Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:41:18 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: ./LiO2.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 = 6 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 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 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) 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 0.37 Mb ( 634, 38) NL pseudopotentials 0.41 Mb ( 317, 84) 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 1.47 Mb ( 634, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.10 Mb ( 84, 2, 38) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.0 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 12.0 secs Computing kpt #: 22 total cpu time spent up to now is 12.5 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.6 secs Computing kpt #: 32 total cpu time spent up to now is 18.2 secs Computing kpt #: 33 total cpu time spent up to now is 18.9 secs Computing kpt #: 34 total cpu time spent up to now is 19.6 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.1 secs Computing kpt #: 37 total cpu time spent up to now is 21.8 secs Computing kpt #: 38 total cpu time spent up to now is 22.6 secs Computing kpt #: 39 total cpu time spent up to now is 23.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.0 secs Computing kpt #: 41 total cpu time spent up to now is 24.8 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 26.3 secs Computing kpt #: 44 total cpu time spent up to now is 27.0 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.6 secs Computing kpt #: 47 total cpu time spent up to now is 29.3 secs Computing kpt #: 48 total cpu time spent up to now is 30.0 secs Computing kpt #: 49 total cpu time spent up to now is 30.8 secs Computing kpt #: 50 total cpu time spent up to now is 31.5 secs Computing kpt #: 51 total cpu time spent up to now is 32.2 secs Computing kpt #: 52 total cpu time spent up to now is 33.0 secs Computing kpt #: 53 total cpu time spent up to now is 33.7 secs Computing kpt #: 54 total cpu time spent up to now is 34.4 secs Computing kpt #: 55 total cpu time spent up to now is 35.1 secs Computing kpt #: 56 total cpu time spent up to now is 35.8 secs Computing kpt #: 57 total cpu time spent up to now is 36.5 secs Computing kpt #: 58 total cpu time spent up to now is 37.2 secs Computing kpt #: 59 total cpu time spent up to now is 37.9 secs Computing kpt #: 60 total cpu time spent up to now is 38.6 secs Computing kpt #: 61 total cpu time spent up to now is 39.5 secs Computing kpt #: 62 total cpu time spent up to now is 40.4 secs Computing kpt #: 63 total cpu time spent up to now is 41.1 secs Computing kpt #: 64 total cpu time spent up to now is 41.8 secs Computing kpt #: 65 total cpu time spent up to now is 42.6 secs Computing kpt #: 66 total cpu time spent up to now is 43.3 secs Computing kpt #: 67 total cpu time spent up to now is 44.0 secs Computing kpt #: 68 total cpu time spent up to now is 44.7 secs Computing kpt #: 69 total cpu time spent up to now is 45.5 secs Computing kpt #: 70 total cpu time spent up to now is 46.2 secs Computing kpt #: 71 total cpu time spent up to now is 46.8 secs Computing kpt #: 72 total cpu time spent up to now is 47.6 secs Computing kpt #: 73 total cpu time spent up to now is 48.4 secs Computing kpt #: 74 total cpu time spent up to now is 49.2 secs Computing kpt #: 75 total cpu time spent up to now is 49.9 secs Computing kpt #: 76 total cpu time spent up to now is 50.5 secs Computing kpt #: 77 total cpu time spent up to now is 51.2 secs Computing kpt #: 78 total cpu time spent up to now is 51.9 secs Computing kpt #: 79 total cpu time spent up to now is 52.6 secs Computing kpt #: 80 total cpu time spent up to now is 53.2 secs Computing kpt #: 81 total cpu time spent up to now is 53.9 secs Computing kpt #: 82 total cpu time spent up to now is 54.6 secs Computing kpt #: 83 total cpu time spent up to now is 55.3 secs Computing kpt #: 84 total cpu time spent up to now is 55.9 secs Computing kpt #: 85 total cpu time spent up to now is 56.5 secs Computing kpt #: 86 total cpu time spent up to now is 57.2 secs Computing kpt #: 87 total cpu time spent up to now is 57.9 secs Computing kpt #: 88 total cpu time spent up to now is 58.5 secs Computing kpt #: 89 total cpu time spent up to now is 59.2 secs Computing kpt #: 90 total cpu time spent up to now is 59.9 secs Computing kpt #: 91 total cpu time spent up to now is 60.5 secs Computing kpt #: 92 total cpu time spent up to now is 61.1 secs Computing kpt #: 93 total cpu time spent up to now is 61.7 secs Computing kpt #: 94 total cpu time spent up to now is 62.4 secs Computing kpt #: 95 total cpu time spent up to now is 63.1 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 64.2 secs Computing kpt #: 98 total cpu time spent up to now is 64.9 secs Computing kpt #: 99 total cpu time spent up to now is 65.5 secs Computing kpt #: 100 total cpu time spent up to now is 66.1 secs Computing kpt #: 101 total cpu time spent up to now is 66.6 secs Computing kpt #: 102 total cpu time spent up to now is 67.3 secs Computing kpt #: 103 total cpu time spent up to now is 68.0 secs Computing kpt #: 104 total cpu time spent up to now is 68.5 secs Computing kpt #: 105 total cpu time spent up to now is 69.1 secs Computing kpt #: 106 total cpu time spent up to now is 69.8 secs Computing kpt #: 107 total cpu time spent up to now is 70.5 secs Computing kpt #: 108 total cpu time spent up to now is 71.1 secs Computing kpt #: 109 total cpu time spent up to now is 71.8 secs Computing kpt #: 110 total cpu time spent up to now is 72.5 secs Computing kpt #: 111 total cpu time spent up to now is 73.1 secs Computing kpt #: 112 total cpu time spent up to now is 73.7 secs Computing kpt #: 113 total cpu time spent up to now is 74.3 secs Computing kpt #: 114 total cpu time spent up to now is 74.9 secs Computing kpt #: 115 total cpu time spent up to now is 75.6 secs Computing kpt #: 116 total cpu time spent up to now is 76.2 secs Computing kpt #: 117 total cpu time spent up to now is 76.8 secs Computing kpt #: 118 total cpu time spent up to now is 77.4 secs Computing kpt #: 119 total cpu time spent up to now is 77.9 secs Computing kpt #: 120 total cpu time spent up to now is 78.6 secs Computing kpt #: 121 total cpu time spent up to now is 79.2 secs Computing kpt #: 122 total cpu time spent up to now is 79.8 secs Computing kpt #: 123 total cpu time spent up to now is 80.3 secs Computing kpt #: 124 total cpu time spent up to now is 80.9 secs Computing kpt #: 125 total cpu time spent up to now is 81.5 secs Computing kpt #: 126 total cpu time spent up to now is 82.0 secs Computing kpt #: 127 total cpu time spent up to now is 82.6 secs Computing kpt #: 128 total cpu time spent up to now is 83.1 secs Computing kpt #: 129 total cpu time spent up to now is 83.7 secs Computing kpt #: 130 total cpu time spent up to now is 84.2 secs Computing kpt #: 131 total cpu time spent up to now is 84.8 secs Computing kpt #: 132 total cpu time spent up to now is 85.4 secs Computing kpt #: 133 total cpu time spent up to now is 85.9 secs Computing kpt #: 134 total cpu time spent up to now is 86.5 secs Computing kpt #: 135 total cpu time spent up to now is 87.0 secs Computing kpt #: 136 total cpu time spent up to now is 87.6 secs Computing kpt #: 137 total cpu time spent up to now is 88.1 secs Computing kpt #: 138 total cpu time spent up to now is 88.7 secs Computing kpt #: 139 total cpu time spent up to now is 89.2 secs Computing kpt #: 140 total cpu time spent up to now is 89.8 secs Computing kpt #: 141 total cpu time spent up to now is 90.3 secs Computing kpt #: 142 total cpu time spent up to now is 90.9 secs Computing kpt #: 143 total cpu time spent up to now is 91.4 secs Computing kpt #: 144 total cpu time spent up to now is 92.0 secs Computing kpt #: 145 total cpu time spent up to now is 92.5 secs Computing kpt #: 146 total cpu time spent up to now is 93.1 secs Computing kpt #: 147 total cpu time spent up to now is 93.6 secs Computing kpt #: 148 total cpu time spent up to now is 94.2 secs Computing kpt #: 149 total cpu time spent up to now is 94.8 secs Computing kpt #: 150 total cpu time spent up to now is 95.3 secs Computing kpt #: 151 total cpu time spent up to now is 96.0 secs Computing kpt #: 152 total cpu time spent up to now is 96.5 secs Computing kpt #: 153 total cpu time spent up to now is 97.1 secs Computing kpt #: 154 total cpu time spent up to now is 97.7 secs Computing kpt #: 155 total cpu time spent up to now is 98.2 secs Computing kpt #: 156 total cpu time spent up to now is 98.8 secs Computing kpt #: 157 total cpu time spent up to now is 99.4 secs Computing kpt #: 158 total cpu time spent up to now is 99.9 secs Computing kpt #: 159 total cpu time spent up to now is 100.5 secs Computing kpt #: 160 total cpu time spent up to now is 101.1 secs Computing kpt #: 161 total cpu time spent up to now is 101.6 secs Computing kpt #: 162 total cpu time spent up to now is 102.2 secs Computing kpt #: 163 total cpu time spent up to now is 102.8 secs Computing kpt #: 164 total cpu time spent up to now is 103.4 secs Computing kpt #: 165 total cpu time spent up to now is 103.9 secs Computing kpt #: 166 total cpu time spent up to now is 104.5 secs Computing kpt #: 167 total cpu time spent up to now is 105.1 secs Computing kpt #: 168 total cpu time spent up to now is 105.7 secs Computing kpt #: 169 total cpu time spent up to now is 106.3 secs Computing kpt #: 170 total cpu time spent up to now is 106.9 secs Computing kpt #: 171 total cpu time spent up to now is 107.5 secs Computing kpt #: 172 total cpu time spent up to now is 108.1 secs Computing kpt #: 173 total cpu time spent up to now is 108.7 secs Computing kpt #: 174 total cpu time spent up to now is 109.4 secs Computing kpt #: 175 total cpu time spent up to now is 110.0 secs Computing kpt #: 176 total cpu time spent up to now is 110.6 secs Computing kpt #: 177 total cpu time spent up to now is 111.1 secs Computing kpt #: 178 total cpu time spent up to now is 111.8 secs Computing kpt #: 179 total cpu time spent up to now is 112.4 secs Computing kpt #: 180 total cpu time spent up to now is 113.0 secs Computing kpt #: 181 total cpu time spent up to now is 113.5 secs Computing kpt #: 182 total cpu time spent up to now is 114.1 secs Computing kpt #: 183 total cpu time spent up to now is 114.7 secs Computing kpt #: 184 total cpu time spent up to now is 115.3 secs Computing kpt #: 185 total cpu time spent up to now is 115.9 secs Computing kpt #: 186 total cpu time spent up to now is 116.4 secs Computing kpt #: 187 total cpu time spent up to now is 117.0 secs Computing kpt #: 188 total cpu time spent up to now is 117.6 secs Computing kpt #: 189 total cpu time spent up to now is 118.2 secs Computing kpt #: 190 total cpu time spent up to now is 118.8 secs Computing kpt #: 191 total cpu time spent up to now is 119.4 secs Computing kpt #: 192 total cpu time spent up to now is 120.0 secs Computing kpt #: 193 total cpu time spent up to now is 120.6 secs Computing kpt #: 194 total cpu time spent up to now is 121.2 secs Computing kpt #: 195 total cpu time spent up to now is 121.9 secs Computing kpt #: 196 total cpu time spent up to now is 122.6 secs Computing kpt #: 197 total cpu time spent up to now is 123.3 secs Computing kpt #: 198 total cpu time spent up to now is 123.9 secs Computing kpt #: 199 total cpu time spent up to now is 124.6 secs Computing kpt #: 200 total cpu time spent up to now is 125.3 secs Computing kpt #: 201 total cpu time spent up to now is 126.0 secs Computing kpt #: 202 total cpu time spent up to now is 126.7 secs Computing kpt #: 203 total cpu time spent up to now is 127.4 secs Computing kpt #: 204 total cpu time spent up to now is 128.1 secs Computing kpt #: 205 total cpu time spent up to now is 128.8 secs Computing kpt #: 206 total cpu time spent up to now is 129.4 secs Computing kpt #: 207 total cpu time spent up to now is 130.1 secs Computing kpt #: 208 total cpu time spent up to now is 130.9 secs Computing kpt #: 209 total cpu time spent up to now is 131.6 secs Computing kpt #: 210 total cpu time spent up to now is 132.3 secs Computing kpt #: 211 total cpu time spent up to now is 133.0 secs Computing kpt #: 212 total cpu time spent up to now is 133.8 secs Computing kpt #: 213 total cpu time spent up to now is 134.6 secs Computing kpt #: 214 total cpu time spent up to now is 135.4 secs Computing kpt #: 215 total cpu time spent up to now is 136.2 secs Computing kpt #: 216 total cpu time spent up to now is 137.0 secs Computing kpt #: 217 total cpu time spent up to now is 137.8 secs Computing kpt #: 218 total cpu time spent up to now is 138.6 secs Computing kpt #: 219 total cpu time spent up to now is 139.3 secs Computing kpt #: 220 total cpu time spent up to now is 140.1 secs Computing kpt #: 221 total cpu time spent up to now is 140.9 secs Computing kpt #: 222 total cpu time spent up to now is 141.6 secs Computing kpt #: 223 total cpu time spent up to now is 142.4 secs Computing kpt #: 224 total cpu time spent up to now is 143.1 secs Computing kpt #: 225 total cpu time spent up to now is 143.8 secs Computing kpt #: 226 total cpu time spent up to now is 144.4 secs Computing kpt #: 227 total cpu time spent up to now is 145.1 secs Computing kpt #: 228 total cpu time spent up to now is 145.8 secs Computing kpt #: 229 total cpu time spent up to now is 146.4 secs Computing kpt #: 230 total cpu time spent up to now is 147.1 secs Computing kpt #: 231 total cpu time spent up to now is 147.8 secs Computing kpt #: 232 total cpu time spent up to now is 148.5 secs Computing kpt #: 233 total cpu time spent up to now is 149.2 secs Computing kpt #: 234 total cpu time spent up to now is 149.9 secs Computing kpt #: 235 total cpu time spent up to now is 150.5 secs Computing kpt #: 236 total cpu time spent up to now is 151.2 secs Computing kpt #: 237 total cpu time spent up to now is 151.9 secs Computing kpt #: 238 total cpu time spent up to now is 152.5 secs Computing kpt #: 239 total cpu time spent up to now is 153.0 secs Computing kpt #: 240 total cpu time spent up to now is 153.6 secs Computing kpt #: 241 total cpu time spent up to now is 154.2 secs Computing kpt #: 242 total cpu time spent up to now is 154.8 secs Computing kpt #: 243 total cpu time spent up to now is 155.3 secs Computing kpt #: 244 total cpu time spent up to now is 155.9 secs Computing kpt #: 245 total cpu time spent up to now is 156.4 secs Computing kpt #: 246 total cpu time spent up to now is 157.0 secs Computing kpt #: 247 total cpu time spent up to now is 157.6 secs Computing kpt #: 248 total cpu time spent up to now is 158.1 secs Computing kpt #: 249 total cpu time spent up to now is 158.7 secs Computing kpt #: 250 total cpu time spent up to now is 159.2 secs Computing kpt #: 251 total cpu time spent up to now is 159.8 secs Computing kpt #: 252 total cpu time spent up to now is 160.3 secs Computing kpt #: 253 total cpu time spent up to now is 160.9 secs Computing kpt #: 254 total cpu time spent up to now is 161.4 secs Computing kpt #: 255 total cpu time spent up to now is 162.0 secs Computing kpt #: 256 total cpu time spent up to now is 162.5 secs Computing kpt #: 257 total cpu time spent up to now is 163.0 secs Computing kpt #: 258 total cpu time spent up to now is 163.6 secs Computing kpt #: 259 total cpu time spent up to now is 164.1 secs Computing kpt #: 260 total cpu time spent up to now is 164.6 secs Computing kpt #: 261 total cpu time spent up to now is 165.2 secs Computing kpt #: 262 total cpu time spent up to now is 165.7 secs Computing kpt #: 263 total cpu time spent up to now is 166.2 secs Computing kpt #: 264 total cpu time spent up to now is 166.7 secs Computing kpt #: 265 total cpu time spent up to now is 167.2 secs Computing kpt #: 266 total cpu time spent up to now is 167.7 secs Computing kpt #: 267 total cpu time spent up to now is 168.3 secs Computing kpt #: 268 total cpu time spent up to now is 168.8 secs Computing kpt #: 269 total cpu time spent up to now is 169.3 secs Computing kpt #: 270 total cpu time spent up to now is 169.8 secs Computing kpt #: 271 total cpu time spent up to now is 170.3 secs Computing kpt #: 272 total cpu time spent up to now is 170.8 secs Computing kpt #: 273 total cpu time spent up to now is 171.3 secs Computing kpt #: 274 total cpu time spent up to now is 171.8 secs Computing kpt #: 275 total cpu time spent up to now is 172.3 secs Computing kpt #: 276 total cpu time spent up to now is 172.9 secs Computing kpt #: 277 total cpu time spent up to now is 173.4 secs Computing kpt #: 278 total cpu time spent up to now is 173.9 secs Computing kpt #: 279 total cpu time spent up to now is 174.4 secs Computing kpt #: 280 total cpu time spent up to now is 174.9 secs Computing kpt #: 281 total cpu time spent up to now is 175.5 secs Computing kpt #: 282 total cpu time spent up to now is 176.0 secs Computing kpt #: 283 total cpu time spent up to now is 176.5 secs Computing kpt #: 284 total cpu time spent up to now is 177.1 secs Computing kpt #: 285 total cpu time spent up to now is 177.7 secs Computing kpt #: 286 total cpu time spent up to now is 178.2 secs Computing kpt #: 287 total cpu time spent up to now is 178.7 secs Computing kpt #: 288 total cpu time spent up to now is 179.3 secs Computing kpt #: 289 total cpu time spent up to now is 179.8 secs Computing kpt #: 290 total cpu time spent up to now is 180.4 secs Computing kpt #: 291 total cpu time spent up to now is 180.9 secs Computing kpt #: 292 total cpu time spent up to now is 181.5 secs Computing kpt #: 293 total cpu time spent up to now is 182.0 secs Computing kpt #: 294 total cpu time spent up to now is 182.6 secs Computing kpt #: 295 total cpu time spent up to now is 183.1 secs Computing kpt #: 296 total cpu time spent up to now is 183.7 secs Computing kpt #: 297 total cpu time spent up to now is 184.3 secs Computing kpt #: 298 total cpu time spent up to now is 184.9 secs Computing kpt #: 299 total cpu time spent up to now is 185.6 secs Computing kpt #: 300 total cpu time spent up to now is 186.2 secs Computing kpt #: 301 total cpu time spent up to now is 186.8 secs Computing kpt #: 302 total cpu time spent up to now is 187.4 secs Computing kpt #: 303 total cpu time spent up to now is 188.0 secs Computing kpt #: 304 total cpu time spent up to now is 188.6 secs Computing kpt #: 305 total cpu time spent up to now is 189.2 secs Computing kpt #: 306 total cpu time spent up to now is 189.9 secs Computing kpt #: 307 total cpu time spent up to now is 190.5 secs Computing kpt #: 308 total cpu time spent up to now is 191.1 secs Computing kpt #: 309 total cpu time spent up to now is 191.8 secs Computing kpt #: 310 total cpu time spent up to now is 192.5 secs Computing kpt #: 311 total cpu time spent up to now is 193.0 secs Computing kpt #: 312 total cpu time spent up to now is 193.6 secs Computing kpt #: 313 total cpu time spent up to now is 194.2 secs Computing kpt #: 314 total cpu time spent up to now is 194.9 secs Computing kpt #: 315 total cpu time spent up to now is 195.6 secs Computing kpt #: 316 total cpu time spent up to now is 196.2 secs Computing kpt #: 317 total cpu time spent up to now is 196.9 secs Computing kpt #: 318 total cpu time spent up to now is 197.5 secs Computing kpt #: 319 total cpu time spent up to now is 198.1 secs Computing kpt #: 320 total cpu time spent up to now is 198.6 secs Computing kpt #: 321 total cpu time spent up to now is 199.2 secs Computing kpt #: 322 total cpu time spent up to now is 199.8 secs Computing kpt #: 323 total cpu time spent up to now is 200.4 secs Computing kpt #: 324 total cpu time spent up to now is 201.0 secs Computing kpt #: 325 total cpu time spent up to now is 201.5 secs Computing kpt #: 326 total cpu time spent up to now is 202.1 secs Computing kpt #: 327 total cpu time spent up to now is 202.7 secs Computing kpt #: 328 total cpu time spent up to now is 203.2 secs Computing kpt #: 329 total cpu time spent up to now is 203.8 secs Computing kpt #: 330 total cpu time spent up to now is 204.3 secs Computing kpt #: 331 total cpu time spent up to now is 204.9 secs Computing kpt #: 332 total cpu time spent up to now is 205.4 secs Computing kpt #: 333 total cpu time spent up to now is 206.0 secs Computing kpt #: 334 total cpu time spent up to now is 206.5 secs Computing kpt #: 335 total cpu time spent up to now is 207.1 secs Computing kpt #: 336 total cpu time spent up to now is 207.6 secs Computing kpt #: 337 total cpu time spent up to now is 208.2 secs Computing kpt #: 338 total cpu time spent up to now is 208.7 secs Computing kpt #: 339 total cpu time spent up to now is 209.2 secs Computing kpt #: 340 total cpu time spent up to now is 209.8 secs Computing kpt #: 341 total cpu time spent up to now is 210.3 secs Computing kpt #: 342 total cpu time spent up to now is 210.9 secs Computing kpt #: 343 total cpu time spent up to now is 211.4 secs Computing kpt #: 344 total cpu time spent up to now is 211.9 secs Computing kpt #: 345 total cpu time spent up to now is 212.5 secs Computing kpt #: 346 total cpu time spent up to now is 213.0 secs Computing kpt #: 347 total cpu time spent up to now is 213.5 secs Computing kpt #: 348 total cpu time spent up to now is 214.0 secs Computing kpt #: 349 total cpu time spent up to now is 214.6 secs Computing kpt #: 350 total cpu time spent up to now is 215.1 secs Computing kpt #: 351 total cpu time spent up to now is 215.6 secs Computing kpt #: 352 total cpu time spent up to now is 216.1 secs Computing kpt #: 353 total cpu time spent up to now is 216.6 secs Computing kpt #: 354 total cpu time spent up to now is 217.1 secs Computing kpt #: 355 total cpu time spent up to now is 217.6 secs ethr = 3.33E-08, avg # of iterations = 20.2 total cpu time spent up to now is 217.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2603 -18.2603 -17.8961 -17.8961 -17.7135 -17.7135 -17.5557 -17.5557 -4.4520 -4.4520 -4.3786 -4.3786 -3.7194 -3.7194 -3.5051 -3.5051 -2.5108 -2.5108 -2.4855 -2.4855 -2.4772 -2.4772 -2.3534 -2.3534 -2.1562 -2.1562 -2.1337 -2.1337 -2.0356 -2.0356 -2.0096 -2.0096 5.3442 5.3442 k = 0.0110 0.0123-0.0058 ( 10869 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2601 -18.2601 -17.8964 -17.8964 -17.7136 -17.7136 -17.5556 -17.5556 -4.4511 -4.4511 -4.3778 -4.3778 -3.7191 -3.7191 -3.5059 -3.5059 -2.5108 -2.5108 -2.4858 -2.4858 -2.4771 -2.4771 -2.3532 -2.3532 -2.1560 -2.1560 -2.1344 -2.1344 -2.0366 -2.0366 -2.0098 -2.0098 5.3463 5.3463 k = 0.0219 0.0246-0.0116 ( 10862 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2592 -18.2592 -17.8973 -17.8973 -17.7138 -17.7138 -17.5555 -17.5555 -4.4484 -4.4484 -4.3756 -4.3756 -3.7181 -3.7181 -3.5082 -3.5082 -2.5108 -2.5108 -2.4869 -2.4869 -2.4767 -2.4767 -2.3528 -2.3528 -2.1557 -2.1557 -2.1363 -2.1363 -2.0394 -2.0394 -2.0106 -2.0106 5.3523 5.3523 k = 0.0329 0.0369-0.0174 ( 10850 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2579 -18.2579 -17.8988 -17.8988 -17.7141 -17.7141 -17.5552 -17.5552 -4.4440 -4.4440 -4.3718 -4.3718 -3.7164 -3.7164 -3.5121 -3.5121 -2.5111 -2.5111 -2.4885 -2.4885 -2.4762 -2.4762 -2.3520 -2.3520 -2.1552 -2.1552 -2.1395 -2.1395 -2.0440 -2.0440 -2.0120 -2.0120 5.3624 5.3624 k = 0.0439 0.0492-0.0232 ( 10850 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2560 -18.2560 -17.9008 -17.9008 -17.7146 -17.7146 -17.5549 -17.5549 -4.4377 -4.4377 -4.3666 -4.3666 -3.7141 -3.7141 -3.5175 -3.5175 -2.5119 -2.5119 -2.4903 -2.4903 -2.4755 -2.4755 -2.3509 -2.3509 -2.1549 -2.1549 -2.1438 -2.1438 -2.0503 -2.0503 -2.0140 -2.0140 5.3764 5.3764 k = 0.0548 0.0614-0.0290 ( 10861 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2535 -18.2535 -17.9034 -17.9034 -17.7153 -17.7153 -17.5544 -17.5544 -4.4297 -4.4297 -4.3598 -4.3598 -3.7111 -3.7111 -3.5242 -3.5242 -2.5138 -2.5138 -2.4919 -2.4919 -2.4747 -2.4747 -2.3494 -2.3494 -2.1556 -2.1556 -2.1486 -2.1486 -2.0579 -2.0579 -2.0165 -2.0165 5.3943 5.3943 k = 0.0658 0.0737-0.0347 ( 10852 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2506 -18.2506 -17.9065 -17.9065 -17.7160 -17.7160 -17.5540 -17.5540 -4.4200 -4.4200 -4.3517 -4.3517 -3.7074 -3.7074 -3.5322 -3.5322 -2.5170 -2.5170 -2.4930 -2.4930 -2.4737 -2.4737 -2.3474 -2.3474 -2.1596 -2.1596 -2.1518 -2.1518 -2.0664 -2.0664 -2.0198 -2.0198 5.4161 5.4161 k = 0.0768 0.0860-0.0405 ( 10852 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2471 -18.2471 -17.9101 -17.9101 -17.7169 -17.7169 -17.5535 -17.5535 -4.4086 -4.4086 -4.3422 -4.3422 -3.7031 -3.7031 -3.5412 -3.5412 -2.5218 -2.5218 -2.4935 -2.4935 -2.4726 -2.4726 -2.3450 -2.3450 -2.1671 -2.1671 -2.1538 -2.1538 -2.0754 -2.0754 -2.0236 -2.0236 5.4417 5.4417 k = 0.0877 0.0983-0.0463 ( 10854 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2430 -18.2430 -17.9141 -17.9141 -17.7180 -17.7180 -17.5530 -17.5530 -4.3954 -4.3954 -4.3313 -4.3313 -3.6981 -3.6981 -3.5512 -3.5512 -2.5279 -2.5279 -2.4940 -2.4940 -2.4714 -2.4714 -2.3422 -2.3422 -2.1763 -2.1763 -2.1570 -2.1570 -2.0841 -2.0841 -2.0282 -2.0282 5.4710 5.4710 k = 0.0987 0.1106-0.0521 ( 10844 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2385 -18.2385 -17.9185 -17.9185 -17.7191 -17.7191 -17.5526 -17.5526 -4.3806 -4.3806 -4.3191 -4.3191 -3.6924 -3.6924 -3.5620 -3.5620 -2.5352 -2.5352 -2.4946 -2.4946 -2.4701 -2.4701 -2.3389 -2.3389 -2.1867 -2.1867 -2.1624 -2.1624 -2.0916 -2.0916 -2.0336 -2.0336 5.5039 5.5039 k = 0.1096 0.1229-0.0579 ( 10851 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2335 -18.2335 -17.9234 -17.9234 -17.7204 -17.7204 -17.5522 -17.5522 -4.3642 -4.3642 -4.3057 -4.3057 -3.6862 -3.6862 -3.5733 -3.5733 -2.5434 -2.5434 -2.4957 -2.4957 -2.4686 -2.4686 -2.3351 -2.3351 -2.1982 -2.1982 -2.1707 -2.1707 -2.0973 -2.0973 -2.0396 -2.0396 5.5402 5.5402 k = 0.1206 0.1352-0.0637 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2280 -18.2280 -17.9285 -17.9285 -17.7218 -17.7218 -17.5520 -17.5520 -4.3462 -4.3462 -4.2911 -4.2911 -3.6793 -3.6793 -3.5850 -3.5850 -2.5524 -2.5524 -2.4978 -2.4978 -2.4671 -2.4671 -2.3309 -2.3309 -2.2107 -2.2107 -2.1816 -2.1816 -2.1012 -2.1012 -2.0465 -2.0465 5.5800 5.5800 k = 0.1316 0.1475-0.0695 ( 10850 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2220 -18.2220 -17.9340 -17.9340 -17.7232 -17.7232 -17.5519 -17.5519 -4.3266 -4.3266 -4.2754 -4.2754 -3.6719 -3.6719 -3.5968 -3.5968 -2.5622 -2.5622 -2.5011 -2.5011 -2.4654 -2.4654 -2.3263 -2.3263 -2.2241 -2.2241 -2.1946 -2.1946 -2.1037 -2.1037 -2.0542 -2.0542 5.6230 5.6230 k = 0.1425 0.1597-0.0753 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2155 -18.2155 -17.9397 -17.9397 -17.7248 -17.7248 -17.5519 -17.5519 -4.3055 -4.3055 -4.2587 -4.2587 -3.6640 -3.6640 -3.6084 -3.6084 -2.5728 -2.5728 -2.5058 -2.5058 -2.4636 -2.4636 -2.3215 -2.3215 -2.2382 -2.2382 -2.2087 -2.2087 -2.1055 -2.1055 -2.0626 -2.0626 5.6691 5.6691 k = 0.1535 0.1720-0.0811 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2086 -18.2086 -17.9456 -17.9456 -17.7265 -17.7265 -17.5521 -17.5521 -4.2829 -4.2829 -4.2412 -4.2412 -3.6560 -3.6560 -3.6193 -3.6193 -2.5843 -2.5843 -2.5123 -2.5123 -2.4617 -2.4617 -2.3166 -2.3166 -2.2528 -2.2528 -2.2232 -2.2232 -2.1069 -2.1069 -2.0719 -2.0719 5.7181 5.7181 k = 0.1645 0.1843-0.0869 ( 10853 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2013 -18.2013 -17.9517 -17.9517 -17.7282 -17.7282 -17.5526 -17.5526 -4.2590 -4.2590 -4.2230 -4.2230 -3.6493 -3.6493 -3.6279 -3.6279 -2.5967 -2.5967 -2.5204 -2.5204 -2.4596 -2.4596 -2.3118 -2.3118 -2.2677 -2.2677 -2.2375 -2.2375 -2.1085 -2.1085 -2.0820 -2.0820 5.7700 5.7700 k = 0.1754 0.1966-0.0927 ( 10860 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.1935 -18.1935 -17.9580 -17.9580 -17.7300 -17.7300 -17.5533 -17.5533 -4.2337 -4.2337 -4.2041 -4.2041 -3.6494 -3.6494 -3.6282 -3.6282 -2.6102 -2.6102 -2.5304 -2.5304 -2.4574 -2.4574 -2.3083 -2.3083 -2.2820 -2.2820 -2.2509 -2.2509 -2.1105 -2.1105 -2.0926 -2.0926 5.8246 5.8246 k = 0.1864 0.2089-0.0985 ( 10858 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.1854 -18.1854 -17.9643 -17.9643 -17.7319 -17.7319 -17.5543 -17.5543 -4.2071 -4.2071 -4.1849 -4.1849 -3.6563 -3.6563 -3.6203 -3.6203 -2.6250 -2.6250 -2.5418 -2.5418 -2.4552 -2.4552 -2.3106 -2.3106 -2.2912 -2.2912 -2.2629 -2.2629 -2.1139 -2.1139 -2.1033 -2.1033 5.8818 5.8818 k = 0.1974 0.2212-0.1042 ( 10862 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.1769 -18.1769 -17.9707 -17.9707 -17.7338 -17.7338 -17.5556 -17.5556 -4.1794 -4.1794 -4.1654 -4.1654 -3.6640 -3.6640 -3.6098 -3.6098 -2.6415 -2.6415 -2.5544 -2.5544 -2.4529 -2.4529 -2.3234 -2.3234 -2.2914 -2.2914 -2.2728 -2.2728 -2.1213 -2.1213 -2.1113 -2.1113 5.9413 5.9413 k = 0.2083 0.2335-0.1100 ( 10853 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.1680 -18.1680 -17.9771 -17.9771 -17.7358 -17.7358 -17.5572 -17.5572 -4.1512 -4.1512 -4.1453 -4.1453 -3.6708 -3.6708 -3.5982 -3.5982 -2.6599 -2.6599 -2.5676 -2.5676 -2.4506 -2.4506 -2.3402 -2.3402 -2.2909 -2.2909 -2.2786 -2.2786 -2.1336 -2.1336 -2.1158 -2.1158 6.0030 6.0030 k = 0.2193 0.2458-0.1158 ( 10852 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1588 -18.1588 -17.9834 -17.9834 -17.7378 -17.7378 -17.5591 -17.5591 -4.1283 -4.1283 -4.1192 -4.1192 -3.6760 -3.6760 -3.5859 -3.5859 -2.6805 -2.6805 -2.5810 -2.5810 -2.4484 -2.4484 -2.3583 -2.3583 -2.2948 -2.2948 -2.2781 -2.2781 -2.1477 -2.1477 -2.1198 -2.1198 6.0668 6.0668 k = 0.2303 0.2581-0.1216 ( 10845 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1494 -18.1494 -17.9897 -17.9897 -17.7399 -17.7399 -17.5614 -17.5614 -4.1096 -4.1096 -4.0884 -4.0884 -3.6792 -3.6792 -3.5729 -3.5729 -2.7032 -2.7032 -2.5940 -2.5940 -2.4463 -2.4463 -2.3771 -2.3771 -2.3001 -2.3001 -2.2752 -2.2752 -2.1629 -2.1629 -2.1241 -2.1241 6.1324 6.1324 k = 0.2412 0.2703-0.1274 ( 10844 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1397 -18.1397 -17.9959 -17.9959 -17.7419 -17.7419 -17.5640 -17.5640 -4.0921 -4.0921 -4.0565 -4.0565 -3.6802 -3.6802 -3.5593 -3.5593 -2.7278 -2.7278 -2.6065 -2.6065 -2.4448 -2.4448 -2.3960 -2.3960 -2.3049 -2.3049 -2.2722 -2.2722 -2.1791 -2.1791 -2.1286 -2.1286 6.1998 6.1998 k = 0.2522 0.2826-0.1332 ( 10842 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1299 -18.1299 -18.0019 -18.0019 -17.7440 -17.7440 -17.5670 -17.5670 -4.0759 -4.0759 -4.0236 -4.0236 -3.6787 -3.6787 -3.5451 -3.5451 -2.7541 -2.7541 -2.6184 -2.6184 -2.4450 -2.4450 -2.4137 -2.4137 -2.3090 -2.3090 -2.2700 -2.2700 -2.1962 -2.1962 -2.1332 -2.1332 6.2686 6.2686 k = 0.2631 0.2949-0.1390 ( 10844 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1200 -18.1200 -18.0076 -18.0076 -17.7460 -17.7460 -17.5703 -17.5703 -4.0612 -4.0612 -3.9899 -3.9899 -3.6745 -3.6745 -3.5304 -3.5304 -2.7816 -2.7816 -2.6295 -2.6295 -2.4515 -2.4515 -2.4256 -2.4256 -2.3126 -2.3126 -2.2688 -2.2688 -2.2141 -2.2141 -2.1377 -2.1377 6.3387 6.3387 k = 0.2741 0.3072-0.1448 ( 10848 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1101 -18.1101 -18.0130 -18.0130 -17.7481 -17.7481 -17.5740 -17.5740 -4.0481 -4.0481 -3.9555 -3.9555 -3.6675 -3.6675 -3.5152 -3.5152 -2.8099 -2.8099 -2.6400 -2.6400 -2.4673 -2.4673 -2.4286 -2.4286 -2.3160 -2.3160 -2.2690 -2.2690 -2.2326 -2.2326 -2.1420 -2.1420 6.4098 6.4098 k = 0.2851 0.3195-0.1506 ( 10851 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1003 -18.1003 -18.0178 -18.0178 -17.7501 -17.7501 -17.5780 -17.5780 -4.0367 -4.0367 -3.9205 -3.9205 -3.6578 -3.6578 -3.4996 -3.4996 -2.8385 -2.8385 -2.6500 -2.6500 -2.4871 -2.4871 -2.4279 -2.4279 -2.3193 -2.3193 -2.2711 -2.2711 -2.2515 -2.2515 -2.1456 -2.1456 6.4817 6.4817 k = 0.2960 0.3318-0.1564 ( 10851 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.0910 -18.0910 -18.0219 -18.0219 -17.7521 -17.7521 -17.5824 -17.5824 -4.0269 -4.0269 -3.8851 -3.8851 -3.6457 -3.6457 -3.4835 -3.4835 -2.8669 -2.8669 -2.6593 -2.6593 -2.5081 -2.5081 -2.4262 -2.4262 -2.3231 -2.3231 -2.2784 -2.2784 -2.2673 -2.2673 -2.1484 -2.1484 6.5541 6.5541 k = 0.3070 0.3441-0.1622 ( 10849 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.0826 -18.0826 -18.0248 -18.0248 -17.7540 -17.7540 -17.5871 -17.5871 -4.0186 -4.0186 -3.8492 -3.8492 -3.6314 -3.6314 -3.4671 -3.4671 -2.8947 -2.8947 -2.6682 -2.6682 -2.5297 -2.5297 -2.4242 -2.4242 -2.3279 -2.3279 -2.2962 -2.2962 -2.2743 -2.2743 -2.1503 -2.1503 6.6265 6.6265 k = 0.3180 0.3564-0.1680 ( 10839 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.0758 -18.0758 -18.0257 -18.0257 -17.7559 -17.7559 -17.5922 -17.5922 -4.0116 -4.0116 -3.8131 -3.8131 -3.6155 -3.6155 -3.4504 -3.4504 -2.9214 -2.9214 -2.6767 -2.6767 -2.5514 -2.5514 -2.4222 -2.4222 -2.3342 -2.3342 -2.3174 -2.3174 -2.2792 -2.2792 -2.1513 -2.1513 6.6985 6.6985 k = 0.3289 0.3687-0.1737 ( 10837 PWs) bands (ev): -44.3362 -44.3362 -44.3028 -44.3028 -18.0714 -18.0714 -18.0240 -18.0240 -17.7578 -17.7578 -17.5976 -17.5976 -4.0056 -4.0056 -3.7769 -3.7769 -3.5985 -3.5985 -3.4334 -3.4334 -2.9466 -2.9466 -2.6847 -2.6847 -2.5732 -2.5732 -2.4203 -2.4203 -2.3430 -2.3430 -2.3393 -2.3393 -2.2835 -2.2835 -2.1514 -2.1514 6.7694 6.7694 k = 0.3399 0.3809-0.1795 ( 10835 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0697 -18.0697 -18.0193 -18.0193 -17.7596 -17.7596 -17.6032 -17.6032 -4.0004 -4.0004 -3.7406 -3.7406 -3.5813 -3.5813 -3.4163 -3.4163 -2.9696 -2.9696 -2.6922 -2.6922 -2.5948 -2.5948 -2.4187 -2.4187 -2.3624 -2.3624 -2.3535 -2.3535 -2.2871 -2.2871 -2.1509 -2.1509 6.8382 6.8382 k = 0.3509 0.3932-0.1853 ( 10823 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0703 -18.0703 -18.0121 -18.0121 -17.7613 -17.7613 -17.6091 -17.6091 -3.9956 -3.9956 -3.7045 -3.7045 -3.5643 -3.5643 -3.3991 -3.3991 -2.9899 -2.9899 -2.6994 -2.6994 -2.6162 -2.6162 -2.4181 -2.4181 -2.3848 -2.3848 -2.3671 -2.3671 -2.2897 -2.2897 -2.1497 -2.1497 6.9036 6.9036 k = 0.3618 0.4055-0.1911 ( 10820 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0721 -18.0721 -18.0035 -18.0035 -17.7629 -17.7629 -17.6152 -17.6152 -3.9912 -3.9912 -3.6686 -3.6686 -3.5485 -3.5485 -3.3820 -3.3820 -3.0069 -3.0069 -2.7062 -2.7062 -2.6370 -2.6370 -2.4224 -2.4224 -2.4034 -2.4034 -2.3825 -2.3825 -2.2915 -2.2915 -2.1483 -2.1483 6.9635 6.9635 k = 0.3728 0.4178-0.1969 ( 10832 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0746 -18.0746 -17.9941 -17.9941 -17.7644 -17.7644 -17.6214 -17.6214 -3.9870 -3.9870 -3.6331 -3.6331 -3.5345 -3.5345 -3.3652 -3.3652 -3.0201 -3.0201 -2.7127 -2.7127 -2.6571 -2.6571 -2.4400 -2.4400 -2.4113 -2.4113 -2.3978 -2.3978 -2.2926 -2.2926 -2.1466 -2.1466 7.0151 7.0151 k = 0.3838 0.4301-0.2027 ( 10834 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0774 -18.0774 -17.9844 -17.9844 -17.7658 -17.7658 -17.6278 -17.6278 -3.9828 -3.9828 -3.5982 -3.5982 -3.5230 -3.5230 -3.3488 -3.3488 -3.0289 -3.0289 -2.7190 -2.7190 -2.6763 -2.6763 -2.4634 -2.4634 -2.4243 -2.4243 -2.4041 -2.4041 -2.2933 -2.2933 -2.1447 -2.1447 7.0552 7.0552 k = 0.3947 0.4424-0.2085 ( 10820 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0802 -18.0802 -17.9747 -17.9747 -17.7671 -17.7671 -17.6342 -17.6342 -3.9786 -3.9786 -3.5640 -3.5640 -3.5143 -3.5143 -3.3331 -3.3331 -3.0331 -3.0331 -2.7252 -2.7252 -2.6941 -2.6941 -2.4879 -2.4879 -2.4439 -2.4439 -2.4042 -2.4042 -2.2937 -2.2937 -2.1429 -2.1429 7.0823 7.0823 k = 0.4057 0.4547-0.2143 ( 10832 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0830 -18.0830 -17.9651 -17.9651 -17.7684 -17.7684 -17.6405 -17.6405 -3.9743 -3.9743 -3.5307 -3.5307 -3.5087 -3.5087 -3.3185 -3.3185 -3.0325 -3.0325 -2.7316 -2.7316 -2.7097 -2.7097 -2.5127 -2.5127 -2.4653 -2.4653 -2.4033 -2.4033 -2.2938 -2.2938 -2.1410 -2.1410 7.0974 7.0974 k = 0.4166 0.4670-0.2201 ( 10836 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0855 -18.0855 -17.9559 -17.9559 -17.7695 -17.7695 -17.6467 -17.6467 -3.9701 -3.9701 -3.5066 -3.5066 -3.4980 -3.4980 -3.3052 -3.3052 -3.0275 -3.0275 -2.7393 -2.7393 -2.7222 -2.7222 -2.5373 -2.5373 -2.4873 -2.4873 -2.4022 -2.4022 -2.2938 -2.2938 -2.1393 -2.1393 7.1039 7.1039 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0878 -18.0878 -17.9472 -17.9472 -17.7704 -17.7704 -17.6527 -17.6527 -3.9659 -3.9659 -3.5062 -3.5062 -3.4673 -3.4673 -3.2938 -3.2938 -3.0186 -3.0186 -2.7484 -2.7484 -2.7308 -2.7308 -2.5616 -2.5616 -2.5096 -2.5096 -2.4011 -2.4011 -2.2938 -2.2938 -2.1377 -2.1377 7.1051 7.1051 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0878 -18.0878 -17.9472 -17.9472 -17.7704 -17.7704 -17.6527 -17.6527 -3.9659 -3.9659 -3.5062 -3.5062 -3.4673 -3.4673 -3.2938 -3.2938 -3.0186 -3.0186 -2.7484 -2.7484 -2.7308 -2.7308 -2.5616 -2.5616 -2.5096 -2.5096 -2.4011 -2.4011 -2.2938 -2.2938 -2.1377 -2.1377 7.1051 7.1051 k = 0.4316 0.4837-0.2096 ( 10840 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0876 -18.0876 -17.9479 -17.9479 -17.7703 -17.7703 -17.6512 -17.6512 -3.9665 -3.9665 -3.5103 -3.5103 -3.4729 -3.4729 -3.2942 -3.2942 -3.0213 -3.0213 -2.7485 -2.7485 -2.7317 -2.7317 -2.5551 -2.5551 -2.5024 -2.5024 -2.4026 -2.4026 -2.2939 -2.2939 -2.1406 -2.1406 7.1080 7.1080 k = 0.4356 0.4882-0.1934 ( 10840 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0871 -18.0871 -17.9484 -17.9484 -17.7699 -17.7699 -17.6495 -17.6495 -3.9667 -3.9667 -3.5147 -3.5147 -3.4782 -3.4782 -3.2946 -3.2946 -3.0254 -3.0254 -2.7497 -2.7497 -2.7330 -2.7330 -2.5488 -2.5488 -2.4947 -2.4947 -2.4053 -2.4053 -2.2954 -2.2954 -2.1451 -2.1451 7.1134 7.1134 k = 0.4396 0.4927-0.1771 ( 10846 PWs) bands (ev): -44.3361 -44.3361 -44.3028 -44.3028 -18.0864 -18.0864 -17.9486 -17.9486 -17.7693 -17.7693 -17.6476 -17.6476 -3.9665 -3.9665 -3.5196 -3.5196 -3.4834 -3.4834 -3.2950 -3.2950 -3.0308 -3.0308 -2.7525 -2.7525 -2.7343 -2.7343 -2.5425 -2.5425 -2.4864 -2.4864 -2.4092 -2.4092 -2.2983 -2.2983 -2.1508 -2.1508 7.1214 7.1214 k = 0.4436 0.4972-0.1608 ( 10854 PWs) bands (ev): -44.3361 -44.3361 -44.3028 -44.3028 -18.0855 -18.0855 -17.9485 -17.9485 -17.7685 -17.7685 -17.6455 -17.6455 -3.9659 -3.9659 -3.5248 -3.5248 -3.4885 -3.4885 -3.2954 -3.2954 -3.0373 -3.0373 -2.7573 -2.7573 -2.7352 -2.7352 -2.5364 -2.5364 -2.4777 -2.4777 -2.4141 -2.4141 -2.3025 -2.3025 -2.1580 -2.1580 7.1320 7.1320 k = 0.4476 0.5017-0.1446 ( 10854 PWs) bands (ev): -44.3360 -44.3360 -44.3027 -44.3027 -18.0843 -18.0843 -17.9482 -17.9482 -17.7676 -17.7676 -17.6432 -17.6432 -3.9649 -3.9649 -3.5307 -3.5307 -3.4933 -3.4933 -3.2958 -3.2958 -3.0448 -3.0448 -2.7641 -2.7641 -2.7357 -2.7357 -2.5304 -2.5304 -2.4689 -2.4689 -2.4199 -2.4199 -2.3079 -2.3079 -2.1663 -2.1663 7.1450 7.1450 k = 0.4516 0.5062-0.1283 ( 10850 PWs) bands (ev): -44.3359 -44.3359 -44.3027 -44.3027 -18.0829 -18.0829 -17.9475 -17.9475 -17.7664 -17.7664 -17.6408 -17.6408 -3.9636 -3.9636 -3.5371 -3.5371 -3.4981 -3.4981 -3.2961 -3.2961 -3.0530 -3.0530 -2.7726 -2.7726 -2.7359 -2.7359 -2.5247 -2.5247 -2.4603 -2.4603 -2.4264 -2.4264 -2.3145 -2.3145 -2.1757 -2.1757 7.1604 7.1604 k = 0.4556 0.5107-0.1121 ( 10854 PWs) bands (ev): -44.3359 -44.3359 -44.3026 -44.3026 -18.0812 -18.0812 -17.9467 -17.9467 -17.7651 -17.7651 -17.6381 -17.6381 -3.9620 -3.9620 -3.5442 -3.5442 -3.5028 -3.5028 -3.2965 -3.2965 -3.0619 -3.0619 -2.7827 -2.7827 -2.7359 -2.7359 -2.5195 -2.5195 -2.4524 -2.4524 -2.4329 -2.4329 -2.3220 -2.3220 -2.1861 -2.1861 7.1780 7.1780 k = 0.4596 0.5152-0.0958 ( 10853 PWs) bands (ev): -44.3358 -44.3358 -44.3025 -44.3025 -18.0794 -18.0794 -17.9455 -17.9455 -17.7636 -17.7636 -17.6353 -17.6353 -3.9600 -3.9600 -3.5521 -3.5521 -3.5074 -3.5074 -3.2969 -3.2969 -3.0713 -3.0713 -2.7943 -2.7943 -2.7359 -2.7359 -2.5150 -2.5150 -2.4485 -2.4485 -2.4360 -2.4360 -2.3303 -2.3303 -2.1974 -2.1974 7.1976 7.1976 k = 0.4636 0.5196-0.0795 ( 10853 PWs) bands (ev): -44.3356 -44.3356 -44.3024 -44.3024 -18.0773 -18.0773 -17.9441 -17.9441 -17.7619 -17.7619 -17.6323 -17.6323 -3.9578 -3.9578 -3.5609 -3.5609 -3.5120 -3.5120 -3.2973 -3.2973 -3.0811 -3.0811 -2.8071 -2.8071 -2.7359 -2.7359 -2.5118 -2.5118 -2.4521 -2.4521 -2.4318 -2.4318 -2.3394 -2.3394 -2.2092 -2.2092 7.2191 7.2191 k = 0.4677 0.5241-0.0633 ( 10849 PWs) bands (ev): -44.3355 -44.3355 -44.3023 -44.3023 -18.0751 -18.0751 -17.9425 -17.9425 -17.7600 -17.7600 -17.6291 -17.6291 -3.9553 -3.9553 -3.5705 -3.5705 -3.5167 -3.5167 -3.2978 -3.2978 -3.0913 -3.0913 -2.8210 -2.8210 -2.7359 -2.7359 -2.5108 -2.5108 -2.4569 -2.4569 -2.4258 -2.4258 -2.3489 -2.3489 -2.2212 -2.2212 7.2422 7.2422 k = 0.4717 0.5286-0.0470 ( 10851 PWs) bands (ev): -44.3354 -44.3354 -44.3021 -44.3021 -18.0727 -18.0727 -17.9407 -17.9407 -17.7580 -17.7580 -17.6258 -17.6258 -3.9526 -3.9526 -3.5811 -3.5811 -3.5214 -3.5214 -3.2984 -3.2984 -3.1016 -3.1016 -2.8362 -2.8362 -2.7359 -2.7359 -2.5132 -2.5132 -2.4595 -2.4595 -2.4205 -2.4205 -2.3587 -2.3587 -2.2332 -2.2332 7.2667 7.2667 k = 0.4757 0.5331-0.0308 ( 10849 PWs) bands (ev): -44.3353 -44.3353 -44.3020 -44.3020 -18.0701 -18.0701 -17.9386 -17.9386 -17.7559 -17.7559 -17.6223 -17.6223 -3.9497 -3.9497 -3.5927 -3.5927 -3.5263 -3.5263 -3.2990 -3.2990 -3.1121 -3.1121 -2.8524 -2.8524 -2.7360 -2.7360 -2.5194 -2.5194 -2.4591 -2.4591 -2.4169 -2.4169 -2.3684 -2.3684 -2.2447 -2.2447 7.2925 7.2925 k = 0.4797 0.5376-0.0145 ( 10849 PWs) bands (ev): -44.3351 -44.3351 -44.3019 -44.3019 -18.0674 -18.0674 -17.9363 -17.9363 -17.7536 -17.7536 -17.6186 -17.6186 -3.9468 -3.9468 -3.6053 -3.6053 -3.5313 -3.5313 -3.2997 -3.2997 -3.1227 -3.1227 -2.8696 -2.8696 -2.7361 -2.7361 -2.5286 -2.5286 -2.4561 -2.4561 -2.4159 -2.4159 -2.3777 -2.3777 -2.2550 -2.2550 7.3191 7.3191 k = 0.4837 0.5421 0.0018 ( 10848 PWs) bands (ev): -44.3350 -44.3350 -44.3017 -44.3017 -18.0645 -18.0645 -17.9337 -17.9337 -17.7511 -17.7511 -17.6148 -17.6148 -3.9437 -3.9437 -3.6190 -3.6190 -3.5366 -3.5366 -3.3006 -3.3006 -3.1333 -3.1333 -2.8879 -2.8879 -2.7363 -2.7363 -2.5398 -2.5398 -2.4516 -2.4516 -2.4182 -2.4182 -2.3861 -2.3861 -2.2634 -2.2634 7.3465 7.3465 k = 0.4877 0.5466 0.0180 ( 10852 PWs) bands (ev): -44.3348 -44.3348 -44.3016 -44.3016 -18.0615 -18.0615 -17.9310 -17.9310 -17.7486 -17.7486 -17.6109 -17.6109 -3.9407 -3.9407 -3.6335 -3.6335 -3.5421 -3.5421 -3.3015 -3.3015 -3.1438 -3.1438 -2.9070 -2.9070 -2.7366 -2.7366 -2.5521 -2.5521 -2.4463 -2.4463 -2.4240 -2.4240 -2.3936 -2.3936 -2.2696 -2.2696 7.3742 7.3742 k = 0.4917 0.5511 0.0343 ( 10854 PWs) bands (ev): -44.3347 -44.3347 -44.3014 -44.3014 -18.0584 -18.0584 -17.9281 -17.9281 -17.7459 -17.7459 -17.6069 -17.6069 -3.9379 -3.9379 -3.6490 -3.6490 -3.5480 -3.5480 -3.3026 -3.3026 -3.1543 -3.1543 -2.9271 -2.9271 -2.7369 -2.7369 -2.5650 -2.5650 -2.4426 -2.4426 -2.4310 -2.4310 -2.4007 -2.4007 -2.2731 -2.2731 7.4020 7.4020 k = 0.4957 0.5555 0.0505 ( 10850 PWs) bands (ev): -44.3345 -44.3345 -44.3013 -44.3013 -18.0552 -18.0552 -17.9250 -17.9250 -17.7431 -17.7431 -17.6027 -17.6027 -3.9353 -3.9353 -3.6651 -3.6651 -3.5543 -3.5543 -3.3039 -3.3039 -3.1647 -3.1647 -2.9479 -2.9479 -2.7374 -2.7374 -2.5782 -2.5782 -2.4493 -2.4493 -2.4298 -2.4298 -2.4077 -2.4077 -2.2740 -2.2740 7.4297 7.4297 k = 0.4997 0.5600 0.0668 ( 10854 PWs) bands (ev): -44.3343 -44.3343 -44.3011 -44.3011 -18.0520 -18.0520 -17.9218 -17.9218 -17.7402 -17.7402 -17.5984 -17.5984 -3.9331 -3.9331 -3.6818 -3.6818 -3.5609 -3.5609 -3.3053 -3.3053 -3.1752 -3.1752 -2.9693 -2.9693 -2.7382 -2.7382 -2.5913 -2.5913 -2.4627 -2.4627 -2.4240 -2.4240 -2.4143 -2.4143 -2.2728 -2.2728 7.4570 7.4570 k = 0.5037 0.5645 0.0831 ( 10852 PWs) bands (ev): -44.3341 -44.3341 -44.3009 -44.3009 -18.0487 -18.0487 -17.9184 -17.9184 -17.7372 -17.7372 -17.5941 -17.5941 -3.9316 -3.9316 -3.6987 -3.6987 -3.5681 -3.5681 -3.3068 -3.3068 -3.1859 -3.1859 -2.9913 -2.9913 -2.7392 -2.7392 -2.6041 -2.6041 -2.4785 -2.4785 -2.4232 -2.4232 -2.4146 -2.4146 -2.2698 -2.2698 7.4836 7.4836 k = 0.5077 0.5690 0.0993 ( 10848 PWs) bands (ev): -44.3339 -44.3339 -44.3007 -44.3007 -18.0453 -18.0453 -17.9149 -17.9149 -17.7341 -17.7341 -17.5896 -17.5896 -3.9310 -3.9310 -3.7154 -3.7154 -3.5757 -3.5757 -3.3085 -3.3085 -3.1968 -3.1968 -3.0136 -3.0136 -2.7407 -2.7407 -2.6163 -2.6163 -2.4957 -2.4957 -2.4288 -2.4288 -2.4076 -2.4076 -2.2657 -2.2657 7.5093 7.5093 k = 0.5117 0.5735 0.1156 ( 10858 PWs) bands (ev): -44.3337 -44.3337 -44.3006 -44.3006 -18.0420 -18.0420 -17.9112 -17.9112 -17.7310 -17.7310 -17.5851 -17.5851 -3.9316 -3.9316 -3.7317 -3.7317 -3.5839 -3.5839 -3.3104 -3.3104 -3.2081 -3.2081 -3.0359 -3.0359 -2.7428 -2.7428 -2.6276 -2.6276 -2.5140 -2.5140 -2.4342 -2.4342 -2.3998 -2.3998 -2.2607 -2.2607 7.5339 7.5339 k = 0.5157 0.5780 0.1318 ( 10852 PWs) bands (ev): -44.3336 -44.3336 -44.3004 -44.3004 -18.0386 -18.0386 -17.9075 -17.9075 -17.7278 -17.7278 -17.5805 -17.5805 -3.9340 -3.9340 -3.7469 -3.7469 -3.5927 -3.5927 -3.3124 -3.3124 -3.2201 -3.2201 -3.0581 -3.0581 -2.7459 -2.7459 -2.6375 -2.6375 -2.5331 -2.5331 -2.4388 -2.4388 -2.3916 -2.3916 -2.2551 -2.2551 7.5571 7.5571 k = 0.5197 0.5825 0.1481 ( 10844 PWs) bands (ev): -44.3334 -44.3334 -44.3002 -44.3002 -18.0353 -18.0353 -17.9036 -17.9036 -17.7246 -17.7246 -17.5758 -17.5758 -3.9384 -3.9384 -3.7604 -3.7604 -3.6020 -3.6020 -3.3145 -3.3145 -3.2330 -3.2330 -3.0797 -3.0797 -2.7501 -2.7501 -2.6458 -2.6458 -2.5526 -2.5526 -2.4425 -2.4425 -2.3833 -2.3833 -2.2491 -2.2491 7.5788 7.5788 k = 0.5237 0.5870 0.1643 ( 10847 PWs) bands (ev): -44.3332 -44.3332 -44.3000 -44.3000 -18.0320 -18.0320 -17.8997 -17.8997 -17.7213 -17.7213 -17.5712 -17.5712 -3.9454 -3.9454 -3.7719 -3.7719 -3.6120 -3.6120 -3.3167 -3.3167 -3.2471 -3.2471 -3.1004 -3.1004 -2.7556 -2.7556 -2.6522 -2.6522 -2.5723 -2.5723 -2.4453 -2.4453 -2.3747 -2.3747 -2.2428 -2.2428 7.5988 7.5988 k = 0.5277 0.5914 0.1806 ( 10853 PWs) bands (ev): -44.3330 -44.3330 -44.2998 -44.2998 -18.0288 -18.0288 -17.8957 -17.8957 -17.7180 -17.7180 -17.5665 -17.5665 -3.9551 -3.9551 -3.7808 -3.7808 -3.6224 -3.6224 -3.3191 -3.3191 -3.2625 -3.2625 -3.1200 -3.1200 -2.7627 -2.7627 -2.6566 -2.6566 -2.5919 -2.5919 -2.4472 -2.4472 -2.3661 -2.3661 -2.2363 -2.2363 7.6171 7.6171 k = 0.5317 0.5959 0.1969 ( 10857 PWs) bands (ev): -44.3328 -44.3328 -44.2996 -44.2996 -18.0256 -18.0256 -17.8917 -17.8917 -17.7147 -17.7147 -17.5617 -17.5617 -3.9675 -3.9675 -3.7873 -3.7873 -3.6335 -3.6335 -3.3216 -3.3216 -3.2795 -3.2795 -3.1382 -3.1382 -2.7711 -2.7711 -2.6590 -2.6590 -2.6114 -2.6114 -2.4483 -2.4483 -2.3573 -2.3573 -2.2297 -2.2297 7.6334 7.6334 k = 0.5357 0.6004 0.2131 ( 10862 PWs) bands (ev): -44.3326 -44.3326 -44.2995 -44.2995 -18.0226 -18.0226 -17.8877 -17.8877 -17.7114 -17.7114 -17.5570 -17.5570 -3.9823 -3.9823 -3.7915 -3.7915 -3.6450 -3.6450 -3.3243 -3.3243 -3.2979 -3.2979 -3.1549 -3.1549 -2.7808 -2.7808 -2.6596 -2.6596 -2.6305 -2.6305 -2.4485 -2.4485 -2.3484 -2.3484 -2.2231 -2.2231 7.6479 7.6479 k = 0.5397 0.6049 0.2294 ( 10862 PWs) bands (ev): -44.3324 -44.3324 -44.2993 -44.2993 -18.0196 -18.0196 -17.8836 -17.8836 -17.7081 -17.7081 -17.5523 -17.5523 -3.9988 -3.9988 -3.7938 -3.7938 -3.6570 -3.6570 -3.3278 -3.3278 -3.3169 -3.3169 -3.1700 -3.1700 -2.7914 -2.7914 -2.6591 -2.6591 -2.6485 -2.6485 -2.4480 -2.4480 -2.3395 -2.3395 -2.2164 -2.2164 7.6604 7.6604 k = 0.5437 0.6094 0.2456 ( 10866 PWs) bands (ev): -44.3322 -44.3322 -44.2991 -44.2991 -18.0168 -18.0168 -17.8796 -17.8796 -17.7048 -17.7048 -17.5476 -17.5476 -4.0168 -4.0168 -3.7946 -3.7946 -3.6694 -3.6694 -3.3409 -3.3409 -3.3277 -3.3277 -3.1839 -3.1839 -2.8027 -2.8027 -2.6685 -2.6685 -2.6548 -2.6548 -2.4467 -2.4467 -2.3305 -2.3305 -2.2097 -2.2097 7.6710 7.6710 k = 0.5477 0.6139 0.2619 ( 10874 PWs) bands (ev): -44.3320 -44.3320 -44.2989 -44.2989 -18.0142 -18.0142 -17.8755 -17.8755 -17.7016 -17.7016 -17.5429 -17.5429 -4.0355 -4.0355 -3.7943 -3.7943 -3.6821 -3.6821 -3.3621 -3.3621 -3.3311 -3.3311 -3.1967 -3.1967 -2.8146 -2.8146 -2.6855 -2.6855 -2.6517 -2.6517 -2.4448 -2.4448 -2.3214 -2.3214 -2.2031 -2.2031 7.6798 7.6798 k = 0.5517 0.6184 0.2782 ( 10870 PWs) bands (ev): -44.3318 -44.3318 -44.2987 -44.2987 -18.0117 -18.0117 -17.8716 -17.8716 -17.6984 -17.6984 -17.5383 -17.5383 -4.0547 -4.0547 -3.7933 -3.7933 -3.6951 -3.6951 -3.3844 -3.3844 -3.3341 -3.3341 -3.2085 -3.2085 -2.8268 -2.8268 -2.7021 -2.7021 -2.6472 -2.6472 -2.4423 -2.4423 -2.3123 -2.3123 -2.1964 -2.1964 7.6868 7.6868 k = 0.5557 0.6229 0.2944 ( 10865 PWs) bands (ev): -44.3317 -44.3317 -44.2986 -44.2986 -18.0093 -18.0093 -17.8676 -17.8676 -17.6953 -17.6953 -17.5338 -17.5338 -4.0740 -4.0740 -3.7917 -3.7917 -3.7083 -3.7083 -3.4069 -3.4069 -3.3370 -3.3370 -3.2196 -3.2196 -2.8392 -2.8392 -2.7180 -2.7180 -2.6418 -2.6418 -2.4391 -2.4391 -2.3031 -2.3031 -2.1899 -2.1899 7.6921 7.6921 k = 0.5597 0.6273 0.3107 ( 10865 PWs) bands (ev): -44.3315 -44.3315 -44.2984 -44.2984 -18.0072 -18.0072 -17.8638 -17.8638 -17.6922 -17.6922 -17.5293 -17.5293 -4.0930 -4.0930 -3.7899 -3.7899 -3.7216 -3.7216 -3.4293 -3.4293 -3.3400 -3.3400 -3.2301 -3.2301 -2.8518 -2.8518 -2.7331 -2.7331 -2.6356 -2.6356 -2.4355 -2.4355 -2.2940 -2.2940 -2.1834 -2.1834 7.6959 7.6959 k = 0.5638 0.6318 0.3269 ( 10869 PWs) bands (ev): -44.3313 -44.3313 -44.2982 -44.2982 -18.0053 -18.0053 -17.8600 -17.8600 -17.6892 -17.6892 -17.5249 -17.5249 -4.1117 -4.1117 -3.7880 -3.7880 -3.7349 -3.7349 -3.4514 -3.4514 -3.3430 -3.3430 -3.2401 -3.2401 -2.8646 -2.8646 -2.7474 -2.7474 -2.6288 -2.6288 -2.4314 -2.4314 -2.2849 -2.2849 -2.1769 -2.1769 7.6982 7.6982 k = 0.5678 0.6363 0.3432 ( 10860 PWs) bands (ev): -44.3312 -44.3312 -44.2981 -44.2981 -18.0036 -18.0036 -17.8564 -17.8564 -17.6863 -17.6863 -17.5206 -17.5206 -4.1297 -4.1297 -3.7861 -3.7861 -3.7482 -3.7482 -3.4729 -3.4729 -3.3461 -3.3461 -3.2496 -3.2496 -2.8774 -2.8774 -2.7608 -2.7608 -2.6214 -2.6214 -2.4269 -2.4269 -2.2758 -2.2758 -2.1706 -2.1706 7.6992 7.6992 k = 0.5718 0.6408 0.3595 ( 10854 PWs) bands (ev): -44.3310 -44.3310 -44.2979 -44.2979 -18.0021 -18.0021 -17.8529 -17.8529 -17.6836 -17.6836 -17.5164 -17.5164 -4.1470 -4.1470 -3.7843 -3.7843 -3.7613 -3.7613 -3.4935 -3.4935 -3.3493 -3.3493 -3.2588 -3.2588 -2.8902 -2.8902 -2.7733 -2.7733 -2.6135 -2.6135 -2.4220 -2.4220 -2.2667 -2.2667 -2.1643 -2.1643 7.6990 7.6990 k = 0.5758 0.6453 0.3757 ( 10860 PWs) bands (ev): -44.3309 -44.3309 -44.2978 -44.2978 -18.0008 -18.0008 -17.8495 -17.8495 -17.6809 -17.6809 -17.5123 -17.5123 -4.1634 -4.1634 -3.7827 -3.7827 -3.7742 -3.7742 -3.5132 -3.5132 -3.3525 -3.3525 -3.2675 -3.2675 -2.9031 -2.9031 -2.7849 -2.7849 -2.6052 -2.6052 -2.4167 -2.4167 -2.2577 -2.2577 -2.1582 -2.1582 7.6977 7.6977 k = 0.5798 0.6498 0.3920 ( 10863 PWs) bands (ev): -44.3308 -44.3308 -44.2977 -44.2977 -17.9998 -17.9998 -17.8463 -17.8463 -17.6783 -17.6783 -17.5084 -17.5084 -4.1788 -4.1788 -3.7873 -3.7873 -3.7808 -3.7808 -3.5317 -3.5317 -3.3559 -3.3559 -3.2759 -3.2759 -2.9160 -2.9160 -2.7956 -2.7956 -2.5964 -2.5964 -2.4112 -2.4112 -2.2488 -2.2488 -2.1521 -2.1521 7.6954 7.6954 k = 0.5838 0.6543 0.4082 ( 10861 PWs) bands (ev): -44.3306 -44.3306 -44.2976 -44.2976 -17.9991 -17.9991 -17.8433 -17.8433 -17.6759 -17.6759 -17.5046 -17.5046 -4.1932 -4.1932 -3.7995 -3.7995 -3.7798 -3.7798 -3.5490 -3.5490 -3.3593 -3.3593 -3.2837 -3.2837 -2.9289 -2.9289 -2.8056 -2.8056 -2.5873 -2.5873 -2.4055 -2.4055 -2.2400 -2.2400 -2.1462 -2.1462 7.6922 7.6922 k = 0.5878 0.6588 0.4245 ( 10857 PWs) bands (ev): -44.3305 -44.3305 -44.2975 -44.2975 -17.9986 -17.9986 -17.8405 -17.8405 -17.6736 -17.6736 -17.5010 -17.5010 -4.2064 -4.2064 -3.8115 -3.8115 -3.7790 -3.7790 -3.5649 -3.5649 -3.3629 -3.3629 -3.2910 -3.2910 -2.9417 -2.9417 -2.8147 -2.8147 -2.5779 -2.5779 -2.3996 -2.3996 -2.2312 -2.2312 -2.1403 -2.1403 7.6882 7.6882 k = 0.5918 0.6632 0.4407 ( 10849 PWs) bands (ev): -44.3304 -44.3304 -44.2974 -44.2974 -17.9984 -17.9984 -17.8379 -17.8379 -17.6714 -17.6714 -17.4975 -17.4975 -4.2184 -4.2184 -3.8230 -3.8230 -3.7785 -3.7785 -3.5794 -3.5794 -3.3665 -3.3665 -3.2978 -3.2978 -2.9544 -2.9544 -2.8230 -2.8230 -2.5682 -2.5682 -2.3935 -2.3935 -2.2226 -2.2226 -2.1346 -2.1346 7.6834 7.6834 k = 0.5958 0.6677 0.4570 ( 10853 PWs) bands (ev): -44.3303 -44.3303 -44.2973 -44.2973 -17.9985 -17.9985 -17.8354 -17.8354 -17.6694 -17.6694 -17.4942 -17.4942 -4.2292 -4.2292 -3.8341 -3.8341 -3.7782 -3.7782 -3.5923 -3.5923 -3.3703 -3.3703 -3.3040 -3.3040 -2.9670 -2.9670 -2.8305 -2.8305 -2.5583 -2.5583 -2.3872 -2.3872 -2.2141 -2.2141 -2.1291 -2.1291 7.6779 7.6779 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -17.9988 -17.9988 -17.8332 -17.8332 -17.6676 -17.6676 -17.4911 -17.4911 -4.2388 -4.2388 -3.8448 -3.8448 -3.7782 -3.7782 -3.6036 -3.6036 -3.3741 -3.3741 -3.3095 -3.3095 -2.9794 -2.9794 -2.8374 -2.8374 -2.5481 -2.5481 -2.3810 -2.3810 -2.2057 -2.2057 -2.1237 -2.1237 7.6716 7.6716 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -17.9988 -17.9988 -17.8332 -17.8332 -17.6676 -17.6676 -17.4911 -17.4911 -4.2388 -4.2388 -3.8448 -3.8448 -3.7782 -3.7782 -3.6036 -3.6036 -3.3741 -3.3741 -3.3095 -3.3095 -2.9794 -2.9794 -2.8374 -2.8374 -2.5481 -2.5481 -2.3810 -2.3810 -2.2057 -2.2057 -2.1237 -2.1237 7.6716 7.6716 k = 0.5927 0.6642 0.4857 ( 10849 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -17.9979 -17.9979 -17.8372 -17.8372 -17.6669 -17.6669 -17.4856 -17.4856 -4.2448 -4.2448 -3.8586 -3.8586 -3.7854 -3.7854 -3.6237 -3.6237 -3.3802 -3.3802 -3.2905 -3.2905 -2.9821 -2.9821 -2.8491 -2.8491 -2.5385 -2.5385 -2.3730 -2.3730 -2.1919 -2.1919 -2.1115 -2.1115 7.6634 7.6634 k = 0.5855 0.6562 0.4981 ( 10847 PWs) bands (ev): -44.3302 -44.3302 -44.2971 -44.2971 -17.9969 -17.9969 -17.8410 -17.8410 -17.6662 -17.6662 -17.4804 -17.4804 -4.2501 -4.2501 -3.8716 -3.8716 -3.7921 -3.7921 -3.6428 -3.6428 -3.3860 -3.3860 -3.2714 -3.2714 -2.9846 -2.9846 -2.8614 -2.8614 -2.5296 -2.5296 -2.3652 -2.3652 -2.1789 -2.1789 -2.1002 -2.1002 7.6551 7.6551 k = 0.5784 0.6483 0.5105 ( 10861 PWs) bands (ev): -44.3301 -44.3301 -44.2971 -44.2971 -17.9959 -17.9959 -17.8448 -17.8448 -17.6656 -17.6656 -17.4755 -17.4755 -4.2547 -4.2547 -3.8836 -3.8836 -3.7983 -3.7983 -3.6607 -3.6607 -3.3916 -3.3916 -3.2525 -3.2525 -2.9868 -2.9868 -2.8743 -2.8743 -2.5213 -2.5213 -2.3576 -2.3576 -2.1668 -2.1668 -2.0897 -2.0897 7.6469 7.6469 k = 0.5713 0.6403 0.5230 ( 10867 PWs) bands (ev): -44.3301 -44.3301 -44.2971 -44.2971 -17.9948 -17.9948 -17.8483 -17.8483 -17.6651 -17.6651 -17.4710 -17.4710 -4.2587 -4.2587 -3.8946 -3.8946 -3.8040 -3.8040 -3.6773 -3.6773 -3.3968 -3.3968 -3.2337 -3.2337 -2.9887 -2.9887 -2.8876 -2.8876 -2.5138 -2.5138 -2.3503 -2.3503 -2.1555 -2.1555 -2.0802 -2.0802 7.6388 7.6388 k = 0.5642 0.6323 0.5354 ( 10869 PWs) bands (ev): -44.3301 -44.3301 -44.2971 -44.2971 -17.9938 -17.9938 -17.8517 -17.8517 -17.6646 -17.6646 -17.4669 -17.4669 -4.2622 -4.2622 -3.9047 -3.9047 -3.8091 -3.8091 -3.6926 -3.6926 -3.4017 -3.4017 -3.2150 -3.2150 -2.9905 -2.9905 -2.9014 -2.9014 -2.5070 -2.5070 -2.3435 -2.3435 -2.1453 -2.1453 -2.0716 -2.0716 7.6312 7.6312 k = 0.5570 0.6243 0.5478 ( 10856 PWs) bands (ev): -44.3301 -44.3301 -44.2970 -44.2970 -17.9927 -17.9927 -17.8548 -17.8548 -17.6641 -17.6641 -17.4632 -17.4632 -4.2651 -4.2651 -3.9138 -3.9138 -3.8138 -3.8138 -3.7065 -3.7065 -3.4061 -3.4061 -3.1965 -3.1965 -2.9920 -2.9920 -2.9155 -2.9155 -2.5008 -2.5008 -2.3371 -2.3371 -2.1360 -2.1360 -2.0639 -2.0639 7.6240 7.6240 k = 0.5499 0.6163 0.5602 ( 10862 PWs) bands (ev): -44.3301 -44.3301 -44.2970 -44.2970 -17.9917 -17.9917 -17.8577 -17.8577 -17.6637 -17.6637 -17.4599 -17.4599 -4.2675 -4.2675 -3.9219 -3.9219 -3.8179 -3.8179 -3.7189 -3.7189 -3.4100 -3.4100 -3.1783 -3.1783 -2.9933 -2.9933 -2.9299 -2.9299 -2.4954 -2.4954 -2.3314 -2.3314 -2.1277 -2.1277 -2.0571 -2.0571 7.6173 7.6173 k = 0.5428 0.6083 0.5727 ( 10868 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9908 -17.9908 -17.8603 -17.8603 -17.6633 -17.6633 -17.4570 -17.4570 -4.2695 -4.2695 -3.9289 -3.9289 -3.8216 -3.8216 -3.7298 -3.7298 -3.4135 -3.4135 -3.1605 -3.1605 -2.9944 -2.9944 -2.9444 -2.9444 -2.4907 -2.4907 -2.3262 -2.3262 -2.1205 -2.1205 -2.0512 -2.0512 7.6114 7.6114 k = 0.5356 0.6003 0.5851 ( 10865 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9900 -17.9900 -17.8625 -17.8625 -17.6630 -17.6630 -17.4545 -17.4545 -4.2711 -4.2711 -3.9348 -3.9348 -3.8247 -3.8247 -3.7391 -3.7391 -3.4165 -3.4165 -3.1430 -3.1430 -2.9954 -2.9954 -2.9591 -2.9591 -2.4867 -2.4867 -2.3217 -2.3217 -2.1143 -2.1143 -2.0462 -2.0462 7.6062 7.6062 k = 0.5285 0.5923 0.5975 ( 10868 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9892 -17.9892 -17.8644 -17.8644 -17.6627 -17.6627 -17.4525 -17.4525 -4.2723 -4.2723 -3.9397 -3.9397 -3.8272 -3.8272 -3.7468 -3.7468 -3.4189 -3.4189 -3.1262 -3.1262 -2.9961 -2.9961 -2.9737 -2.9737 -2.4834 -2.4834 -2.3180 -2.3180 -2.1093 -2.1093 -2.0422 -2.0422 7.6019 7.6019 k = 0.5214 0.5843 0.6099 ( 10870 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9887 -17.9887 -17.8659 -17.8659 -17.6625 -17.6625 -17.4509 -17.4509 -4.2732 -4.2732 -3.9436 -3.9436 -3.8293 -3.8293 -3.7527 -3.7527 -3.4209 -3.4209 -3.1104 -3.1104 -2.9968 -2.9968 -2.9877 -2.9877 -2.4808 -2.4808 -2.3151 -2.3151 -2.1053 -2.1053 -2.0390 -2.0390 7.5984 7.5984 k = 0.5143 0.5764 0.6223 ( 10866 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9882 -17.9882 -17.8670 -17.8670 -17.6624 -17.6624 -17.4498 -17.4498 -4.2739 -4.2739 -3.9463 -3.9463 -3.8307 -3.8307 -3.7570 -3.7570 -3.4223 -3.4223 -3.0962 -3.0962 -3.0011 -3.0011 -2.9968 -2.9968 -2.4790 -2.4790 -2.3130 -2.3130 -2.1025 -2.1025 -2.0368 -2.0368 7.5959 7.5959 k = 0.5071 0.5684 0.6348 ( 10874 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9880 -17.9880 -17.8676 -17.8676 -17.6623 -17.6623 -17.4491 -17.4491 -4.2742 -4.2742 -3.9479 -3.9479 -3.8316 -3.8316 -3.7596 -3.7596 -3.4231 -3.4231 -3.0854 -3.0854 -3.0109 -3.0109 -2.9972 -2.9972 -2.4779 -2.4779 -2.3117 -2.3117 -2.1008 -2.1008 -2.0354 -2.0354 7.5944 7.5944 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9879 -17.9879 -17.8679 -17.8679 -17.6623 -17.6623 -17.4489 -17.4489 -4.2744 -4.2744 -3.9485 -3.9485 -3.8319 -3.8319 -3.7605 -3.7605 -3.4234 -3.4234 -3.0811 -3.0811 -3.0150 -3.0150 -2.9973 -2.9973 -2.4775 -2.4775 -2.3112 -2.3112 -2.1003 -2.1003 -2.0350 -2.0350 7.5939 7.5939 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9879 -17.9879 -17.8679 -17.8679 -17.6623 -17.6623 -17.4489 -17.4489 -4.2744 -4.2744 -3.9485 -3.9485 -3.8319 -3.8319 -3.7605 -3.7605 -3.4234 -3.4234 -3.0811 -3.0811 -3.0150 -3.0150 -2.9973 -2.9973 -2.4775 -2.4775 -2.3112 -2.3112 -2.1003 -2.1003 -2.0350 -2.0350 7.5939 7.5939 k = 0.5128 0.5490 0.6472 ( 10872 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9877 -17.9877 -17.8679 -17.8679 -17.6623 -17.6623 -17.4490 -17.4490 -4.2736 -4.2736 -3.9491 -3.9491 -3.8315 -3.8315 -3.7593 -3.7593 -3.4236 -3.4236 -3.0812 -3.0812 -3.0156 -3.0156 -2.9975 -2.9975 -2.4772 -2.4772 -2.3118 -2.3118 -2.1004 -2.1004 -2.0356 -2.0356 7.5946 7.5946 k = 0.5256 0.5375 0.6472 ( 10870 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9874 -17.9874 -17.8679 -17.8679 -17.6623 -17.6623 -17.4493 -17.4493 -4.2712 -4.2712 -3.9511 -3.9511 -3.8302 -3.8302 -3.7557 -3.7557 -3.4244 -3.4244 -3.0817 -3.0817 -3.0175 -3.0175 -2.9980 -2.9980 -2.4763 -2.4763 -2.3134 -2.3134 -2.1009 -2.1009 -2.0376 -2.0376 7.5967 7.5967 k = 0.5384 0.5261 0.6472 ( 10878 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9868 -17.9868 -17.8680 -17.8680 -17.6623 -17.6623 -17.4499 -17.4499 -4.2673 -4.2673 -3.9541 -3.9541 -3.8282 -3.8282 -3.7499 -3.7499 -3.4256 -3.4256 -3.0824 -3.0824 -3.0206 -3.0206 -2.9989 -2.9989 -2.4749 -2.4749 -2.3161 -2.3161 -2.1017 -2.1017 -2.0408 -2.0408 7.6001 7.6001 k = 0.5512 0.5147 0.6472 ( 10872 PWs) bands (ev): -44.3300 -44.3300 -44.2970 -44.2970 -17.9860 -17.9860 -17.8680 -17.8680 -17.6624 -17.6624 -17.4507 -17.4507 -4.2618 -4.2618 -3.9579 -3.9579 -3.8255 -3.8255 -3.7420 -3.7420 -3.4274 -3.4274 -3.0834 -3.0834 -3.0250 -3.0250 -3.0000 -3.0000 -2.4729 -2.4729 -2.3197 -2.3197 -2.1029 -2.1029 -2.0454 -2.0454 7.6047 7.6047 k = 0.5640 0.5033 0.6472 ( 10864 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9850 -17.9850 -17.8681 -17.8681 -17.6625 -17.6625 -17.4517 -17.4517 -4.2548 -4.2548 -3.9622 -3.9622 -3.8223 -3.8223 -3.7322 -3.7322 -3.4296 -3.4296 -3.0846 -3.0846 -3.0304 -3.0304 -3.0016 -3.0016 -2.4704 -2.4704 -2.3244 -2.3244 -2.1045 -2.1045 -2.0512 -2.0512 7.6104 7.6104 k = 0.5768 0.4919 0.6472 ( 10864 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9838 -17.9838 -17.8682 -17.8682 -17.6625 -17.6625 -17.4530 -17.4530 -4.2462 -4.2462 -3.9668 -3.9668 -3.8185 -3.8185 -3.7208 -3.7208 -3.4323 -3.4323 -3.0862 -3.0862 -3.0367 -3.0367 -3.0034 -3.0034 -2.4676 -2.4676 -2.3299 -2.3299 -2.1065 -2.1065 -2.0583 -2.0583 7.6172 7.6172 k = 0.5896 0.4805 0.6472 ( 10866 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9823 -17.9823 -17.8684 -17.8684 -17.6626 -17.6626 -17.4545 -17.4545 -4.2362 -4.2362 -3.9716 -3.9716 -3.8143 -3.8143 -3.7079 -3.7079 -3.4354 -3.4354 -3.0881 -3.0881 -3.0440 -3.0440 -3.0055 -3.0055 -2.4645 -2.4645 -2.3363 -2.3363 -2.1089 -2.1089 -2.0667 -2.0667 7.6247 7.6247 k = 0.6024 0.4690 0.6472 ( 10868 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9807 -17.9807 -17.8685 -17.8685 -17.6627 -17.6627 -17.4561 -17.4561 -4.2248 -4.2248 -3.9762 -3.9762 -3.8096 -3.8096 -3.6939 -3.6939 -3.4389 -3.4389 -3.0903 -3.0903 -3.0521 -3.0521 -3.0079 -3.0079 -2.4611 -2.4611 -2.3434 -2.3434 -2.1119 -2.1119 -2.0763 -2.0763 7.6328 7.6328 k = 0.6152 0.4576 0.6472 ( 10874 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9788 -17.9788 -17.8687 -17.8687 -17.6628 -17.6628 -17.4580 -17.4580 -4.2119 -4.2119 -3.9807 -3.9807 -3.8045 -3.8045 -3.6787 -3.6787 -3.4428 -3.4428 -3.0929 -3.0929 -3.0607 -3.0607 -3.0106 -3.0106 -2.4577 -2.4577 -2.3513 -2.3513 -2.1153 -2.1153 -2.0871 -2.0871 7.6412 7.6412 k = 0.6280 0.4462 0.6472 ( 10866 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9768 -17.9768 -17.8689 -17.8689 -17.6629 -17.6629 -17.4601 -17.4601 -4.1977 -4.1977 -3.9849 -3.9849 -3.7988 -3.7988 -3.6627 -3.6627 -3.4471 -3.4471 -3.0958 -3.0958 -3.0698 -3.0698 -3.0135 -3.0135 -2.4543 -2.4543 -2.3596 -2.3596 -2.1192 -2.1192 -2.0991 -2.0991 7.6498 7.6498 k = 0.6408 0.4348 0.6472 ( 10876 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9746 -17.9746 -17.8691 -17.8691 -17.6630 -17.6630 -17.4625 -17.4625 -4.1822 -4.1822 -3.9887 -3.9887 -3.7927 -3.7927 -3.6460 -3.6460 -3.4516 -3.4516 -3.0992 -3.0992 -3.0793 -3.0793 -3.0166 -3.0166 -2.4510 -2.4510 -2.3685 -2.3685 -2.1238 -2.1238 -2.1122 -2.1122 7.6582 7.6582 k = 0.6536 0.4234 0.6472 ( 10868 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9722 -17.9722 -17.8693 -17.8693 -17.6630 -17.6630 -17.4650 -17.4650 -4.1655 -4.1655 -3.9921 -3.9921 -3.7860 -3.7860 -3.6286 -3.6286 -3.4563 -3.4563 -3.1033 -3.1033 -3.0887 -3.0887 -3.0199 -3.0199 -2.4479 -2.4479 -2.3778 -2.3778 -2.1294 -2.1294 -2.1260 -2.1260 7.6661 7.6661 k = 0.6664 0.4119 0.6472 ( 10876 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9697 -17.9697 -17.8695 -17.8695 -17.6630 -17.6630 -17.4677 -17.4677 -4.1476 -4.1476 -3.9951 -3.9951 -3.7789 -3.7789 -3.6108 -3.6108 -3.4613 -3.4613 -3.1084 -3.1084 -3.0977 -3.0977 -3.0233 -3.0233 -2.4451 -2.4451 -2.3873 -2.3873 -2.1421 -2.1421 -2.1341 -2.1341 7.6734 7.6734 k = 0.6792 0.4005 0.6472 ( 10856 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9670 -17.9670 -17.8697 -17.8697 -17.6630 -17.6630 -17.4705 -17.4705 -4.1287 -4.1287 -3.9976 -3.9976 -3.7712 -3.7712 -3.5927 -3.5927 -3.4662 -3.4662 -3.1154 -3.1154 -3.1054 -3.1054 -3.0269 -3.0269 -2.4430 -2.4430 -2.3968 -2.3968 -2.1582 -2.1582 -2.1405 -2.1405 7.6798 7.6798 k = 0.3208-0.2863 0.9250 ( 10856 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9670 -17.9670 -17.8697 -17.8697 -17.6630 -17.6630 -17.4705 -17.4705 -4.1287 -4.1287 -3.9976 -3.9976 -3.7712 -3.7712 -3.5927 -3.5927 -3.4662 -3.4662 -3.1154 -3.1154 -3.1054 -3.1054 -3.0269 -3.0269 -2.4430 -2.4430 -2.3968 -2.3968 -2.1582 -2.1582 -2.1405 -2.1405 7.6798 7.6798 k = 0.3080-0.2748 0.9250 ( 10858 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9643 -17.9643 -17.8700 -17.8700 -17.6629 -17.6629 -17.4736 -17.4736 -4.1088 -4.1088 -3.9997 -3.9997 -3.7630 -3.7630 -3.5742 -3.5742 -3.4712 -3.4712 -3.1241 -3.1241 -3.1118 -3.1118 -3.0304 -3.0304 -2.4417 -2.4417 -2.4062 -2.4062 -2.1752 -2.1752 -2.1475 -2.1475 7.6850 7.6850 k = 0.2952-0.2634 0.9250 ( 10862 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9614 -17.9614 -17.8702 -17.8702 -17.6628 -17.6628 -17.4768 -17.4768 -4.0880 -4.0880 -4.0013 -4.0013 -3.7542 -3.7542 -3.5557 -3.5557 -3.4760 -3.4760 -3.1337 -3.1337 -3.1177 -3.1177 -3.0340 -3.0340 -2.4417 -2.4417 -2.4150 -2.4150 -2.1929 -2.1929 -2.1550 -2.1550 7.6890 7.6890 k = 0.2823-0.2519 0.9250 ( 10862 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9584 -17.9584 -17.8705 -17.8705 -17.6626 -17.6626 -17.4802 -17.4802 -4.0666 -4.0666 -4.0025 -4.0025 -3.7450 -3.7450 -3.5372 -3.5372 -3.4806 -3.4806 -3.1435 -3.1435 -3.1239 -3.1239 -3.0374 -3.0374 -2.4439 -2.4439 -2.4226 -2.4226 -2.2111 -2.2111 -2.1632 -2.1632 7.6916 7.6916 k = 0.2695-0.2405 0.9250 ( 10854 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9553 -17.9553 -17.8707 -17.8707 -17.6624 -17.6624 -17.4837 -17.4837 -4.0447 -4.0447 -4.0033 -4.0033 -3.7352 -3.7352 -3.5189 -3.5189 -3.4845 -3.4845 -3.1533 -3.1533 -3.1304 -3.1304 -3.0406 -3.0406 -2.4488 -2.4488 -2.4284 -2.4284 -2.2294 -2.2294 -2.1720 -2.1720 7.6929 7.6929 k = 0.2567-0.2290 0.9250 ( 10846 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9522 -17.9522 -17.8710 -17.8710 -17.6621 -17.6621 -17.4873 -17.4873 -4.0224 -4.0224 -4.0037 -4.0037 -3.7249 -3.7249 -3.5016 -3.5016 -3.4871 -3.4871 -3.1629 -3.1629 -3.1375 -3.1375 -3.0435 -3.0435 -2.4559 -2.4559 -2.4332 -2.4332 -2.2475 -2.2475 -2.1813 -2.1813 7.6928 7.6928 k = 0.2438-0.2176 0.9250 ( 10838 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9491 -17.9491 -17.8713 -17.8713 -17.6617 -17.6617 -17.4910 -17.4910 -4.0040 -4.0040 -3.9996 -3.9996 -3.7141 -3.7141 -3.4935 -3.4935 -3.4801 -3.4801 -3.1723 -3.1723 -3.1452 -3.1452 -3.0461 -3.0461 -2.4641 -2.4641 -2.4386 -2.4386 -2.2648 -2.2648 -2.1913 -2.1913 7.6915 7.6915 k = 0.2310-0.2061 0.9250 ( 10830 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9460 -17.9460 -17.8715 -17.8715 -17.6612 -17.6612 -17.4949 -17.4949 -4.0035 -4.0035 -3.9776 -3.9776 -3.7028 -3.7028 -3.4942 -3.4942 -3.4638 -3.4638 -3.1813 -3.1813 -3.1536 -3.1536 -3.0483 -3.0483 -2.4726 -2.4726 -2.4457 -2.4457 -2.2809 -2.2809 -2.2018 -2.2018 7.6890 7.6890 k = 0.2182-0.1947 0.9250 ( 10822 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9428 -17.9428 -17.8718 -17.8718 -17.6607 -17.6607 -17.4988 -17.4988 -4.0028 -4.0028 -3.9557 -3.9557 -3.6910 -3.6910 -3.4945 -3.4945 -3.4472 -3.4472 -3.1900 -3.1900 -3.1625 -3.1625 -3.0500 -3.0500 -2.4812 -2.4812 -2.4551 -2.4551 -2.2951 -2.2951 -2.2129 -2.2129 7.6855 7.6855 k = 0.2053-0.1832 0.9250 ( 10828 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -17.9397 -17.9397 -17.8721 -17.8721 -17.6600 -17.6600 -17.5028 -17.5028 -4.0019 -4.0019 -3.9346 -3.9346 -3.6787 -3.6787 -3.4934 -3.4934 -3.4311 -3.4311 -3.1984 -3.1984 -3.1721 -3.1721 -3.0512 -3.0512 -2.4902 -2.4902 -2.4669 -2.4669 -2.3070 -2.3070 -2.2244 -2.2244 7.6811 7.6811 k = 0.1925-0.1718 0.9250 ( 10836 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9367 -17.9367 -17.8723 -17.8723 -17.6592 -17.6592 -17.5068 -17.5068 -4.0008 -4.0008 -3.9144 -3.9144 -3.6660 -3.6660 -3.4905 -3.4905 -3.4159 -3.4159 -3.2064 -3.2064 -3.1823 -3.1823 -3.0518 -3.0518 -2.5006 -2.5006 -2.4798 -2.4798 -2.3165 -2.3165 -2.2365 -2.2365 7.6761 7.6761 k = 0.1797-0.1603 0.9250 ( 10846 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9337 -17.9337 -17.8726 -17.8726 -17.6584 -17.6584 -17.5108 -17.5108 -3.9995 -3.9995 -3.8957 -3.8957 -3.6528 -3.6528 -3.4856 -3.4856 -3.4016 -3.4016 -3.2141 -3.2141 -3.1930 -3.1930 -3.0519 -3.0519 -2.5152 -2.5152 -2.4907 -2.4907 -2.3237 -2.3237 -2.2489 -2.2489 7.6706 7.6706 k = 0.1668-0.1489 0.9250 ( 10854 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9308 -17.9308 -17.8728 -17.8728 -17.6575 -17.6575 -17.5148 -17.5148 -3.9980 -3.9980 -3.8786 -3.8786 -3.6391 -3.6391 -3.4784 -3.4784 -3.3884 -3.3884 -3.2216 -3.2216 -3.2040 -3.2040 -3.0513 -3.0513 -2.5349 -2.5349 -2.4984 -2.4984 -2.3290 -2.3290 -2.2617 -2.2617 7.6647 7.6647 k = 0.1540-0.1374 0.9250 ( 10850 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9281 -17.9281 -17.8730 -17.8730 -17.6565 -17.6565 -17.5188 -17.5188 -3.9965 -3.9965 -3.8634 -3.8634 -3.6251 -3.6251 -3.4687 -3.4687 -3.3764 -3.3764 -3.2293 -3.2293 -3.2150 -3.2150 -3.0502 -3.0502 -2.5580 -2.5580 -2.5036 -2.5036 -2.3329 -2.3329 -2.2748 -2.2748 7.6586 7.6586 k = 0.1412-0.1260 0.9250 ( 10838 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9254 -17.9254 -17.8732 -17.8732 -17.6554 -17.6554 -17.5227 -17.5227 -3.9948 -3.9948 -3.8502 -3.8502 -3.6108 -3.6108 -3.4566 -3.4566 -3.3658 -3.3658 -3.2378 -3.2378 -3.2250 -3.2250 -3.0486 -3.0486 -2.5831 -2.5831 -2.5071 -2.5071 -2.3356 -2.3356 -2.2882 -2.2882 7.6525 7.6525 k = 0.1283-0.1145 0.9250 ( 10848 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9229 -17.9229 -17.8734 -17.8734 -17.6542 -17.6542 -17.5265 -17.5265 -3.9932 -3.9932 -3.8391 -3.8391 -3.5961 -3.5961 -3.4422 -3.4422 -3.3566 -3.3566 -3.2479 -3.2479 -3.2331 -3.2331 -3.0466 -3.0466 -2.6095 -2.6095 -2.5093 -2.5093 -2.3376 -2.3376 -2.3016 -2.3016 7.6466 7.6466 k = 0.1155-0.1031 0.9250 ( 10860 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9206 -17.9206 -17.8736 -17.8736 -17.6530 -17.6530 -17.5301 -17.5301 -3.9916 -3.9916 -3.8301 -3.8301 -3.5811 -3.5811 -3.4257 -3.4257 -3.3490 -3.3490 -3.2594 -3.2594 -3.2394 -3.2394 -3.0442 -3.0442 -2.6365 -2.6365 -2.5102 -2.5102 -2.3390 -2.3390 -2.3151 -2.3151 7.6408 7.6408 k = 0.1027-0.0916 0.9250 ( 10852 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9185 -17.9185 -17.8738 -17.8738 -17.6518 -17.6518 -17.5336 -17.5336 -3.9900 -3.9900 -3.8228 -3.8228 -3.5659 -3.5659 -3.4077 -3.4077 -3.3433 -3.3433 -3.2710 -3.2710 -3.2447 -3.2447 -3.0415 -3.0415 -2.6635 -2.6635 -2.5099 -2.5099 -2.3403 -2.3403 -2.3284 -2.3284 7.6353 7.6353 k = 0.0898-0.0802 0.9250 ( 10850 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9166 -17.9166 -17.8739 -17.8739 -17.6506 -17.6506 -17.5368 -17.5368 -3.9885 -3.9885 -3.8171 -3.8171 -3.5506 -3.5506 -3.3887 -3.3887 -3.3401 -3.3401 -3.2818 -3.2818 -3.2491 -3.2491 -3.0388 -3.0388 -2.6901 -2.6901 -2.5084 -2.5084 -2.3439 -2.3439 -2.3387 -2.3387 7.6303 7.6303 k = 0.0770-0.0687 0.9250 ( 10848 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9150 -17.9150 -17.8741 -17.8741 -17.6495 -17.6495 -17.5397 -17.5397 -3.9871 -3.9871 -3.8128 -3.8128 -3.5353 -3.5353 -3.3698 -3.3698 -3.3401 -3.3401 -3.2903 -3.2903 -3.2530 -3.2530 -3.0360 -3.0360 -2.7156 -2.7156 -2.5060 -2.5060 -2.3555 -2.3555 -2.3405 -2.3405 7.6258 7.6258 k = 0.0642-0.0573 0.9250 ( 10842 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9135 -17.9135 -17.8742 -17.8742 -17.6484 -17.6484 -17.5423 -17.5423 -3.9859 -3.9859 -3.8096 -3.8096 -3.5201 -3.5201 -3.3544 -3.3544 -3.3412 -3.3412 -3.2956 -3.2956 -3.2564 -3.2564 -3.0334 -3.0334 -2.7394 -2.7394 -2.5026 -2.5026 -2.3677 -2.3677 -2.3410 -2.3410 7.6219 7.6219 k = 0.0513-0.0458 0.9250 ( 10840 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9123 -17.9123 -17.8743 -17.8743 -17.6474 -17.6474 -17.5446 -17.5446 -3.9849 -3.9849 -3.8074 -3.8074 -3.5053 -3.5053 -3.3566 -3.3566 -3.3296 -3.3296 -3.2978 -3.2978 -3.2593 -3.2593 -3.0311 -3.0311 -2.7607 -2.7607 -2.4986 -2.4986 -2.3790 -2.3790 -2.3412 -2.3412 7.6186 7.6186 k = 0.0385-0.0344 0.9250 ( 10832 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9114 -17.9114 -17.8743 -17.8743 -17.6466 -17.6466 -17.5464 -17.5464 -3.9841 -3.9841 -3.8058 -3.8058 -3.4913 -3.4913 -3.3662 -3.3662 -3.3150 -3.3150 -3.2980 -3.2980 -3.2620 -3.2620 -3.0292 -3.0292 -2.7787 -2.7787 -2.4943 -2.4943 -2.3890 -2.3890 -2.3414 -2.3414 7.6160 7.6160 k = 0.0257-0.0229 0.9250 ( 10830 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9107 -17.9107 -17.8744 -17.8744 -17.6460 -17.6460 -17.5477 -17.5477 -3.9835 -3.9835 -3.8047 -3.8047 -3.4791 -3.4791 -3.3762 -3.3762 -3.3041 -3.3041 -3.2962 -3.2962 -3.2643 -3.2643 -3.0278 -3.0278 -2.7924 -2.7924 -2.4903 -2.4903 -2.3971 -2.3971 -2.3415 -2.3415 7.6141 7.6141 k = 0.0128-0.0115 0.9250 ( 10828 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9103 -17.9103 -17.8744 -17.8744 -17.6457 -17.6457 -17.5485 -17.5485 -3.9831 -3.9831 -3.8041 -3.8041 -3.4702 -3.4702 -3.3841 -3.3841 -3.3003 -3.3003 -3.2911 -3.2911 -3.2664 -3.2664 -3.0269 -3.0269 -2.8011 -2.8011 -2.4874 -2.4874 -2.4025 -2.4025 -2.3416 -2.3416 7.6129 7.6129 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9102 -17.9102 -17.8744 -17.8744 -17.6455 -17.6455 -17.5488 -17.5488 -3.9830 -3.9830 -3.8040 -3.8040 -3.4667 -3.4667 -3.3872 -3.3872 -3.2998 -3.2998 -3.2883 -3.2883 -3.2673 -3.2673 -3.0266 -3.0266 -2.8041 -2.8041 -2.4864 -2.4864 -2.4044 -2.4044 -2.3416 -2.3416 7.6125 7.6125 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9102 -17.9102 -17.8744 -17.8744 -17.6455 -17.6455 -17.5488 -17.5488 -3.9830 -3.9830 -3.8040 -3.8040 -3.4667 -3.4667 -3.3872 -3.3872 -3.2998 -3.2998 -3.2883 -3.2883 -3.2673 -3.2673 -3.0266 -3.0266 -2.8041 -2.8041 -2.4864 -2.4864 -2.4044 -2.4044 -2.3416 -2.3416 7.6125 7.6125 k = 0.0116 0.0130 0.9250 ( 10822 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9113 -17.9113 -17.8732 -17.8732 -17.6456 -17.6456 -17.5489 -17.5489 -3.9824 -3.9824 -3.8056 -3.8056 -3.4664 -3.4664 -3.3877 -3.3877 -3.3063 -3.3063 -3.2870 -3.2870 -3.2600 -3.2600 -3.0272 -3.0272 -2.8039 -2.8039 -2.4864 -2.4864 -2.4045 -2.4045 -2.3415 -2.3415 7.6127 7.6127 k = 0.0232 0.0260 0.9250 ( 10832 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9142 -17.9142 -17.8700 -17.8700 -17.6457 -17.6457 -17.5492 -17.5492 -3.9805 -3.9805 -3.8105 -3.8105 -3.4652 -3.4652 -3.3892 -3.3892 -3.3199 -3.3199 -3.2813 -3.2813 -3.2463 -3.2463 -3.0289 -3.0289 -2.8033 -2.8033 -2.4866 -2.4866 -2.4045 -2.4045 -2.3412 -2.3412 7.6132 7.6132 k = 0.0348 0.0390 0.9250 ( 10829 PWs) bands (ev): -44.3301 -44.3301 -44.2968 -44.2968 -17.9184 -17.9184 -17.8654 -17.8654 -17.6460 -17.6460 -17.5497 -17.5497 -3.9773 -3.9773 -3.8183 -3.8183 -3.4633 -3.4633 -3.3916 -3.3916 -3.3353 -3.3353 -3.2716 -3.2716 -3.2311 -3.2311 -3.0317 -3.0317 -2.8024 -2.8024 -2.4869 -2.4869 -2.4047 -2.4047 -2.3408 -2.3408 7.6140 7.6140 k = 0.0464 0.0521 0.9250 ( 10833 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9231 -17.9231 -17.8600 -17.8600 -17.6463 -17.6463 -17.5504 -17.5504 -3.9728 -3.9728 -3.8287 -3.8287 -3.4607 -3.4607 -3.3947 -3.3947 -3.3512 -3.3512 -3.2586 -3.2586 -3.2156 -3.2156 -3.0355 -3.0355 -2.8010 -2.8010 -2.4873 -2.4873 -2.4048 -2.4048 -2.3403 -2.3403 7.6151 7.6151 k = 0.0581 0.0651 0.9250 ( 10836 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9281 -17.9281 -17.8542 -17.8542 -17.6467 -17.6467 -17.5513 -17.5513 -3.9671 -3.9671 -3.8413 -3.8413 -3.4574 -3.4574 -3.3987 -3.3987 -3.3672 -3.3672 -3.2429 -3.2429 -3.2001 -3.2001 -3.0404 -3.0404 -2.7993 -2.7993 -2.4876 -2.4876 -2.4050 -2.4050 -2.3397 -2.3397 7.6166 7.6166 k = 0.0697 0.0781 0.9250 ( 10834 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9332 -17.9332 -17.8481 -17.8481 -17.6473 -17.6473 -17.5524 -17.5524 -3.9602 -3.9602 -3.8557 -3.8557 -3.4535 -3.4535 -3.4034 -3.4034 -3.3831 -3.3831 -3.2250 -3.2250 -3.1849 -3.1849 -3.0463 -3.0463 -2.7971 -2.7971 -2.4880 -2.4880 -2.4053 -2.4053 -2.3389 -2.3389 7.6183 7.6183 k = 0.0813 0.0911 0.9250 ( 10838 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9383 -17.9383 -17.8419 -17.8419 -17.6479 -17.6479 -17.5537 -17.5537 -3.9520 -3.9520 -3.8714 -3.8714 -3.4491 -3.4491 -3.4092 -3.4092 -3.3983 -3.3983 -3.2056 -3.2056 -3.1699 -3.1699 -3.0530 -3.0530 -2.7945 -2.7945 -2.4883 -2.4883 -2.4055 -2.4055 -2.3381 -2.3381 7.6204 7.6204 k = 0.0929 0.1041 0.9250 ( 10837 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9433 -17.9433 -17.8357 -17.8357 -17.6486 -17.6486 -17.5551 -17.5551 -3.9427 -3.9427 -3.8881 -3.8881 -3.4445 -3.4445 -3.4182 -3.4182 -3.4103 -3.4103 -3.1851 -3.1851 -3.1552 -3.1552 -3.0603 -3.0603 -2.7914 -2.7914 -2.4884 -2.4884 -2.4057 -2.4057 -2.3372 -2.3372 7.6228 7.6228 k = 0.1045 0.1171 0.9250 ( 10831 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -17.9483 -17.9483 -17.8295 -17.8295 -17.6493 -17.6493 -17.5566 -17.5566 -3.9322 -3.9322 -3.9054 -3.9054 -3.4418 -3.4418 -3.4303 -3.4303 -3.4173 -3.4173 -3.1645 -3.1645 -3.1409 -3.1409 -3.0679 -3.0679 -2.7878 -2.7878 -2.4884 -2.4884 -2.4060 -2.4060 -2.3363 -2.3363 7.6255 7.6255 k = 0.1161 0.1301 0.9250 ( 10829 PWs) bands (ev): -44.3302 -44.3302 -44.2969 -44.2969 -17.9530 -17.9530 -17.8234 -17.8234 -17.6502 -17.6502 -17.5581 -17.5581 -3.9243 -3.9243 -3.9194 -3.9194 -3.4505 -3.4505 -3.4344 -3.4344 -3.4208 -3.4208 -3.1453 -3.1453 -3.1270 -3.1270 -3.0744 -3.0744 -2.7837 -2.7837 -2.4881 -2.4881 -2.4061 -2.4061 -2.3354 -2.3354 7.6286 7.6286 k = 0.1277 0.1431 0.9250 ( 10847 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -17.9576 -17.9576 -17.8174 -17.8174 -17.6511 -17.6511 -17.5597 -17.5597 -3.9413 -3.9413 -3.9075 -3.9075 -3.4649 -3.4649 -3.4388 -3.4388 -3.4183 -3.4183 -3.1309 -3.1309 -3.1138 -3.1138 -3.0762 -3.0762 -2.7790 -2.7790 -2.4874 -2.4874 -2.4063 -2.4063 -2.3345 -2.3345 7.6319 7.6319 k = 0.1393 0.1562 0.9250 ( 10841 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -17.9620 -17.9620 -17.8117 -17.8117 -17.6521 -17.6521 -17.5614 -17.5614 -3.9591 -3.9591 -3.8937 -3.8937 -3.4798 -3.4798 -3.4461 -3.4461 -3.4122 -3.4122 -3.1266 -3.1266 -3.1024 -3.1024 -3.0674 -3.0674 -2.7739 -2.7739 -2.4865 -2.4865 -2.4063 -2.4063 -2.3335 -2.3335 7.6356 7.6356 k = 0.1509 0.1692 0.9250 ( 10851 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -17.9663 -17.9663 -17.8063 -17.8063 -17.6531 -17.6531 -17.5629 -17.5629 -3.9767 -3.9767 -3.8788 -3.8788 -3.4947 -3.4947 -3.4547 -3.4547 -3.4050 -3.4050 -3.1324 -3.1324 -3.0913 -3.0913 -3.0495 -3.0495 -2.7681 -2.7681 -2.4851 -2.4851 -2.4062 -2.4062 -2.3325 -2.3325 7.6395 7.6395 k = 0.1625 0.1822 0.9250 ( 10844 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -17.9703 -17.9703 -17.8012 -17.8012 -17.6543 -17.6543 -17.5644 -17.5644 -3.9940 -3.9940 -3.8629 -3.8629 -3.5093 -3.5093 -3.4641 -3.4641 -3.3972 -3.3972 -3.1431 -3.1431 -3.0805 -3.0805 -3.0281 -3.0281 -2.7619 -2.7619 -2.4833 -2.4833 -2.4059 -2.4059 -2.3315 -2.3315 7.6437 7.6437 k = 0.1742 0.1952 0.9250 ( 10850 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -17.9741 -17.9741 -17.7965 -17.7965 -17.6554 -17.6554 -17.5658 -17.5658 -4.0107 -4.0107 -3.8462 -3.8462 -3.5238 -3.5238 -3.4740 -3.4740 -3.3891 -3.3891 -3.1561 -3.1561 -3.0701 -3.0701 -3.0056 -3.0056 -2.7552 -2.7552 -2.4811 -2.4811 -2.4054 -2.4054 -2.3304 -2.3304 7.6482 7.6482 k = 0.1858 0.2082 0.9250 ( 10846 PWs) bands (ev): -44.3302 -44.3302 -44.2971 -44.2971 -17.9776 -17.9776 -17.7923 -17.7923 -17.6566 -17.6566 -17.5669 -17.5669 -4.0269 -4.0269 -3.8286 -3.8286 -3.5379 -3.5379 -3.4843 -3.4843 -3.3809 -3.3809 -3.1703 -3.1703 -3.0603 -3.0603 -2.9829 -2.9829 -2.7480 -2.7480 -2.4785 -2.4785 -2.4047 -2.4047 -2.3291 -2.3291 7.6529 7.6529 k = 0.1974 0.2212 0.9250 ( 10846 PWs) bands (ev): -44.3303 -44.3303 -44.2971 -44.2971 -17.9810 -17.9810 -17.7887 -17.7887 -17.6579 -17.6579 -17.5678 -17.5678 -4.0424 -4.0424 -3.8102 -3.8102 -3.5518 -3.5518 -3.4949 -3.4949 -3.3727 -3.3727 -3.1855 -3.1855 -3.0509 -3.0509 -2.9606 -2.9606 -2.7405 -2.7405 -2.4755 -2.4755 -2.4036 -2.4036 -2.3277 -2.3277 7.6578 7.6578 k = 0.2090 0.2342 0.9250 ( 10845 PWs) bands (ev): -44.3303 -44.3303 -44.2971 -44.2971 -17.9841 -17.9841 -17.7856 -17.7856 -17.6592 -17.6592 -17.5683 -17.5683 -4.0571 -4.0571 -3.7914 -3.7914 -3.5653 -3.5653 -3.5056 -3.5056 -3.3647 -3.3647 -3.2015 -3.2015 -3.0420 -3.0420 -2.9388 -2.9388 -2.7328 -2.7328 -2.4722 -2.4722 -2.4022 -2.4022 -2.3259 -2.3259 7.6629 7.6629 k = 0.2206 0.2472 0.9250 ( 10847 PWs) bands (ev): -44.3303 -44.3303 -44.2971 -44.2971 -17.9869 -17.9869 -17.7833 -17.7833 -17.6605 -17.6605 -17.5685 -17.5685 -4.0710 -4.0710 -3.7721 -3.7721 -3.5786 -3.5786 -3.5162 -3.5162 -3.3569 -3.3569 -3.2180 -3.2180 -3.0334 -3.0334 -2.9178 -2.9178 -2.7248 -2.7248 -2.4686 -2.4686 -2.4003 -2.4003 -2.3237 -2.3237 7.6682 7.6682 k = 0.2322 0.2603 0.9250 ( 10847 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -17.9896 -17.9896 -17.7816 -17.7816 -17.6618 -17.6618 -17.5683 -17.5683 -4.0841 -4.0841 -3.7528 -3.7528 -3.5915 -3.5915 -3.5264 -3.5264 -3.3496 -3.3496 -3.2349 -3.2349 -3.0250 -3.0250 -2.8979 -2.8979 -2.7168 -2.7168 -2.4648 -2.4648 -2.3979 -2.3979 -2.3210 -2.3210 7.6736 7.6736 k = 0.2438 0.2733 0.9250 ( 10845 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9920 -17.9920 -17.7807 -17.7807 -17.6632 -17.6632 -17.5677 -17.5677 -4.0962 -4.0962 -3.7338 -3.7338 -3.6042 -3.6042 -3.5358 -3.5358 -3.3428 -3.3428 -3.2522 -3.2522 -3.0168 -3.0168 -2.8790 -2.8790 -2.7088 -2.7088 -2.4609 -2.4609 -2.3950 -2.3950 -2.3177 -2.3177 7.6790 7.6790 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9941 -17.9941 -17.7806 -17.7806 -17.6646 -17.6646 -17.5665 -17.5665 -4.1074 -4.1074 -3.7159 -3.7159 -3.6165 -3.6165 -3.5436 -3.5436 -3.3367 -3.3367 -3.2698 -3.2698 -3.0086 -3.0086 -2.8614 -2.8614 -2.7010 -2.7010 -2.4571 -2.4571 -2.3914 -2.3914 -2.3135 -2.3135 7.6845 7.6845 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9941 -17.9941 -17.7806 -17.7806 -17.6646 -17.6646 -17.5665 -17.5665 -4.1074 -4.1074 -3.7159 -3.7159 -3.6165 -3.6165 -3.5436 -3.5436 -3.3367 -3.3367 -3.2698 -3.2698 -3.0086 -3.0086 -2.8614 -2.8614 -2.7010 -2.7010 -2.4571 -2.4571 -2.3914 -2.3914 -2.3135 -2.3135 7.6845 7.6845 k = 0.2658 0.2979 0.9176 ( 10859 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9964 -17.9964 -17.7803 -17.7803 -17.6650 -17.6650 -17.5631 -17.5631 -4.1228 -4.1228 -3.7015 -3.7015 -3.6355 -3.6355 -3.5510 -3.5510 -3.3346 -3.3346 -3.2935 -3.2935 -3.0079 -3.0079 -2.8466 -2.8466 -2.6859 -2.6859 -2.4525 -2.4525 -2.3815 -2.3815 -2.3034 -2.3034 7.6896 7.6896 k = 0.2761 0.3095 0.9102 ( 10861 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9983 -17.9983 -17.7809 -17.7809 -17.6654 -17.6654 -17.5592 -17.5592 -4.1373 -4.1373 -3.6910 -3.6910 -3.6541 -3.6541 -3.5539 -3.5539 -3.3340 -3.3340 -3.3169 -3.3169 -3.0070 -3.0070 -2.8337 -2.8337 -2.6714 -2.6714 -2.4480 -2.4480 -2.3706 -2.3706 -2.2921 -2.2921 7.6938 7.6938 k = 0.2865 0.3210 0.9027 ( 10861 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9999 -17.9999 -17.7824 -17.7824 -17.6658 -17.6658 -17.5546 -17.5546 -4.1509 -4.1509 -3.6863 -3.6863 -3.6718 -3.6718 -3.5511 -3.5511 -3.3441 -3.3441 -3.3306 -3.3306 -3.0060 -3.0060 -2.8230 -2.8230 -2.6574 -2.6574 -2.4436 -2.4436 -2.3589 -2.3589 -2.2797 -2.2797 7.6970 7.6970 k = 0.2968 0.3326 0.8953 ( 10854 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0012 -18.0012 -17.7847 -17.7847 -17.6661 -17.6661 -17.5496 -17.5496 -4.1635 -4.1635 -3.6931 -3.6931 -3.6832 -3.6832 -3.5420 -3.5420 -3.3672 -3.3672 -3.3321 -3.3321 -3.0047 -3.0047 -2.8144 -2.8144 -2.6441 -2.6441 -2.4391 -2.4391 -2.3463 -2.3463 -2.2665 -2.2665 7.6993 7.6993 k = 0.3071 0.3442 0.8879 ( 10852 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0022 -18.0022 -17.7878 -17.7878 -17.6664 -17.6664 -17.5442 -17.5442 -4.1751 -4.1751 -3.7096 -3.7096 -3.6890 -3.6890 -3.5279 -3.5279 -3.3909 -3.3909 -3.3337 -3.3337 -3.0031 -3.0031 -2.8079 -2.8079 -2.6316 -2.6316 -2.4344 -2.4344 -2.3332 -2.3332 -2.2525 -2.2525 7.7007 7.7007 k = 0.3175 0.3558 0.8805 ( 10848 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0029 -18.0029 -17.7914 -17.7914 -17.6667 -17.6667 -17.5385 -17.5385 -4.1858 -4.1858 -3.7266 -3.7266 -3.6970 -3.6970 -3.5107 -3.5107 -3.4140 -3.4140 -3.3359 -3.3359 -3.0011 -3.0011 -2.8036 -2.8036 -2.6198 -2.6198 -2.4295 -2.4295 -2.3194 -2.3194 -2.2380 -2.2380 7.7010 7.7010 k = 0.3278 0.3674 0.8731 ( 10852 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0033 -18.0033 -17.7956 -17.7956 -17.6669 -17.6669 -17.5326 -17.5326 -4.1955 -4.1955 -3.7433 -3.7433 -3.7066 -3.7066 -3.4934 -3.4934 -3.4346 -3.4346 -3.3389 -3.3389 -2.9987 -2.9987 -2.8013 -2.8013 -2.6088 -2.6088 -2.4243 -2.4243 -2.3053 -2.3053 -2.2232 -2.2232 7.7004 7.7004 k = 0.3382 0.3790 0.8656 ( 10844 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0033 -18.0033 -17.8003 -17.8003 -17.6671 -17.6671 -17.5266 -17.5266 -4.2043 -4.2043 -3.7595 -3.7595 -3.7170 -3.7170 -3.4857 -3.4857 -3.4437 -3.4437 -3.3425 -3.3425 -2.9961 -2.9961 -2.8012 -2.8012 -2.5985 -2.5985 -2.4188 -2.4188 -2.2909 -2.2909 -2.2083 -2.2083 7.6989 7.6989 k = 0.3485 0.3906 0.8582 ( 10840 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0032 -18.0032 -17.8053 -17.8053 -17.6673 -17.6673 -17.5204 -17.5204 -4.2121 -4.2121 -3.7752 -3.7752 -3.7278 -3.7278 -3.4985 -3.4985 -3.4309 -3.4309 -3.3467 -3.3467 -2.9933 -2.9933 -2.8029 -2.8029 -2.5888 -2.5888 -2.4130 -2.4130 -2.2763 -2.2763 -2.1934 -2.1934 7.6964 7.6964 k = 0.3588 0.4022 0.8508 ( 10836 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0027 -18.0027 -17.8106 -17.8106 -17.6674 -17.6674 -17.5143 -17.5143 -4.2191 -4.2191 -3.7903 -3.7903 -3.7386 -3.7386 -3.5189 -3.5189 -3.4094 -3.4094 -3.3513 -3.3513 -2.9904 -2.9904 -2.8066 -2.8066 -2.5798 -2.5798 -2.4070 -2.4070 -2.2617 -2.2617 -2.1786 -2.1786 7.6930 7.6930 k = 0.3692 0.4138 0.8434 ( 10841 PWs) bands (ev): -44.3303 -44.3303 -44.2972 -44.2972 -18.0021 -18.0021 -17.8161 -17.8161 -17.6675 -17.6675 -17.5083 -17.5083 -4.2252 -4.2252 -3.8049 -3.8048 -3.7491 -3.7491 -3.5406 -3.5406 -3.3860 -3.3860 -3.3559 -3.3559 -2.9875 -2.9875 -2.8119 -2.8119 -2.5712 -2.5712 -2.4007 -2.4007 -2.2473 -2.2473 -2.1642 -2.1642 7.6888 7.6888 k = 0.3795 0.4254 0.8360 ( 10833 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -18.0012 -18.0012 -17.8218 -17.8218 -17.6676 -17.6676 -17.5024 -17.5024 -4.2305 -4.2305 -3.8188 -3.8188 -3.7594 -3.7594 -3.5622 -3.5622 -3.3667 -3.3667 -3.3559 -3.3559 -2.9846 -2.9846 -2.8189 -2.8189 -2.5632 -2.5632 -2.3942 -2.3942 -2.2331 -2.2331 -2.1501 -2.1501 7.6838 7.6838 k = 0.3899 0.4369 0.8285 ( 10839 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -18.0001 -18.0001 -17.8275 -17.8275 -17.6676 -17.6676 -17.4967 -17.4967 -4.2350 -4.2350 -3.8321 -3.8321 -3.7691 -3.7691 -3.5832 -3.5832 -3.3688 -3.3688 -3.3344 -3.3344 -2.9819 -2.9819 -2.8275 -2.8275 -2.5555 -2.5555 -2.3876 -2.3876 -2.2192 -2.2192 -2.1366 -2.1366 7.6780 7.6780 k = 0.4002 0.4485 0.8211 ( 10840 PWs) bands (ev): -44.3302 -44.3302 -44.2972 -44.2972 -17.9988 -17.9988 -17.8332 -17.8332 -17.6676 -17.6676 -17.4911 -17.4911 -4.2388 -4.2388 -3.8448 -3.8448 -3.7782 -3.7782 -3.6036 -3.6036 -3.3741 -3.3741 -3.3095 -3.3095 -2.9794 -2.9794 -2.8374 -2.8374 -2.5481 -2.5481 -2.3810 -2.3810 -2.2057 -2.2057 -2.1237 -2.1237 7.6716 7.6716 k = 0.7446-0.1720 0.6472 ( 10845 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -17.9941 -17.9941 -17.7806 -17.7806 -17.6646 -17.6646 -17.5665 -17.5665 -4.1074 -4.1074 -3.7159 -3.7159 -3.6165 -3.6165 -3.5436 -3.5436 -3.3367 -3.3367 -3.2698 -3.2698 -3.0086 -3.0086 -2.8614 -2.8614 -2.7010 -2.7010 -2.4571 -2.4571 -2.3914 -2.3914 -2.3135 -2.3135 7.6845 7.6845 k = 0.7406-0.1765 0.6309 ( 10845 PWs) bands (ev): -44.3305 -44.3305 -44.2973 -44.2973 -17.9936 -17.9936 -17.7831 -17.7831 -17.6668 -17.6668 -17.5701 -17.5701 -4.0965 -4.0965 -3.7112 -3.7112 -3.6023 -3.6023 -3.5388 -3.5388 -3.3293 -3.3293 -3.2579 -3.2579 -2.9918 -2.9918 -2.8566 -2.8566 -2.7164 -2.7164 -2.4589 -2.4589 -2.4031 -2.4031 -2.3236 -2.3236 7.6841 7.6841 k = 0.7366-0.1810 0.6147 ( 10849 PWs) bands (ev): -44.3306 -44.3306 -44.2974 -44.2974 -17.9935 -17.9935 -17.7859 -17.7859 -17.6692 -17.6692 -17.5738 -17.5738 -4.0845 -4.0845 -3.7067 -3.7067 -3.5878 -3.5878 -3.5334 -3.5334 -3.3220 -3.3220 -3.2444 -3.2444 -2.9750 -2.9750 -2.8514 -2.8514 -2.7314 -2.7314 -2.4605 -2.4605 -2.4146 -2.4146 -2.3336 -2.3336 7.6825 7.6825 k = 0.7326-0.1855 0.5984 ( 10849 PWs) bands (ev): -44.3307 -44.3307 -44.2976 -44.2976 -17.9937 -17.9937 -17.7889 -17.7889 -17.6718 -17.6718 -17.5774 -17.5774 -4.0714 -4.0714 -3.7024 -3.7024 -3.5730 -3.5730 -3.5277 -3.5277 -3.3148 -3.3148 -3.2294 -3.2294 -2.9583 -2.9583 -2.8456 -2.8456 -2.7459 -2.7459 -2.4619 -2.4619 -2.4258 -2.4258 -2.3432 -2.3432 7.6796 7.6796 k = 0.7286-0.1900 0.5822 ( 10852 PWs) bands (ev): -44.3308 -44.3308 -44.2977 -44.2977 -17.9943 -17.9943 -17.7921 -17.7921 -17.6745 -17.6745 -17.5811 -17.5811 -4.0574 -4.0574 -3.6983 -3.6983 -3.5580 -3.5580 -3.5215 -3.5215 -3.3080 -3.3080 -3.2129 -3.2129 -2.9417 -2.9417 -2.8393 -2.8393 -2.7599 -2.7599 -2.4633 -2.4633 -2.4367 -2.4367 -2.3526 -2.3526 7.6756 7.6756 k = 0.7245-0.1945 0.5659 ( 10855 PWs) bands (ev): -44.3310 -44.3310 -44.2978 -44.2978 -17.9952 -17.9952 -17.7956 -17.7956 -17.6773 -17.6773 -17.5849 -17.5849 -4.0425 -4.0425 -3.6943 -3.6943 -3.5428 -3.5428 -3.5151 -3.5151 -3.3014 -3.3014 -3.1949 -3.1949 -2.9253 -2.9253 -2.8324 -2.8324 -2.7733 -2.7733 -2.4649 -2.4649 -2.4470 -2.4470 -2.3614 -2.3614 7.6704 7.6704 k = 0.7205-0.1990 0.5496 ( 10850 PWs) bands (ev): -44.3311 -44.3311 -44.2980 -44.2980 -17.9963 -17.9963 -17.7993 -17.7993 -17.6802 -17.6802 -17.5886 -17.5886 -4.0268 -4.0268 -3.6904 -3.6904 -3.5274 -3.5274 -3.5085 -3.5085 -3.2953 -3.2953 -3.1756 -3.1756 -2.9091 -2.9091 -2.8249 -2.8249 -2.7859 -2.7859 -2.4677 -2.4677 -2.4559 -2.4559 -2.3696 -2.3696 7.6641 7.6641 k = 0.7165-0.2034 0.5334 ( 10848 PWs) bands (ev): -44.3312 -44.3312 -44.2981 -44.2981 -17.9978 -17.9978 -17.8032 -17.8032 -17.6832 -17.6832 -17.5923 -17.5923 -4.0107 -4.0107 -3.6863 -3.6863 -3.5120 -3.5120 -3.5017 -3.5017 -3.2898 -3.2898 -3.1550 -3.1550 -2.8931 -2.8931 -2.8169 -2.8169 -2.7974 -2.7974 -2.4735 -2.4735 -2.4617 -2.4617 -2.3769 -2.3769 7.6568 7.6568 k = 0.7125-0.2079 0.5171 ( 10856 PWs) bands (ev): -44.3314 -44.3314 -44.2983 -44.2983 -17.9995 -17.9995 -17.8073 -17.8073 -17.6863 -17.6863 -17.5960 -17.5960 -3.9943 -3.9943 -3.6818 -3.6818 -3.4980 -3.4980 -3.4936 -3.4936 -3.2848 -3.2848 -3.1332 -3.1332 -2.8773 -2.8773 -2.8122 -2.8122 -2.8041 -2.8041 -2.4819 -2.4819 -2.4649 -2.4649 -2.3832 -2.3832 7.6484 7.6484 k = 0.7085-0.2124 0.5009 ( 10861 PWs) bands (ev): -44.3316 -44.3316 -44.2984 -44.2984 -18.0015 -18.0015 -17.8116 -17.8116 -17.6895 -17.6895 -17.5997 -17.5997 -3.9779 -3.9779 -3.6767 -3.6767 -3.4899 -3.4899 -3.4797 -3.4797 -3.2806 -3.2806 -3.1104 -3.1104 -2.8619 -2.8619 -2.8196 -2.8196 -2.7967 -2.7967 -2.4908 -2.4908 -2.4677 -2.4677 -2.3882 -2.3882 7.6389 7.6389 k = 0.7045-0.2169 0.4846 ( 10844 PWs) bands (ev): -44.3317 -44.3317 -44.2986 -44.2986 -18.0037 -18.0037 -17.8160 -17.8160 -17.6927 -17.6927 -17.6033 -17.6033 -3.9619 -3.9619 -3.6706 -3.6706 -3.4835 -3.4835 -3.4644 -3.4644 -3.2771 -3.2771 -3.0867 -3.0867 -2.8474 -2.8474 -2.8274 -2.8274 -2.7868 -2.7868 -2.4996 -2.4996 -2.4708 -2.4708 -2.3916 -2.3916 7.6285 7.6285 k = 0.7005-0.2214 0.4683 ( 10838 PWs) bands (ev): -44.3319 -44.3319 -44.2988 -44.2988 -18.0062 -18.0062 -17.8206 -17.8206 -17.6960 -17.6960 -17.6068 -17.6068 -3.9467 -3.9467 -3.6631 -3.6631 -3.4776 -3.4776 -3.4492 -3.4492 -3.2744 -3.2744 -3.0621 -3.0621 -2.8399 -2.8399 -2.8273 -2.8273 -2.7760 -2.7760 -2.5080 -2.5080 -2.4744 -2.4744 -2.3935 -2.3935 7.6170 7.6170 k = 0.6965-0.2259 0.4521 ( 10842 PWs) bands (ev): -44.3321 -44.3321 -44.2989 -44.2989 -18.0089 -18.0089 -17.8254 -17.8254 -17.6994 -17.6994 -17.6103 -17.6103 -3.9327 -3.9327 -3.6539 -3.6539 -3.4721 -3.4721 -3.4343 -3.4343 -3.2727 -3.2727 -3.0369 -3.0369 -2.8441 -2.8441 -2.8146 -2.8146 -2.7648 -2.7648 -2.5158 -2.5158 -2.4784 -2.4784 -2.3938 -2.3938 7.6046 7.6046 k = 0.6925-0.2304 0.4358 ( 10836 PWs) bands (ev): -44.3323 -44.3323 -44.2991 -44.2991 -18.0117 -18.0117 -17.8302 -17.8302 -17.7028 -17.7028 -17.6138 -17.6138 -3.9202 -3.9202 -3.6427 -3.6427 -3.4671 -3.4671 -3.4199 -3.4199 -3.2719 -3.2719 -3.0112 -3.0112 -2.8487 -2.8487 -2.8005 -2.8005 -2.7533 -2.7533 -2.5231 -2.5231 -2.4828 -2.4828 -2.3925 -2.3925 7.5913 7.5913 k = 0.6885-0.2349 0.4196 ( 10838 PWs) bands (ev): -44.3325 -44.3325 -44.2993 -44.2993 -18.0148 -18.0148 -17.8352 -17.8352 -17.7062 -17.7062 -17.6171 -17.6171 -3.9096 -3.9096 -3.6291 -3.6291 -3.4625 -3.4625 -3.4060 -3.4060 -3.2720 -3.2720 -2.9851 -2.9851 -2.8520 -2.8520 -2.7864 -2.7864 -2.7417 -2.7417 -2.5297 -2.5297 -2.4872 -2.4872 -2.3898 -2.3898 7.5770 7.5770 k = 0.6845-0.2393 0.4033 ( 10833 PWs) bands (ev): -44.3326 -44.3326 -44.2995 -44.2995 -18.0179 -18.0179 -17.8402 -17.8402 -17.7097 -17.7097 -17.6204 -17.6204 -3.9011 -3.9011 -3.6131 -3.6131 -3.4582 -3.4582 -3.3927 -3.3927 -3.2732 -3.2732 -2.9588 -2.9588 -2.8540 -2.8540 -2.7726 -2.7726 -2.7301 -2.7301 -2.5354 -2.5354 -2.4912 -2.4912 -2.3859 -2.3859 7.5619 7.5619 k = 0.6805-0.2438 0.3871 ( 10837 PWs) bands (ev): -44.3328 -44.3328 -44.2997 -44.2997 -18.0212 -18.0212 -17.8454 -17.8454 -17.7131 -17.7131 -17.6235 -17.6235 -3.8948 -3.8948 -3.5947 -3.5947 -3.4543 -3.4543 -3.3802 -3.3802 -3.2754 -3.2754 -2.9324 -2.9324 -2.8545 -2.8545 -2.7593 -2.7593 -2.7190 -2.7190 -2.5403 -2.5403 -2.4946 -2.4946 -2.3809 -2.3809 7.5459 7.5459 k = 0.6765-0.2483 0.3708 ( 10827 PWs) bands (ev): -44.3330 -44.3330 -44.2998 -44.2998 -18.0246 -18.0246 -17.8505 -17.8505 -17.7166 -17.7166 -17.6266 -17.6266 -3.8905 -3.8905 -3.5743 -3.5743 -3.4506 -3.4506 -3.3685 -3.3685 -3.2785 -3.2785 -2.9063 -2.9063 -2.8536 -2.8536 -2.7464 -2.7464 -2.7085 -2.7085 -2.5442 -2.5442 -2.4970 -2.4970 -2.3747 -2.3747 7.5291 7.5291 k = 0.6725-0.2528 0.3545 ( 10826 PWs) bands (ev): -44.3332 -44.3332 -44.3000 -44.3000 -18.0281 -18.0281 -17.8557 -17.8557 -17.7200 -17.7200 -17.6296 -17.6296 -3.8880 -3.8880 -3.5523 -3.5523 -3.4468 -3.4468 -3.3577 -3.3577 -3.2825 -3.2825 -2.8805 -2.8805 -2.8513 -2.8513 -2.7341 -2.7341 -2.6988 -2.6988 -2.5470 -2.5470 -2.4981 -2.4981 -2.3676 -2.3676 7.5116 7.5116 k = 0.6685-0.2573 0.3383 ( 10835 PWs) bands (ev): -44.3334 -44.3334 -44.3002 -44.3002 -18.0317 -18.0317 -17.8609 -17.8609 -17.7234 -17.7234 -17.6324 -17.6324 -3.8871 -3.8871 -3.5296 -3.5296 -3.4423 -3.4423 -3.3478 -3.3478 -3.2874 -3.2874 -2.8557 -2.8557 -2.8474 -2.8474 -2.7226 -2.7226 -2.6902 -2.6902 -2.5485 -2.5485 -2.4976 -2.4976 -2.3594 -2.3594 7.4934 7.4934 k = 0.6645-0.2618 0.3220 ( 10835 PWs) bands (ev): -44.3336 -44.3336 -44.3004 -44.3004 -18.0353 -18.0353 -17.8661 -17.8661 -17.7267 -17.7267 -17.6351 -17.6351 -3.8877 -3.8877 -3.5077 -3.5077 -3.4360 -3.4360 -3.3388 -3.3388 -3.2930 -3.2930 -2.8435 -2.8435 -2.8310 -2.8310 -2.7117 -2.7117 -2.6828 -2.6828 -2.5487 -2.5487 -2.4955 -2.4955 -2.3502 -2.3502 7.4746 7.4746 k = 0.6605-0.2663 0.3058 ( 10833 PWs) bands (ev): -44.3338 -44.3338 -44.3006 -44.3006 -18.0389 -18.0389 -17.8713 -17.8713 -17.7300 -17.7300 -17.6377 -17.6377 -3.8893 -3.8893 -3.4891 -3.4891 -3.4257 -3.4257 -3.3308 -3.3308 -3.2992 -3.2992 -2.8377 -2.8377 -2.8085 -2.8085 -2.7018 -2.7018 -2.6762 -2.6762 -2.5475 -2.5475 -2.4916 -2.4916 -2.3402 -2.3402 7.4552 7.4552 k = 0.6565-0.2708 0.2895 ( 10839 PWs) bands (ev): -44.3340 -44.3340 -44.3008 -44.3008 -18.0425 -18.0425 -17.8764 -17.8764 -17.7332 -17.7332 -17.6401 -17.6401 -3.8918 -3.8918 -3.4764 -3.4764 -3.4090 -3.4090 -3.3238 -3.3238 -3.3060 -3.3060 -2.8314 -2.8314 -2.7879 -2.7879 -2.6927 -2.6927 -2.6701 -2.6701 -2.5447 -2.5447 -2.4860 -2.4860 -2.3292 -2.3292 7.4353 7.4353 k = 0.6525-0.2752 0.2732 ( 10839 PWs) bands (ev): -44.3342 -44.3342 -44.3010 -44.3010 -18.0461 -18.0461 -17.8815 -17.8815 -17.7364 -17.7364 -17.6424 -17.6424 -3.8951 -3.8951 -3.4694 -3.4694 -3.3864 -3.3864 -3.3182 -3.3182 -3.3126 -3.3126 -2.8246 -2.8246 -2.7701 -2.7701 -2.6846 -2.6846 -2.6638 -2.6638 -2.5405 -2.5405 -2.4789 -2.4789 -2.3174 -2.3174 7.4150 7.4150 k = 0.6485-0.2797 0.2570 ( 10839 PWs) bands (ev): -44.3344 -44.3344 -44.3011 -44.3011 -18.0496 -18.0496 -17.8865 -17.8865 -17.7395 -17.7395 -17.6446 -17.6446 -3.8988 -3.8988 -3.4661 -3.4661 -3.3605 -3.3605 -3.3211 -3.3211 -3.3114 -3.3114 -2.8174 -2.8174 -2.7557 -2.7557 -2.6774 -2.6774 -2.6564 -2.6564 -2.5347 -2.5347 -2.4705 -2.4705 -2.3049 -2.3049 7.3942 7.3942 k = 0.6445-0.2842 0.2407 ( 10835 PWs) bands (ev): -44.3345 -44.3345 -44.3013 -44.3013 -18.0531 -18.0531 -17.8914 -17.8914 -17.7424 -17.7424 -17.6466 -17.6466 -3.9030 -3.9030 -3.4648 -3.4648 -3.3376 -3.3376 -3.3239 -3.3239 -3.3068 -3.3068 -2.8102 -2.8102 -2.7453 -2.7453 -2.6711 -2.6711 -2.6473 -2.6473 -2.5276 -2.5276 -2.4610 -2.4610 -2.2919 -2.2919 7.3731 7.3731 k = 0.6405-0.2887 0.2245 ( 10831 PWs) bands (ev): -44.3347 -44.3347 -44.3015 -44.3015 -18.0565 -18.0565 -17.8961 -17.8961 -17.7453 -17.7453 -17.6485 -17.6485 -3.9075 -3.9075 -3.4646 -3.4646 -3.3398 -3.3398 -3.3057 -3.3057 -3.2982 -3.2982 -2.8030 -2.8030 -2.7386 -2.7386 -2.6654 -2.6654 -2.6364 -2.6364 -2.5193 -2.5193 -2.4507 -2.4507 -2.2783 -2.2783 7.3518 7.3518 k = 0.6365-0.2932 0.2082 ( 10836 PWs) bands (ev): -44.3349 -44.3349 -44.3016 -44.3016 -18.0598 -18.0598 -17.9008 -17.9008 -17.7481 -17.7481 -17.6502 -17.6502 -3.9122 -3.9122 -3.4651 -3.4651 -3.3476 -3.3476 -3.3008 -3.3008 -3.2714 -3.2714 -2.7961 -2.7961 -2.7351 -2.7351 -2.6601 -2.6601 -2.6245 -2.6245 -2.5101 -2.5101 -2.4396 -2.4396 -2.2645 -2.2645 7.3303 7.3303 k = 0.6325-0.2977 0.1919 ( 10830 PWs) bands (ev): -44.3350 -44.3350 -44.3018 -44.3018 -18.0629 -18.0629 -17.9053 -17.9053 -17.7507 -17.7507 -17.6517 -17.6517 -3.9169 -3.9169 -3.4662 -3.4662 -3.3560 -3.3560 -3.2980 -3.2980 -3.2429 -3.2429 -2.7897 -2.7897 -2.7339 -2.7339 -2.6549 -2.6549 -2.6124 -2.6124 -2.5003 -2.5003 -2.4278 -2.4278 -2.2506 -2.2506 7.3088 7.3088 k = 0.6284-0.3022 0.1757 ( 10825 PWs) bands (ev): -44.3352 -44.3352 -44.3019 -44.3019 -18.0660 -18.0660 -17.9096 -17.9096 -17.7532 -17.7532 -17.6531 -17.6531 -3.9217 -3.9217 -3.4677 -3.4677 -3.3645 -3.3645 -3.2959 -3.2959 -3.2147 -3.2147 -2.7837 -2.7837 -2.7341 -2.7341 -2.6497 -2.6497 -2.6007 -2.6007 -2.4901 -2.4901 -2.4156 -2.4156 -2.2368 -2.2368 7.2873 7.2873 k = 0.6244-0.3067 0.1594 ( 10821 PWs) bands (ev): -44.3353 -44.3353 -44.3020 -44.3020 -18.0689 -18.0689 -17.9138 -17.9138 -17.7555 -17.7555 -17.6543 -17.6543 -3.9264 -3.9264 -3.4694 -3.4694 -3.3730 -3.3730 -3.2943 -3.2943 -3.1875 -3.1875 -2.7783 -2.7783 -2.7350 -2.7350 -2.6444 -2.6444 -2.5898 -2.5898 -2.4797 -2.4797 -2.4031 -2.4031 -2.2233 -2.2233 7.2661 7.2661 k = 0.6204-0.3111 0.1432 ( 10817 PWs) bands (ev): -44.3354 -44.3354 -44.3022 -44.3022 -18.0716 -18.0716 -17.9177 -17.9177 -17.7577 -17.7577 -17.6553 -17.6553 -3.9311 -3.9311 -3.4714 -3.4714 -3.3814 -3.3814 -3.2930 -3.2930 -3.1614 -3.1614 -2.7736 -2.7736 -2.7363 -2.7363 -2.6388 -2.6388 -2.5800 -2.5800 -2.4693 -2.4693 -2.3905 -2.3905 -2.2103 -2.2103 7.2453 7.2453 k = 0.6164-0.3156 0.1269 ( 10819 PWs) bands (ev): -44.3356 -44.3356 -44.3023 -44.3023 -18.0742 -18.0742 -17.9215 -17.9215 -17.7598 -17.7598 -17.6561 -17.6561 -3.9356 -3.9356 -3.4736 -3.4736 -3.3897 -3.3897 -3.2922 -3.2922 -3.1369 -3.1369 -2.7695 -2.7695 -2.7375 -2.7375 -2.6330 -2.6330 -2.5713 -2.5713 -2.4592 -2.4592 -2.3779 -2.3779 -2.1979 -2.1979 7.2251 7.2251 k = 0.6124-0.3201 0.1107 ( 10829 PWs) bands (ev): -44.3357 -44.3357 -44.3024 -44.3024 -18.0765 -18.0765 -17.9251 -17.9251 -17.7617 -17.7617 -17.6568 -17.6568 -3.9399 -3.9399 -3.4759 -3.4759 -3.3979 -3.3979 -3.2916 -3.2916 -3.1141 -3.1141 -2.7660 -2.7660 -2.7385 -2.7385 -2.6270 -2.6270 -2.5637 -2.5637 -2.4495 -2.4495 -2.3656 -2.3656 -2.1863 -2.1863 7.2057 7.2057 k = 0.6084-0.3246 0.0944 ( 10838 PWs) bands (ev): -44.3358 -44.3358 -44.3025 -44.3025 -18.0787 -18.0787 -17.9284 -17.9284 -17.7634 -17.7634 -17.6573 -17.6573 -3.9439 -3.9439 -3.4783 -3.4783 -3.4059 -3.4059 -3.2913 -3.2913 -3.0934 -3.0934 -2.7631 -2.7631 -2.7389 -2.7389 -2.6208 -2.6208 -2.5571 -2.5571 -2.4404 -2.4404 -2.3537 -2.3537 -2.1757 -2.1757 7.1873 7.1873 k = 0.6044-0.3291 0.0781 ( 10832 PWs) bands (ev): -44.3359 -44.3359 -44.3026 -44.3026 -18.0807 -18.0807 -17.9315 -17.9315 -17.7649 -17.7649 -17.6575 -17.6575 -3.9477 -3.9477 -3.4809 -3.4809 -3.4137 -3.4137 -3.2912 -3.2912 -3.0749 -3.0749 -2.7607 -2.7607 -2.7387 -2.7387 -2.6144 -2.6144 -2.5512 -2.5512 -2.4320 -2.4320 -2.3425 -2.3425 -2.1661 -2.1661 7.1703 7.1703 k = 0.6004-0.3336 0.0619 ( 10830 PWs) bands (ev): -44.3359 -44.3359 -44.3027 -44.3027 -18.0824 -18.0824 -17.9344 -17.9344 -17.7663 -17.7663 -17.6576 -17.6576 -3.9512 -3.9512 -3.4836 -3.4836 -3.4213 -3.4213 -3.2913 -3.2913 -3.0589 -3.0589 -2.7585 -2.7585 -2.7380 -2.7380 -2.6079 -2.6079 -2.5460 -2.5460 -2.4243 -2.4243 -2.3322 -2.3322 -2.1577 -2.1577 7.1548 7.1548 k = 0.5964-0.3381 0.0456 ( 10823 PWs) bands (ev): -44.3360 -44.3360 -44.3027 -44.3027 -18.0839 -18.0839 -17.9370 -17.9370 -17.7674 -17.7674 -17.6575 -17.6575 -3.9544 -3.9544 -3.4864 -3.4864 -3.4286 -3.4286 -3.2915 -3.2915 -3.0456 -3.0456 -2.7566 -2.7566 -2.7368 -2.7368 -2.6013 -2.6013 -2.5412 -2.5412 -2.4177 -2.4177 -2.3229 -2.3229 -2.1506 -2.1506 7.1410 7.1411 k = 0.5924-0.3426 0.0294 ( 10829 PWs) bands (ev): -44.3361 -44.3361 -44.3028 -44.3028 -18.0852 -18.0852 -17.9394 -17.9394 -17.7684 -17.7684 -17.6572 -17.6572 -3.9572 -3.9572 -3.4893 -3.4893 -3.4357 -3.4357 -3.2917 -3.2917 -3.0350 -3.0350 -2.7547 -2.7547 -2.7354 -2.7354 -2.5946 -2.5946 -2.5366 -2.5366 -2.4120 -2.4120 -2.3147 -2.3147 -2.1448 -2.1448 7.1293 7.1293 k = 0.5884-0.3470 0.0131 ( 10824 PWs) bands (ev): -44.3361 -44.3361 -44.3028 -44.3028 -18.0862 -18.0862 -17.9415 -17.9415 -17.7692 -17.7692 -17.6567 -17.6567 -3.9597 -3.9597 -3.4923 -3.4923 -3.4425 -3.4425 -3.2921 -3.2921 -3.0270 -3.0270 -2.7530 -2.7530 -2.7338 -2.7338 -2.5879 -2.5879 -2.5320 -2.5320 -2.4074 -2.4074 -2.3077 -2.3077 -2.1405 -2.1405 7.1196 7.1196 k = 0.5844-0.3515-0.0032 ( 10824 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0870 -18.0870 -17.9433 -17.9433 -17.7698 -17.7698 -17.6560 -17.6560 -3.9618 -3.9618 -3.4955 -3.4955 -3.4491 -3.4491 -3.2925 -3.2925 -3.0216 -3.0216 -2.7514 -2.7514 -2.7324 -2.7324 -2.5813 -2.5813 -2.5272 -2.5272 -2.4040 -2.4040 -2.3021 -2.3021 -2.1375 -2.1375 7.1123 7.1123 k = 0.5804-0.3560-0.0194 ( 10815 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0875 -18.0875 -17.9449 -17.9449 -17.7702 -17.7702 -17.6551 -17.6551 -3.9636 -3.9636 -3.4988 -3.4988 -3.4554 -3.4554 -3.2929 -3.2929 -3.0185 -3.0185 -2.7500 -2.7500 -2.7312 -2.7312 -2.5747 -2.5747 -2.5219 -2.5219 -2.4018 -2.4018 -2.2979 -2.2979 -2.1361 -2.1361 7.1073 7.1073 k = 0.5764-0.3605-0.0357 ( 10825 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0878 -18.0878 -17.9462 -17.9462 -17.7704 -17.7704 -17.6540 -17.6540 -3.9649 -3.9649 -3.5024 -3.5024 -3.4614 -3.4614 -3.2934 -3.2934 -3.0176 -3.0176 -2.7490 -2.7490 -2.7306 -2.7306 -2.5681 -2.5681 -2.5161 -2.5161 -2.4008 -2.4008 -2.2951 -2.2951 -2.1361 -2.1361 7.1049 7.1049 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0878 -18.0878 -17.9472 -17.9472 -17.7704 -17.7704 -17.6527 -17.6527 -3.9659 -3.9659 -3.5062 -3.5062 -3.4673 -3.4673 -3.2938 -3.2938 -3.0186 -3.0186 -2.7484 -2.7484 -2.7308 -2.7308 -2.5616 -2.5616 -2.5096 -2.5096 -2.4011 -2.4011 -2.2938 -2.2938 -2.1377 -2.1377 7.1051 7.1051 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0878 -18.0878 -17.9472 -17.9472 -17.7704 -17.7704 -17.6527 -17.6527 -3.9659 -3.9659 -3.5062 -3.5062 -3.4673 -3.4673 -3.2938 -3.2938 -3.0186 -3.0186 -2.7484 -2.7484 -2.7308 -2.7308 -2.5616 -2.5616 -2.5096 -2.5096 -2.4011 -2.4011 -2.2938 -2.2938 -2.1377 -2.1377 7.1051 7.1051 k = 0.5620-0.3766-0.0445 ( 10827 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0898 -18.0898 -17.9392 -17.9392 -17.7713 -17.7713 -17.6584 -17.6584 -3.9619 -3.9619 -3.5076 -3.5076 -3.4377 -3.4377 -3.2848 -3.2848 -3.0068 -3.0068 -2.7575 -2.7575 -2.7363 -2.7363 -2.5853 -2.5853 -2.5319 -2.5319 -2.4000 -2.4000 -2.2937 -2.2937 -2.1360 -2.1360 7.1035 7.1035 k = 0.5517-0.3882-0.0371 ( 10831 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0916 -18.0916 -17.9321 -17.9321 -17.7720 -17.7720 -17.6635 -17.6635 -3.9581 -3.9581 -3.5103 -3.5103 -3.4098 -3.4098 -3.2787 -3.2787 -2.9931 -2.9931 -2.7649 -2.7649 -2.7404 -2.7404 -2.6078 -2.6078 -2.5532 -2.5532 -2.3991 -2.3991 -2.2936 -2.2936 -2.1345 -2.1345 7.1007 7.1007 k = 0.5414-0.3998-0.0297 ( 10840 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0930 -18.0930 -17.9259 -17.9259 -17.7726 -17.7726 -17.6680 -17.6680 -3.9548 -3.9548 -3.5136 -3.5136 -3.3838 -3.3838 -3.2757 -3.2757 -2.9789 -2.9789 -2.7700 -2.7700 -2.7436 -2.7436 -2.6285 -2.6285 -2.5729 -2.5729 -2.3983 -2.3983 -2.2935 -2.2935 -2.1333 -2.1333 7.0975 7.0975 k = 0.5310-0.4114-0.0223 ( 10852 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0942 -18.0942 -17.9209 -17.9209 -17.7731 -17.7731 -17.6717 -17.6717 -3.9520 -3.9520 -3.5169 -3.5169 -3.3601 -3.3601 -3.2763 -3.2763 -2.9654 -2.9654 -2.7728 -2.7728 -2.7460 -2.7460 -2.6466 -2.6466 -2.5899 -2.5899 -2.3977 -2.3977 -2.2934 -2.2934 -2.1323 -2.1323 7.0947 7.0947 k = 0.5207-0.4229-0.0148 ( 10858 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0950 -18.0950 -17.9172 -17.9172 -17.7734 -17.7734 -17.6745 -17.6745 -3.9499 -3.9499 -3.5197 -3.5197 -3.3392 -3.3392 -3.2804 -3.2804 -2.9542 -2.9542 -2.7737 -2.7737 -2.7477 -2.7477 -2.6612 -2.6612 -2.6033 -2.6033 -2.3972 -2.3972 -2.2934 -2.2934 -2.1316 -2.1316 7.0924 7.0925 k = 0.5103-0.4345-0.0074 ( 10860 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0955 -18.0955 -17.9150 -17.9150 -17.7736 -17.7736 -17.6762 -17.6762 -3.9486 -3.9486 -3.5215 -3.5215 -3.3220 -3.3220 -3.2874 -3.2874 -2.9467 -2.9467 -2.7735 -2.7735 -2.7488 -2.7488 -2.6708 -2.6708 -2.6119 -2.6119 -2.3970 -2.3970 -2.2933 -2.2933 -2.1312 -2.1312 7.0910 7.0910 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0957 -18.0957 -17.9142 -17.9142 -17.7737 -17.7737 -17.6768 -17.6768 -3.9481 -3.9481 -3.5221 -3.5221 -3.3132 -3.3132 -3.2926 -3.2926 -2.9441 -2.9441 -2.7733 -2.7733 -2.7491 -2.7491 -2.6742 -2.6742 -2.6148 -2.6148 -2.3969 -2.3969 -2.2933 -2.2933 -2.1311 -2.1311 7.0906 7.0906 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0957 -18.0957 -17.9142 -17.9142 -17.7737 -17.7737 -17.6768 -17.6768 -3.9481 -3.9481 -3.5221 -3.5221 -3.3132 -3.3132 -3.2926 -3.2926 -2.9441 -2.9441 -2.7733 -2.7733 -2.7491 -2.7491 -2.6742 -2.6742 -2.6148 -2.6148 -2.3969 -2.3969 -2.2933 -2.2933 -2.1311 -2.1311 7.0906 7.0906 k = 0.4872-0.4347 0.0000 ( 10866 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0961 -18.0961 -17.9142 -17.9142 -17.7734 -17.7734 -17.6766 -17.6766 -3.9492 -3.9492 -3.5280 -3.5280 -3.3097 -3.3097 -3.2939 -3.2939 -2.9424 -2.9424 -2.7722 -2.7722 -2.7488 -2.7488 -2.6764 -2.6764 -2.6103 -2.6103 -2.3969 -2.3969 -2.2932 -2.2932 -2.1313 -2.1313 7.0817 7.0817 k = 0.4744-0.4232 0.0000 ( 10862 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0972 -18.0972 -17.9141 -17.9141 -17.7727 -17.7727 -17.6761 -17.6761 -3.9524 -3.9524 -3.5442 -3.5442 -3.3028 -3.3028 -3.2953 -3.2953 -2.9374 -2.9374 -2.7689 -2.7689 -2.7479 -2.7479 -2.6811 -2.6811 -2.5986 -2.5986 -2.3971 -2.3971 -2.2928 -2.2928 -2.1319 -2.1319 7.0567 7.0567 k = 0.4615-0.4118 0.0000 ( 10866 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.0992 -18.0992 -17.9139 -17.9139 -17.7714 -17.7714 -17.6753 -17.6753 -3.9577 -3.9577 -3.5679 -3.5679 -3.3068 -3.3068 -3.2852 -3.2852 -2.9294 -2.9294 -2.7638 -2.7638 -2.7462 -2.7462 -2.6851 -2.6851 -2.5825 -2.5825 -2.3974 -2.3974 -2.2921 -2.2921 -2.1329 -2.1329 7.0191 7.0191 k = 0.4487-0.4004 0.0000 ( 10858 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1018 -18.1018 -17.9137 -17.9137 -17.7697 -17.7697 -17.6742 -17.6742 -3.9649 -3.9649 -3.5968 -3.5968 -3.3159 -3.3159 -3.2720 -3.2720 -2.9184 -2.9184 -2.7578 -2.7578 -2.7430 -2.7430 -2.6866 -2.6866 -2.5639 -2.5639 -2.3977 -2.3977 -2.2912 -2.2912 -2.1344 -2.1344 6.9724 6.9724 k = 0.4359-0.3889 0.0000 ( 10852 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1051 -18.1051 -17.9135 -17.9135 -17.7676 -17.7676 -17.6727 -17.6727 -3.9739 -3.9739 -3.6288 -3.6288 -3.3272 -3.3272 -3.2598 -3.2598 -2.9047 -2.9047 -2.7526 -2.7526 -2.7368 -2.7368 -2.6848 -2.6848 -2.5436 -2.5436 -2.3981 -2.3981 -2.2899 -2.2899 -2.1362 -2.1362 6.9195 6.9195 k = 0.4231-0.3775 0.0000 ( 10858 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1091 -18.1091 -17.9132 -17.9132 -17.7652 -17.7652 -17.6709 -17.6709 -3.9845 -3.9845 -3.6631 -3.6631 -3.3404 -3.3404 -3.2501 -3.2501 -2.8887 -2.8887 -2.7488 -2.7488 -2.7271 -2.7271 -2.6791 -2.6791 -2.5222 -2.5222 -2.3986 -2.3986 -2.2884 -2.2884 -2.1385 -2.1385 6.8621 6.8621 k = 0.4103-0.3661 0.0000 ( 10856 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1135 -18.1135 -17.9128 -17.9128 -17.7625 -17.7625 -17.6688 -17.6688 -3.9966 -3.9966 -3.6986 -3.6986 -3.3550 -3.3550 -3.2436 -3.2436 -2.8705 -2.8705 -2.7455 -2.7455 -2.7149 -2.7149 -2.6695 -2.6695 -2.5000 -2.5000 -2.3992 -2.3992 -2.2866 -2.2866 -2.1411 -2.1411 6.8017 6.8017 k = 0.3974-0.3546 0.0000 ( 10848 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1185 -18.1185 -17.9124 -17.9124 -17.7597 -17.7597 -17.6662 -17.6662 -4.0100 -4.0100 -3.7350 -3.7350 -3.3707 -3.3707 -3.2406 -3.2406 -2.8507 -2.8507 -2.7419 -2.7419 -2.7011 -2.7011 -2.6563 -2.6563 -2.4774 -2.4774 -2.3996 -2.3996 -2.2845 -2.2845 -2.1442 -2.1442 6.7390 6.7390 k = 0.3846-0.3432 0.0000 ( 10851 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1239 -18.1239 -17.9119 -17.9119 -17.7568 -17.7568 -17.6634 -17.6634 -4.0244 -4.0244 -3.7719 -3.7719 -3.3872 -3.3872 -3.2408 -3.2408 -2.8294 -2.8294 -2.7378 -2.7378 -2.6860 -2.6860 -2.6398 -2.6398 -2.4547 -2.4547 -2.3999 -2.3999 -2.2820 -2.2820 -2.1476 -2.1476 6.6749 6.6749 k = 0.3718-0.3317 0.0000 ( 10857 PWs) bands (ev): -44.3362 -44.3362 -44.3029 -44.3029 -18.1296 -18.1296 -17.9114 -17.9114 -17.7538 -17.7538 -17.6602 -17.6602 -4.0397 -4.0397 -3.8089 -3.8089 -3.4043 -3.4043 -3.2441 -3.2441 -2.8070 -2.8070 -2.7331 -2.7331 -2.6699 -2.6699 -2.6202 -2.6202 -2.4329 -2.4329 -2.3991 -2.3991 -2.2792 -2.2792 -2.1514 -2.1514 6.6097 6.6097 k = 0.3590-0.3203 0.0000 ( 10871 PWs) bands (ev): -44.3363 -44.3363 -44.3029 -44.3029 -18.1357 -18.1357 -17.9109 -17.9109 -17.7508 -17.7508 -17.6566 -17.6566 -4.0557 -4.0557 -3.8458 -3.8458 -3.4218 -3.4218 -3.2500 -3.2500 -2.7840 -2.7840 -2.7277 -2.7277 -2.6530 -2.6530 -2.5982 -2.5982 -2.4156 -2.4156 -2.3938 -2.3938 -2.2761 -2.2761 -2.1555 -2.1555 6.5439 6.5439 k = 0.3462-0.3089 0.0000 ( 10869 PWs) bands (ev): -44.3363 -44.3363 -44.3029 -44.3029 -18.1419 -18.1419 -17.9103 -17.9103 -17.7479 -17.7479 -17.6527 -17.6527 -4.0723 -4.0723 -3.8825 -3.8825 -3.4394 -3.4394 -3.2581 -3.2581 -2.7609 -2.7609 -2.7216 -2.7216 -2.6354 -2.6354 -2.5743 -2.5743 -2.4095 -2.4095 -2.3773 -2.3773 -2.2726 -2.2726 -2.1600 -2.1600 6.4778 6.4778 k = 0.3333-0.2974 0.0000 ( 10869 PWs) bands (ev): -44.3363 -44.3363 -44.3029 -44.3029 -18.1484 -18.1484 -17.9097 -17.9097 -17.7451 -17.7451 -17.6485 -17.6485 -4.0892 -4.0892 -3.9188 -3.9188 -3.4572 -3.4572 -3.2680 -3.2680 -2.7387 -2.7387 -2.7142 -2.7142 -2.6170 -2.6170 -2.5488 -2.5488 -2.4086 -2.4086 -2.3556 -2.3556 -2.2688 -2.2688 -2.1647 -2.1647 6.4118 6.4118 k = 0.3205-0.2860 0.0000 ( 10873 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1549 -18.1549 -17.9091 -17.9091 -17.7424 -17.7424 -17.6441 -17.6441 -4.1064 -4.1064 -3.9546 -3.9546 -3.4748 -3.4748 -3.2792 -3.2792 -2.7200 -2.7200 -2.7031 -2.7031 -2.5977 -2.5977 -2.5224 -2.5224 -2.4089 -2.4089 -2.3331 -2.3331 -2.2646 -2.2646 -2.1698 -2.1698 6.3459 6.3459 k = 0.3077-0.2745 0.0000 ( 10869 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1615 -18.1615 -17.9084 -17.9084 -17.7398 -17.7398 -17.6394 -17.6394 -4.1237 -4.1237 -3.9896 -3.9896 -3.4923 -3.4923 -3.2915 -3.2915 -2.7081 -2.7081 -2.6859 -2.6859 -2.5774 -2.5774 -2.4957 -2.4957 -2.4092 -2.4092 -2.3105 -2.3105 -2.2600 -2.2600 -2.1751 -2.1751 6.2806 6.2806 k = 0.2949-0.2631 0.0000 ( 10867 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1682 -18.1682 -17.9077 -17.9077 -17.7374 -17.7374 -17.6346 -17.6346 -4.1410 -4.1410 -4.0240 -4.0240 -3.5094 -3.5094 -3.3044 -3.3044 -2.6994 -2.6994 -2.6664 -2.6664 -2.5559 -2.5559 -2.4693 -2.4693 -2.4092 -2.4092 -2.2882 -2.2882 -2.2551 -2.2551 -2.1805 -2.1805 6.2160 6.2160 k = 0.2821-0.2517 0.0000 ( 10857 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1748 -18.1748 -17.9070 -17.9070 -17.7351 -17.7351 -17.6296 -17.6296 -4.1582 -4.1582 -4.0574 -4.0574 -3.5262 -3.5262 -3.3178 -3.3178 -2.6911 -2.6911 -2.6477 -2.6477 -2.5333 -2.5333 -2.4450 -2.4450 -2.4071 -2.4071 -2.2664 -2.2664 -2.2497 -2.2497 -2.1860 -2.1860 6.1524 6.1524 k = 0.2692-0.2402 0.0000 ( 10857 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1813 -18.1813 -17.9063 -17.9063 -17.7330 -17.7330 -17.6245 -17.6245 -4.1752 -4.1752 -4.0899 -4.0899 -3.5425 -3.5425 -3.3314 -3.3314 -2.6829 -2.6829 -2.6304 -2.6304 -2.5096 -2.5096 -2.4285 -2.4285 -2.3978 -2.3978 -2.2471 -2.2471 -2.2423 -2.2423 -2.1914 -2.1914 6.0899 6.0899 k = 0.2564-0.2288 0.0000 ( 10857 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1878 -18.1878 -17.9055 -17.9055 -17.7310 -17.7310 -17.6193 -17.6193 -4.1919 -4.1919 -4.1213 -4.1213 -3.5582 -3.5582 -3.3451 -3.3451 -2.6744 -2.6744 -2.6148 -2.6148 -2.4851 -2.4851 -2.4231 -2.4231 -2.3781 -2.3781 -2.2392 -2.2392 -2.2242 -2.2242 -2.1962 -2.1962 6.0288 6.0288 k = 0.2436-0.2173 0.0000 ( 10847 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1941 -18.1941 -17.9048 -17.9048 -17.7292 -17.7292 -17.6142 -17.6142 -4.2082 -4.2082 -4.1517 -4.1517 -3.5734 -3.5734 -3.3587 -3.3587 -2.6657 -2.6657 -2.6009 -2.6009 -2.4603 -2.4603 -2.4218 -2.4218 -2.3552 -2.3552 -2.2330 -2.2330 -2.2088 -2.2088 -2.1965 -2.1965 5.9692 5.9692 k = 0.2308-0.2059 0.0000 ( 10847 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.2002 -18.2002 -17.9041 -17.9041 -17.7275 -17.7275 -17.6091 -17.6091 -4.2241 -4.2241 -4.1808 -4.1808 -3.5880 -3.5880 -3.3720 -3.3720 -2.6568 -2.6568 -2.5885 -2.5885 -2.4375 -2.4375 -2.4195 -2.4195 -2.3329 -2.3329 -2.2267 -2.2267 -2.2081 -2.2081 -2.1817 -2.1817 5.9113 5.9113 k = 0.2179-0.1945 0.0000 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.2062 -18.2062 -17.9034 -17.9034 -17.7259 -17.7259 -17.6041 -17.6041 -4.2395 -4.2395 -4.2087 -4.2087 -3.6019 -3.6019 -3.3851 -3.3851 -2.6476 -2.6476 -2.5774 -2.5774 -2.4284 -2.4284 -2.4039 -2.4039 -2.3131 -2.3131 -2.2203 -2.2203 -2.2095 -2.2095 -2.1637 -2.1637 5.8554 5.8554 k = 0.2051-0.1830 0.0000 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2119 -18.2119 -17.9027 -17.9027 -17.7244 -17.7244 -17.5992 -17.5992 -4.2544 -4.2544 -4.2352 -4.2352 -3.6151 -3.6151 -3.3977 -3.3977 -2.6381 -2.6381 -2.5676 -2.5676 -2.4283 -2.4283 -2.3799 -2.3799 -2.2976 -2.2976 -2.2138 -2.2138 -2.2080 -2.2080 -2.1460 -2.1460 5.8015 5.8015 k = 0.1923-0.1716 0.0000 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2174 -18.2174 -17.9020 -17.9020 -17.7230 -17.7230 -17.5944 -17.5944 -4.2690 -4.2690 -4.2601 -4.2601 -3.6276 -3.6276 -3.4099 -3.4099 -2.6285 -2.6285 -2.5589 -2.5589 -2.4294 -2.4294 -2.3554 -2.3554 -2.2879 -2.2879 -2.2076 -2.2076 -2.2013 -2.2013 -2.1292 -2.1292 5.7500 5.7500 k = 0.1795-0.1601 0.0000 ( 10857 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2227 -18.2227 -17.9013 -17.9013 -17.7218 -17.7218 -17.5898 -17.5898 -4.2861 -4.2861 -4.2804 -4.2804 -3.6393 -3.6393 -3.4215 -3.4215 -2.6186 -2.6186 -2.5512 -2.5512 -2.4309 -2.4309 -2.3316 -2.3316 -2.2841 -2.2841 -2.2016 -2.2016 -2.1896 -2.1896 -2.1133 -2.1133 5.7008 5.7008 k = 0.1667-0.1487 0.0000 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2276 -18.2276 -17.9007 -17.9007 -17.7206 -17.7206 -17.5854 -17.5854 -4.3076 -4.3076 -4.2940 -4.2940 -3.6502 -3.6502 -3.4325 -3.4325 -2.6086 -2.6086 -2.5444 -2.5444 -2.4326 -2.4326 -2.3099 -2.3099 -2.2837 -2.2837 -2.1954 -2.1954 -2.1747 -2.1747 -2.0984 -2.0984 5.6542 5.6542 k = 0.1538-0.1373 0.0000 ( 10853 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2323 -18.2323 -17.9000 -17.9000 -17.7196 -17.7196 -17.5813 -17.5813 -4.3284 -4.3284 -4.3062 -4.3062 -3.6604 -3.6604 -3.4428 -3.4428 -2.5985 -2.5985 -2.5384 -2.5384 -2.4344 -2.4344 -2.2974 -2.2974 -2.2779 -2.2779 -2.1894 -2.1894 -2.1584 -2.1584 -2.0846 -2.0846 5.6104 5.6104 k = 0.1410-0.1258 0.0000 ( 10859 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2366 -18.2366 -17.8995 -17.8995 -17.7186 -17.7186 -17.5774 -17.5774 -4.3477 -4.3477 -4.3174 -4.3174 -3.6698 -3.6698 -3.4524 -3.4524 -2.5883 -2.5883 -2.5331 -2.5331 -2.4364 -2.4364 -2.2994 -2.2994 -2.2604 -2.2604 -2.1835 -2.1835 -2.1418 -2.1418 -2.0718 -2.0718 5.5695 5.5695 k = 0.1282-0.1144 0.0000 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2406 -18.2406 -17.8989 -17.8989 -17.7177 -17.7177 -17.5737 -17.5737 -4.3655 -4.3655 -4.3278 -4.3278 -3.6784 -3.6784 -3.4614 -3.4614 -2.5780 -2.5780 -2.5284 -2.5284 -2.4385 -2.4385 -2.3051 -2.3051 -2.2414 -2.2414 -2.1779 -2.1779 -2.1256 -2.1256 -2.0603 -2.0603 5.5317 5.5317 k = 0.1154-0.1030 0.0000 ( 10857 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2443 -18.2443 -17.8984 -17.8984 -17.7169 -17.7169 -17.5704 -17.5704 -4.3818 -4.3818 -4.3373 -4.3373 -3.6862 -3.6862 -3.4695 -3.4695 -2.5678 -2.5678 -2.5244 -2.5244 -2.4408 -2.4408 -2.3117 -2.3117 -2.2235 -2.2235 -2.1726 -2.1726 -2.1102 -2.1102 -2.0499 -2.0499 5.4970 5.4970 k = 0.1026-0.0915 0.0000 ( 10847 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2476 -18.2476 -17.8979 -17.8979 -17.7162 -17.7162 -17.5674 -17.5674 -4.3964 -4.3964 -4.3458 -4.3458 -3.6932 -3.6932 -3.4769 -3.4769 -2.5575 -2.5575 -2.5208 -2.5208 -2.4434 -2.4434 -2.3186 -2.3186 -2.2073 -2.2073 -2.1674 -2.1674 -2.0959 -2.0959 -2.0407 -2.0407 5.4656 5.4656 k = 0.0897-0.0801 0.0000 ( 10851 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2505 -18.2505 -17.8975 -17.8975 -17.7155 -17.7155 -17.5647 -17.5647 -4.4093 -4.4093 -4.3534 -4.3534 -3.6993 -3.6993 -3.4834 -3.4834 -2.5474 -2.5474 -2.5177 -2.5177 -2.4462 -2.4462 -2.3254 -2.3254 -2.1930 -2.1930 -2.1624 -2.1624 -2.0828 -2.0828 -2.0328 -2.0328 5.4376 5.4376 k = 0.0769-0.0686 0.0000 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2531 -18.2531 -17.8972 -17.8972 -17.7150 -17.7150 -17.5623 -17.5623 -4.4206 -4.4206 -4.3600 -4.3600 -3.7047 -3.7047 -3.4891 -3.4891 -2.5376 -2.5376 -2.5150 -2.5150 -2.4495 -2.4495 -2.3320 -2.3320 -2.1810 -2.1810 -2.1574 -2.1574 -2.0711 -2.0711 -2.0261 -2.0261 5.4131 5.4131 k = 0.0641-0.0572 0.0000 ( 10857 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2553 -18.2553 -17.8969 -17.8969 -17.7145 -17.7145 -17.5603 -17.5603 -4.4301 -4.4301 -4.3657 -4.3657 -3.7092 -3.7092 -3.4939 -3.4939 -2.5282 -2.5282 -2.5124 -2.5124 -2.4531 -2.4531 -2.3379 -2.3379 -2.1717 -2.1717 -2.1521 -2.1521 -2.0608 -2.0608 -2.0206 -2.0206 5.3922 5.3922 k = 0.0513-0.0458 0.0000 ( 10859 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2571 -18.2571 -17.8966 -17.8966 -17.7142 -17.7142 -17.5587 -17.5587 -4.4380 -4.4380 -4.3703 -4.3703 -3.7129 -3.7129 -3.4979 -3.4979 -2.5200 -2.5200 -2.5094 -2.5094 -2.4573 -2.4573 -2.3432 -2.3432 -2.1651 -2.1651 -2.1466 -2.1466 -2.0521 -2.0521 -2.0163 -2.0163 5.3750 5.3750 k = 0.0385-0.0343 0.0000 ( 10865 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2585 -18.2585 -17.8964 -17.8964 -17.7139 -17.7139 -17.5574 -17.5574 -4.4441 -4.4441 -4.3739 -4.3739 -3.7157 -3.7157 -3.5010 -3.5010 -2.5145 -2.5145 -2.5044 -2.5044 -2.4621 -2.4621 -2.3475 -2.3475 -2.1608 -2.1608 -2.1414 -2.1414 -2.0451 -2.0451 -2.0132 -2.0132 5.3616 5.3616 k = 0.0256-0.0229 0.0000 ( 10861 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2595 -18.2595 -17.8962 -17.8962 -17.7137 -17.7137 -17.5564 -17.5564 -4.4485 -4.4485 -4.3765 -4.3765 -3.7178 -3.7178 -3.5033 -3.5033 -2.5121 -2.5121 -2.4972 -2.4972 -2.4675 -2.4675 -2.3507 -2.3507 -2.1581 -2.1581 -2.1373 -2.1373 -2.0399 -2.0399 -2.0111 -2.0111 5.3520 5.3520 k = 0.0128-0.0114 0.0000 ( 10877 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2601 -18.2601 -17.8962 -17.8962 -17.7135 -17.7135 -17.5559 -17.5559 -4.4511 -4.4511 -4.3781 -4.3781 -3.7190 -3.7190 -3.5046 -3.5046 -2.5111 -2.5111 -2.4899 -2.4899 -2.4733 -2.4733 -2.3527 -2.3527 -2.1567 -2.1567 -2.1346 -2.1346 -2.0367 -2.0367 -2.0099 -2.0099 5.3462 5.3462 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2603 -18.2603 -17.8961 -17.8961 -17.7135 -17.7135 -17.5557 -17.5557 -4.4520 -4.4520 -4.3786 -4.3786 -3.7194 -3.7194 -3.5051 -3.5051 -2.5108 -2.5108 -2.4855 -2.4855 -2.4772 -2.4772 -2.3534 -2.3534 -2.1562 -2.1562 -2.1337 -2.1337 -2.0356 -2.0356 -2.0096 -2.0096 5.3442 5.3442 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2603 -18.2603 -17.8961 -17.8961 -17.7135 -17.7135 -17.5557 -17.5557 -4.4520 -4.4520 -4.3786 -4.3786 -3.7194 -3.7194 -3.5051 -3.5051 -2.5108 -2.5108 -2.4855 -2.4855 -2.4772 -2.4772 -2.3534 -2.3534 -2.1562 -2.1562 -2.1337 -2.1337 -2.0356 -2.0356 -2.0096 -2.0096 5.3442 5.3442 k = 0.0167 0.0019-0.0046 ( 10870 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2601 -18.2601 -17.8963 -17.8963 -17.7136 -17.7136 -17.5557 -17.5557 -4.4511 -4.4511 -4.3779 -4.3779 -3.7191 -3.7191 -3.5053 -3.5053 -2.5109 -2.5109 -2.4879 -2.4879 -2.4752 -2.4752 -2.3530 -2.3530 -2.1563 -2.1563 -2.1345 -2.1345 -2.0366 -2.0366 -2.0099 -2.0099 5.3462 5.3462 k = 0.0333 0.0038-0.0093 ( 10861 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2593 -18.2593 -17.8969 -17.8969 -17.7137 -17.7137 -17.5559 -17.5559 -4.4485 -4.4485 -4.3759 -4.3759 -3.7180 -3.7180 -3.5061 -3.5061 -2.5113 -2.5113 -2.4926 -2.4926 -2.4717 -2.4717 -2.3519 -2.3519 -2.1567 -2.1567 -2.1370 -2.1370 -2.0394 -2.0394 -2.0110 -2.0110 5.3522 5.3522 k = 0.0500 0.0057-0.0139 ( 10861 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2581 -18.2581 -17.8978 -17.8978 -17.7140 -17.7140 -17.5561 -17.5561 -4.4442 -4.4442 -4.3724 -4.3724 -3.7164 -3.7164 -3.5072 -3.5072 -2.5120 -2.5120 -2.4977 -2.4977 -2.4683 -2.4683 -2.3500 -2.3500 -2.1573 -2.1573 -2.1416 -2.1416 -2.0432 -2.0432 -2.0130 -2.0130 5.3622 5.3622 k = 0.0667 0.0076-0.0185 ( 10869 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2564 -18.2564 -17.8991 -17.8991 -17.7144 -17.7144 -17.5564 -17.5564 -4.4385 -4.4385 -4.3671 -4.3671 -3.7144 -3.7144 -3.5085 -3.5085 -2.5135 -2.5135 -2.5028 -2.5028 -2.4653 -2.4653 -2.3475 -2.3475 -2.1583 -2.1583 -2.1486 -2.1486 -2.0473 -2.0473 -2.0162 -2.0162 5.3760 5.3760 k = 0.0833 0.0095-0.0232 ( 10860 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2542 -18.2542 -17.9009 -17.9009 -17.7149 -17.7149 -17.5569 -17.5569 -4.4318 -4.4318 -4.3599 -4.3599 -3.7124 -3.7124 -3.5097 -3.5097 -2.5163 -2.5163 -2.5071 -2.5071 -2.4627 -2.4627 -2.3444 -2.3444 -2.1617 -2.1617 -2.1568 -2.1568 -2.0509 -2.0509 -2.0206 -2.0206 5.3938 5.3938 k = 0.1000 0.0114-0.0278 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2515 -18.2515 -17.9030 -17.9030 -17.7154 -17.7154 -17.5574 -17.5574 -4.4242 -4.4242 -4.3505 -4.3505 -3.7107 -3.7107 -3.5102 -3.5102 -2.5209 -2.5209 -2.5101 -2.5101 -2.4605 -2.4605 -2.3409 -2.3409 -2.1745 -2.1745 -2.1595 -2.1595 -2.0535 -2.0535 -2.0262 -2.0262 5.4153 5.4153 k = 0.1167 0.0133-0.0324 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2484 -18.2484 -17.9055 -17.9055 -17.7160 -17.7160 -17.5580 -17.5580 -4.4162 -4.4162 -4.3384 -4.3384 -3.7099 -3.7099 -3.5097 -3.5097 -2.5266 -2.5266 -2.5125 -2.5125 -2.4588 -2.4588 -2.3370 -2.3370 -2.1921 -2.1921 -2.1611 -2.1611 -2.0552 -2.0552 -2.0325 -2.0325 5.4406 5.4406 k = 0.1333 0.0152-0.0370 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2448 -18.2448 -17.9085 -17.9085 -17.7166 -17.7166 -17.5587 -17.5587 -4.4079 -4.4079 -4.3234 -4.3234 -3.7104 -3.7104 -3.5077 -3.5077 -2.5328 -2.5328 -2.5150 -2.5150 -2.4574 -2.4574 -2.3332 -2.3332 -2.2130 -2.2130 -2.1630 -2.1630 -2.0568 -2.0568 -2.0389 -2.0389 5.4695 5.4695 k = 0.1500 0.0171-0.0417 ( 10864 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2408 -18.2408 -17.9119 -17.9119 -17.7171 -17.7171 -17.5594 -17.5594 -4.3996 -4.3996 -4.3056 -4.3056 -3.7126 -3.7126 -3.5037 -3.5037 -2.5391 -2.5391 -2.5179 -2.5179 -2.4563 -2.4563 -2.3297 -2.3297 -2.2363 -2.2363 -2.1653 -2.1653 -2.0600 -2.0600 -2.0435 -2.0435 5.5020 5.5020 k = 0.1667 0.0190-0.0463 ( 10865 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2363 -18.2363 -17.9157 -17.9157 -17.7177 -17.7177 -17.5603 -17.5603 -4.3912 -4.3912 -4.2849 -4.2849 -3.7170 -3.7170 -3.4973 -3.4973 -2.5456 -2.5456 -2.5216 -2.5216 -2.4557 -2.4557 -2.3279 -2.3279 -2.2603 -2.2603 -2.1683 -2.1683 -2.0664 -2.0664 -2.0446 -2.0446 5.5379 5.5379 k = 0.1833 0.0209-0.0509 ( 10860 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2313 -18.2313 -17.9200 -17.9200 -17.7182 -17.7182 -17.5612 -17.5612 -4.3826 -4.3826 -4.2615 -4.2615 -3.7235 -3.7235 -3.4886 -3.4886 -2.5520 -2.5520 -2.5261 -2.5261 -2.4555 -2.4555 -2.3313 -2.3313 -2.2811 -2.2811 -2.1721 -2.1721 -2.0748 -2.0748 -2.0434 -2.0434 5.5771 5.5771 k = 0.2000 0.0229-0.0556 ( 10857 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2260 -18.2260 -17.9247 -17.9247 -17.7187 -17.7187 -17.5622 -17.5622 -4.3737 -4.3737 -4.2355 -4.2355 -3.7322 -3.7322 -3.4776 -3.4776 -2.5583 -2.5583 -2.5321 -2.5321 -2.4559 -2.4559 -2.3462 -2.3462 -2.2914 -2.2914 -2.1771 -2.1771 -2.0836 -2.0836 -2.0410 -2.0410 5.6196 5.6196 k = 0.2167 0.0248-0.0602 ( 10855 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2202 -18.2202 -17.9299 -17.9299 -17.7191 -17.7191 -17.5632 -17.5632 -4.3645 -4.3645 -4.2072 -4.2072 -3.7429 -3.7429 -3.4644 -3.4644 -2.5646 -2.5646 -2.5399 -2.5399 -2.4573 -2.4573 -2.3706 -2.3706 -2.2923 -2.2923 -2.1836 -2.1836 -2.0920 -2.0920 -2.0380 -2.0380 5.6651 5.6651 k = 0.2333 0.0267-0.0648 ( 10857 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2141 -18.2141 -17.9356 -17.9356 -17.7194 -17.7194 -17.5643 -17.5643 -4.3548 -4.3548 -4.1768 -4.1768 -3.7551 -3.7551 -3.4495 -3.4495 -2.5710 -2.5710 -2.5504 -2.5504 -2.4601 -2.4601 -2.3969 -2.3969 -2.2895 -2.2895 -2.1918 -2.1918 -2.0994 -2.0994 -2.0348 -2.0348 5.7136 5.7136 k = 0.2500 0.0286-0.0695 ( 10860 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2076 -18.2076 -17.9416 -17.9416 -17.7196 -17.7196 -17.5655 -17.5655 -4.3446 -4.3446 -4.1445 -4.1445 -3.7687 -3.7687 -3.4331 -3.4331 -2.5785 -2.5785 -2.5643 -2.5643 -2.4654 -2.4654 -2.4200 -2.4200 -2.2856 -2.2856 -2.2016 -2.2016 -2.1055 -2.1055 -2.0313 -2.0313 5.7649 5.7649 k = 0.2667 0.0305-0.0741 ( 10864 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.2007 -18.2007 -17.9481 -17.9481 -17.7197 -17.7197 -17.5666 -17.5666 -4.3338 -4.3338 -4.1106 -4.1106 -3.7830 -3.7830 -3.4158 -3.4158 -2.5928 -2.5928 -2.5772 -2.5772 -2.4741 -2.4741 -2.4363 -2.4363 -2.2812 -2.2812 -2.2128 -2.2128 -2.1102 -2.1102 -2.0279 -2.0279 5.8188 5.8188 k = 0.2833 0.0324-0.0787 ( 10856 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.1935 -18.1935 -17.9550 -17.9550 -17.7197 -17.7197 -17.5678 -17.5678 -4.3225 -4.3225 -4.0756 -4.0756 -3.7977 -3.7977 -3.3979 -3.3979 -2.6191 -2.6191 -2.5844 -2.5844 -2.4848 -2.4848 -2.4465 -2.4465 -2.2770 -2.2770 -2.2249 -2.2249 -2.1137 -2.1137 -2.0244 -2.0244 5.8753 5.8753 k = 0.3000 0.0343-0.0833 ( 10849 PWs) bands (ev): -44.3364 -44.3364 -44.3027 -44.3027 -18.1860 -18.1860 -17.9623 -17.9623 -17.7196 -17.7196 -17.5690 -17.5690 -4.3106 -4.3106 -4.0402 -4.0402 -3.8117 -3.8117 -3.3800 -3.3800 -2.6523 -2.6523 -2.5900 -2.5900 -2.4945 -2.4945 -2.4540 -2.4540 -2.2731 -2.2731 -2.2371 -2.2371 -2.1163 -2.1163 -2.0210 -2.0210 5.9342 5.9342 k = 0.3167 0.0362-0.0880 ( 10852 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.1782 -18.1782 -17.9699 -17.9699 -17.7195 -17.7195 -17.5702 -17.5702 -4.2981 -4.2981 -4.0060 -4.0060 -3.8236 -3.8236 -3.3627 -3.3627 -2.6894 -2.6894 -2.5949 -2.5949 -2.5025 -2.5025 -2.4610 -2.4610 -2.2704 -2.2704 -2.2482 -2.2482 -2.1180 -2.1180 -2.0178 -2.0178 5.9953 5.9953 k = 0.3333 0.0381-0.0926 ( 10852 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.1701 -18.1701 -17.9778 -17.9778 -17.7193 -17.7193 -17.5713 -17.5713 -4.2851 -4.2851 -3.9760 -3.9760 -3.8303 -3.8303 -3.3466 -3.3466 -2.7284 -2.7284 -2.5995 -2.5995 -2.5090 -2.5090 -2.4686 -2.4686 -2.2716 -2.2716 -2.2550 -2.2550 -2.1192 -2.1192 -2.0147 -2.0147 6.0585 6.0585 k = 0.3500 0.0400-0.0972 ( 10851 PWs) bands (ev): -44.3364 -44.3364 -44.3028 -44.3028 -18.1618 -18.1618 -17.9860 -17.9860 -17.7190 -17.7190 -17.5724 -17.5724 -4.2716 -4.2716 -3.9559 -3.9559 -3.8258 -3.8258 -3.3326 -3.3326 -2.7677 -2.7677 -2.6038 -2.6038 -2.5143 -2.5143 -2.4770 -2.4770 -2.2786 -2.2786 -2.2553 -2.2553 -2.1200 -2.1200 -2.0118 -2.0118 6.1235 6.1235 k = 0.3667 0.0419-0.1019 ( 10851 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1534 -18.1534 -17.9944 -17.9944 -17.7188 -17.7188 -17.5735 -17.5735 -4.2576 -4.2576 -3.9504 -3.9504 -3.8058 -3.8058 -3.3217 -3.3217 -2.8058 -2.8058 -2.6078 -2.6078 -2.5189 -2.5189 -2.4864 -2.4864 -2.2872 -2.2872 -2.2531 -2.2531 -2.1205 -2.1205 -2.0092 -2.0092 6.1902 6.1902 k = 0.3833 0.0438-0.1065 ( 10852 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1448 -18.1448 -18.0029 -18.0029 -17.7185 -17.7185 -17.5744 -17.5744 -4.2433 -4.2433 -3.9564 -3.9564 -3.7732 -3.7732 -3.3153 -3.3153 -2.8413 -2.8413 -2.6116 -2.6116 -2.5229 -2.5229 -2.4962 -2.4962 -2.2950 -2.2950 -2.2504 -2.2504 -2.1208 -2.1208 -2.0068 -2.0068 6.2584 6.2584 k = 0.4000 0.0457-0.1111 ( 10852 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1361 -18.1361 -18.0116 -18.0116 -17.7182 -17.7182 -17.5753 -17.5753 -4.2289 -4.2289 -3.9683 -3.9683 -3.7336 -3.7336 -3.3146 -3.3146 -2.8726 -2.8726 -2.6151 -2.6151 -2.5268 -2.5268 -2.5060 -2.5060 -2.3017 -2.3017 -2.2479 -2.2479 -2.1210 -2.1210 -2.0047 -2.0047 6.3277 6.3277 k = 0.4167 0.0476-0.1158 ( 10849 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1274 -18.1274 -18.0203 -18.0203 -17.7179 -17.7179 -17.5761 -17.5761 -4.2146 -4.2146 -3.9825 -3.9825 -3.6905 -3.6905 -3.3210 -3.3210 -2.8986 -2.8986 -2.6184 -2.6184 -2.5311 -2.5311 -2.5146 -2.5146 -2.3071 -2.3071 -2.2457 -2.2457 -2.1210 -2.1210 -2.0029 -2.0029 6.3978 6.3978 k = 0.4333 0.0495-0.1204 ( 10846 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1189 -18.1189 -18.0288 -18.0288 -17.7176 -17.7176 -17.5767 -17.5767 -4.2008 -4.2008 -3.9972 -3.9972 -3.6457 -3.6457 -3.3352 -3.3352 -2.9185 -2.9185 -2.6214 -2.6214 -2.5364 -2.5364 -2.5209 -2.5209 -2.3113 -2.3113 -2.2438 -2.2438 -2.1210 -2.1210 -2.0014 -2.0014 6.4679 6.4679 k = 0.4500 0.0514-0.1250 ( 10849 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1108 -18.1108 -18.0369 -18.0369 -17.7174 -17.7174 -17.5772 -17.5772 -4.1880 -4.1880 -4.0111 -4.0111 -3.6005 -3.6005 -3.3572 -3.3572 -2.9324 -2.9324 -2.6240 -2.6240 -2.5423 -2.5423 -2.5248 -2.5248 -2.3144 -2.3144 -2.2423 -2.2423 -2.1210 -2.1210 -2.0002 -2.0002 6.5368 6.5368 k = 0.4667 0.0533-0.1296 ( 10849 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.1037 -18.1037 -18.0441 -18.0441 -17.7172 -17.7172 -17.5776 -17.5776 -4.1772 -4.1772 -4.0228 -4.0228 -3.5560 -3.5560 -3.3858 -3.3858 -2.9410 -2.9410 -2.6261 -2.6261 -2.5475 -2.5475 -2.5269 -2.5269 -2.3165 -2.3165 -2.2412 -2.2412 -2.1210 -2.1210 -1.9994 -1.9994 6.6015 6.6015 k = 0.4833 0.0552-0.1343 ( 10854 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.0983 -18.0983 -18.0494 -18.0494 -17.7171 -17.7171 -17.5779 -17.5779 -4.1698 -4.1698 -4.0309 -4.0309 -3.5144 -3.5144 -3.4182 -3.4182 -2.9455 -2.9455 -2.6275 -2.6275 -2.5509 -2.5509 -2.5280 -2.5280 -2.3177 -2.3177 -2.2405 -2.2405 -2.1210 -2.1210 -1.9988 -1.9988 6.6545 6.6545 k = 0.5000 0.0571-0.1389 ( 10854 PWs) bands (ev): -44.3363 -44.3363 -44.3028 -44.3028 -18.0962 -18.0962 -18.0515 -18.0515 -17.7171 -17.7171 -17.5779 -17.5779 -4.1671 -4.1671 -4.0338 -4.0338 -3.4895 -3.4895 -3.4401 -3.4401 -2.9469 -2.9469 -2.6280 -2.6280 -2.5521 -2.5521 -2.5284 -2.5284 -2.3181 -2.3181 -2.2403 -2.2403 -2.1209 -2.1209 -1.9987 -1.9987 6.6775 6.6775 k = 0.5000 0.0571 0.7861 ( 10840 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -18.0099 -18.0099 -17.7855 -17.7855 -17.6418 -17.6418 -17.5361 -17.5361 -4.0446 -4.0446 -3.9107 -3.9107 -3.7539 -3.7539 -3.6731 -3.6731 -3.3603 -3.3603 -3.1639 -3.1639 -3.1340 -3.1340 -2.8507 -2.8507 -2.6555 -2.6555 -2.4933 -2.4933 -2.1973 -2.1973 -2.1790 -2.1790 7.7097 7.7097 k = 0.4906 0.0560 0.7713 ( 10838 PWs) bands (ev): -44.3300 -44.3300 -44.2969 -44.2969 -18.0102 -18.0102 -17.7856 -17.7856 -17.6419 -17.6419 -17.5361 -17.5361 -4.0442 -4.0442 -3.9107 -3.9107 -3.7543 -3.7543 -3.6725 -3.6725 -3.3595 -3.3595 -3.1644 -3.1644 -3.1342 -3.1342 -2.8508 -2.8508 -2.6544 -2.6544 -2.4929 -2.4929 -2.1972 -2.1972 -2.1788 -2.1788 7.7083 7.7083 k = 0.4811 0.0550 0.7564 ( 10843 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -18.0110 -18.0110 -17.7858 -17.7858 -17.6421 -17.6421 -17.5360 -17.5360 -4.0432 -4.0432 -3.9108 -3.9108 -3.7555 -3.7555 -3.6708 -3.6708 -3.3571 -3.3571 -3.1658 -3.1658 -3.1346 -3.1346 -2.8513 -2.8513 -2.6510 -2.6510 -2.4917 -2.4917 -2.1970 -2.1970 -2.1781 -2.1781 7.7039 7.7039 k = 0.4717 0.0539 0.7416 ( 10849 PWs) bands (ev): -44.3301 -44.3301 -44.2969 -44.2969 -18.0123 -18.0123 -17.7861 -17.7861 -17.6425 -17.6425 -17.5360 -17.5360 -4.0416 -4.0416 -3.9107 -3.9107 -3.7576 -3.7576 -3.6679 -3.6679 -3.3531 -3.3531 -3.1680 -3.1680 -3.1355 -3.1355 -2.8519 -2.8519 -2.6455 -2.6455 -2.4896 -2.4896 -2.1966 -2.1966 -2.1770 -2.1770 7.6965 7.6965 k = 0.4623 0.0528 0.7268 ( 10850 PWs) bands (ev): -44.3301 -44.3301 -44.2970 -44.2970 -18.0142 -18.0142 -17.7865 -17.7865 -17.6431 -17.6431 -17.5360 -17.5360 -4.0398 -4.0398 -3.9102 -3.9102 -3.7605 -3.7605 -3.6638 -3.6638 -3.3475 -3.3475 -3.1709 -3.1709 -3.1367 -3.1367 -2.8525 -2.8525 -2.6381 -2.6381 -2.4868 -2.4868 -2.1960 -2.1960 -2.1755 -2.1755 7.6860 7.6860 k = 0.4528 0.0517 0.7119 ( 10846 PWs) bands (ev): -44.3302 -44.3302 -44.2970 -44.2970 -18.0165 -18.0165 -17.7871 -17.7871 -17.6438 -17.6438 -17.5360 -17.5360 -4.0382 -4.0382 -3.9086 -3.9086 -3.7643 -3.7643 -3.6588 -3.6588 -3.3403 -3.3403 -3.1743 -3.1743 -3.1383 -3.1383 -2.8530 -2.8530 -2.6291 -2.6291 -2.4832 -2.4832 -2.1952 -2.1952 -2.1737 -2.1737 7.6723 7.6723 k = 0.4434 0.0507 0.6971 ( 10844 PWs) bands (ev): -44.3302 -44.3302 -44.2971 -44.2971 -18.0193 -18.0193 -17.7879 -17.7879 -17.6446 -17.6446 -17.5360 -17.5360 -4.0373 -4.0373 -3.9057 -3.9057 -3.7691 -3.7691 -3.6528 -3.6528 -3.3316 -3.3316 -3.1784 -3.1784 -3.1398 -3.1398 -2.8532 -2.8532 -2.6187 -2.6187 -2.4789 -2.4789 -2.1941 -2.1941 -2.1715 -2.1715 7.6550 7.6550 k = 0.4340 0.0496 0.6823 ( 10846 PWs) bands (ev): -44.3303 -44.3303 -44.2971 -44.2971 -18.0226 -18.0226 -17.7888 -17.7888 -17.6456 -17.6456 -17.5359 -17.5359 -4.0375 -4.0375 -3.9010 -3.9010 -3.7749 -3.7749 -3.6458 -3.6458 -3.3213 -3.3213 -3.1833 -3.1833 -3.1410 -3.1410 -2.8530 -2.8530 -2.6072 -2.6072 -2.4738 -2.4738 -2.1928 -2.1928 -2.1690 -2.1690 7.6341 7.6341 k = 0.4245 0.0485 0.6674 ( 10843 PWs) bands (ev): -44.3304 -44.3304 -44.2972 -44.2972 -18.0264 -18.0264 -17.7898 -17.7898 -17.6467 -17.6467 -17.5359 -17.5359 -4.0391 -4.0391 -3.8941 -3.8941 -3.7816 -3.7816 -3.6379 -3.6379 -3.3096 -3.3096 -3.1892 -3.1892 -3.1414 -3.1414 -2.8524 -2.8524 -2.5947 -2.5947 -2.4680 -2.4680 -2.1912 -2.1912 -2.1663 -2.1663 7.6093 7.6093 k = 0.4151 0.0474 0.6526 ( 10846 PWs) bands (ev): -44.3305 -44.3305 -44.2973 -44.2973 -18.0306 -18.0306 -17.7910 -17.7910 -17.6479 -17.6479 -17.5359 -17.5359 -4.0424 -4.0424 -3.8852 -3.8852 -3.7892 -3.7892 -3.6292 -3.6292 -3.2964 -3.2964 -3.1963 -3.1963 -3.1405 -3.1405 -2.8514 -2.8514 -2.5815 -2.5815 -2.4616 -2.4616 -2.1893 -2.1893 -2.1633 -2.1633 7.5805 7.5805 k = 0.4057 0.0463 0.6378 ( 10853 PWs) bands (ev): -44.3306 -44.3306 -44.2974 -44.2974 -18.0351 -18.0351 -17.7924 -17.7924 -17.6493 -17.6493 -17.5360 -17.5360 -4.0473 -4.0473 -3.8747 -3.8747 -3.7971 -3.7971 -3.6196 -3.6196 -3.2817 -3.2817 -3.2045 -3.2045 -3.1380 -3.1380 -2.8499 -2.8499 -2.5677 -2.5677 -2.4546 -2.4546 -2.1872 -2.1872 -2.1601 -2.1601 7.5475 7.5475 k = 0.3962 0.0453 0.6229 ( 10856 PWs) bands (ev): -44.3307 -44.3307 -44.2975 -44.2975 -18.0401 -18.0401 -17.7939 -17.7939 -17.6507 -17.6507 -17.5360 -17.5360 -4.0536 -4.0536 -3.8644 -3.8644 -3.8040 -3.8040 -3.6091 -3.6091 -3.2658 -3.2658 -3.2138 -3.2138 -3.1338 -3.1338 -2.8479 -2.8479 -2.5534 -2.5534 -2.4470 -2.4470 -2.1847 -2.1847 -2.1567 -2.1567 7.5103 7.5103 k = 0.3868 0.0442 0.6081 ( 10855 PWs) bands (ev): -44.3308 -44.3308 -44.2976 -44.2976 -18.0454 -18.0454 -17.7956 -17.7956 -17.6522 -17.6522 -17.5361 -17.5361 -4.0611 -4.0611 -3.8577 -3.8577 -3.8066 -3.8066 -3.5976 -3.5976 -3.2489 -3.2489 -3.2237 -3.2237 -3.1278 -3.1278 -2.8455 -2.8455 -2.5388 -2.5388 -2.4389 -2.4389 -2.1820 -2.1820 -2.1531 -2.1531 7.4690 7.4690 k = 0.3774 0.0431 0.5933 ( 10856 PWs) bands (ev): -44.3309 -44.3309 -44.2977 -44.2977 -18.0510 -18.0510 -17.7975 -17.7975 -17.6538 -17.6538 -17.5362 -17.5362 -4.0697 -4.0697 -3.8595 -3.8595 -3.8005 -3.8005 -3.5851 -3.5851 -3.2386 -3.2386 -3.2266 -3.2266 -3.1201 -3.1201 -2.8426 -2.8426 -2.5241 -2.5241 -2.4303 -2.4303 -2.1791 -2.1791 -2.1493 -2.1493 7.4235 7.4235 k = 0.3679 0.0420 0.5785 ( 10851 PWs) bands (ev): -44.3311 -44.3311 -44.2978 -44.2978 -18.0569 -18.0569 -17.7995 -17.7995 -17.6555 -17.6555 -17.5364 -17.5364 -4.0790 -4.0790 -3.8689 -3.8689 -3.7869 -3.7869 -3.5714 -3.5714 -3.2485 -3.2485 -3.2086 -3.2086 -3.1106 -3.1106 -2.8393 -2.8393 -2.5092 -2.5092 -2.4213 -2.4213 -2.1758 -2.1758 -2.1455 -2.1455 7.3741 7.3741 k = 0.3585 0.0410 0.5636 ( 10838 PWs) bands (ev): -44.3312 -44.3312 -44.2980 -44.2980 -18.0631 -18.0631 -17.8017 -17.8017 -17.6573 -17.6573 -17.5365 -17.5365 -4.0890 -4.0890 -3.8825 -3.8825 -3.7696 -3.7696 -3.5563 -3.5563 -3.2606 -3.2606 -3.1878 -3.1878 -3.0996 -3.0996 -2.8355 -2.8355 -2.4943 -2.4943 -2.4119 -2.4119 -2.1724 -2.1724 -2.1414 -2.1414 7.3210 7.3210 k = 0.3491 0.0399 0.5488 ( 10835 PWs) bands (ev): -44.3314 -44.3314 -44.2981 -44.2981 -18.0696 -18.0696 -17.8040 -17.8040 -17.6591 -17.6591 -17.5368 -17.5368 -4.0995 -4.0995 -3.8984 -3.8984 -3.7509 -3.7509 -3.5396 -3.5396 -3.2732 -3.2732 -3.1657 -3.1657 -3.0870 -3.0870 -2.8313 -2.8313 -2.4795 -2.4795 -2.4022 -2.4022 -2.1687 -2.1687 -2.1373 -2.1373 7.2644 7.2644 k = 0.3396 0.0388 0.5340 ( 10834 PWs) bands (ev): -44.3315 -44.3315 -44.2982 -44.2982 -18.0762 -18.0762 -17.8065 -17.8065 -17.6609 -17.6609 -17.5370 -17.5370 -4.1105 -4.1105 -3.9158 -3.9158 -3.7320 -3.7320 -3.5209 -3.5209 -3.2860 -3.2860 -3.1425 -3.1425 -3.0729 -3.0729 -2.8265 -2.8265 -2.4647 -2.4647 -2.3923 -2.3923 -2.1647 -2.1647 -2.1331 -2.1331 7.2047 7.2047 k = 0.3302 0.0377 0.5191 ( 10830 PWs) bands (ev): -44.3317 -44.3317 -44.2984 -44.2984 -18.0830 -18.0830 -17.8092 -17.8092 -17.6628 -17.6628 -17.5373 -17.5373 -4.1217 -4.1217 -3.9343 -3.9343 -3.7137 -3.7137 -3.5002 -3.5002 -3.2990 -3.2990 -3.1185 -3.1185 -3.0573 -3.0573 -2.8212 -2.8212 -2.4502 -2.4502 -2.3820 -2.3820 -2.1606 -2.1606 -2.1288 -2.1288 7.1422 7.1422 k = 0.3208 0.0366 0.5043 ( 10832 PWs) bands (ev): -44.3319 -44.3319 -44.2985 -44.2985 -18.0900 -18.0900 -17.8120 -17.8120 -17.6648 -17.6648 -17.5377 -17.5377 -4.1331 -4.1331 -3.9537 -3.9537 -3.6965 -3.6965 -3.4771 -3.4771 -3.3119 -3.3119 -3.0936 -3.0936 -3.0405 -3.0405 -2.8152 -2.8152 -2.4360 -2.4360 -2.3716 -2.3716 -2.1563 -2.1563 -2.1245 -2.1245 7.0773 7.0773 k = 0.3113 0.0356 0.4895 ( 10838 PWs) bands (ev): -44.3320 -44.3320 -44.2987 -44.2987 -18.0971 -18.0971 -17.8149 -17.8149 -17.6667 -17.6667 -17.5381 -17.5381 -4.1446 -4.1446 -3.9738 -3.9738 -3.6809 -3.6809 -3.4515 -3.4515 -3.3246 -3.3246 -3.0680 -3.0680 -3.0224 -3.0224 -2.8087 -2.8087 -2.4221 -2.4221 -2.3609 -2.3609 -2.1518 -2.1518 -2.1200 -2.1200 7.0104 7.0104 k = 0.3019 0.0345 0.4746 ( 10840 PWs) bands (ev): -44.3322 -44.3322 -44.2989 -44.2989 -18.1044 -18.1044 -17.8179 -17.8179 -17.6687 -17.6687 -17.5385 -17.5385 -4.1562 -4.1562 -3.9944 -3.9944 -3.6672 -3.6672 -3.4234 -3.4234 -3.3370 -3.3370 -3.0420 -3.0420 -3.0030 -3.0030 -2.8014 -2.8014 -2.4085 -2.4085 -2.3501 -2.3501 -2.1473 -2.1473 -2.1156 -2.1156 6.9417 6.9417 k = 0.2925 0.0334 0.4598 ( 10846 PWs) bands (ev): -44.3324 -44.3324 -44.2990 -44.2990 -18.1116 -18.1116 -17.8211 -17.8211 -17.6707 -17.6707 -17.5390 -17.5390 -4.1678 -4.1678 -4.0155 -4.0155 -3.6555 -3.6555 -3.3933 -3.3933 -3.3488 -3.3488 -3.0157 -3.0157 -2.9823 -2.9823 -2.7935 -2.7935 -2.3954 -2.3954 -2.3391 -2.3391 -2.1426 -2.1426 -2.1110 -2.1110 6.8716 6.8716 k = 0.2830 0.0323 0.4450 ( 10843 PWs) bands (ev): -44.3326 -44.3326 -44.2992 -44.2992 -18.1190 -18.1190 -17.8243 -17.8243 -17.6728 -17.6728 -17.5395 -17.5395 -4.1794 -4.1794 -4.0368 -4.0368 -3.6458 -3.6458 -3.3672 -3.3672 -3.3540 -3.3540 -2.9894 -2.9894 -2.9603 -2.9603 -2.7848 -2.7848 -2.3827 -2.3827 -2.3281 -2.3281 -2.1378 -2.1378 -2.1065 -2.1065 6.8005 6.8005 k = 0.2736 0.0313 0.4301 ( 10837 PWs) bands (ev): -44.3328 -44.3328 -44.2994 -44.2994 -18.1263 -18.1263 -17.8276 -17.8276 -17.6748 -17.6748 -17.5400 -17.5400 -4.1909 -4.1909 -4.0583 -4.0583 -3.6380 -3.6380 -3.3739 -3.3739 -3.3239 -3.3239 -2.9634 -2.9634 -2.9368 -2.9368 -2.7754 -2.7754 -2.3705 -2.3705 -2.3169 -2.3169 -2.1329 -2.1329 -2.1019 -2.1019 6.7286 6.7286 k = 0.2642 0.0302 0.4153 ( 10834 PWs) bands (ev): -44.3330 -44.3330 -44.2995 -44.2995 -18.1337 -18.1337 -17.8309 -17.8309 -17.6768 -17.6768 -17.5406 -17.5406 -4.2023 -4.2023 -4.0798 -4.0798 -3.6321 -3.6321 -3.3843 -3.3843 -3.2879 -3.2879 -2.9380 -2.9380 -2.9118 -2.9118 -2.7652 -2.7652 -2.3588 -2.3588 -2.3057 -2.3057 -2.1280 -2.1280 -2.0973 -2.0973 6.6563 6.6563 k = 0.2547 0.0291 0.4005 ( 10839 PWs) bands (ev): -44.3332 -44.3332 -44.2997 -44.2997 -18.1410 -18.1410 -17.8343 -17.8343 -17.6789 -17.6789 -17.5413 -17.5413 -4.2136 -4.2136 -4.1013 -4.1013 -3.6280 -3.6280 -3.3944 -3.3944 -3.2503 -3.2503 -2.9132 -2.9132 -2.8855 -2.8855 -2.7542 -2.7542 -2.3476 -2.3476 -2.2945 -2.2945 -2.1231 -2.1231 -2.0927 -2.0927 6.5839 6.5839 k = 0.2453 0.0280 0.3856 ( 10838 PWs) bands (ev): -44.3333 -44.3333 -44.2999 -44.2999 -18.1483 -18.1483 -17.8378 -17.8378 -17.6809 -17.6809 -17.5419 -17.5419 -4.2246 -4.2246 -4.1227 -4.1227 -3.6255 -3.6255 -3.4040 -3.4040 -3.2116 -3.2116 -2.8889 -2.8889 -2.8583 -2.8583 -2.7425 -2.7425 -2.3368 -2.3368 -2.2834 -2.2834 -2.1182 -2.1182 -2.0882 -2.0882 6.5115 6.5115 k = 0.2358 0.0269 0.3708 ( 10839 PWs) bands (ev): -44.3335 -44.3335 -44.3000 -44.3000 -18.1555 -18.1555 -17.8413 -17.8413 -17.6829 -17.6829 -17.5426 -17.5426 -4.2355 -4.2355 -4.1439 -4.1439 -3.6246 -3.6246 -3.4129 -3.4129 -3.1720 -3.1720 -2.8649 -2.8649 -2.8306 -2.8306 -2.7299 -2.7299 -2.3264 -2.3264 -2.2724 -2.2724 -2.1133 -2.1133 -2.0836 -2.0836 6.4395 6.4395 k = 0.2264 0.0259 0.3560 ( 10834 PWs) bands (ev): -44.3337 -44.3337 -44.3002 -44.3002 -18.1626 -18.1626 -17.8447 -17.8447 -17.6849 -17.6849 -17.5433 -17.5433 -4.2461 -4.2461 -4.1648 -4.1648 -3.6250 -3.6250 -3.4212 -3.4212 -3.1319 -3.1319 -2.8411 -2.8411 -2.8027 -2.8027 -2.7166 -2.7166 -2.3165 -2.3165 -2.2616 -2.2616 -2.1084 -2.1084 -2.0790 -2.0790 6.3681 6.3681 k = 0.2170 0.0248 0.3411 ( 10831 PWs) bands (ev): -44.3339 -44.3339 -44.3004 -44.3004 -18.1696 -18.1696 -17.8482 -17.8482 -17.6869 -17.6869 -17.5440 -17.5440 -4.2564 -4.2564 -4.1853 -4.1853 -3.6267 -3.6266 -3.4288 -3.4288 -3.0915 -3.0915 -2.8174 -2.8174 -2.7750 -2.7750 -2.7025 -2.7025 -2.3069 -2.3069 -2.2510 -2.2510 -2.1036 -2.1036 -2.0745 -2.0745 6.2975 6.2975 k = 0.2075 0.0237 0.3263 ( 10832 PWs) bands (ev): -44.3341 -44.3341 -44.3005 -44.3005 -18.1765 -18.1765 -17.8516 -17.8516 -17.6888 -17.6888 -17.5447 -17.5447 -4.2665 -4.2665 -4.2054 -4.2054 -3.6294 -3.6294 -3.4358 -3.4358 -3.0509 -3.0509 -2.7940 -2.7940 -2.7479 -2.7479 -2.6874 -2.6874 -2.2976 -2.2976 -2.2407 -2.2407 -2.0989 -2.0989 -2.0700 -2.0700 6.2280 6.2280 k = 0.1981 0.0226 0.3115 ( 10832 PWs) bands (ev): -44.3343 -44.3343 -44.3007 -44.3007 -18.1832 -18.1832 -17.8550 -17.8550 -17.6907 -17.6907 -17.5455 -17.5455 -4.2764 -4.2764 -4.2249 -4.2249 -3.6330 -3.6330 -3.4423 -3.4423 -3.0105 -3.0105 -2.7709 -2.7709 -2.7216 -2.7216 -2.6713 -2.6713 -2.2886 -2.2886 -2.2307 -2.2307 -2.0943 -2.0943 -2.0655 -2.0655 6.1597 6.1597 k = 0.1887 0.0216 0.2966 ( 10835 PWs) bands (ev): -44.3345 -44.3345 -44.3009 -44.3009 -18.1897 -18.1897 -17.8583 -17.8583 -17.6926 -17.6926 -17.5462 -17.5462 -4.2859 -4.2859 -4.2438 -4.2438 -3.6374 -3.6374 -3.4483 -3.4483 -2.9705 -2.9705 -2.7481 -2.7481 -2.6968 -2.6968 -2.6538 -2.6538 -2.2798 -2.2798 -2.2211 -2.2211 -2.0898 -2.0898 -2.0611 -2.0611 6.0930 6.0930 k = 0.1792 0.0205 0.2818 ( 10835 PWs) bands (ev): -44.3346 -44.3346 -44.3010 -44.3010 -18.1960 -18.1960 -17.8616 -17.8616 -17.6944 -17.6944 -17.5469 -17.5469 -4.2953 -4.2953 -4.2620 -4.2620 -3.6424 -3.6424 -3.4539 -3.4539 -2.9310 -2.9310 -2.7258 -2.7258 -2.6739 -2.6739 -2.6347 -2.6347 -2.2712 -2.2712 -2.2120 -2.2120 -2.0854 -2.0854 -2.0568 -2.0568 6.0279 6.0279 k = 0.1698 0.0194 0.2670 ( 10835 PWs) bands (ev): -44.3348 -44.3348 -44.3012 -44.3012 -18.2022 -18.2022 -17.8647 -17.8647 -17.6962 -17.6962 -17.5477 -17.5477 -4.3046 -4.3046 -4.2791 -4.2791 -3.6479 -3.6479 -3.4591 -3.4591 -2.8924 -2.8924 -2.7041 -2.7041 -2.6531 -2.6531 -2.6140 -2.6140 -2.2628 -2.2628 -2.2033 -2.2033 -2.0811 -2.0811 -2.0526 -2.0526 5.9647 5.9647 k = 0.1604 0.0183 0.2521 ( 10838 PWs) bands (ev): -44.3350 -44.3350 -44.3013 -44.3013 -18.2080 -18.2080 -17.8678 -17.8678 -17.6979 -17.6979 -17.5484 -17.5484 -4.3141 -4.3141 -4.2950 -4.2950 -3.6536 -3.6536 -3.4639 -3.4639 -2.8547 -2.8547 -2.6831 -2.6831 -2.6341 -2.6341 -2.5921 -2.5921 -2.2546 -2.2546 -2.1951 -2.1951 -2.0769 -2.0769 -2.0485 -2.0485 5.9037 5.9037 k = 0.1509 0.0172 0.2373 ( 10838 PWs) bands (ev): -44.3351 -44.3351 -44.3015 -44.3015 -18.2137 -18.2137 -17.8708 -17.8708 -17.6995 -17.6995 -17.5491 -17.5491 -4.3246 -4.3246 -4.3087 -4.3087 -3.6595 -3.6595 -3.4684 -3.4684 -2.8182 -2.8182 -2.6628 -2.6628 -2.6165 -2.6165 -2.5698 -2.5698 -2.2464 -2.2464 -2.1874 -2.1874 -2.0729 -2.0729 -2.0445 -2.0445 5.8448 5.8448 k = 0.1415 0.0162 0.2225 ( 10831 PWs) bands (ev): -44.3353 -44.3353 -44.3016 -44.3016 -18.2190 -18.2190 -17.8736 -17.8736 -17.7011 -17.7011 -17.5498 -17.5498 -4.3366 -4.3366 -4.3197 -4.3197 -3.6655 -3.6655 -3.4726 -3.4726 -2.7832 -2.7832 -2.6434 -2.6434 -2.5998 -2.5998 -2.5475 -2.5475 -2.2384 -2.2384 -2.1802 -2.1802 -2.0689 -2.0689 -2.0406 -2.0406 5.7885 5.7885 k = 0.1321 0.0151 0.2076 ( 10836 PWs) bands (ev): -44.3354 -44.3354 -44.3017 -44.3017 -18.2241 -18.2241 -17.8764 -17.8764 -17.7026 -17.7026 -17.5505 -17.5505 -4.3496 -4.3496 -4.3284 -4.3284 -3.6715 -3.6715 -3.4766 -3.4766 -2.7497 -2.7497 -2.6250 -2.6250 -2.5839 -2.5839 -2.5257 -2.5257 -2.2304 -2.2304 -2.1736 -2.1736 -2.0652 -2.0652 -2.0370 -2.0370 5.7348 5.7348 k = 0.1226 0.0140 0.1928 ( 10836 PWs) bands (ev): -44.3356 -44.3356 -44.3018 -44.3018 -18.2289 -18.2289 -17.8789 -17.8789 -17.7040 -17.7040 -17.5512 -17.5512 -4.3627 -4.3627 -4.3358 -4.3358 -3.6773 -3.6773 -3.4803 -3.4803 -2.7180 -2.7180 -2.6076 -2.6076 -2.5688 -2.5688 -2.5047 -2.5047 -2.2226 -2.2226 -2.1675 -2.1675 -2.0616 -2.0616 -2.0334 -2.0334 5.6839 5.6839 k = 0.1132 0.0129 0.1780 ( 10844 PWs) bands (ev): -44.3357 -44.3357 -44.3020 -44.3020 -18.2334 -18.2334 -17.8814 -17.8814 -17.7054 -17.7054 -17.5518 -17.5518 -4.3752 -4.3752 -4.3424 -4.3424 -3.6830 -3.6830 -3.4838 -3.4838 -2.6882 -2.6882 -2.5913 -2.5913 -2.5545 -2.5545 -2.4846 -2.4846 -2.2148 -2.2148 -2.1620 -2.1620 -2.0581 -2.0581 -2.0301 -2.0301 5.6360 5.6360 k = 0.1038 0.0119 0.1632 ( 10847 PWs) bands (ev): -44.3358 -44.3358 -44.3021 -44.3021 -18.2376 -18.2376 -17.8836 -17.8836 -17.7066 -17.7066 -17.5524 -17.5524 -4.3871 -4.3871 -4.3482 -4.3482 -3.6883 -3.6883 -3.4871 -3.4871 -2.6605 -2.6605 -2.5761 -2.5761 -2.5411 -2.5411 -2.4655 -2.4655 -2.2072 -2.2072 -2.1570 -2.1570 -2.0549 -2.0549 -2.0270 -2.0270 5.5912 5.5912 k = 0.0943 0.0108 0.1483 ( 10846 PWs) bands (ev): -44.3359 -44.3359 -44.3022 -44.3022 -18.2415 -18.2415 -17.8857 -17.8857 -17.7078 -17.7078 -17.5529 -17.5529 -4.3980 -4.3980 -4.3536 -4.3536 -3.6934 -3.6934 -3.4901 -3.4901 -2.6350 -2.6350 -2.5619 -2.5619 -2.5287 -2.5287 -2.4476 -2.4476 -2.1998 -2.1998 -2.1526 -2.1526 -2.0518 -2.0518 -2.0241 -2.0241 5.5497 5.5497 k = 0.0849 0.0097 0.1335 ( 10851 PWs) bands (ev): -44.3360 -44.3360 -44.3023 -44.3023 -18.2450 -18.2450 -17.8877 -17.8877 -17.7088 -17.7088 -17.5534 -17.5534 -4.4081 -4.4081 -4.3583 -4.3583 -3.6981 -3.6981 -3.4928 -3.4928 -2.6117 -2.6117 -2.5489 -2.5489 -2.5176 -2.5176 -2.4309 -2.4309 -2.1927 -2.1927 -2.1487 -2.1487 -2.0490 -2.0490 -2.0214 -2.0214 5.5117 5.5117 k = 0.0755 0.0086 0.1187 ( 10849 PWs) bands (ev): -44.3361 -44.3361 -44.3023 -44.3023 -18.2482 -18.2482 -17.8894 -17.8894 -17.7098 -17.7098 -17.5539 -17.5539 -4.4172 -4.4172 -4.3626 -4.3626 -3.7024 -3.7024 -3.4953 -3.4953 -2.5908 -2.5908 -2.5369 -2.5369 -2.5077 -2.5077 -2.4155 -2.4155 -2.1860 -2.1860 -2.1453 -2.1453 -2.0463 -2.0463 -2.0189 -2.0189 5.4773 5.4773 k = 0.0660 0.0075 0.1038 ( 10854 PWs) bands (ev): -44.3362 -44.3362 -44.3024 -44.3024 -18.2510 -18.2510 -17.8910 -17.8910 -17.7107 -17.7107 -17.5543 -17.5543 -4.4252 -4.4252 -4.3663 -4.3663 -3.7063 -3.7063 -3.4976 -3.4976 -2.5723 -2.5723 -2.5260 -2.5260 -2.4993 -2.4993 -2.4016 -2.4016 -2.1797 -2.1797 -2.1424 -2.1424 -2.0439 -2.0439 -2.0168 -2.0168 5.4467 5.4467 k = 0.0566 0.0065 0.0890 ( 10856 PWs) bands (ev): -44.3363 -44.3363 -44.3025 -44.3025 -18.2534 -18.2534 -17.8923 -17.8923 -17.7114 -17.7114 -17.5547 -17.5547 -4.4323 -4.4323 -4.3696 -4.3696 -3.7097 -3.7097 -3.4995 -3.4995 -2.5562 -2.5562 -2.5163 -2.5163 -2.4922 -2.4922 -2.3893 -2.3893 -2.1739 -2.1739 -2.1400 -2.1400 -2.0418 -2.0418 -2.0149 -2.0149 5.4198 5.4198 k = 0.0472 0.0054 0.0742 ( 10855 PWs) bands (ev): -44.3363 -44.3363 -44.3025 -44.3025 -18.2555 -18.2555 -17.8935 -17.8935 -17.7120 -17.7120 -17.5550 -17.5550 -4.4383 -4.4383 -4.3723 -4.3723 -3.7127 -3.7127 -3.5012 -3.5012 -2.5424 -2.5424 -2.5077 -2.5077 -2.4867 -2.4867 -2.3786 -2.3786 -2.1688 -2.1688 -2.1380 -2.1380 -2.0400 -2.0400 -2.0133 -2.0133 5.3969 5.3969 k = 0.0377 0.0043 0.0593 ( 10854 PWs) bands (ev): -44.3364 -44.3364 -44.3026 -44.3026 -18.2573 -18.2573 -17.8944 -17.8944 -17.7126 -17.7126 -17.5552 -17.5552 -4.4432 -4.4432 -4.3746 -4.3746 -3.7151 -3.7151 -3.5026 -3.5026 -2.5312 -2.5312 -2.5004 -2.5004 -2.4825 -2.4825 -2.3696 -2.3696 -2.1644 -2.1644 -2.1364 -2.1364 -2.0384 -2.0384 -2.0119 -2.0119 5.3781 5.3781 k = 0.0283 0.0032 0.0445 ( 10859 PWs) bands (ev): -44.3364 -44.3364 -44.3026 -44.3026 -18.2586 -18.2586 -17.8952 -17.8952 -17.7130 -17.7130 -17.5554 -17.5554 -4.4470 -4.4470 -4.3763 -4.3763 -3.7170 -3.7170 -3.5037 -3.5037 -2.5223 -2.5223 -2.4943 -2.4943 -2.4797 -2.4797 -2.3626 -2.3626 -2.1609 -2.1609 -2.1352 -2.1352 -2.0372 -2.0372 -2.0109 -2.0109 5.3633 5.3633 k = 0.0189 0.0022 0.0297 ( 10862 PWs) bands (ev): -44.3364 -44.3364 -44.3026 -44.3026 -18.2596 -18.2596 -17.8957 -17.8957 -17.7133 -17.7133 -17.5556 -17.5556 -4.4498 -4.4498 -4.3776 -4.3776 -3.7183 -3.7183 -3.5044 -3.5044 -2.5160 -2.5160 -2.4896 -2.4896 -2.4780 -2.4780 -2.3575 -2.3575 -2.1583 -2.1583 -2.1344 -2.1344 -2.0363 -2.0363 -2.0102 -2.0102 5.3527 5.3527 k = 0.0094 0.0011 0.0148 ( 10872 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2601 -18.2601 -17.8960 -17.8960 -17.7134 -17.7134 -17.5557 -17.5557 -4.4514 -4.4514 -4.3783 -4.3783 -3.7192 -3.7192 -3.5049 -3.5049 -2.5121 -2.5121 -2.4866 -2.4866 -2.4774 -2.4774 -2.3544 -2.3544 -2.1567 -2.1567 -2.1339 -2.1339 -2.0358 -2.0358 -2.0097 -2.0097 5.3464 5.3464 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -44.3365 -44.3365 -44.3027 -44.3027 -18.2603 -18.2603 -17.8961 -17.8961 -17.7135 -17.7135 -17.5557 -17.5557 -4.4520 -4.4520 -4.3786 -4.3786 -3.7194 -3.7194 -3.5051 -3.5051 -2.5108 -2.5108 -2.4855 -2.4855 -2.4772 -2.4772 -2.3534 -2.3534 -2.1562 -2.1562 -2.1337 -2.1337 -2.0356 -2.0356 -2.0096 -2.0096 5.3442 5.3442 Writing output data file LiO2.save init_run : 0.13s CPU 0.25s WALL ( 1 calls) electrons : 214.14s CPU 216.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 214.13s CPU 216.40s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.08s CPU 0.10s WALL ( 355 calls) cegterg : 191.70s CPU 193.25s WALL ( 489 calls) Called by sum_band: Called by *egterg: h_psi : 149.47s CPU 150.56s WALL ( 8011 calls) s_psi : 2.43s CPU 2.65s WALL ( 8011 calls) g_psi : 0.42s CPU 0.44s WALL ( 7167 calls) cdiaghg : 34.81s CPU 35.35s WALL ( 7522 calls) cegterg:over : 7.98s CPU 7.93s WALL ( 7167 calls) cegterg:upda : 9.03s CPU 9.08s WALL ( 7167 calls) cegterg:last : 3.68s CPU 3.71s WALL ( 1199 calls) cdiaghg:chol : 2.01s CPU 2.11s WALL ( 7522 calls) cdiaghg:inve : 1.02s CPU 1.10s WALL ( 7522 calls) cdiaghg:para : 1.82s CPU 1.99s WALL ( 15044 calls) Called by h_psi: h_psi:vloc : 141.26s CPU 142.49s WALL ( 8011 calls) h_psi:vnl : 7.77s CPU 7.60s WALL ( 8011 calls) add_vuspsi : 3.27s CPU 3.06s WALL ( 8011 calls) General routines calbec : 4.46s CPU 4.52s WALL ( 8011 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 133.21s CPU 134.49s WALL ( 592208 calls) davcio : 0.26s CPU 0.38s WALL ( 710 calls) Parallel routines fft_scatter : 40.84s CPU 41.37s WALL ( 592223 calls) PWSCF : 3m57.35s CPU 4m15.81s WALL This run was terminated on: 20:45:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=