 -16.7007 -5.7357 -5.7357 -5.5088 -5.5088 -4.5978 -4.5978 -3.7256 -3.7256 -3.4271 -3.4271 -3.2476 -3.2476 -1.1164 -1.1164 -1.0465 -1.0465 -0.7688 -0.7688 -0.2357 -0.2357 -0.0364 -0.0364 0.3599 0.3599 5.3507 5.3507 6.4309 6.4309 8.4756 8.4756 9.7846 9.7846 k = 0.5000 0.0571 0.7861 ( 10840 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3039 -18.3039 -18.0229 -18.0229 -16.6804 -16.6804 -16.5666 -16.5666 -6.3550 -6.3550 -5.4390 -5.4390 -5.1988 -5.1988 -4.1449 -4.1449 -4.0806 -4.0806 -3.5633 -3.5633 -2.0791 -2.0791 -2.0246 -2.0246 -0.5519 -0.5519 -0.1989 -0.1989 0.1830 0.1830 0.2244 0.2244 7.2183 7.2183 7.5847 7.5847 8.5260 8.5260 9.9267 9.9267 k = 0.4906 0.0560 0.7713 ( 10838 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3041 -18.3041 -18.0230 -18.0230 -16.6806 -16.6806 -16.5668 -16.5668 -6.3541 -6.3541 -5.4387 -5.4387 -5.1983 -5.1983 -4.1448 -4.1448 -4.0808 -4.0808 -3.5634 -3.5634 -2.0784 -2.0784 -2.0240 -2.0240 -0.5518 -0.5518 -0.1987 -0.1987 0.1829 0.1829 0.2246 0.2246 7.2173 7.2173 7.5843 7.5843 8.5265 8.5265 9.9275 9.9275 k = 0.4811 0.0550 0.7564 ( 10843 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3049 -18.3049 -18.0232 -18.0232 -16.6813 -16.6813 -16.5672 -16.5672 -6.3514 -6.3514 -5.4380 -5.4380 -5.1968 -5.1968 -4.1442 -4.1442 -4.0813 -4.0813 -3.5639 -3.5639 -2.0763 -2.0763 -2.0222 -2.0222 -0.5514 -0.5514 -0.1980 -0.1980 0.1826 0.1826 0.2251 0.2251 7.2142 7.2142 7.5834 7.5834 8.5280 8.5280 9.9298 9.9298 k = 0.4717 0.0539 0.7416 ( 10849 PWs) bands (ev): -41.7482 -41.7482 -41.7217 -41.7217 -18.3061 -18.3061 -18.0235 -18.0235 -16.6824 -16.6824 -16.5680 -16.5680 -6.3470 -6.3470 -5.4367 -5.4367 -5.1943 -5.1943 -4.1434 -4.1434 -4.0820 -4.0820 -3.5647 -3.5647 -2.0729 -2.0729 -2.0192 -2.0192 -0.5509 -0.5509 -0.1968 -0.1968 0.1821 0.1821 0.2260 0.2260 7.2086 7.2086 7.5823 7.5823 8.5306 8.5306 9.9336 9.9336 k = 0.4623 0.0528 0.7268 ( 10850 PWs) bands (ev): -41.7483 -41.7483 -41.7218 -41.7218 -18.3079 -18.3079 -18.0240 -18.0240 -16.6840 -16.6840 -16.5690 -16.5690 -6.3407 -6.3407 -5.4352 -5.4352 -5.1906 -5.1906 -4.1423 -4.1423 -4.0829 -4.0829 -3.5658 -3.5658 -2.0680 -2.0680 -2.0150 -2.0150 -0.5502 -0.5502 -0.1951 -0.1951 0.1814 0.1814 0.2272 0.2272 7.1996 7.1996 7.5819 7.5819 8.5341 8.5341 9.9388 9.9388 k = 0.4528 0.0517 0.7119 ( 10846 PWs) bands (ev): -41.7483 -41.7483 -41.7218 -41.7218 -18.3101 -18.3101 -18.0246 -18.0246 -16.6860 -16.6860 -16.5703 -16.5703 -6.3328 -6.3328 -5.4334 -5.4334 -5.1856 -5.1856 -4.1411 -4.1411 -4.0839 -4.0839 -3.5672 -3.5672 -2.0619 -2.0619 -2.0097 -2.0097 -0.5493 -0.5493 -0.1929 -0.1929 0.1806 0.1806 0.2287 0.2287 7.1863 7.1863 7.5832 7.5832 8.5385 8.5385 9.9452 9.9452 k = 0.4434 0.0507 0.6971 ( 10844 PWs) bands (ev): -41.7484 -41.7484 -41.7219 -41.7219 -18.3129 -18.3129 -18.0254 -18.0254 -16.6885 -16.6885 -16.5719 -16.5719 -6.3232 -6.3232 -5.4317 -5.4317 -5.1793 -5.1793 -4.1398 -4.1398 -4.0847 -4.0847 -3.5690 -3.5690 -2.0544 -2.0544 -2.0031 -2.0031 -0.5482 -0.5482 -0.1904 -0.1904 0.1797 0.1797 0.2305 0.2305 7.1679 7.1679 7.5871 7.5871 8.5439 8.5439 9.9527 9.9527 k = 0.4340 0.0496 0.6823 ( 10846 PWs) bands (ev): -41.7485 -41.7485 -41.7219 -41.7219 -18.3161 -18.3161 -18.0263 -18.0263 -16.6914 -16.6914 -16.5738 -16.5738 -6.3119 -6.3119 -5.4302 -5.4302 -5.1714 -5.1714 -4.1386 -4.1386 -4.0852 -4.0852 -3.5710 -3.5710 -2.0456 -2.0456 -1.9954 -1.9954 -0.5469 -0.5469 -0.1873 -0.1873 0.1787 0.1787 0.2325 0.2325 7.1436 7.1436 7.5944 7.5944 8.5500 8.5500 9.9612 9.9612 k = 0.4245 0.0485 0.6674 ( 10843 PWs) bands (ev): -41.7485 -41.7485 -41.7220 -41.7220 -18.3197 -18.3197 -18.0273 -18.0273 -16.6947 -16.6947 -16.5759 -16.5759 -6.2991 -6.2991 -5.4291 -5.4291 -5.1619 -5.1619 -4.1379 -4.1379 -4.0849 -4.0849 -3.5733 -3.5733 -2.0355 -2.0355 -1.9864 -1.9864 -0.5453 -0.5453 -0.1839 -0.1839 0.1777 0.1777 0.2347 0.2347 7.1131 7.1131 7.6054 7.6054 8.5570 8.5570 9.9705 9.9705 k = 0.4151 0.0474 0.6526 ( 10846 PWs) bands (ev): -41.7486 -41.7486 -41.7221 -41.7221 -18.3238 -18.3238 -18.0284 -18.0284 -16.6985 -16.6985 -16.5783 -16.5783 -6.2849 -6.2849 -5.4285 -5.4285 -5.1506 -5.1506 -4.1376 -4.1376 -4.0836 -4.0836 -3.5759 -3.5759 -2.0241 -2.0241 -1.9762 -1.9762 -0.5436 -0.5436 -0.1800 -0.1800 0.1768 0.1768 0.2371 0.2371 7.0762 7.0762 7.6203 7.6203 8.5647 8.5647 9.9806 9.9806 k = 0.4057 0.0463 0.6378 ( 10853 PWs) bands (ev): -41.7487 -41.7487 -41.7222 -41.7222 -18.3283 -18.3283 -18.0297 -18.0297 -16.7026 -16.7026 -16.5809 -16.5809 -6.2692 -6.2692 -5.4286 -5.4286 -5.1375 -5.1375 -4.1381 -4.1381 -4.0810 -4.0810 -3.5788 -3.5788 -2.0116 -2.0116 -1.9648 -1.9648 -0.5416 -0.5416 -0.1757 -0.1757 0.1759 0.1759 0.2397 0.2397 7.0334 7.0334 7.6387 7.6387 8.5731 8.5731 9.9914 9.9914 k = 0.3962 0.0453 0.6229 ( 10856 PWs) bands (ev): -41.7488 -41.7488 -41.7223 -41.7223 -18.3331 -18.3331 -18.0311 -18.0311 -16.7071 -16.7071 -16.5838 -16.5838 -6.2522 -6.2522 -5.4296 -5.4296 -5.1226 -5.1226 -4.1392 -4.1392 -4.0771 -4.0771 -3.5819 -3.5819 -1.9979 -1.9979 -1.9522 -1.9522 -0.5394 -0.5394 -0.1711 -0.1711 0.1750 0.1750 0.2425 0.2425 6.9848 6.9848 7.6603 7.6603 8.5822 8.5822 10.0027 10.0027 k = 0.3868 0.0442 0.6081 ( 10855 PWs) bands (ev): -41.7490 -41.7490 -41.7224 -41.7224 -18.3384 -18.3384 -18.0326 -18.0326 -16.7120 -16.7120 -16.5868 -16.5868 -6.2340 -6.2340 -5.4314 -5.4314 -5.1059 -5.1059 -4.1410 -4.1410 -4.0717 -4.0717 -3.5853 -3.5853 -1.9832 -1.9832 -1.9383 -1.9383 -0.5370 -0.5370 -0.1661 -0.1661 0.1743 0.1743 0.2454 0.2454 6.9310 6.9310 7.6844 7.6844 8.5919 8.5919 10.0147 10.0147 k = 0.3774 0.0431 0.5933 ( 10856 PWs) bands (ev): -41.7491 -41.7491 -41.7225 -41.7225 -18.3440 -18.3440 -18.0342 -18.0342 -16.7172 -16.7172 -16.5901 -16.5901 -6.2147 -6.2147 -5.4341 -5.4341 -5.0876 -5.0876 -4.1431 -4.1431 -4.0650 -4.0650 -3.5889 -3.5889 -1.9674 -1.9674 -1.9232 -1.9232 -0.5344 -0.5344 -0.1608 -0.1608 0.1737 0.1737 0.2484 0.2484 6.8724 6.8724 7.7103 7.7103 8.6023 8.6023 10.0272 10.0272 k = 0.3679 0.0420 0.5785 ( 10851 PWs) bands (ev): -41.7492 -41.7492 -41.7226 -41.7226 -18.3500 -18.3500 -18.0359 -18.0359 -16.7227 -16.7227 -16.5935 -16.5935 -6.1944 -6.1944 -5.4377 -5.4377 -5.0677 -5.0677 -4.1453 -4.1453 -4.0570 -4.0570 -3.5927 -3.5927 -1.9506 -1.9506 -1.9068 -1.9068 -0.5316 -0.5316 -0.1552 -0.1552 0.1732 0.1732 0.2516 0.2516 6.8096 6.8096 7.7372 7.7372 8.6137 8.6137 10.0402 10.0402 k = 0.3585 0.0410 0.5636 ( 10838 PWs) bands (ev): -41.7494 -41.7494 -41.7227 -41.7227 -18.3563 -18.3563 -18.0378 -18.0378 -16.7286 -16.7286 -16.5971 -16.5971 -6.1732 -6.1732 -5.4421 -5.4421 -5.0466 -5.0466 -4.1473 -4.1473 -4.0478 -4.0478 -3.5967 -3.5967 -1.9329 -1.9329 -1.8892 -1.8892 -0.5285 -0.5285 -0.1494 -0.1494 0.1729 0.1729 0.2549 0.2549 6.7429 6.7429 7.7643 7.7643 8.6261 8.6261 10.0536 10.0536 k = 0.3491 0.0399 0.5488 ( 10835 PWs) bands (ev): -41.7495 -41.7495 -41.7228 -41.7228 -18.3628 -18.3628 -18.0397 -18.0397 -16.7347 -16.7347 -16.6009 -16.6009 -6.1513 -6.1513 -5.4474 -5.4474 -5.0244 -5.0244 -4.1490 -4.1490 -4.0375 -4.0375 -3.6008 -3.6008 -1.9143 -1.9143 -1.8703 -1.8703 -0.5252 -0.5252 -0.1433 -0.1433 0.1728 0.1728 0.2584 0.2584 6.6728 6.6728 7.7907 7.7907 8.6398 8.6398 10.0675 10.0675 k = 0.3396 0.0388 0.5340 ( 10834 PWs) bands (ev): -41.7497 -41.7497 -41.7230 -41.7230 -18.3696 -18.3696 -18.0418 -18.0418 -16.7411 -16.7411 -16.6048 -16.6048 -6.1288 -6.1288 -5.4534 -5.4534 -5.0014 -5.0014 -4.1500 -4.1500 -4.0260 -4.0260 -3.6050 -3.6050 -1.8950 -1.8950 -1.8502 -1.8502 -0.5217 -0.5217 -0.1369 -0.1369 0.1729 0.1729 0.2619 0.2619 6.5997 6.5997 7.8154 7.8154 8.6554 8.6554 10.0817 10.0817 k = 0.3302 0.0377 0.5191 ( 10830 PWs) bands (ev): -41.7498 -41.7498 -41.7231 -41.7231 -18.3767 -18.3767 -18.0439 -18.0439 -16.7477 -16.7477 -16.6088 -16.6088 -6.1058 -6.1058 -5.4600 -5.4600 -4.9779 -4.9779 -4.1501 -4.1501 -4.0135 -4.0135 -3.6093 -3.6093 -1.8750 -1.8750 -1.8290 -1.8290 -0.5179 -0.5179 -0.1304 -0.1304 0.1732 0.1732 0.2656 0.2656 6.5239 6.5239 7.8373 7.8373 8.6731 8.6731 10.0962 10.0962 k = 0.3208 0.0366 0.5043 ( 10832 PWs) bands (ev): -41.7500 -41.7500 -41.7233 -41.7233 -18.3839 -18.3839 -18.0461 -18.0461 -16.7546 -16.7546 -16.6130 -16.6130 -6.0825 -6.0825 -5.4673 -5.4673 -4.9543 -4.9543 -4.1490 -4.1490 -4.0000 -4.0000 -3.6136 -3.6136 -1.8543 -1.8543 -1.8066 -1.8066 -0.5139 -0.5139 -0.1237 -0.1237 0.1738 0.1738 0.2694 0.2694 6.4457 6.4457 7.8553 7.8553 8.6937 8.6937 10.1110 10.1110 k = 0.3113 0.0356 0.4895 ( 10838 PWs) bands (ev): -41.7502 -41.7502 -41.7234 -41.7234 -18.3914 -18.3914 -18.0484 -18.0484 -16.7616 -16.7616 -16.6172 -16.6172 -6.0591 -6.0591 -5.4750 -5.4750 -4.9308 -4.9308 -4.1465 -4.1465 -3.9854 -3.9854 -3.6178 -3.6178 -1.8329 -1.8329 -1.7832 -1.7832 -0.5097 -0.5097 -0.1169 -0.1169 0.1746 0.1746 0.2733 0.2733 6.3654 6.3654 7.8686 7.8686 8.7174 8.7174 10.1260 10.1260 k = 0.3019 0.0345 0.4746 ( 10840 PWs) bands (ev): -41.7504 -41.7504 -41.7236 -41.7236 -18.3989 -18.3989 -18.0507 -18.0507 -16.7688 -16.7688 -16.6215 -16.6215 -6.0356 -6.0356 -5.4832 -5.4832 -4.9077 -4.9077 -4.1424 -4.1424 -3.9700 -3.9700 -3.6219 -3.6219 -1.8109 -1.8109 -1.7588 -1.7588 -0.5053 -0.5053 -0.1100 -0.1100 0.1758 0.1758 0.2774 0.2774 6.2834 6.2834 7.8763 7.8763 8.7448 8.7448 10.1410 10.1410 k = 0.2925 0.0334 0.4598 ( 10846 PWs) bands (ev): -41.7505 -41.7505 -41.7238 -41.7238 -18.4066 -18.4066 -18.0531 -18.0531 -16.7762 -16.7762 -16.6259 -16.6259 -6.0122 -6.0122 -5.4917 -5.4917 -4.8856 -4.8856 -4.1363 -4.1363 -3.9536 -3.9536 -3.6257 -3.6257 -1.7885 -1.7885 -1.7335 -1.7335 -0.5006 -0.5006 -0.1030 -0.1030 0.1773 0.1773 0.2815 0.2815 6.2000 6.2000 7.8778 7.8778 8.7760 8.7760 10.1561 10.1561 k = 0.2830 0.0323 0.4450 ( 10843 PWs) bands (ev): -41.7507 -41.7507 -41.7239 -41.7239 -18.4144 -18.4144 -18.0556 -18.0556 -16.7836 -16.7836 -16.6303 -16.6303 -5.9891 -5.9891 -5.5005 -5.5005 -4.8646 -4.8646 -4.1280 -4.1280 -3.9365 -3.9365 -3.6292 -3.6292 -1.7655 -1.7655 -1.7075 -1.7075 -0.4957 -0.4957 -0.0960 -0.0960 0.1790 0.1790 0.2857 0.2857 6.1152 6.1152 7.8728 7.8728 8.8110 8.8110 10.1707 10.1707 k = 0.2736 0.0313 0.4301 ( 10837 PWs) bands (ev): -41.7509 -41.7509 -41.7241 -41.7241 -18.4223 -18.4223 -18.0581 -18.0581 -16.7911 -16.7911 -16.6347 -16.6347 -5.9664 -5.9664 -5.5095 -5.5095 -4.8451 -4.8451 -4.1175 -4.1175 -3.9187 -3.9187 -3.6321 -3.6321 -1.7420 -1.7420 -1.6807 -1.6807 -0.4906 -0.4906 -0.0890 -0.0890 0.1812 0.1812 0.2900 0.2900 6.0296 6.0296 7.8611 7.8611 8.8496 8.8496 10.1842 10.1842 k = 0.2642 0.0302 0.4153 ( 10834 PWs) bands (ev): -41.7511 -41.7511 -41.7242 -41.7242 -18.4302 -18.4302 -18.0606 -18.0606 -16.7987 -16.7987 -16.6392 -16.6392 -5.9443 -5.9443 -5.5185 -5.5185 -4.8273 -4.8273 -4.1045 -4.1045 -3.9004 -3.9004 -3.6343 -3.6343 -1.7182 -1.7182 -1.6533 -1.6533 -0.4852 -0.4852 -0.0819 -0.0819 0.1837 0.1837 0.2943 0.2943 5.9432 5.9432 7.8431 7.8431 8.8913 8.8913 10.1944 10.1944 k = 0.2547 0.0291 0.4005 ( 10839 PWs) bands (ev): -41.7513 -41.7513 -41.7244 -41.7244 -18.4381 -18.4381 -18.0631 -18.0631 -16.8063 -16.8063 -16.6436 -16.6436 -5.9229 -5.9229 -5.5275 -5.5275 -4.8114 -4.8114 -4.0889 -4.0889 -3.8820 -3.8820 -3.6355 -3.6355 -1.6941 -1.6941 -1.6254 -1.6254 -0.4797 -0.4797 -0.0750 -0.0750 0.1866 0.1866 0.2988 0.2988 5.8563 5.8563 7.8189 7.8189 8.9355 8.9355 10.1965 10.1965 k = 0.2453 0.0280 0.3856 ( 10838 PWs) bands (ev): -41.7515 -41.7515 -41.7246 -41.7246 -18.4460 -18.4460 -18.0657 -18.0657 -16.8139 -16.8139 -16.6481 -16.6481 -5.9024 -5.9024 -5.5363 -5.5363 -4.7976 -4.7976 -4.0709 -4.0709 -3.8637 -3.8637 -3.6353 -3.6353 -1.6697 -1.6697 -1.5971 -1.5971 -0.4739 -0.4739 -0.0681 -0.0681 0.1898 0.1898 0.3033 0.3033 5.7692 5.7692 7.7892 7.7892 8.9815 8.9815 10.1871 10.1871 k = 0.2358 0.0269 0.3708 ( 10839 PWs) bands (ev): -41.7517 -41.7517 -41.7247 -41.7247 -18.4538 -18.4538 -18.0682 -18.0682 -16.8215 -16.8215 -16.6525 -16.6525 -5.8829 -5.8829 -5.5449 -5.5449 -4.7858 -4.7858 -4.0505 -4.0505 -3.8460 -3.8460 -3.6333 -3.6333 -1.6451 -1.6451 -1.5685 -1.5685 -0.4679 -0.4679 -0.0613 -0.0613 0.1935 0.1935 0.3078 0.3078 5.6821 5.6821 7.7545 7.7545 9.0286 9.0286 10.1706 10.1706 k = 0.2264 0.0259 0.3560 ( 10834 PWs) bands (ev): -41.7518 -41.7518 -41.7249 -41.7249 -18.4616 -18.4616 -18.0708 -18.0708 -16.8290 -16.8290 -16.6568 -16.6568 -5.8647 -5.8647 -5.5531 -5.5531 -4.7762 -4.7762 -4.0280 -4.0280 -3.8294 -3.8294 -3.6289 -3.6289 -1.6204 -1.6204 -1.5398 -1.5398 -0.4618 -0.4618 -0.0547 -0.0547 0.1976 0.1976 0.3124 0.3124 5.5953 5.5953 7.7154 7.7154 9.0760 9.0760 10.1519 10.1519 k = 0.2170 0.0248 0.3411 ( 10831 PWs) bands (ev): -41.7520 -41.7520 -41.7251 -41.7251 -18.4693 -18.4693 -18.0733 -18.0733 -16.8365 -16.8365 -16.6611 -16.6611 -5.8477 -5.8477 -5.5607 -5.5607 -4.7685 -4.7685 -4.0036 -4.0036 -3.8145 -3.8145 -3.6217 -3.6217 -1.5957 -1.5957 -1.5110 -1.5110 -0.4554 -0.4554 -0.0483 -0.0483 0.2022 0.2022 0.3170 0.3170 5.5089 5.5089 7.6726 7.6726 9.1229 9.1229 10.1336 10.1336 k = 0.2075 0.0237 0.3263 ( 10832 PWs) bands (ev): -41.7522 -41.7522 -41.7252 -41.7252 -18.4769 -18.4769 -18.0758 -18.0758 -16.8438 -16.8438 -16.6654 -16.6654 -5.8323 -5.8323 -5.5677 -5.5677 -4.7626 -4.7626 -3.9777 -3.9777 -3.8016 -3.8016 -3.6111 -3.6111 -1.5710 -1.5710 -1.4822 -1.4822 -0.4490 -0.4490 -0.0420 -0.0420 0.2071 0.2071 0.3216 0.3216 5.4233 5.4233 7.6266 7.6266 9.1685 9.1685 10.1168 10.1168 k = 0.1981 0.0226 0.3115 ( 10832 PWs) bands (ev): -41.7524 -41.7524 -41.7254 -41.7254 -18.4843 -18.4843 -18.0783 -18.0783 -16.8510 -16.8510 -16.6695 -16.6695 -5.8186 -5.8186 -5.5738 -5.5738 -4.7584 -4.7584 -3.9509 -3.9509 -3.7908 -3.7908 -3.5971 -3.5971 -1.5466 -1.5466 -1.4537 -1.4537 -0.4423 -0.4423 -0.0360 -0.0360 0.2125 0.2125 0.3262 0.3262 5.3387 5.3387 7.5782 7.5782 9.2121 9.2121 10.1024 10.1024 k = 0.1887 0.0216 0.2966 ( 10835 PWs) bands (ev): -41.7526 -41.7526 -41.7256 -41.7256 -18.4915 -18.4915 -18.0807 -18.0807 -16.8580 -16.8580 -16.6736 -16.6736 -5.8066 -5.8066 -5.5788 -5.5788 -4.7557 -4.7557 -3.9238 -3.9238 -3.7819 -3.7819 -3.5796 -3.5796 -1.5223 -1.5223 -1.4254 -1.4254 -0.4356 -0.4356 -0.0303 -0.0303 0.2183 0.2183 0.3308 0.3308 5.2553 5.2553 7.5279 7.5279 9.2530 9.2530 10.0906 10.0906 k = 0.1792 0.0205 0.2818 ( 10835 PWs) bands (ev): -41.7527 -41.7527 -41.7257 -41.7257 -18.4985 -18.4985 -18.0831 -18.0831 -16.8649 -16.8649 -16.6775 -16.6775 -5.7967 -5.7967 -5.5827 -5.5827 -4.7542 -4.7542 -3.8973 -3.8973 -3.7740 -3.7740 -3.5592 -3.5592 -1.4985 -1.4985 -1.3975 -1.3975 -0.4287 -0.4287 -0.0248 -0.0248 0.2245 0.2245 0.3353 0.3353 5.1734 5.1734 7.4762 7.4762 9.2908 9.2908 10.0819 10.0819 k = 0.1698 0.0194 0.2670 ( 10835 PWs) bands (ev): -41.7529 -41.7529 -41.7259 -41.7259 -18.5054 -18.5054 -18.0854 -18.0854 -16.8715 -16.8715 -16.6813 -16.6813 -5.7887 -5.7887 -5.5854 -5.5854 -4.7538 -4.7538 -3.8726 -3.8726 -3.7658 -3.7658 -3.5365 -3.5365 -1.4751 -1.4751 -1.3702 -1.3702 -0.4218 -0.4218 -0.0196 -0.0196 0.2311 0.2311 0.3397 0.3397 5.0933 5.0933 7.4238 7.4238 9.3250 9.3250 10.0764 10.0764 k = 0.1604 0.0183 0.2521 ( 10838 PWs) bands (ev): -41.7531 -41.7531 -41.7260 -41.7260 -18.5120 -18.5120 -18.0877 -18.0877 -16.8779 -16.8779 -16.6850 -16.6850 -5.7827 -5.7827 -5.5867 -5.5867 -4.7543 -4.7543 -3.8514 -3.8514 -3.7553 -3.7553 -3.5121 -3.5121 -1.4522 -1.4522 -1.3435 -1.3435 -0.4149 -0.4149 -0.0148 -0.0148 0.2380 0.2380 0.3441 0.3441 5.0151 5.0151 7.3710 7.3710 9.3553 9.3553 10.0742 10.0742 k = 0.1509 0.0172 0.2373 ( 10838 PWs) bands (ev): -41.7532 -41.7532 -41.7261 -41.7261 -18.5183 -18.5183 -18.0898 -18.0898 -16.8841 -16.8841 -16.6885 -16.6885 -5.7787 -5.7787 -5.5867 -5.5867 -4.7555 -4.7555 -3.8355 -3.8355 -3.7409 -3.7409 -3.4864 -3.4864 -1.4300 -1.4300 -1.3176 -1.3176 -0.4079 -0.4079 -0.0102 -0.0102 0.2453 0.2453 0.3484 0.3484 4.9393 4.9393 7.3185 7.3185 9.3816 9.3816 10.0750 10.0750 k = 0.1415 0.0162 0.2225 ( 10831 PWs) bands (ev): -41.7534 -41.7534 -41.7263 -41.7263 -18.5243 -18.5243 -18.0919 -18.0919 -16.8900 -16.8900 -16.6919 -16.6919 -5.7765 -5.7765 -5.5856 -5.5856 -4.7572 -4.7572 -3.8253 -3.8253 -3.7220 -3.7220 -3.4602 -3.4602 -1.4085 -1.4085 -1.2926 -1.2926 -0.4010 -0.4010 -0.0060 -0.0060 0.2528 0.2528 0.3525 0.3525 4.8661 4.8661 7.2667 7.2667 9.4041 9.4041 10.0787 10.0787 k = 0.1321 0.0151 0.2076 ( 10836 PWs) bands (ev): -41.7535 -41.7535 -41.7264 -41.7264 -18.5301 -18.5301 -18.0939 -18.0939 -16.8956 -16.8956 -16.6951 -16.6951 -5.7757 -5.7757 -5.5836 -5.5836 -4.7594 -4.7594 -3.8197 -3.8197 -3.6998 -3.6998 -3.4336 -3.4336 -1.3879 -1.3879 -1.2685 -1.2685 -0.3942 -0.3942 -0.0022 -0.0022 0.2605 0.2605 0.3564 0.3564 4.7957 4.7957 7.2160 7.2160 9.4231 9.4231 10.0847 10.0847 k = 0.1226 0.0140 0.1928 ( 10836 PWs) bands (ev): -41.7537 -41.7537 -41.7265 -41.7265 -18.5355 -18.5355 -18.0957 -18.0957 -16.9009 -16.9009 -16.6981 -16.6981 -5.7762 -5.7762 -5.5808 -5.5808 -4.7619 -4.7619 -3.8170 -3.8170 -3.6759 -3.6759 -3.4073 -3.4073 -1.3683 -1.3683 -1.2456 -1.2456 -0.3875 -0.3875 0.0014 0.0014 0.2684 0.2684 0.3601 0.3601 4.7285 4.7285 7.1669 7.1669 9.4388 9.4388 10.0926 10.0926 k = 0.1132 0.0129 0.1780 ( 10844 PWs) bands (ev): -41.7538 -41.7538 -41.7266 -41.7266 -18.5406 -18.5406 -18.0975 -18.0975 -16.9059 -16.9059 -16.7009 -16.7009 -5.7777 -5.7777 -5.5775 -5.5775 -4.7645 -4.7645 -3.8162 -3.8162 -3.6517 -3.6517 -3.3814 -3.3814 -1.3497 -1.3497 -1.2240 -1.2240 -0.3810 -0.3810 0.0046 0.0046 0.2764 0.2764 0.3636 0.3636 4.6647 4.6647 7.1197 7.1197 9.4519 9.4519 10.1018 10.1018 k = 0.1038 0.0119 0.1632 ( 10847 PWs) bands (ev): -41.7539 -41.7539 -41.7267 -41.7267 -18.5453 -18.5453 -18.0992 -18.0992 -16.9106 -16.9106 -16.7036 -16.7036 -5.7798 -5.7798 -5.5739 -5.5739 -4.7673 -4.7673 -3.8165 -3.8165 -3.6279 -3.6279 -3.3565 -3.3565 -1.3322 -1.3322 -1.2036 -1.2036 -0.3747 -0.3747 0.0075 0.0075 0.2844 0.2844 0.3669 0.3669 4.6047 4.6047 7.0749 7.0749 9.4627 9.4627 10.1117 10.1117 k = 0.0943 0.0108 0.1483 ( 10846 PWs) bands (ev): -41.7540 -41.7540 -41.7268 -41.7268 -18.5497 -18.5497 -18.1007 -18.1007 -16.9148 -16.9148 -16.7060 -16.7060 -5.7823 -5.7823 -5.5702 -5.5702 -4.7700 -4.7700 -3.8173 -3.8173 -3.6051 -3.6051 -3.3326 -3.3326 -1.3159 -1.3159 -1.1847 -1.1847 -0.3686 -0.3686 0.0100 0.0100 0.2923 0.2923 0.3698 0.3698 4.5487 4.5487 7.0327 7.0327 9.4717 9.4717 10.1218 10.1218 k = 0.0849 0.0097 0.1335 ( 10851 PWs) bands (ev): -41.7541 -41.7541 -41.7269 -41.7269 -18.5537 -18.5537 -18.1021 -18.1021 -16.9188 -16.9188 -16.7082 -16.7082 -5.7851 -5.7851 -5.5666 -5.5666 -4.7727 -4.7727 -3.8185 -3.8185 -3.5838 -3.5838 -3.3102 -3.3102 -1.3009 -1.3009 -1.1672 -1.1672 -0.3630 -0.3630 0.0123 0.0123 0.3000 0.3000 0.3724 0.3724 4.4970 4.4970 6.9935 6.9935 9.4794 9.4794 10.1315 10.1315 k = 0.0755 0.0086 0.1187 ( 10849 PWs) bands (ev): -41.7542 -41.7542 -41.7270 -41.7270 -18.5573 -18.5573 -18.1034 -18.1034 -16.9223 -16.9223 -16.7102 -16.7102 -5.7880 -5.7880 -5.5632 -5.5632 -4.7752 -4.7752 -3.8199 -3.8199 -3.5641 -3.5641 -3.2894 -3.2894 -1.2873 -1.2873 -1.1514 -1.1514 -0.3577 -0.3577 0.0142 0.0142 0.3074 0.3074 0.3747 0.3747 4.4498 4.4498 6.9577 6.9577 9.4859 9.4859 10.1404 10.1404 k = 0.0660 0.0075 0.1038 ( 10854 PWs) bands (ev): -41.7543 -41.7543 -41.7271 -41.7271 -18.5606 -18.5606 -18.1045 -18.1045 -16.9255 -16.9255 -16.7120 -16.7120 -5.7908 -5.7908 -5.5600 -5.5600 -4.7776 -4.7776 -3.8213 -3.8213 -3.5463 -3.5463 -3.2705 -3.2705 -1.2751 -1.2751 -1.1373 -1.1373 -0.3528 -0.3528 0.0159 0.0159 0.3144 0.3144 0.3766 0.3766 4.4075 4.4075 6.9254 6.9254 9.4916 9.4916 10.1482 10.1482 k = 0.0566 0.0065 0.0890 ( 10856 PWs) bands (ev): -41.7544 -41.7544 -41.7271 -41.7271 -18.5634 -18.5634 -18.1055 -18.1055 -16.9282 -16.9282 -16.7136 -16.7136 -5.7934 -5.7934 -5.5571 -5.5571 -4.7797 -4.7797 -3.8226 -3.8226 -3.5306 -3.5306 -3.2537 -3.2537 -1.2644 -1.2644 -1.1248 -1.1248 -0.3485 -0.3485 0.0173 0.0173 0.3209 0.3209 0.3782 0.3782 4.3703 4.3703 6.8969 6.8969 9.4966 9.4966 10.1546 10.1547 k = 0.0472 0.0054 0.0742 ( 10855 PWs) bands (ev): -41.7544 -41.7544 -41.7272 -41.7272 -18.5658 -18.5658 -18.1063 -18.1063 -16.9306 -16.9306 -16.7149 -16.7149 -5.7957 -5.7957 -5.5547 -5.5547 -4.7816 -4.7816 -3.8238 -3.8238 -3.5171 -3.5171 -3.2392 -3.2392 -1.2553 -1.2553 -1.1142 -1.1142 -0.3448 -0.3448 0.0185 0.0185 0.3268 0.3268 0.3793 0.3793 4.3384 4.3384 6.8724 6.8724 9.5009 9.5009 10.1596 10.1596 k = 0.0377 0.0043 0.0593 ( 10854 PWs) bands (ev): -41.7545 -41.7545 -41.7272 -41.7272 -18.5677 -18.5677 -18.1070 -18.1070 -16.9325 -16.9325 -16.7160 -16.7160 -5.7977 -5.7977 -5.5526 -5.5526 -4.7831 -4.7831 -3.8248 -3.8248 -3.5059 -3.5059 -3.2271 -3.2271 -1.2478 -1.2478 -1.1055 -1.1055 -0.3416 -0.3416 0.0194 0.0194 0.3319 0.3319 0.3802 0.3802 4.3120 4.3120 6.8521 6.8521 9.5046 9.5046 10.1631 10.1631 k = 0.0283 0.0032 0.0445 ( 10859 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5693 -18.5693 -18.1076 -18.1076 -16.9340 -16.9340 -16.7169 -16.7169 -5.7993 -5.7993 -5.5510 -5.5510 -4.7844 -4.7844 -3.8257 -3.8257 -3.4971 -3.4971 -3.2175 -3.2175 -1.2419 -1.2419 -1.0987 -1.0987 -0.3391 -0.3391 0.0202 0.0202 0.3360 0.3360 0.3807 0.3807 4.2913 4.2913 6.8362 6.8362 9.5076 9.5076 10.1652 10.1652 k = 0.0189 0.0022 0.0297 ( 10862 PWs) bands (ev): -41.7545 -41.7545 -41.7273 -41.7273 -18.5704 -18.5704 -18.1079 -18.1079 -16.9351 -16.9351 -16.7175 -16.7175 -5.8004 -5.8004 -5.5498 -5.5498 -4.7853 -4.7853 -3.8263 -3.8263 -3.4907 -3.4907 -3.2106 -3.2106 -1.2376 -1.2376 -1.0937 -1.0937 -0.3373 -0.3373 0.0207 0.0207 0.3391 0.3391 0.3810 0.3810 4.2764 4.2764 6.8247 6.8247 9.5097 9.5097 10.1664 10.1664 k = 0.0094 0.0011 0.0148 ( 10872 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5710 -18.5710 -18.1082 -18.1082 -16.9357 -16.9357 -16.7179 -16.7179 -5.8011 -5.8011 -5.5491 -5.5491 -4.7858 -4.7858 -3.8266 -3.8266 -3.4869 -3.4869 -3.2065 -3.2065 -1.2351 -1.2351 -1.0908 -1.0908 -0.3362 -0.3362 0.0210 0.0210 0.3411 0.3411 0.3811 0.3811 4.2674 4.2674 6.8178 6.8178 9.5111 9.5111 10.1669 10.1669 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -41.7546 -41.7546 -41.7273 -41.7273 -18.5712 -18.5712 -18.1083 -18.1083 -16.9359 -16.9359 -16.7180 -16.7180 -5.8014 -5.8014 -5.5488 -5.5488 -4.7860 -4.7860 -3.8268 -3.8268 -3.4856 -3.4856 -3.2051 -3.2051 -1.2342 -1.2342 -1.0898 -1.0898 -0.3358 -0.3358 0.0211 0.0211 0.3417 0.3417 0.3812 0.3812 4.2644 4.2644 6.8155 6.8155 9.5115 9.5116 10.1670 10.1670 Writing output data file LiH3O2.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 283.98s CPU 287.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 283.98s CPU 287.11s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 355 calls) cegterg : 255.82s CPU 258.05s WALL ( 477 calls) Called by sum_band: Called by *egterg: h_psi : 188.57s CPU 190.34s WALL ( 8014 calls) s_psi : 4.43s CPU 4.44s WALL ( 8014 calls) g_psi : 0.58s CPU 0.57s WALL ( 7182 calls) cdiaghg : 51.80s CPU 52.50s WALL ( 7537 calls) cegterg:over : 11.76s CPU 11.89s WALL ( 7182 calls) cegterg:upda : 13.52s CPU 13.34s WALL ( 7182 calls) cegterg:last : 5.31s CPU 5.32s WALL ( 1277 calls) cdiaghg:chol : 3.16s CPU 3.05s WALL ( 7537 calls) cdiaghg:inve : 1.80s CPU 1.85s WALL ( 7537 calls) cdiaghg:para : 3.16s CPU 3.09s WALL ( 15074 calls) Called by h_psi: h_psi:vloc : 177.86s CPU 179.32s WALL ( 8014 calls) h_psi:vnl : 10.12s CPU 10.43s WALL ( 8014 calls) add_vuspsi : 4.24s CPU 4.27s WALL ( 8014 calls) General routines calbec : 5.86s CPU 6.14s WALL ( 8014 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 168.31s CPU 169.22s WALL ( 750140 calls) davcio : 0.32s CPU 0.45s WALL ( 710 calls) Parallel routines fft_scatter : 51.44s CPU 52.22s WALL ( 750155 calls) PWSCF : 5m11.06s CPU 5m30.74s WALL This run was terminated on: 19:24:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=