Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:57: 2 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: ./LiHO2.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 = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.459616 celldm(2)= 1.000000 celldm(3)= 0.576333 celldm(4)= 0.230977 celldm(5)= 0.230977 celldm(6)= -0.113515 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.113515 0.993536 0.000000 ) a(3) = ( 0.133120 0.149196 0.540537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.114254 -0.277809 ) b(2) = ( 0.000000 1.006506 -0.277809 ) b(3) = ( 0.000000 0.000000 1.850013 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0109644 0.0122884 -0.0057916), wk = 0.0028169 k( 3) = ( 0.0219288 0.0245769 -0.0115831), wk = 0.0028169 k( 4) = ( 0.0328932 0.0368653 -0.0173747), wk = 0.0028169 k( 5) = ( 0.0438575 0.0491538 -0.0231662), wk = 0.0028169 k( 6) = ( 0.0548219 0.0614422 -0.0289577), wk = 0.0028169 k( 7) = ( 0.0657863 0.0737306 -0.0347493), wk = 0.0028169 k( 8) = ( 0.0767507 0.0860191 -0.0405409), wk = 0.0028169 k( 9) = ( 0.0877151 0.0983075 -0.0463324), wk = 0.0028169 k( 10) = ( 0.0986795 0.1105960 -0.0521240), wk = 0.0028169 k( 11) = ( 0.1096438 0.1228844 -0.0579155), wk = 0.0028169 k( 12) = ( 0.1206082 0.1351728 -0.0637070), wk = 0.0028169 k( 13) = ( 0.1315726 0.1474613 -0.0694986), wk = 0.0028169 k( 14) = ( 0.1425370 0.1597497 -0.0752902), wk = 0.0028169 k( 15) = ( 0.1535014 0.1720382 -0.0810817), wk = 0.0028169 k( 16) = ( 0.1644657 0.1843266 -0.0868733), wk = 0.0028169 k( 17) = ( 0.1754301 0.1966150 -0.0926648), wk = 0.0028169 k( 18) = ( 0.1863945 0.2089035 -0.0984564), wk = 0.0028169 k( 19) = ( 0.1973589 0.2211919 -0.1042479), wk = 0.0028169 k( 20) = ( 0.2083233 0.2334804 -0.1100395), wk = 0.0028169 k( 21) = ( 0.2192877 0.2457688 -0.1158310), wk = 0.0028169 k( 22) = ( 0.2302520 0.2580572 -0.1216226), wk = 0.0028169 k( 23) = ( 0.2412164 0.2703457 -0.1274141), wk = 0.0028169 k( 24) = ( 0.2521808 0.2826341 -0.1332057), wk = 0.0028169 k( 25) = ( 0.2631452 0.2949226 -0.1389972), wk = 0.0028169 k( 26) = ( 0.2741096 0.3072110 -0.1447888), wk = 0.0028169 k( 27) = ( 0.2850740 0.3194994 -0.1505803), wk = 0.0028169 k( 28) = ( 0.2960383 0.3317879 -0.1563719), wk = 0.0028169 k( 29) = ( 0.3070027 0.3440763 -0.1621634), wk = 0.0028169 k( 30) = ( 0.3179671 0.3563648 -0.1679550), wk = 0.0028169 k( 31) = ( 0.3289315 0.3686532 -0.1737465), wk = 0.0028169 k( 32) = ( 0.3398959 0.3809416 -0.1795381), wk = 0.0028169 k( 33) = ( 0.3508603 0.3932301 -0.1853296), wk = 0.0028169 k( 34) = ( 0.3618246 0.4055185 -0.1911212), wk = 0.0028169 k( 35) = ( 0.3727890 0.4178070 -0.1969127), wk = 0.0028169 k( 36) = ( 0.3837534 0.4300954 -0.2027043), wk = 0.0028169 k( 37) = ( 0.3947178 0.4423838 -0.2084958), wk = 0.0028169 k( 38) = ( 0.4056822 0.4546723 -0.2142874), wk = 0.0028169 k( 39) = ( 0.4166466 0.4669607 -0.2200789), wk = 0.0028169 k( 40) = ( 0.4276109 0.4792492 -0.2258705), wk = 0.0028169 k( 41) = ( 0.4276109 0.4792492 -0.2258705), wk = 0.0028169 k( 42) = ( 0.4316151 0.4837369 -0.2096115), wk = 0.0028169 k( 43) = ( 0.4356193 0.4882246 -0.1933525), wk = 0.0028169 k( 44) = ( 0.4396234 0.4927123 -0.1770935), wk = 0.0028169 k( 45) = ( 0.4436276 0.4972000 -0.1608346), wk = 0.0028169 k( 46) = ( 0.4476317 0.5016877 -0.1445756), wk = 0.0028169 k( 47) = ( 0.4516359 0.5061754 -0.1283166), wk = 0.0028169 k( 48) = ( 0.4556401 0.5106631 -0.1120576), wk = 0.0028169 k( 49) = ( 0.4596442 0.5151508 -0.0957986), wk = 0.0028169 k( 50) = ( 0.4636484 0.5196385 -0.0795397), wk = 0.0028169 k( 51) = ( 0.4676525 0.5241262 -0.0632807), wk = 0.0028169 k( 52) = ( 0.4716567 0.5286139 -0.0470217), wk = 0.0028169 k( 53) = ( 0.4756609 0.5331016 -0.0307627), wk = 0.0028169 k( 54) = ( 0.4796650 0.5375893 -0.0145038), wk = 0.0028169 k( 55) = ( 0.4836692 0.5420770 0.0017552), wk = 0.0028169 k( 56) = ( 0.4876733 0.5465647 0.0180142), wk = 0.0028169 k( 57) = ( 0.4916775 0.5510524 0.0342732), wk = 0.0028169 k( 58) = ( 0.4956816 0.5555401 0.0505322), wk = 0.0028169 k( 59) = ( 0.4996858 0.5600278 0.0667911), wk = 0.0028169 k( 60) = ( 0.5036900 0.5645155 0.0830501), wk = 0.0028169 k( 61) = ( 0.5076941 0.5690032 0.0993091), wk = 0.0028169 k( 62) = ( 0.5116983 0.5734909 0.1155681), wk = 0.0028169 k( 63) = ( 0.5157025 0.5779786 0.1318271), wk = 0.0028169 k( 64) = ( 0.5197066 0.5824663 0.1480860), wk = 0.0028169 k( 65) = ( 0.5237108 0.5869540 0.1643450), wk = 0.0028169 k( 66) = ( 0.5277149 0.5914417 0.1806040), wk = 0.0028169 k( 67) = ( 0.5317191 0.5959294 0.1968630), wk = 0.0028169 k( 68) = ( 0.5357232 0.6004171 0.2131220), wk = 0.0028169 k( 69) = ( 0.5397274 0.6049048 0.2293809), wk = 0.0028169 k( 70) = ( 0.5437316 0.6093925 0.2456399), wk = 0.0028169 k( 71) = ( 0.5477357 0.6138802 0.2618989), wk = 0.0028169 k( 72) = ( 0.5517399 0.6183679 0.2781579), wk = 0.0028169 k( 73) = ( 0.5557440 0.6228556 0.2944169), wk = 0.0028169 k( 74) = ( 0.5597482 0.6273433 0.3106758), wk = 0.0028169 k( 75) = ( 0.5637524 0.6318310 0.3269348), wk = 0.0028169 k( 76) = ( 0.5677565 0.6363187 0.3431938), wk = 0.0028169 k( 77) = ( 0.5717607 0.6408064 0.3594528), wk = 0.0028169 k( 78) = ( 0.5757648 0.6452941 0.3757118), wk = 0.0028169 k( 79) = ( 0.5797690 0.6497818 0.3919707), wk = 0.0028169 k( 80) = ( 0.5837732 0.6542695 0.4082297), wk = 0.0028169 k( 81) = ( 0.5877773 0.6587572 0.4244887), wk = 0.0028169 k( 82) = ( 0.5917815 0.6632449 0.4407477), wk = 0.0028169 k( 83) = ( 0.5957856 0.6677326 0.4570066), wk = 0.0028169 k( 84) = ( 0.5997898 0.6722203 0.4732656), wk = 0.0028169 k( 85) = ( 0.5997898 0.6722203 0.4732656), wk = 0.0028169 k( 86) = ( 0.5926620 0.6642317 0.4856893), wk = 0.0028169 k( 87) = ( 0.5855341 0.6562431 0.4981130), wk = 0.0028169 k( 88) = ( 0.5784063 0.6482545 0.5105367), wk = 0.0028169 k( 89) = ( 0.5712784 0.6402659 0.5229604), wk = 0.0028169 k( 90) = ( 0.5641506 0.6322773 0.5353840), wk = 0.0028169 k( 91) = ( 0.5570227 0.6242887 0.5478077), wk = 0.0028169 k( 92) = ( 0.5498949 0.6163001 0.5602314), wk = 0.0028169 k( 93) = ( 0.5427671 0.6083115 0.5726551), wk = 0.0028169 k( 94) = ( 0.5356392 0.6003229 0.5850788), wk = 0.0028169 k( 95) = ( 0.5285114 0.5923343 0.5975024), wk = 0.0028169 k( 96) = ( 0.5213835 0.5843457 0.6099261), wk = 0.0028169 k( 97) = ( 0.5142557 0.5763571 0.6223498), wk = 0.0028169 k( 98) = ( 0.5071278 0.5683685 0.6347735), wk = 0.0028169 k( 99) = ( 0.5000000 0.5603799 0.6471972), wk = 0.0028169 k( 100) = ( 0.5000000 0.5603799 0.6471972), wk = 0.0028169 k( 101) = ( 0.5127965 0.5489622 0.6471972), wk = 0.0028169 k( 102) = ( 0.5255930 0.5375445 0.6471972), wk = 0.0028169 k( 103) = ( 0.5383895 0.5261268 0.6471972), wk = 0.0028169 k( 104) = ( 0.5511860 0.5147091 0.6471972), wk = 0.0028169 k( 105) = ( 0.5639825 0.5032914 0.6471972), wk = 0.0028169 k( 106) = ( 0.5767790 0.4918737 0.6471972), wk = 0.0028169 k( 107) = ( 0.5895755 0.4804560 0.6471972), wk = 0.0028169 k( 108) = ( 0.6023721 0.4690383 0.6471972), wk = 0.0028169 k( 109) = ( 0.6151686 0.4576206 0.6471972), wk = 0.0028169 k( 110) = ( 0.6279651 0.4462029 0.6471972), wk = 0.0028169 k( 111) = ( 0.6407616 0.4347851 0.6471972), wk = 0.0028169 k( 112) = ( 0.6535581 0.4233674 0.6471972), wk = 0.0028169 k( 113) = ( 0.6663546 0.4119497 0.6471972), wk = 0.0028169 k( 114) = ( 0.6791511 0.4005320 0.6471972), wk = 0.0028169 k( 115) = ( 0.3208489 -0.2862780 0.9250066), wk = 0.0028169 k( 116) = ( 0.3080150 -0.2748269 0.9250066), wk = 0.0028169 k( 117) = ( 0.2951810 -0.2633758 0.9250066), wk = 0.0028169 k( 118) = ( 0.2823470 -0.2519247 0.9250066), wk = 0.0028169 k( 119) = ( 0.2695131 -0.2404735 0.9250066), wk = 0.0028169 k( 120) = ( 0.2566791 -0.2290224 0.9250066), wk = 0.0028169 k( 121) = ( 0.2438452 -0.2175713 0.9250066), wk = 0.0028169 k( 122) = ( 0.2310112 -0.2061202 0.9250066), wk = 0.0028169 k( 123) = ( 0.2181772 -0.1946690 0.9250066), wk = 0.0028169 k( 124) = ( 0.2053433 -0.1832179 0.9250066), wk = 0.0028169 k( 125) = ( 0.1925093 -0.1717668 0.9250066), wk = 0.0028169 k( 126) = ( 0.1796754 -0.1603157 0.9250066), wk = 0.0028169 k( 127) = ( 0.1668414 -0.1488646 0.9250066), wk = 0.0028169 k( 128) = ( 0.1540075 -0.1374134 0.9250066), wk = 0.0028169 k( 129) = ( 0.1411735 -0.1259623 0.9250066), wk = 0.0028169 k( 130) = ( 0.1283396 -0.1145112 0.9250066), wk = 0.0028169 k( 131) = ( 0.1155056 -0.1030601 0.9250066), wk = 0.0028169 k( 132) = ( 0.1026717 -0.0916090 0.9250066), wk = 0.0028169 k( 133) = ( 0.0898377 -0.0801578 0.9250066), wk = 0.0028169 k( 134) = ( 0.0770037 -0.0687067 0.9250066), wk = 0.0028169 k( 135) = ( 0.0641698 -0.0572556 0.9250066), wk = 0.0028169 k( 136) = ( 0.0513358 -0.0458045 0.9250066), wk = 0.0028169 k( 137) = ( 0.0385019 -0.0343534 0.9250066), wk = 0.0028169 k( 138) = ( 0.0256679 -0.0229022 0.9250066), wk = 0.0028169 k( 139) = ( 0.0128340 -0.0114511 0.9250066), wk = 0.0028169 k( 140) = ( 0.0000000 0.0000000 0.9250066), wk = 0.0028169 k( 141) = ( 0.0000000 0.0000000 0.9250066), wk = 0.0028169 k( 142) = ( 0.0116106 0.0130126 0.9250066), wk = 0.0028169 k( 143) = ( 0.0232211 0.0260253 0.9250066), wk = 0.0028169 k( 144) = ( 0.0348316 0.0390379 0.9250066), wk = 0.0028169 k( 145) = ( 0.0464422 0.0520506 0.9250066), wk = 0.0028169 k( 146) = ( 0.0580528 0.0650632 0.9250066), wk = 0.0028169 k( 147) = ( 0.0696633 0.0780758 0.9250066), wk = 0.0028169 k( 148) = ( 0.0812738 0.0910885 0.9250066), wk = 0.0028169 k( 149) = ( 0.0928844 0.1041011 0.9250066), wk = 0.0028169 k( 150) = ( 0.1044949 0.1171137 0.9250066), wk = 0.0028169 k( 151) = ( 0.1161055 0.1301264 0.9250066), wk = 0.0028169 k( 152) = ( 0.1277160 0.1431390 0.9250066), wk = 0.0028169 k( 153) = ( 0.1393266 0.1561516 0.9250066), wk = 0.0028169 k( 154) = ( 0.1509371 0.1691643 0.9250066), wk = 0.0028169 k( 155) = ( 0.1625477 0.1821769 0.9250066), wk = 0.0028169 k( 156) = ( 0.1741582 0.1951896 0.9250066), wk = 0.0028169 k( 157) = ( 0.1857688 0.2082022 0.9250066), wk = 0.0028169 k( 158) = ( 0.1973793 0.2212148 0.9250066), wk = 0.0028169 k( 159) = ( 0.2089899 0.2342275 0.9250066), wk = 0.0028169 k( 160) = ( 0.2206004 0.2472401 0.9250066), wk = 0.0028169 k( 161) = ( 0.2322110 0.2602527 0.9250066), wk = 0.0028169 k( 162) = ( 0.2438215 0.2732654 0.9250066), wk = 0.0028169 k( 163) = ( 0.2554321 0.2862780 0.9250066), wk = 0.0028169 k( 164) = ( 0.2554321 0.2862780 0.9250066), wk = 0.0028169 k( 165) = ( 0.2657734 0.2978681 0.9175867), wk = 0.0028169 k( 166) = ( 0.2761147 0.3094582 0.9101669), wk = 0.0028169 k( 167) = ( 0.2864560 0.3210483 0.9027471), wk = 0.0028169 k( 168) = ( 0.2967973 0.3326384 0.8953272), wk = 0.0028169 k( 169) = ( 0.3071386 0.3442286 0.8879074), wk = 0.0028169 k( 170) = ( 0.3174799 0.3558187 0.8804875), wk = 0.0028169 k( 171) = ( 0.3278211 0.3674088 0.8730677), wk = 0.0028169 k( 172) = ( 0.3381624 0.3789989 0.8656478), wk = 0.0028169 k( 173) = ( 0.3485037 0.3905890 0.8582280), wk = 0.0028169 k( 174) = ( 0.3588450 0.4021791 0.8508081), wk = 0.0028169 k( 175) = ( 0.3691863 0.4137692 0.8433883), wk = 0.0028169 k( 176) = ( 0.3795276 0.4253593 0.8359684), wk = 0.0028169 k( 177) = ( 0.3898689 0.4369494 0.8285486), wk = 0.0028169 k( 178) = ( 0.4002102 0.4485395 0.8211287), wk = 0.0028169 k( 179) = ( 0.7445679 -0.1720240 0.6471972), wk = 0.0028169 k( 180) = ( 0.7405638 -0.1765117 0.6309382), wk = 0.0028169 k( 181) = ( 0.7365596 -0.1809994 0.6146792), wk = 0.0028169 k( 182) = ( 0.7325554 -0.1854871 0.5984202), wk = 0.0028169 k( 183) = ( 0.7285513 -0.1899748 0.5821613), wk = 0.0028169 k( 184) = ( 0.7245471 -0.1944625 0.5659023), wk = 0.0028169 k( 185) = ( 0.7205430 -0.1989502 0.5496433), wk = 0.0028169 k( 186) = ( 0.7165388 -0.2034379 0.5333843), wk = 0.0028169 k( 187) = ( 0.7125346 -0.2079256 0.5171253), wk = 0.0028169 k( 188) = ( 0.7085305 -0.2124133 0.5008664), wk = 0.0028169 k( 189) = ( 0.7045263 -0.2169010 0.4846074), wk = 0.0028169 k( 190) = ( 0.7005222 -0.2213887 0.4683484), wk = 0.0028169 k( 191) = ( 0.6965180 -0.2258764 0.4520894), wk = 0.0028169 k( 192) = ( 0.6925138 -0.2303641 0.4358305), wk = 0.0028169 k( 193) = ( 0.6885097 -0.2348518 0.4195715), wk = 0.0028169 k( 194) = ( 0.6845055 -0.2393395 0.4033125), wk = 0.0028169 k( 195) = ( 0.6805014 -0.2438272 0.3870535), wk = 0.0028169 k( 196) = ( 0.6764972 -0.2483149 0.3707945), wk = 0.0028169 k( 197) = ( 0.6724931 -0.2528026 0.3545356), wk = 0.0028169 k( 198) = ( 0.6684889 -0.2572903 0.3382766), wk = 0.0028169 k( 199) = ( 0.6644847 -0.2617780 0.3220176), wk = 0.0028169 k( 200) = ( 0.6604806 -0.2662657 0.3057586), wk = 0.0028169 k( 201) = ( 0.6564764 -0.2707534 0.2894996), wk = 0.0028169 k( 202) = ( 0.6524722 -0.2752411 0.2732407), wk = 0.0028169 k( 203) = ( 0.6484681 -0.2797288 0.2569817), wk = 0.0028169 k( 204) = ( 0.6444639 -0.2842165 0.2407227), wk = 0.0028169 k( 205) = ( 0.6404598 -0.2887042 0.2244637), wk = 0.0028169 k( 206) = ( 0.6364556 -0.2931919 0.2082047), wk = 0.0028169 k( 207) = ( 0.6324515 -0.2976796 0.1919458), wk = 0.0028169 k( 208) = ( 0.6284473 -0.3021673 0.1756868), wk = 0.0028169 k( 209) = ( 0.6244431 -0.3066550 0.1594278), wk = 0.0028169 k( 210) = ( 0.6204390 -0.3111427 0.1431688), wk = 0.0028169 k( 211) = ( 0.6164348 -0.3156304 0.1269098), wk = 0.0028169 k( 212) = ( 0.6124307 -0.3201181 0.1106509), wk = 0.0028169 k( 213) = ( 0.6084265 -0.3246058 0.0943919), wk = 0.0028169 k( 214) = ( 0.6044223 -0.3290935 0.0781329), wk = 0.0028169 k( 215) = ( 0.6004182 -0.3335812 0.0618739), wk = 0.0028169 k( 216) = ( 0.5964140 -0.3380689 0.0456149), wk = 0.0028169 k( 217) = ( 0.5924099 -0.3425566 0.0293560), wk = 0.0028169 k( 218) = ( 0.5884057 -0.3470444 0.0130970), wk = 0.0028169 k( 219) = ( 0.5844015 -0.3515321 -0.0031620), wk = 0.0028169 k( 220) = ( 0.5803974 -0.3560198 -0.0194210), wk = 0.0028169 k( 221) = ( 0.5763932 -0.3605075 -0.0356799), wk = 0.0028169 k( 222) = ( 0.5723891 -0.3649952 -0.0519389), wk = 0.0028169 k( 223) = ( 0.5723891 -0.3649952 -0.0519389), wk = 0.0028169 k( 224) = ( 0.5620478 -0.3765853 -0.0445191), wk = 0.0028169 k( 225) = ( 0.5517065 -0.3881754 -0.0370992), wk = 0.0028169 k( 226) = ( 0.5413652 -0.3997655 -0.0296794), wk = 0.0028169 k( 227) = ( 0.5310239 -0.4113556 -0.0222595), wk = 0.0028169 k( 228) = ( 0.5206826 -0.4229457 -0.0148397), wk = 0.0028169 k( 229) = ( 0.5103413 -0.4345358 -0.0074198), wk = 0.0028169 k( 230) = ( 0.5000000 -0.4461259 0.0000000), wk = 0.0028169 k( 231) = ( 0.5000000 -0.4461259 0.0000000), wk = 0.0028169 k( 232) = ( 0.4871795 -0.4346868 0.0000000), wk = 0.0028169 k( 233) = ( 0.4743590 -0.4232477 0.0000000), wk = 0.0028169 k( 234) = ( 0.4615385 -0.4118085 0.0000000), wk = 0.0028169 k( 235) = ( 0.4487179 -0.4003694 0.0000000), wk = 0.0028169 k( 236) = ( 0.4358974 -0.3889303 0.0000000), wk = 0.0028169 k( 237) = ( 0.4230769 -0.3774912 0.0000000), wk = 0.0028169 k( 238) = ( 0.4102564 -0.3660520 0.0000000), wk = 0.0028169 k( 239) = ( 0.3974359 -0.3546129 0.0000000), wk = 0.0028169 k( 240) = ( 0.3846154 -0.3431738 0.0000000), wk = 0.0028169 k( 241) = ( 0.3717949 -0.3317346 0.0000000), wk = 0.0028169 k( 242) = ( 0.3589744 -0.3202955 0.0000000), wk = 0.0028169 k( 243) = ( 0.3461538 -0.3088564 0.0000000), wk = 0.0028169 k( 244) = ( 0.3333333 -0.2974173 0.0000000), wk = 0.0028169 k( 245) = ( 0.3205128 -0.2859781 0.0000000), wk = 0.0028169 k( 246) = ( 0.3076923 -0.2745390 0.0000000), wk = 0.0028169 k( 247) = ( 0.2948718 -0.2630999 0.0000000), wk = 0.0028169 k( 248) = ( 0.2820513 -0.2516608 0.0000000), wk = 0.0028169 k( 249) = ( 0.2692308 -0.2402216 0.0000000), wk = 0.0028169 k( 250) = ( 0.2564103 -0.2287825 0.0000000), wk = 0.0028169 k( 251) = ( 0.2435897 -0.2173434 0.0000000), wk = 0.0028169 k( 252) = ( 0.2307692 -0.2059043 0.0000000), wk = 0.0028169 k( 253) = ( 0.2179487 -0.1944651 0.0000000), wk = 0.0028169 k( 254) = ( 0.2051282 -0.1830260 0.0000000), wk = 0.0028169 k( 255) = ( 0.1923077 -0.1715869 0.0000000), wk = 0.0028169 k( 256) = ( 0.1794872 -0.1601478 0.0000000), wk = 0.0028169 k( 257) = ( 0.1666667 -0.1487086 0.0000000), wk = 0.0028169 k( 258) = ( 0.1538461 -0.1372695 0.0000000), wk = 0.0028169 k( 259) = ( 0.1410256 -0.1258304 0.0000000), wk = 0.0028169 k( 260) = ( 0.1282051 -0.1143913 0.0000000), wk = 0.0028169 k( 261) = ( 0.1153846 -0.1029521 0.0000000), wk = 0.0028169 k( 262) = ( 0.1025641 -0.0915130 0.0000000), wk = 0.0028169 k( 263) = ( 0.0897436 -0.0800739 0.0000000), wk = 0.0028169 k( 264) = ( 0.0769231 -0.0686348 0.0000000), wk = 0.0028169 k( 265) = ( 0.0641026 -0.0571956 0.0000000), wk = 0.0028169 k( 266) = ( 0.0512821 -0.0457565 0.0000000), wk = 0.0028169 k( 267) = ( 0.0384615 -0.0343174 0.0000000), wk = 0.0028169 k( 268) = ( 0.0256410 -0.0228783 0.0000000), wk = 0.0028169 k( 269) = ( 0.0128205 -0.0114391 0.0000000), wk = 0.0028169 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 272) = ( 0.0166667 0.0019042 -0.0046302), wk = 0.0028169 k( 273) = ( 0.0333333 0.0038085 -0.0092603), wk = 0.0028169 k( 274) = ( 0.0500000 0.0057127 -0.0138905), wk = 0.0028169 k( 275) = ( 0.0666667 0.0076169 -0.0185206), wk = 0.0028169 k( 276) = ( 0.0833333 0.0095212 -0.0231508), wk = 0.0028169 k( 277) = ( 0.1000000 0.0114254 -0.0277809), wk = 0.0028169 k( 278) = ( 0.1166667 0.0133296 -0.0324111), wk = 0.0028169 k( 279) = ( 0.1333333 0.0152339 -0.0370413), wk = 0.0028169 k( 280) = ( 0.1500000 0.0171381 -0.0416714), wk = 0.0028169 k( 281) = ( 0.1666667 0.0190423 -0.0463016), wk = 0.0028169 k( 282) = ( 0.1833333 0.0209466 -0.0509317), wk = 0.0028169 k( 283) = ( 0.2000000 0.0228508 -0.0555619), wk = 0.0028169 k( 284) = ( 0.2166667 0.0247550 -0.0601920), wk = 0.0028169 k( 285) = ( 0.2333333 0.0266593 -0.0648222), wk = 0.0028169 k( 286) = ( 0.2500000 0.0285635 -0.0694524), wk = 0.0028169 k( 287) = ( 0.2666667 0.0304677 -0.0740825), wk = 0.0028169 k( 288) = ( 0.2833333 0.0323720 -0.0787127), wk = 0.0028169 k( 289) = ( 0.3000000 0.0342762 -0.0833428), wk = 0.0028169 k( 290) = ( 0.3166667 0.0361804 -0.0879730), wk = 0.0028169 k( 291) = ( 0.3333333 0.0380847 -0.0926031), wk = 0.0028169 k( 292) = ( 0.3500000 0.0399889 -0.0972333), wk = 0.0028169 k( 293) = ( 0.3666667 0.0418931 -0.1018635), wk = 0.0028169 k( 294) = ( 0.3833333 0.0437974 -0.1064936), wk = 0.0028169 k( 295) = ( 0.4000000 0.0457016 -0.1111238), wk = 0.0028169 k( 296) = ( 0.4166667 0.0476058 -0.1157539), wk = 0.0028169 k( 297) = ( 0.4333333 0.0495101 -0.1203841), wk = 0.0028169 k( 298) = ( 0.4500000 0.0514143 -0.1250142), wk = 0.0028169 k( 299) = ( 0.4666667 0.0533185 -0.1296444), wk = 0.0028169 k( 300) = ( 0.4833333 0.0552228 -0.1342745), wk = 0.0028169 k( 301) = ( 0.5000000 0.0571270 -0.1389047), wk = 0.0028169 k( 302) = ( 0.5000000 0.0571270 0.7861019), wk = 0.0028169 k( 303) = ( 0.4905660 0.0560491 0.7712698), wk = 0.0028169 k( 304) = ( 0.4811321 0.0549713 0.7564377), wk = 0.0028169 k( 305) = ( 0.4716981 0.0538934 0.7416055), wk = 0.0028169 k( 306) = ( 0.4622641 0.0528155 0.7267734), wk = 0.0028169 k( 307) = ( 0.4528302 0.0517377 0.7119413), wk = 0.0028169 k( 308) = ( 0.4433962 0.0506598 0.6971092), wk = 0.0028169 k( 309) = ( 0.4339623 0.0495819 0.6822771), wk = 0.0028169 k( 310) = ( 0.4245283 0.0485041 0.6674450), wk = 0.0028169 k( 311) = ( 0.4150943 0.0474262 0.6526129), wk = 0.0028169 k( 312) = ( 0.4056604 0.0463483 0.6377808), wk = 0.0028169 k( 313) = ( 0.3962264 0.0452705 0.6229487), wk = 0.0028169 k( 314) = ( 0.3867925 0.0441926 0.6081165), wk = 0.0028169 k( 315) = ( 0.3773585 0.0431147 0.5932844), wk = 0.0028169 k( 316) = ( 0.3679245 0.0420369 0.5784523), wk = 0.0028169 k( 317) = ( 0.3584906 0.0409590 0.5636202), wk = 0.0028169 k( 318) = ( 0.3490566 0.0398811 0.5487881), wk = 0.0028169 k( 319) = ( 0.3396226 0.0388032 0.5339560), wk = 0.0028169 k( 320) = ( 0.3301887 0.0377254 0.5191239), wk = 0.0028169 k( 321) = ( 0.3207547 0.0366475 0.5042918), wk = 0.0028169 k( 322) = ( 0.3113207 0.0355696 0.4894597), wk = 0.0028169 k( 323) = ( 0.3018868 0.0344918 0.4746275), wk = 0.0028169 k( 324) = ( 0.2924528 0.0334139 0.4597954), wk = 0.0028169 k( 325) = ( 0.2830189 0.0323360 0.4449633), wk = 0.0028169 k( 326) = ( 0.2735849 0.0312582 0.4301312), wk = 0.0028169 k( 327) = ( 0.2641509 0.0301803 0.4152991), wk = 0.0028169 k( 328) = ( 0.2547170 0.0291024 0.4004670), wk = 0.0028169 k( 329) = ( 0.2452830 0.0280246 0.3856349), wk = 0.0028169 k( 330) = ( 0.2358491 0.0269467 0.3708028), wk = 0.0028169 k( 331) = ( 0.2264151 0.0258688 0.3559707), wk = 0.0028169 k( 332) = ( 0.2169811 0.0247910 0.3411386), wk = 0.0028169 k( 333) = ( 0.2075472 0.0237131 0.3263064), wk = 0.0028169 k( 334) = ( 0.1981132 0.0226352 0.3114743), wk = 0.0028169 k( 335) = ( 0.1886792 0.0215574 0.2966422), wk = 0.0028169 k( 336) = ( 0.1792453 0.0204795 0.2818101), wk = 0.0028169 k( 337) = ( 0.1698113 0.0194016 0.2669780), wk = 0.0028169 k( 338) = ( 0.1603774 0.0183238 0.2521459), wk = 0.0028169 k( 339) = ( 0.1509434 0.0172459 0.2373138), wk = 0.0028169 k( 340) = ( 0.1415094 0.0161680 0.2224817), wk = 0.0028169 k( 341) = ( 0.1320755 0.0150902 0.2076496), wk = 0.0028169 k( 342) = ( 0.1226415 0.0140123 0.1928174), wk = 0.0028169 k( 343) = ( 0.1132076 0.0129344 0.1779853), wk = 0.0028169 k( 344) = ( 0.1037736 0.0118565 0.1631532), wk = 0.0028169 k( 345) = ( 0.0943396 0.0107787 0.1483211), wk = 0.0028169 k( 346) = ( 0.0849057 0.0097008 0.1334890), wk = 0.0028169 k( 347) = ( 0.0754717 0.0086229 0.1186569), wk = 0.0028169 k( 348) = ( 0.0660377 0.0075451 0.1038248), wk = 0.0028169 k( 349) = ( 0.0566038 0.0064672 0.0889927), wk = 0.0028169 k( 350) = ( 0.0471698 0.0053893 0.0741606), wk = 0.0028169 k( 351) = ( 0.0377359 0.0043115 0.0593284), wk = 0.0028169 k( 352) = ( 0.0283019 0.0032336 0.0444963), wk = 0.0028169 k( 353) = ( 0.0188679 0.0021557 0.0296642), wk = 0.0028169 k( 354) = ( 0.0094340 0.0010779 0.0148321), wk = 0.0028169 k( 355) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0109644 0.0109644 0.0001624), wk = 0.0028169 k( 3) = ( 0.0219288 0.0219288 0.0003248), wk = 0.0028169 k( 4) = ( 0.0328932 0.0328932 0.0004872), wk = 0.0028169 k( 5) = ( 0.0438575 0.0438575 0.0006496), wk = 0.0028169 k( 6) = ( 0.0548219 0.0548219 0.0008121), wk = 0.0028169 k( 7) = ( 0.0657863 0.0657863 0.0009745), wk = 0.0028169 k( 8) = ( 0.0767507 0.0767507 0.0011369), wk = 0.0028169 k( 9) = ( 0.0877151 0.0877151 0.0012993), wk = 0.0028169 k( 10) = ( 0.0986795 0.0986795 0.0014617), wk = 0.0028169 k( 11) = ( 0.1096438 0.1096438 0.0016241), wk = 0.0028169 k( 12) = ( 0.1206082 0.1206082 0.0017865), wk = 0.0028169 k( 13) = ( 0.1315726 0.1315726 0.0019490), wk = 0.0028169 k( 14) = ( 0.1425370 0.1425370 0.0021114), wk = 0.0028169 k( 15) = ( 0.1535014 0.1535014 0.0022738), wk = 0.0028169 k( 16) = ( 0.1644657 0.1644657 0.0024362), wk = 0.0028169 k( 17) = ( 0.1754301 0.1754301 0.0025986), wk = 0.0028169 k( 18) = ( 0.1863945 0.1863945 0.0027610), wk = 0.0028169 k( 19) = ( 0.1973589 0.1973589 0.0029234), wk = 0.0028169 k( 20) = ( 0.2083233 0.2083233 0.0030858), wk = 0.0028169 k( 21) = ( 0.2192877 0.2192877 0.0032483), wk = 0.0028169 k( 22) = ( 0.2302520 0.2302520 0.0034107), wk = 0.0028169 k( 23) = ( 0.2412164 0.2412164 0.0035731), wk = 0.0028169 k( 24) = ( 0.2521808 0.2521808 0.0037355), wk = 0.0028169 k( 25) = ( 0.2631452 0.2631452 0.0038979), wk = 0.0028169 k( 26) = ( 0.2741096 0.2741096 0.0040603), wk = 0.0028169 k( 27) = ( 0.2850740 0.2850740 0.0042227), wk = 0.0028169 k( 28) = ( 0.2960383 0.2960383 0.0043852), wk = 0.0028169 k( 29) = ( 0.3070027 0.3070027 0.0045476), wk = 0.0028169 k( 30) = ( 0.3179671 0.3179671 0.0047100), wk = 0.0028169 k( 31) = ( 0.3289315 0.3289315 0.0048724), wk = 0.0028169 k( 32) = ( 0.3398959 0.3398959 0.0050348), wk = 0.0028169 k( 33) = ( 0.3508603 0.3508603 0.0051972), wk = 0.0028169 k( 34) = ( 0.3618246 0.3618246 0.0053596), wk = 0.0028169 k( 35) = ( 0.3727890 0.3727890 0.0055220), wk = 0.0028169 k( 36) = ( 0.3837534 0.3837534 0.0056845), wk = 0.0028169 k( 37) = ( 0.3947178 0.3947178 0.0058469), wk = 0.0028169 k( 38) = ( 0.4056822 0.4056822 0.0060093), wk = 0.0028169 k( 39) = ( 0.4166466 0.4166466 0.0061717), wk = 0.0028169 k( 40) = ( 0.4276109 0.4276109 0.0063341), wk = 0.0028169 k( 41) = ( 0.4276109 0.4276109 0.0063341), wk = 0.0028169 k( 42) = ( 0.4316151 0.4316151 0.0163253), wk = 0.0028169 k( 43) = ( 0.4356193 0.4356193 0.0263164), wk = 0.0028169 k( 44) = ( 0.4396234 0.4396234 0.0363076), wk = 0.0028169 k( 45) = ( 0.4436276 0.4436276 0.0462987), wk = 0.0028169 k( 46) = ( 0.4476317 0.4476317 0.0562899), wk = 0.0028169 k( 47) = ( 0.4516359 0.4516359 0.0662810), wk = 0.0028169 k( 48) = ( 0.4556401 0.4556401 0.0762722), wk = 0.0028169 k( 49) = ( 0.4596442 0.4596442 0.0862634), wk = 0.0028169 k( 50) = ( 0.4636484 0.4636484 0.0962545), wk = 0.0028169 k( 51) = ( 0.4676525 0.4676525 0.1062456), wk = 0.0028169 k( 52) = ( 0.4716567 0.4716567 0.1162368), wk = 0.0028169 k( 53) = ( 0.4756609 0.4756609 0.1262280), wk = 0.0028169 k( 54) = ( 0.4796650 0.4796650 0.1362191), wk = 0.0028169 k( 55) = ( 0.4836692 0.4836692 0.1462103), wk = 0.0028169 k( 56) = ( 0.4876733 0.4876733 0.1562014), wk = 0.0028169 k( 57) = ( 0.4916775 0.4916775 0.1661926), wk = 0.0028169 k( 58) = ( 0.4956816 0.4956816 0.1761837), wk = 0.0028169 k( 59) = ( 0.4996858 0.4996858 0.1861749), wk = 0.0028169 k( 60) = ( 0.5036900 0.5036900 0.1961660), wk = 0.0028169 k( 61) = ( 0.5076941 0.5076941 0.2061572), wk = 0.0028169 k( 62) = ( 0.5116983 0.5116983 0.2161483), wk = 0.0028169 k( 63) = ( 0.5157025 0.5157025 0.2261395), wk = 0.0028169 k( 64) = ( 0.5197066 0.5197066 0.2361306), wk = 0.0028169 k( 65) = ( 0.5237108 0.5237108 0.2461218), wk = 0.0028169 k( 66) = ( 0.5277149 0.5277149 0.2561130), wk = 0.0028169 k( 67) = ( 0.5317191 0.5317191 0.2661041), wk = 0.0028169 k( 68) = ( 0.5357232 0.5357232 0.2760953), wk = 0.0028169 k( 69) = ( 0.5397274 0.5397274 0.2860864), wk = 0.0028169 k( 70) = ( 0.5437316 0.5437316 0.2960776), wk = 0.0028169 k( 71) = ( 0.5477357 0.5477357 0.3060687), wk = 0.0028169 k( 72) = ( 0.5517399 0.5517399 0.3160599), wk = 0.0028169 k( 73) = ( 0.5557440 0.5557440 0.3260510), wk = 0.0028169 k( 74) = ( 0.5597482 0.5597482 0.3360422), wk = 0.0028169 k( 75) = ( 0.5637524 0.5637524 0.3460333), wk = 0.0028169 k( 76) = ( 0.5677565 0.5677565 0.3560245), wk = 0.0028169 k( 77) = ( 0.5717607 0.5717607 0.3660156), wk = 0.0028169 k( 78) = ( 0.5757648 0.5757648 0.3760068), wk = 0.0028169 k( 79) = ( 0.5797690 0.5797690 0.3859979), wk = 0.0028169 k( 80) = ( 0.5837732 0.5837732 0.3959891), wk = 0.0028169 k( 81) = ( 0.5877773 0.5877773 0.4059803), wk = 0.0028169 k( 82) = ( 0.5917815 0.5917815 0.4159714), wk = 0.0028169 k( 83) = ( 0.5957856 0.5957856 0.4259626), wk = 0.0028169 k( 84) = ( 0.5997898 0.5997898 0.4359537), wk = 0.0028169 k( 85) = ( 0.5997898 0.5997898 0.4359537), wk = 0.0028169 k( 86) = ( 0.5926620 0.5926620 0.4405285), wk = 0.0028169 k( 87) = ( 0.5855341 0.5855341 0.4451032), wk = 0.0028169 k( 88) = ( 0.5784063 0.5784063 0.4496779), wk = 0.0028169 k( 89) = ( 0.5712784 0.5712784 0.4542527), wk = 0.0028169 k( 90) = ( 0.5641506 0.5641506 0.4588274), wk = 0.0028169 k( 91) = ( 0.5570227 0.5570227 0.4634021), wk = 0.0028169 k( 92) = ( 0.5498949 0.5498949 0.4679769), wk = 0.0028169 k( 93) = ( 0.5427671 0.5427671 0.4725516), wk = 0.0028169 k( 94) = ( 0.5356392 0.5356392 0.4771263), wk = 0.0028169 k( 95) = ( 0.5285114 0.5285114 0.4817011), wk = 0.0028169 k( 96) = ( 0.5213835 0.5213835 0.4862758), wk = 0.0028169 k( 97) = ( 0.5142557 0.5142557 0.4908505), wk = 0.0028169 k( 98) = ( 0.5071278 0.5071278 0.4954253), wk = 0.0028169 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 101) = ( 0.5127965 0.4872035 0.5000000), wk = 0.0028169 k( 102) = ( 0.5255930 0.4744070 0.5000000), wk = 0.0028169 k( 103) = ( 0.5383895 0.4616105 0.5000000), wk = 0.0028169 k( 104) = ( 0.5511860 0.4488140 0.5000000), wk = 0.0028169 k( 105) = ( 0.5639825 0.4360175 0.5000000), wk = 0.0028169 k( 106) = ( 0.5767790 0.4232210 0.5000000), wk = 0.0028169 k( 107) = ( 0.5895755 0.4104245 0.5000000), wk = 0.0028169 k( 108) = ( 0.6023721 0.3976279 0.5000000), wk = 0.0028169 k( 109) = ( 0.6151686 0.3848314 0.5000000), wk = 0.0028169 k( 110) = ( 0.6279651 0.3720349 0.5000000), wk = 0.0028169 k( 111) = ( 0.6407616 0.3592384 0.5000000), wk = 0.0028169 k( 112) = ( 0.6535581 0.3464419 0.5000000), wk = 0.0028169 k( 113) = ( 0.6663546 0.3336454 0.5000000), wk = 0.0028169 k( 114) = ( 0.6791511 0.3208489 0.5000000), wk = 0.0028169 k( 115) = ( 0.3208489 -0.3208489 0.5000000), wk = 0.0028169 k( 116) = ( 0.3080150 -0.3080150 0.5000000), wk = 0.0028169 k( 117) = ( 0.2951810 -0.2951810 0.5000000), wk = 0.0028169 k( 118) = ( 0.2823470 -0.2823470 0.5000000), wk = 0.0028169 k( 119) = ( 0.2695131 -0.2695131 0.5000000), wk = 0.0028169 k( 120) = ( 0.2566791 -0.2566791 0.5000000), wk = 0.0028169 k( 121) = ( 0.2438452 -0.2438452 0.5000000), wk = 0.0028169 k( 122) = ( 0.2310112 -0.2310112 0.5000000), wk = 0.0028169 k( 123) = ( 0.2181772 -0.2181772 0.5000000), wk = 0.0028169 k( 124) = ( 0.2053433 -0.2053433 0.5000000), wk = 0.0028169 k( 125) = ( 0.1925093 -0.1925093 0.5000000), wk = 0.0028169 k( 126) = ( 0.1796754 -0.1796754 0.5000000), wk = 0.0028169 k( 127) = ( 0.1668414 -0.1668414 0.5000000), wk = 0.0028169 k( 128) = ( 0.1540075 -0.1540075 0.5000000), wk = 0.0028169 k( 129) = ( 0.1411735 -0.1411735 0.5000000), wk = 0.0028169 k( 130) = ( 0.1283396 -0.1283396 0.5000000), wk = 0.0028169 k( 131) = ( 0.1155056 -0.1155056 0.5000000), wk = 0.0028169 k( 132) = ( 0.1026717 -0.1026717 0.5000000), wk = 0.0028169 k( 133) = ( 0.0898377 -0.0898377 0.5000000), wk = 0.0028169 k( 134) = ( 0.0770037 -0.0770037 0.5000000), wk = 0.0028169 k( 135) = ( 0.0641698 -0.0641698 0.5000000), wk = 0.0028169 k( 136) = ( 0.0513358 -0.0513358 0.5000000), wk = 0.0028169 k( 137) = ( 0.0385019 -0.0385019 0.5000000), wk = 0.0028169 k( 138) = ( 0.0256679 -0.0256679 0.5000000), wk = 0.0028169 k( 139) = ( 0.0128340 -0.0128340 0.5000000), wk = 0.0028169 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 142) = ( 0.0116106 0.0116106 0.5034870), wk = 0.0028169 k( 143) = ( 0.0232211 0.0232211 0.5069740), wk = 0.0028169 k( 144) = ( 0.0348316 0.0348316 0.5104611), wk = 0.0028169 k( 145) = ( 0.0464422 0.0464422 0.5139481), wk = 0.0028169 k( 146) = ( 0.0580528 0.0580528 0.5174351), wk = 0.0028169 k( 147) = ( 0.0696633 0.0696633 0.5209221), wk = 0.0028169 k( 148) = ( 0.0812738 0.0812738 0.5244092), wk = 0.0028169 k( 149) = ( 0.0928844 0.0928844 0.5278962), wk = 0.0028169 k( 150) = ( 0.1044949 0.1044949 0.5313832), wk = 0.0028169 k( 151) = ( 0.1161055 0.1161055 0.5348702), wk = 0.0028169 k( 152) = ( 0.1277160 0.1277160 0.5383573), wk = 0.0028169 k( 153) = ( 0.1393266 0.1393266 0.5418443), wk = 0.0028169 k( 154) = ( 0.1509371 0.1509371 0.5453313), wk = 0.0028169 k( 155) = ( 0.1625477 0.1625477 0.5488183), wk = 0.0028169 k( 156) = ( 0.1741582 0.1741582 0.5523054), wk = 0.0028169 k( 157) = ( 0.1857688 0.1857688 0.5557924), wk = 0.0028169 k( 158) = ( 0.1973793 0.1973793 0.5592794), wk = 0.0028169 k( 159) = ( 0.2089899 0.2089899 0.5627664), wk = 0.0028169 k( 160) = ( 0.2206004 0.2206004 0.5662535), wk = 0.0028169 k( 161) = ( 0.2322110 0.2322110 0.5697405), wk = 0.0028169 k( 162) = ( 0.2438215 0.2438215 0.5732275), wk = 0.0028169 k( 163) = ( 0.2554321 0.2554321 0.5767145), wk = 0.0028169 k( 164) = ( 0.2554321 0.2554321 0.5767145), wk = 0.0028169 k( 165) = ( 0.2657734 0.2657734 0.5758096), wk = 0.0028169 k( 166) = ( 0.2761147 0.2761147 0.5749048), wk = 0.0028169 k( 167) = ( 0.2864560 0.2864560 0.5739999), wk = 0.0028169 k( 168) = ( 0.2967973 0.2967973 0.5730950), wk = 0.0028169 k( 169) = ( 0.3071386 0.3071386 0.5721901), wk = 0.0028169 k( 170) = ( 0.3174799 0.3174799 0.5712853), wk = 0.0028169 k( 171) = ( 0.3278211 0.3278211 0.5703804), wk = 0.0028169 k( 172) = ( 0.3381624 0.3381624 0.5694755), wk = 0.0028169 k( 173) = ( 0.3485037 0.3485037 0.5685706), wk = 0.0028169 k( 174) = ( 0.3588450 0.3588450 0.5676658), wk = 0.0028169 k( 175) = ( 0.3691863 0.3691863 0.5667609), wk = 0.0028169 k( 176) = ( 0.3795276 0.3795276 0.5658560), wk = 0.0028169 k( 177) = ( 0.3898689 0.3898689 0.5649512), wk = 0.0028169 k( 178) = ( 0.4002102 0.4002102 0.5640463), wk = 0.0028169 k( 179) = ( 0.7445679 -0.2554321 0.4232855), wk = 0.0028169 k( 180) = ( 0.7405638 -0.2594362 0.4132943), wk = 0.0028169 k( 181) = ( 0.7365596 -0.2634404 0.4033032), wk = 0.0028169 k( 182) = ( 0.7325554 -0.2674446 0.3933120), wk = 0.0028169 k( 183) = ( 0.7285513 -0.2714487 0.3833209), wk = 0.0028169 k( 184) = ( 0.7245471 -0.2754529 0.3733297), wk = 0.0028169 k( 185) = ( 0.7205430 -0.2794570 0.3633386), wk = 0.0028169 k( 186) = ( 0.7165388 -0.2834612 0.3533474), wk = 0.0028169 k( 187) = ( 0.7125346 -0.2874654 0.3433562), wk = 0.0028169 k( 188) = ( 0.7085305 -0.2914695 0.3333651), wk = 0.0028169 k( 189) = ( 0.7045263 -0.2954737 0.3233740), wk = 0.0028169 k( 190) = ( 0.7005222 -0.2994778 0.3133828), wk = 0.0028169 k( 191) = ( 0.6965180 -0.3034820 0.3033916), wk = 0.0028169 k( 192) = ( 0.6925138 -0.3074862 0.2934005), wk = 0.0028169 k( 193) = ( 0.6885097 -0.3114903 0.2834093), wk = 0.0028169 k( 194) = ( 0.6845055 -0.3154945 0.2734182), wk = 0.0028169 k( 195) = ( 0.6805014 -0.3194986 0.2634270), wk = 0.0028169 k( 196) = ( 0.6764972 -0.3235028 0.2534359), wk = 0.0028169 k( 197) = ( 0.6724931 -0.3275070 0.2434447), wk = 0.0028169 k( 198) = ( 0.6684889 -0.3315111 0.2334536), wk = 0.0028169 k( 199) = ( 0.6644847 -0.3355153 0.2234624), wk = 0.0028169 k( 200) = ( 0.6604806 -0.3395194 0.2134713), wk = 0.0028169 k( 201) = ( 0.6564764 -0.3435236 0.2034801), wk = 0.0028169 k( 202) = ( 0.6524722 -0.3475278 0.1934889), wk = 0.0028169 k( 203) = ( 0.6484681 -0.3515319 0.1834978), wk = 0.0028169 k( 204) = ( 0.6444639 -0.3555361 0.1735066), wk = 0.0028169 k( 205) = ( 0.6404598 -0.3595402 0.1635155), wk = 0.0028169 k( 206) = ( 0.6364556 -0.3635444 0.1535243), wk = 0.0028169 k( 207) = ( 0.6324515 -0.3675485 0.1435332), wk = 0.0028169 k( 208) = ( 0.6284473 -0.3715527 0.1335420), wk = 0.0028169 k( 209) = ( 0.6244431 -0.3755569 0.1235509), wk = 0.0028169 k( 210) = ( 0.6204390 -0.3795610 0.1135597), wk = 0.0028169 k( 211) = ( 0.6164348 -0.3835652 0.1035686), wk = 0.0028169 k( 212) = ( 0.6124307 -0.3875693 0.0935774), wk = 0.0028169 k( 213) = ( 0.6084265 -0.3915735 0.0835863), wk = 0.0028169 k( 214) = ( 0.6044223 -0.3955777 0.0735951), wk = 0.0028169 k( 215) = ( 0.6004182 -0.3995818 0.0636040), wk = 0.0028169 k( 216) = ( 0.5964140 -0.4035860 0.0536128), wk = 0.0028169 k( 217) = ( 0.5924099 -0.4075901 0.0436216), wk = 0.0028169 k( 218) = ( 0.5884057 -0.4115943 0.0336305), wk = 0.0028169 k( 219) = ( 0.5844015 -0.4155985 0.0236393), wk = 0.0028169 k( 220) = ( 0.5803974 -0.4196026 0.0136482), wk = 0.0028169 k( 221) = ( 0.5763932 -0.4236068 0.0036570), wk = 0.0028169 k( 222) = ( 0.5723891 -0.4276109 -0.0063341), wk = 0.0028169 k( 223) = ( 0.5723891 -0.4276109 -0.0063341), wk = 0.0028169 k( 224) = ( 0.5620478 -0.4379522 -0.0054292), wk = 0.0028169 k( 225) = ( 0.5517065 -0.4482935 -0.0045244), wk = 0.0028169 k( 226) = ( 0.5413652 -0.4586348 -0.0036195), wk = 0.0028169 k( 227) = ( 0.5310239 -0.4689761 -0.0027146), wk = 0.0028169 k( 228) = ( 0.5206826 -0.4793174 -0.0018098), wk = 0.0028169 k( 229) = ( 0.5103413 -0.4896587 -0.0009049), wk = 0.0028169 k( 230) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0028169 k( 231) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0028169 k( 232) = ( 0.4871795 -0.4871795 0.0000000), wk = 0.0028169 k( 233) = ( 0.4743590 -0.4743590 -0.0000000), wk = 0.0028169 k( 234) = ( 0.4615385 -0.4615385 -0.0000000), wk = 0.0028169 k( 235) = ( 0.4487179 -0.4487179 -0.0000000), wk = 0.0028169 k( 236) = ( 0.4358974 -0.4358974 -0.0000000), wk = 0.0028169 k( 237) = ( 0.4230769 -0.4230769 0.0000000), wk = 0.0028169 k( 238) = ( 0.4102564 -0.4102564 -0.0000000), wk = 0.0028169 k( 239) = ( 0.3974359 -0.3974359 -0.0000000), wk = 0.0028169 k( 240) = ( 0.3846154 -0.3846154 -0.0000000), wk = 0.0028169 k( 241) = ( 0.3717949 -0.3717949 -0.0000000), wk = 0.0028169 k( 242) = ( 0.3589744 -0.3589744 -0.0000000), wk = 0.0028169 k( 243) = ( 0.3461538 -0.3461538 0.0000000), wk = 0.0028169 k( 244) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0028169 k( 245) = ( 0.3205128 -0.3205128 0.0000000), wk = 0.0028169 k( 246) = ( 0.3076923 -0.3076923 -0.0000000), wk = 0.0028169 k( 247) = ( 0.2948718 -0.2948718 -0.0000000), wk = 0.0028169 k( 248) = ( 0.2820513 -0.2820513 -0.0000000), wk = 0.0028169 k( 249) = ( 0.2692308 -0.2692308 -0.0000000), wk = 0.0028169 k( 250) = ( 0.2564103 -0.2564103 0.0000000), wk = 0.0028169 k( 251) = ( 0.2435897 -0.2435897 -0.0000000), wk = 0.0028169 k( 252) = ( 0.2307692 -0.2307692 -0.0000000), wk = 0.0028169 k( 253) = ( 0.2179487 -0.2179487 -0.0000000), wk = 0.0028169 k( 254) = ( 0.2051282 -0.2051282 0.0000000), wk = 0.0028169 k( 255) = ( 0.1923077 -0.1923077 -0.0000000), wk = 0.0028169 k( 256) = ( 0.1794872 -0.1794872 -0.0000000), wk = 0.0028169 k( 257) = ( 0.1666667 -0.1666667 0.0000000), wk = 0.0028169 k( 258) = ( 0.1538461 -0.1538461 0.0000000), wk = 0.0028169 k( 259) = ( 0.1410256 -0.1410256 -0.0000000), wk = 0.0028169 k( 260) = ( 0.1282051 -0.1282051 0.0000000), wk = 0.0028169 k( 261) = ( 0.1153846 -0.1153846 -0.0000000), wk = 0.0028169 k( 262) = ( 0.1025641 -0.1025641 -0.0000000), wk = 0.0028169 k( 263) = ( 0.0897436 -0.0897436 -0.0000000), wk = 0.0028169 k( 264) = ( 0.0769231 -0.0769231 0.0000000), wk = 0.0028169 k( 265) = ( 0.0641026 -0.0641026 -0.0000000), wk = 0.0028169 k( 266) = ( 0.0512821 -0.0512821 -0.0000000), wk = 0.0028169 k( 267) = ( 0.0384615 -0.0384615 0.0000000), wk = 0.0028169 k( 268) = ( 0.0256410 -0.0256410 -0.0000000), wk = 0.0028169 k( 269) = ( 0.0128205 -0.0128205 -0.0000000), wk = 0.0028169 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 272) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0028169 k( 273) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0028169 k( 274) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0028169 k( 275) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0028169 k( 276) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028169 k( 277) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0028169 k( 278) = ( 0.1166667 0.0000000 -0.0000000), wk = 0.0028169 k( 279) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0028169 k( 280) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0028169 k( 281) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028169 k( 282) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0028169 k( 283) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0028169 k( 284) = ( 0.2166667 0.0000000 -0.0000000), wk = 0.0028169 k( 285) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0028169 k( 286) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028169 k( 287) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0028169 k( 288) = ( 0.2833333 0.0000000 -0.0000000), wk = 0.0028169 k( 289) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0028169 k( 290) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0028169 k( 291) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028169 k( 292) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0028169 k( 293) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0028169 k( 294) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0028169 k( 295) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0028169 k( 296) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028169 k( 297) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0028169 k( 298) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0028169 k( 299) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0028169 k( 300) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0028169 k( 301) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028169 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028169 k( 303) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028169 k( 304) = ( 0.4811321 -0.0000000 0.4811321), wk = 0.0028169 k( 305) = ( 0.4716981 0.0000000 0.4716981), wk = 0.0028169 k( 306) = ( 0.4622641 0.0000000 0.4622641), wk = 0.0028169 k( 307) = ( 0.4528302 -0.0000000 0.4528302), wk = 0.0028169 k( 308) = ( 0.4433962 -0.0000000 0.4433962), wk = 0.0028169 k( 309) = ( 0.4339623 0.0000000 0.4339623), wk = 0.0028169 k( 310) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028169 k( 311) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028169 k( 312) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028169 k( 313) = ( 0.3962264 0.0000000 0.3962264), wk = 0.0028169 k( 314) = ( 0.3867925 0.0000000 0.3867925), wk = 0.0028169 k( 315) = ( 0.3773585 0.0000000 0.3773585), wk = 0.0028169 k( 316) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028169 k( 317) = ( 0.3584906 -0.0000000 0.3584906), wk = 0.0028169 k( 318) = ( 0.3490566 0.0000000 0.3490566), wk = 0.0028169 k( 319) = ( 0.3396226 0.0000000 0.3396226), wk = 0.0028169 k( 320) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028169 k( 321) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028169 k( 322) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028169 k( 323) = ( 0.3018868 0.0000000 0.3018868), wk = 0.0028169 k( 324) = ( 0.2924528 0.0000000 0.2924528), wk = 0.0028169 k( 325) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028169 k( 326) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028169 k( 327) = ( 0.2641509 0.0000000 0.2641509), wk = 0.0028169 k( 328) = ( 0.2547170 0.0000000 0.2547170), wk = 0.0028169 k( 329) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028169 k( 330) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028169 k( 331) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028169 k( 332) = ( 0.2169811 0.0000000 0.2169811), wk = 0.0028169 k( 333) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028169 k( 334) = ( 0.1981132 0.0000000 0.1981132), wk = 0.0028169 k( 335) = ( 0.1886792 0.0000000 0.1886792), wk = 0.0028169 k( 336) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028169 k( 337) = ( 0.1698113 0.0000000 0.1698113), wk = 0.0028169 k( 338) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028169 k( 339) = ( 0.1509434 0.0000000 0.1509434), wk = 0.0028169 k( 340) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028169 k( 341) = ( 0.1320755 0.0000000 0.1320755), wk = 0.0028169 k( 342) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028169 k( 343) = ( 0.1132076 -0.0000000 0.1132076), wk = 0.0028169 k( 344) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028169 k( 345) = ( 0.0943396 0.0000000 0.0943396), wk = 0.0028169 k( 346) = ( 0.0849057 0.0000000 0.0849057), wk = 0.0028169 k( 347) = ( 0.0754717 0.0000000 0.0754717), wk = 0.0028169 k( 348) = ( 0.0660377 0.0000000 0.0660377), wk = 0.0028169 k( 349) = ( 0.0566038 0.0000000 0.0566038), wk = 0.0028169 k( 350) = ( 0.0471698 0.0000000 0.0471698), wk = 0.0028169 k( 351) = ( 0.0377359 0.0000000 0.0377359), wk = 0.0028169 k( 352) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028169 k( 353) = ( 0.0188679 0.0000000 0.0188679), wk = 0.0028169 k( 354) = ( 0.0094340 0.0000000 0.0094340), wk = 0.0028169 k( 355) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 Dense grid: 86827 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 634, 40) NL pseudopotentials 0.43 Mb ( 317, 88) 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 1.55 Mb ( 634, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 88, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiHO2.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 11.0 secs Computing kpt #: 18 total cpu time spent up to now is 11.6 secs Computing kpt #: 19 total cpu time spent up to now is 12.2 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.3 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 19.1 secs Computing kpt #: 32 total cpu time spent up to now is 19.6 secs Computing kpt #: 33 total cpu time spent up to now is 20.2 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.5 secs Computing kpt #: 38 total cpu time spent up to now is 23.1 secs Computing kpt #: 39 total cpu time spent up to now is 23.7 secs Computing kpt #: 40 total cpu time spent up to now is 24.3 secs Computing kpt #: 41 total cpu time spent up to now is 24.9 secs Computing kpt #: 42 total cpu time spent up to now is 25.4 secs Computing kpt #: 43 total cpu time spent up to now is 26.0 secs Computing kpt #: 44 total cpu time spent up to now is 26.6 secs Computing kpt #: 45 total cpu time spent up to now is 27.2 secs Computing kpt #: 46 total cpu time spent up to now is 27.7 secs Computing kpt #: 47 total cpu time spent up to now is 28.3 secs Computing kpt #: 48 total cpu time spent up to now is 28.9 secs Computing kpt #: 49 total cpu time spent up to now is 29.5 secs Computing kpt #: 50 total cpu time spent up to now is 30.1 secs Computing kpt #: 51 total cpu time spent up to now is 30.7 secs Computing kpt #: 52 total cpu time spent up to now is 31.2 secs Computing kpt #: 53 total cpu time spent up to now is 31.8 secs Computing kpt #: 54 total cpu time spent up to now is 32.4 secs Computing kpt #: 55 total cpu time spent up to now is 33.0 secs Computing kpt #: 56 total cpu time spent up to now is 33.6 secs Computing kpt #: 57 total cpu time spent up to now is 34.2 secs Computing kpt #: 58 total cpu time spent up to now is 34.8 secs Computing kpt #: 59 total cpu time spent up to now is 35.4 secs Computing kpt #: 60 total cpu time spent up to now is 36.0 secs Computing kpt #: 61 total cpu time spent up to now is 36.7 secs Computing kpt #: 62 total cpu time spent up to now is 37.3 secs Computing kpt #: 63 total cpu time spent up to now is 37.9 secs Computing kpt #: 64 total cpu time spent up to now is 38.5 secs Computing kpt #: 65 total cpu time spent up to now is 39.1 secs Computing kpt #: 66 total cpu time spent up to now is 39.7 secs Computing kpt #: 67 total cpu time spent up to now is 40.4 secs Computing kpt #: 68 total cpu time spent up to now is 41.0 secs Computing kpt #: 69 total cpu time spent up to now is 41.7 secs Computing kpt #: 70 total cpu time spent up to now is 42.3 secs Computing kpt #: 71 total cpu time spent up to now is 43.0 secs Computing kpt #: 72 total cpu time spent up to now is 43.6 secs Computing kpt #: 73 total cpu time spent up to now is 44.3 secs Computing kpt #: 74 total cpu time spent up to now is 45.0 secs Computing kpt #: 75 total cpu time spent up to now is 45.7 secs Computing kpt #: 76 total cpu time spent up to now is 46.4 secs Computing kpt #: 77 total cpu time spent up to now is 47.1 secs Computing kpt #: 78 total cpu time spent up to now is 47.9 secs Computing kpt #: 79 total cpu time spent up to now is 48.7 secs Computing kpt #: 80 total cpu time spent up to now is 49.5 secs Computing kpt #: 81 total cpu time spent up to now is 50.3 secs Computing kpt #: 82 total cpu time spent up to now is 51.1 secs Computing kpt #: 83 total cpu time spent up to now is 51.9 secs Computing kpt #: 84 total cpu time spent up to now is 52.7 secs Computing kpt #: 85 total cpu time spent up to now is 53.5 secs Computing kpt #: 86 total cpu time spent up to now is 54.3 secs Computing kpt #: 87 total cpu time spent up to now is 55.1 secs Computing kpt #: 88 total cpu time spent up to now is 55.9 secs Computing kpt #: 89 total cpu time spent up to now is 56.7 secs Computing kpt #: 90 total cpu time spent up to now is 57.5 secs Computing kpt #: 91 total cpu time spent up to now is 58.3 secs Computing kpt #: 92 total cpu time spent up to now is 59.1 secs Computing kpt #: 93 total cpu time spent up to now is 59.9 secs Computing kpt #: 94 total cpu time spent up to now is 60.7 secs Computing kpt #: 95 total cpu time spent up to now is 61.8 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.6 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.4 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.2 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 100 total cpu time spent up to now is 70.5 secs Computing kpt #: 101 total cpu time spent up to now is 71.8 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.5 secs Computing kpt #: 103 total cpu time spent up to now is 74.4 secs Computing kpt #: 104 total cpu time spent up to now is 75.7 secs Computing kpt #: 105 total cpu time spent up to now is 76.9 secs Computing kpt #: 106 total cpu time spent up to now is 77.9 secs Computing kpt #: 107 total cpu time spent up to now is 79.0 secs Computing kpt #: 108 total cpu time spent up to now is 80.1 secs Computing kpt #: 109 total cpu time spent up to now is 81.1 secs Computing kpt #: 110 total cpu time spent up to now is 82.0 secs Computing kpt #: 111 total cpu time spent up to now is 83.1 secs Computing kpt #: 112 total cpu time spent up to now is 84.0 secs Computing kpt #: 113 total cpu time spent up to now is 84.8 secs Computing kpt #: 114 total cpu time spent up to now is 85.9 secs Computing kpt #: 115 total cpu time spent up to now is 86.8 secs Computing kpt #: 116 total cpu time spent up to now is 87.7 secs Computing kpt #: 117 total cpu time spent up to now is 88.5 secs Computing kpt #: 118 total cpu time spent up to now is 89.2 secs Computing kpt #: 119 total cpu time spent up to now is 89.9 secs Computing kpt #: 120 total cpu time spent up to now is 90.6 secs Computing kpt #: 121 total cpu time spent up to now is 91.2 secs Computing kpt #: 122 total cpu time spent up to now is 91.9 secs Computing kpt #: 123 total cpu time spent up to now is 92.6 secs Computing kpt #: 124 total cpu time spent up to now is 93.2 secs Computing kpt #: 125 total cpu time spent up to now is 93.9 secs Computing kpt #: 126 total cpu time spent up to now is 94.5 secs Computing kpt #: 127 total cpu time spent up to now is 95.2 secs Computing kpt #: 128 total cpu time spent up to now is 95.8 secs Computing kpt #: 129 total cpu time spent up to now is 96.5 secs Computing kpt #: 130 total cpu time spent up to now is 97.1 secs Computing kpt #: 131 total cpu time spent up to now is 97.8 secs Computing kpt #: 132 total cpu time spent up to now is 98.4 secs Computing kpt #: 133 total cpu time spent up to now is 99.0 secs Computing kpt #: 134 total cpu time spent up to now is 99.6 secs Computing kpt #: 135 total cpu time spent up to now is 100.3 secs Computing kpt #: 136 total cpu time spent up to now is 100.9 secs Computing kpt #: 137 total cpu time spent up to now is 101.5 secs Computing kpt #: 138 total cpu time spent up to now is 102.2 secs Computing kpt #: 139 total cpu time spent up to now is 102.8 secs Computing kpt #: 140 total cpu time spent up to now is 103.4 secs Computing kpt #: 141 total cpu time spent up to now is 104.0 secs Computing kpt #: 142 total cpu time spent up to now is 104.7 secs Computing kpt #: 143 total cpu time spent up to now is 105.3 secs Computing kpt #: 144 total cpu time spent up to now is 105.9 secs Computing kpt #: 145 total cpu time spent up to now is 106.6 secs Computing kpt #: 146 total cpu time spent up to now is 107.2 secs Computing kpt #: 147 total cpu time spent up to now is 107.9 secs Computing kpt #: 148 total cpu time spent up to now is 108.5 secs Computing kpt #: 149 total cpu time spent up to now is 109.2 secs Computing kpt #: 150 total cpu time spent up to now is 109.8 secs Computing kpt #: 151 total cpu time spent up to now is 110.5 secs Computing kpt #: 152 total cpu time spent up to now is 111.1 secs Computing kpt #: 153 total cpu time spent up to now is 111.8 secs Computing kpt #: 154 total cpu time spent up to now is 112.4 secs Computing kpt #: 155 total cpu time spent up to now is 113.1 secs Computing kpt #: 156 total cpu time spent up to now is 113.8 secs Computing kpt #: 157 total cpu time spent up to now is 114.4 secs Computing kpt #: 158 total cpu time spent up to now is 115.1 secs Computing kpt #: 159 total cpu time spent up to now is 115.8 secs Computing kpt #: 160 total cpu time spent up to now is 116.4 secs Computing kpt #: 161 total cpu time spent up to now is 117.2 secs Computing kpt #: 162 total cpu time spent up to now is 118.0 secs Computing kpt #: 163 total cpu time spent up to now is 118.6 secs Computing kpt #: 164 total cpu time spent up to now is 119.3 secs Computing kpt #: 165 total cpu time spent up to now is 120.1 secs Computing kpt #: 166 total cpu time spent up to now is 120.8 secs Computing kpt #: 167 total cpu time spent up to now is 121.6 secs Computing kpt #: 168 total cpu time spent up to now is 122.4 secs Computing kpt #: 169 total cpu time spent up to now is 123.2 secs Computing kpt #: 170 total cpu time spent up to now is 124.0 secs Computing kpt #: 171 total cpu time spent up to now is 124.8 secs Computing kpt #: 172 total cpu time spent up to now is 125.6 secs Computing kpt #: 173 total cpu time spent up to now is 126.4 secs Computing kpt #: 174 total cpu time spent up to now is 127.2 secs Computing kpt #: 175 total cpu time spent up to now is 128.0 secs Computing kpt #: 176 total cpu time spent up to now is 128.8 secs Computing kpt #: 177 total cpu time spent up to now is 129.8 secs Computing kpt #: 178 total cpu time spent up to now is 130.6 secs Computing kpt #: 179 total cpu time spent up to now is 131.4 secs Computing kpt #: 180 total cpu time spent up to now is 132.1 secs Computing kpt #: 181 total cpu time spent up to now is 132.8 secs Computing kpt #: 182 total cpu time spent up to now is 133.5 secs Computing kpt #: 183 total cpu time spent up to now is 134.3 secs Computing kpt #: 184 total cpu time spent up to now is 134.9 secs Computing kpt #: 185 total cpu time spent up to now is 135.6 secs Computing kpt #: 186 total cpu time spent up to now is 136.2 secs Computing kpt #: 187 total cpu time spent up to now is 136.8 secs Computing kpt #: 188 total cpu time spent up to now is 137.5 secs Computing kpt #: 189 total cpu time spent up to now is 138.1 secs Computing kpt #: 190 total cpu time spent up to now is 138.8 secs Computing kpt #: 191 total cpu time spent up to now is 139.4 secs Computing kpt #: 192 total cpu time spent up to now is 140.0 secs Computing kpt #: 193 total cpu time spent up to now is 140.6 secs Computing kpt #: 194 total cpu time spent up to now is 141.2 secs Computing kpt #: 195 total cpu time spent up to now is 141.9 secs Computing kpt #: 196 total cpu time spent up to now is 142.5 secs Computing kpt #: 197 total cpu time spent up to now is 143.1 secs Computing kpt #: 198 total cpu time spent up to now is 143.7 secs Computing kpt #: 199 total cpu time spent up to now is 144.3 secs Computing kpt #: 200 total cpu time spent up to now is 144.9 secs Computing kpt #: 201 total cpu time spent up to now is 145.5 secs Computing kpt #: 202 total cpu time spent up to now is 146.0 secs Computing kpt #: 203 total cpu time spent up to now is 146.6 secs Computing kpt #: 204 total cpu time spent up to now is 147.2 secs Computing kpt #: 205 total cpu time spent up to now is 147.8 secs Computing kpt #: 206 total cpu time spent up to now is 148.4 secs Computing kpt #: 207 total cpu time spent up to now is 149.0 secs Computing kpt #: 208 total cpu time spent up to now is 149.5 secs Computing kpt #: 209 total cpu time spent up to now is 150.1 secs Computing kpt #: 210 total cpu time spent up to now is 150.7 secs Computing kpt #: 211 total cpu time spent up to now is 151.3 secs Computing kpt #: 212 total cpu time spent up to now is 151.8 secs Computing kpt #: 213 total cpu time spent up to now is 152.4 secs Computing kpt #: 214 total cpu time spent up to now is 153.0 secs Computing kpt #: 215 total cpu time spent up to now is 153.6 secs Computing kpt #: 216 total cpu time spent up to now is 154.1 secs Computing kpt #: 217 total cpu time spent up to now is 154.7 secs Computing kpt #: 218 total cpu time spent up to now is 155.3 secs Computing kpt #: 219 total cpu time spent up to now is 155.8 secs Computing kpt #: 220 total cpu time spent up to now is 156.4 secs Computing kpt #: 221 total cpu time spent up to now is 157.0 secs Computing kpt #: 222 total cpu time spent up to now is 157.6 secs Computing kpt #: 223 total cpu time spent up to now is 158.1 secs Computing kpt #: 224 total cpu time spent up to now is 158.7 secs Computing kpt #: 225 total cpu time spent up to now is 159.3 secs Computing kpt #: 226 total cpu time spent up to now is 159.9 secs Computing kpt #: 227 total cpu time spent up to now is 160.4 secs Computing kpt #: 228 total cpu time spent up to now is 161.0 secs Computing kpt #: 229 total cpu time spent up to now is 161.6 secs Computing kpt #: 230 total cpu time spent up to now is 162.1 secs Computing kpt #: 231 total cpu time spent up to now is 162.7 secs Computing kpt #: 232 total cpu time spent up to now is 163.3 secs Computing kpt #: 233 total cpu time spent up to now is 163.9 secs Computing kpt #: 234 total cpu time spent up to now is 164.4 secs Computing kpt #: 235 total cpu time spent up to now is 165.0 secs Computing kpt #: 236 total cpu time spent up to now is 165.6 secs Computing kpt #: 237 total cpu time spent up to now is 166.2 secs Computing kpt #: 238 total cpu time spent up to now is 166.8 secs Computing kpt #: 239 total cpu time spent up to now is 167.4 secs Computing kpt #: 240 total cpu time spent up to now is 167.9 secs Computing kpt #: 241 total cpu time spent up to now is 168.5 secs Computing kpt #: 242 total cpu time spent up to now is 169.1 secs Computing kpt #: 243 total cpu time spent up to now is 169.7 secs Computing kpt #: 244 total cpu time spent up to now is 170.3 secs Computing kpt #: 245 total cpu time spent up to now is 170.9 secs Computing kpt #: 246 total cpu time spent up to now is 171.4 secs Computing kpt #: 247 total cpu time spent up to now is 172.0 secs Computing kpt #: 248 total cpu time spent up to now is 172.6 secs Computing kpt #: 249 total cpu time spent up to now is 173.2 secs Computing kpt #: 250 total cpu time spent up to now is 173.8 secs Computing kpt #: 251 total cpu time spent up to now is 174.3 secs Computing kpt #: 252 total cpu time spent up to now is 174.9 secs Computing kpt #: 253 total cpu time spent up to now is 175.5 secs Computing kpt #: 254 total cpu time spent up to now is 176.1 secs Computing kpt #: 255 total cpu time spent up to now is 176.7 secs Computing kpt #: 256 total cpu time spent up to now is 177.2 secs Computing kpt #: 257 total cpu time spent up to now is 177.8 secs Computing kpt #: 258 total cpu time spent up to now is 178.4 secs Computing kpt #: 259 total cpu time spent up to now is 178.9 secs Computing kpt #: 260 total cpu time spent up to now is 179.5 secs Computing kpt #: 261 total cpu time spent up to now is 180.1 secs Computing kpt #: 262 total cpu time spent up to now is 180.7 secs Computing kpt #: 263 total cpu time spent up to now is 181.2 secs Computing kpt #: 264 total cpu time spent up to now is 181.8 secs Computing kpt #: 265 total cpu time spent up to now is 182.4 secs Computing kpt #: 266 total cpu time spent up to now is 183.0 secs Computing kpt #: 267 total cpu time spent up to now is 183.5 secs Computing kpt #: 268 total cpu time spent up to now is 184.1 secs Computing kpt #: 269 total cpu time spent up to now is 184.7 secs Computing kpt #: 270 total cpu time spent up to now is 185.2 secs Computing kpt #: 271 total cpu time spent up to now is 185.8 secs Computing kpt #: 272 total cpu time spent up to now is 186.3 secs Computing kpt #: 273 total cpu time spent up to now is 186.9 secs Computing kpt #: 274 total cpu time spent up to now is 187.5 secs Computing kpt #: 275 total cpu time spent up to now is 188.1 secs Computing kpt #: 276 total cpu time spent up to now is 188.6 secs Computing kpt #: 277 total cpu time spent up to now is 189.2 secs Computing kpt #: 278 total cpu time spent up to now is 189.8 secs Computing kpt #: 279 total cpu time spent up to now is 190.4 secs Computing kpt #: 280 total cpu time spent up to now is 190.9 secs Computing kpt #: 281 total cpu time spent up to now is 191.5 secs Computing kpt #: 282 total cpu time spent up to now is 192.1 secs Computing kpt #: 283 total cpu time spent up to now is 192.7 secs Computing kpt #: 284 total cpu time spent up to now is 193.3 secs Computing kpt #: 285 total cpu time spent up to now is 193.8 secs Computing kpt #: 286 total cpu time spent up to now is 194.4 secs Computing kpt #: 287 total cpu time spent up to now is 195.0 secs Computing kpt #: 288 total cpu time spent up to now is 195.6 secs Computing kpt #: 289 total cpu time spent up to now is 196.2 secs Computing kpt #: 290 total cpu time spent up to now is 196.8 secs Computing kpt #: 291 total cpu time spent up to now is 197.4 secs Computing kpt #: 292 total cpu time spent up to now is 197.9 secs Computing kpt #: 293 total cpu time spent up to now is 198.5 secs Computing kpt #: 294 total cpu time spent up to now is 199.1 secs Computing kpt #: 295 total cpu time spent up to now is 199.7 secs Computing kpt #: 296 total cpu time spent up to now is 200.3 secs Computing kpt #: 297 total cpu time spent up to now is 200.9 secs Computing kpt #: 298 total cpu time spent up to now is 201.4 secs Computing kpt #: 299 total cpu time spent up to now is 202.0 secs Computing kpt #: 300 total cpu time spent up to now is 202.6 secs Computing kpt #: 301 total cpu time spent up to now is 203.2 secs Computing kpt #: 302 total cpu time spent up to now is 204.0 secs Computing kpt #: 303 total cpu time spent up to now is 204.9 secs Computing kpt #: 304 total cpu time spent up to now is 205.7 secs Computing kpt #: 305 total cpu time spent up to now is 206.5 secs Computing kpt #: 306 total cpu time spent up to now is 207.3 secs Computing kpt #: 307 total cpu time spent up to now is 208.1 secs Computing kpt #: 308 total cpu time spent up to now is 208.9 secs Computing kpt #: 309 total cpu time spent up to now is 209.6 secs Computing kpt #: 310 total cpu time spent up to now is 210.4 secs Computing kpt #: 311 total cpu time spent up to now is 211.2 secs Computing kpt #: 312 total cpu time spent up to now is 212.0 secs Computing kpt #: 313 total cpu time spent up to now is 212.7 secs Computing kpt #: 314 total cpu time spent up to now is 213.5 secs Computing kpt #: 315 total cpu time spent up to now is 214.2 secs Computing kpt #: 316 total cpu time spent up to now is 214.9 secs Computing kpt #: 317 total cpu time spent up to now is 215.7 secs Computing kpt #: 318 total cpu time spent up to now is 216.4 secs Computing kpt #: 319 total cpu time spent up to now is 217.1 secs Computing kpt #: 320 total cpu time spent up to now is 217.7 secs Computing kpt #: 321 total cpu time spent up to now is 218.4 secs Computing kpt #: 322 total cpu time spent up to now is 219.1 secs Computing kpt #: 323 total cpu time spent up to now is 219.7 secs Computing kpt #: 324 total cpu time spent up to now is 220.3 secs Computing kpt #: 325 total cpu time spent up to now is 221.0 secs Computing kpt #: 326 total cpu time spent up to now is 221.6 secs Computing kpt #: 327 total cpu time spent up to now is 222.2 secs Computing kpt #: 328 total cpu time spent up to now is 222.9 secs Computing kpt #: 329 total cpu time spent up to now is 223.5 secs Computing kpt #: 330 total cpu time spent up to now is 224.1 secs Computing kpt #: 331 total cpu time spent up to now is 224.7 secs Computing kpt #: 332 total cpu time spent up to now is 225.3 secs Computing kpt #: 333 total cpu time spent up to now is 225.9 secs Computing kpt #: 334 total cpu time spent up to now is 226.5 secs Computing kpt #: 335 total cpu time spent up to now is 227.1 secs Computing kpt #: 336 total cpu time spent up to now is 227.7 secs Computing kpt #: 337 total cpu time spent up to now is 228.3 secs Computing kpt #: 338 total cpu time spent up to now is 228.9 secs Computing kpt #: 339 total cpu time spent up to now is 229.5 secs Computing kpt #: 340 total cpu time spent up to now is 230.1 secs Computing kpt #: 341 total cpu time spent up to now is 230.7 secs Computing kpt #: 342 total cpu time spent up to now is 231.2 secs Computing kpt #: 343 total cpu time spent up to now is 231.8 secs Computing kpt #: 344 total cpu time spent up to now is 232.4 secs Computing kpt #: 345 total cpu time spent up to now is 233.0 secs Computing kpt #: 346 total cpu time spent up to now is 233.5 secs Computing kpt #: 347 total cpu time spent up to now is 234.1 secs Computing kpt #: 348 total cpu time spent up to now is 234.7 secs Computing kpt #: 349 total cpu time spent up to now is 235.2 secs Computing kpt #: 350 total cpu time spent up to now is 235.8 secs Computing kpt #: 351 total cpu time spent up to now is 236.4 secs Computing kpt #: 352 total cpu time spent up to now is 236.9 secs Computing kpt #: 353 total cpu time spent up to now is 237.5 secs Computing kpt #: 354 total cpu time spent up to now is 238.1 secs Computing kpt #: 355 total cpu time spent up to now is 238.6 secs ethr = 3.13E-08, avg # of iterations = 19.6 total cpu time spent up to now is 238.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6803 -18.6803 -18.5153 -18.5153 -16.5893 -16.5893 -16.5643 -16.5643 -4.9657 -4.9657 -4.7306 -4.7306 -3.7101 -3.7101 -3.4777 -3.4777 -2.9507 -2.9507 -2.7038 -2.7038 -1.3601 -1.3601 -1.3002 -1.3002 -1.2512 -1.2512 -1.1027 -1.1027 -1.0082 -1.0082 -1.0053 -1.0053 4.1399 4.1399 5.9749 5.9749 k = 0.0110 0.0123-0.0058 ( 10869 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6801 -18.6801 -18.5154 -18.5154 -16.5893 -16.5893 -16.5643 -16.5643 -4.9656 -4.9656 -4.7307 -4.7307 -3.7092 -3.7092 -3.4771 -3.4771 -2.9503 -2.9503 -2.7045 -2.7045 -1.3600 -1.3600 -1.3007 -1.3007 -1.2506 -1.2506 -1.1034 -1.1034 -1.0096 -1.0096 -1.0055 -1.0055 4.1418 4.1418 5.9736 5.9736 k = 0.0219 0.0246-0.0116 ( 10862 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6797 -18.6797 -18.5158 -18.5158 -16.5893 -16.5893 -16.5646 -16.5646 -4.9651 -4.9651 -4.7309 -4.7309 -3.7065 -3.7065 -3.4751 -3.4751 -2.9494 -2.9494 -2.7066 -2.7066 -1.3597 -1.3597 -1.3024 -1.3024 -1.2491 -1.2491 -1.1054 -1.1054 -1.0135 -1.0135 -1.0063 -1.0063 4.1474 4.1474 5.9695 5.9695 k = 0.0329 0.0369-0.0174 ( 10850 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6790 -18.6790 -18.5164 -18.5164 -16.5892 -16.5892 -16.5649 -16.5649 -4.9643 -4.9643 -4.7312 -4.7312 -3.7021 -3.7021 -3.4720 -3.4720 -2.9477 -2.9477 -2.7100 -2.7100 -1.3591 -1.3591 -1.3049 -1.3049 -1.2469 -1.2469 -1.1087 -1.1087 -1.0199 -1.0199 -1.0076 -1.0076 4.1567 4.1567 5.9628 5.9628 k = 0.0439 0.0492-0.0232 ( 10850 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6780 -18.6780 -18.5172 -18.5172 -16.5891 -16.5891 -16.5655 -16.5655 -4.9633 -4.9633 -4.7317 -4.7317 -3.6959 -3.6959 -3.4675 -3.4675 -2.9455 -2.9455 -2.7147 -2.7147 -1.3584 -1.3584 -1.3080 -1.3080 -1.2444 -1.2444 -1.1134 -1.1134 -1.0286 -1.0286 -1.0096 -1.0096 4.1696 4.1696 5.9535 5.9535 k = 0.0548 0.0614-0.0290 ( 10861 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6767 -18.6767 -18.5183 -18.5183 -16.5890 -16.5890 -16.5662 -16.5662 -4.9619 -4.9619 -4.7323 -4.7323 -3.6880 -3.6880 -3.4618 -3.4618 -2.9425 -2.9425 -2.7207 -2.7207 -1.3574 -1.3574 -1.3115 -1.3115 -1.2419 -1.2419 -1.1192 -1.1192 -1.0394 -1.0394 -1.0121 -1.0121 4.1861 4.1861 5.9418 5.9418 k = 0.0658 0.0737-0.0347 ( 10852 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6752 -18.6752 -18.5196 -18.5196 -16.5889 -16.5889 -16.5670 -16.5670 -4.9603 -4.9603 -4.7330 -4.7330 -3.6784 -3.6784 -3.4549 -3.4549 -2.9390 -2.9390 -2.7278 -2.7278 -1.3562 -1.3562 -1.3154 -1.3154 -1.2399 -1.2399 -1.1263 -1.1263 -1.0521 -1.0521 -1.0154 -1.0154 4.2061 4.2061 5.9278 5.9278 k = 0.0768 0.0860-0.0405 ( 10852 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6734 -18.6734 -18.5211 -18.5211 -16.5887 -16.5887 -16.5680 -16.5680 -4.9584 -4.9584 -4.7338 -4.7338 -3.6671 -3.6671 -3.4467 -3.4467 -2.9348 -2.9348 -2.7359 -2.7359 -1.3548 -1.3548 -1.3195 -1.3195 -1.2389 -1.2389 -1.1344 -1.1344 -1.0661 -1.0661 -1.0192 -1.0192 4.2294 4.2294 5.9118 5.9118 k = 0.0877 0.0983-0.0463 ( 10854 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6713 -18.6713 -18.5229 -18.5229 -16.5885 -16.5885 -16.5691 -16.5691 -4.9564 -4.9564 -4.7347 -4.7347 -3.6541 -3.6541 -3.4373 -3.4373 -2.9300 -2.9300 -2.7448 -2.7448 -1.3533 -1.3533 -1.3239 -1.3239 -1.2394 -1.2394 -1.1437 -1.1437 -1.0810 -1.0810 -1.0238 -1.0238 4.2560 4.2560 5.8939 5.8939 k = 0.0987 0.1106-0.0521 ( 10844 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6690 -18.6690 -18.5248 -18.5248 -16.5884 -16.5884 -16.5704 -16.5704 -4.9541 -4.9541 -4.7357 -4.7357 -3.6395 -3.6395 -3.4268 -3.4268 -2.9246 -2.9246 -2.7545 -2.7545 -1.3516 -1.3516 -1.3286 -1.3286 -1.2421 -1.2421 -1.1539 -1.1539 -1.0960 -1.0960 -1.0292 -1.0292 4.2856 4.2856 5.8743 5.8743 k = 0.1096 0.1229-0.0579 ( 10851 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6665 -18.6665 -18.5269 -18.5269 -16.5882 -16.5882 -16.5717 -16.5717 -4.9518 -4.9518 -4.7368 -4.7368 -3.6233 -3.6233 -3.4151 -3.4151 -2.9186 -2.9186 -2.7647 -2.7647 -1.3498 -1.3498 -1.3337 -1.3337 -1.2477 -1.2477 -1.1649 -1.1649 -1.1102 -1.1102 -1.0353 -1.0353 4.3182 4.3182 5.8533 5.8533 k = 0.1206 0.1352-0.0637 ( 10849 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6637 -18.6637 -18.5292 -18.5292 -16.5880 -16.5880 -16.5732 -16.5732 -4.9493 -4.9493 -4.7379 -4.7379 -3.6055 -3.6055 -3.4023 -3.4023 -2.9120 -2.9120 -2.7754 -2.7754 -1.3480 -1.3480 -1.3395 -1.3395 -1.2569 -1.2569 -1.1767 -1.1767 -1.1227 -1.1227 -1.0421 -1.0421 4.3535 4.3535 5.8311 5.8311 k = 0.1316 0.1475-0.0695 ( 10850 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6608 -18.6608 -18.5316 -18.5316 -16.5878 -16.5878 -16.5748 -16.5748 -4.9468 -4.9468 -4.7390 -4.7390 -3.5862 -3.5862 -3.3884 -3.3884 -2.9048 -2.9048 -2.7863 -2.7863 -1.3490 -1.3490 -1.3437 -1.3437 -1.2694 -1.2694 -1.1892 -1.1892 -1.1330 -1.1330 -1.0498 -1.0498 4.3914 4.3914 5.8078 5.8078 k = 0.1425 0.1597-0.0753 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6577 -18.6577 -18.5341 -18.5341 -16.5876 -16.5876 -16.5765 -16.5765 -4.9442 -4.9442 -4.7401 -4.7401 -3.5655 -3.5655 -3.3735 -3.3735 -2.8970 -2.8970 -2.7972 -2.7972 -1.3580 -1.3580 -1.3424 -1.3424 -1.2841 -1.2841 -1.2027 -1.2027 -1.1409 -1.1409 -1.0582 -1.0582 4.4317 4.4317 5.7838 5.7838 k = 0.1535 0.1720-0.0811 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6544 -18.6544 -18.5368 -18.5368 -16.5874 -16.5874 -16.5783 -16.5783 -4.9417 -4.9417 -4.7412 -4.7412 -3.5433 -3.5433 -3.3577 -3.3577 -2.8888 -2.8888 -2.8079 -2.8079 -1.3718 -1.3718 -1.3402 -1.3402 -1.2987 -1.2987 -1.2169 -1.2169 -1.1471 -1.1471 -1.0675 -1.0675 4.4741 4.4741 5.7592 5.7592 k = 0.1645 0.1843-0.0869 ( 10853 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6510 -18.6510 -18.5395 -18.5395 -16.5873 -16.5873 -16.5802 -16.5802 -4.9393 -4.9393 -4.7423 -4.7423 -3.5198 -3.5198 -3.3410 -3.3410 -2.8801 -2.8801 -2.8182 -2.8182 -1.3911 -1.3911 -1.3379 -1.3379 -1.3111 -1.3111 -1.2320 -1.2320 -1.1521 -1.1521 -1.0775 -1.0775 4.5186 4.5186 5.7343 5.7343 k = 0.1754 0.1966-0.0927 ( 10860 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6475 -18.6474 -18.5423 -18.5423 -16.5871 -16.5871 -16.5822 -16.5822 -4.9370 -4.9370 -4.7433 -4.7433 -3.4950 -3.4950 -3.3236 -3.3236 -2.8712 -2.8712 -2.8277 -2.8277 -1.4157 -1.4157 -1.3358 -1.3358 -1.3203 -1.3203 -1.2478 -1.2478 -1.1567 -1.1567 -1.0884 -1.0884 4.5648 4.5648 5.7092 5.7092 k = 0.1864 0.2089-0.0985 ( 10858 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6439 -18.6439 -18.5451 -18.5451 -16.5870 -16.5870 -16.5842 -16.5842 -4.9348 -4.9348 -4.7442 -4.7442 -3.4690 -3.4690 -3.3056 -3.3056 -2.8625 -2.8625 -2.8357 -2.8357 -1.4446 -1.4446 -1.3350 -1.3350 -1.3259 -1.3259 -1.2642 -1.2642 -1.1613 -1.1613 -1.1000 -1.1000 4.6126 4.6126 5.6841 5.6841 k = 0.1974 0.2212-0.1042 ( 10862 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6402 -18.6402 -18.5479 -18.5479 -16.5869 -16.5869 -16.5863 -16.5863 -4.9329 -4.9329 -4.7450 -4.7450 -3.4418 -3.4418 -3.2871 -3.2871 -2.8566 -2.8566 -2.8394 -2.8394 -1.4765 -1.4765 -1.3376 -1.3376 -1.3267 -1.3267 -1.2809 -1.2809 -1.1664 -1.1664 -1.1125 -1.1125 4.6618 4.6618 5.6592 5.6592 k = 0.2083 0.2335-0.1100 ( 10853 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6366 -18.6366 -18.5507 -18.5507 -16.5885 -16.5885 -16.5868 -16.5868 -4.9311 -4.9311 -4.7457 -4.7457 -3.4135 -3.4135 -3.2684 -3.2684 -2.8580 -2.8580 -2.8343 -2.8343 -1.5104 -1.5104 -1.3420 -1.3420 -1.3254 -1.3254 -1.2976 -1.2976 -1.1722 -1.1722 -1.1257 -1.1257 4.7120 4.7120 5.6348 5.6348 k = 0.2193 0.2458-0.1158 ( 10852 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6330 -18.6330 -18.5534 -18.5534 -16.5907 -16.5907 -16.5868 -16.5868 -4.9297 -4.9297 -4.7462 -4.7462 -3.3843 -3.3843 -3.2496 -3.2496 -2.8621 -2.8621 -2.8245 -2.8245 -1.5457 -1.5457 -1.3467 -1.3467 -1.3258 -1.3258 -1.3119 -1.3119 -1.1788 -1.1788 -1.1397 -1.1397 4.7630 4.7630 5.6110 5.6110 k = 0.2303 0.2581-0.1216 ( 10845 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6296 -18.6296 -18.5559 -18.5559 -16.5929 -16.5929 -16.5867 -16.5867 -4.9286 -4.9286 -4.7465 -4.7465 -3.3541 -3.3541 -3.2310 -3.2310 -2.8655 -2.8655 -2.8134 -2.8134 -1.5818 -1.5818 -1.3525 -1.3525 -1.3360 -1.3360 -1.3156 -1.3156 -1.1865 -1.1865 -1.1544 -1.1544 4.8145 4.8145 5.5880 5.5880 k = 0.2412 0.2703-0.1274 ( 10844 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6263 -18.6263 -18.5582 -18.5582 -16.5951 -16.5951 -16.5868 -16.5868 -4.9277 -4.9277 -4.7466 -4.7466 -3.3231 -3.3231 -3.2129 -3.2129 -2.8672 -2.8672 -2.8015 -2.8015 -1.6183 -1.6183 -1.3627 -1.3627 -1.3474 -1.3474 -1.3137 -1.3137 -1.1953 -1.1953 -1.1698 -1.1698 4.8663 4.8663 5.5661 5.5661 k = 0.2522 0.2826-0.1332 ( 10842 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6233 -18.6233 -18.5601 -18.5601 -16.5973 -16.5973 -16.5868 -16.5868 -4.9272 -4.9272 -4.7466 -4.7466 -3.2914 -3.2914 -3.1956 -3.1956 -2.8668 -2.8668 -2.7892 -2.7892 -1.6550 -1.6550 -1.3787 -1.3787 -1.3539 -1.3539 -1.3111 -1.3111 -1.2052 -1.2052 -1.1859 -1.1859 4.9178 4.9178 5.5456 5.5456 k = 0.2631 0.2949-0.1390 ( 10844 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6206 -18.6206 -18.5617 -18.5617 -16.5996 -16.5996 -16.5869 -16.5869 -4.9270 -4.9270 -4.7464 -4.7464 -3.2590 -3.2590 -3.1793 -3.1793 -2.8640 -2.8640 -2.7766 -2.7766 -1.6915 -1.6915 -1.3970 -1.3970 -1.3586 -1.3586 -1.3084 -1.3084 -1.2163 -1.2163 -1.2026 -1.2026 4.9686 4.9686 5.5268 5.5268 k = 0.2741 0.3072-0.1448 ( 10848 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6184 -18.6184 -18.5629 -18.5629 -16.6018 -16.6018 -16.5870 -16.5870 -4.9272 -4.9272 -4.7459 -4.7459 -3.2261 -3.2261 -3.1643 -3.1643 -2.8586 -2.8586 -2.7637 -2.7637 -1.7276 -1.7276 -1.4160 -1.4160 -1.3629 -1.3629 -1.3057 -1.3057 -1.2285 -1.2285 -1.2198 -1.2198 5.0180 5.0180 5.5103 5.5103 k = 0.2851 0.3195-0.1506 ( 10851 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6167 -18.6167 -18.5634 -18.5634 -16.6040 -16.6040 -16.5871 -16.5871 -4.9276 -4.9276 -4.7454 -4.7454 -3.1928 -3.1928 -3.1507 -3.1507 -2.8505 -2.8505 -2.7506 -2.7506 -1.7628 -1.7628 -1.4351 -1.4351 -1.3674 -1.3674 -1.3034 -1.3034 -1.2416 -1.2416 -1.2372 -1.2372 5.0653 5.0653 5.4968 5.4968 k = 0.2960 0.3318-0.1564 ( 10851 PWs) bands (ev): -43.4535 -43.4535 -43.4239 -43.4239 -18.6157 -18.6157 -18.5634 -18.5634 -16.6061 -16.6061 -16.5873 -16.5873 -4.9283 -4.9283 -4.7447 -4.7447 -3.1593 -3.1593 -3.1386 -3.1386 -2.8399 -2.8399 -2.7374 -2.7374 -1.7970 -1.7970 -1.4543 -1.4543 -1.3723 -1.3723 -1.3018 -1.3018 -1.2557 -1.2557 -1.2544 -1.2544 5.1092 5.1092 5.4872 5.4872 k = 0.3070 0.3441-0.1622 ( 10849 PWs) bands (ev): -43.4535 -43.4535 -43.4239 -43.4239 -18.6152 -18.6152 -18.5627 -18.5627 -16.6083 -16.6083 -16.5875 -16.5875 -4.9293 -4.9293 -4.7438 -4.7438 -3.1296 -3.1296 -3.1239 -3.1239 -2.8269 -2.8269 -2.7242 -2.7242 -1.8299 -1.8299 -1.4734 -1.4734 -1.3779 -1.3779 -1.3025 -1.3025 -1.2713 -1.2713 -1.2690 -1.2690 5.1483 5.1483 5.4829 5.4829 k = 0.3180 0.3564-0.1680 ( 10839 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6153 -18.6153 -18.5615 -18.5615 -16.6103 -16.6103 -16.5878 -16.5878 -4.9305 -4.9305 -4.7428 -4.7428 -3.1192 -3.1192 -3.0911 -3.0911 -2.8121 -2.8121 -2.7110 -2.7110 -1.8610 -1.8610 -1.4922 -1.4922 -1.3847 -1.3847 -1.3094 -1.3094 -1.2858 -1.2858 -1.2790 -1.2790 5.1806 5.1806 5.4856 5.4856 k = 0.3289 0.3687-0.1737 ( 10837 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6159 -18.6159 -18.5598 -18.5598 -16.6123 -16.6123 -16.5880 -16.5880 -4.9319 -4.9319 -4.7418 -4.7418 -3.1109 -3.1109 -3.0573 -3.0573 -2.7958 -2.7958 -2.6980 -2.6980 -1.8902 -1.8902 -1.5106 -1.5106 -1.3931 -1.3931 -1.3242 -1.3242 -1.2999 -1.2999 -1.2817 -1.2817 5.2048 5.2048 5.4966 5.4966 k = 0.3399 0.3809-0.1795 ( 10835 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6169 -18.6169 -18.5578 -18.5578 -16.6142 -16.6142 -16.5883 -16.5883 -4.9334 -4.9334 -4.7407 -4.7407 -3.1034 -3.1034 -3.0237 -3.0237 -2.7787 -2.7787 -2.6853 -2.6853 -1.9169 -1.9169 -1.5285 -1.5285 -1.4039 -1.4039 -1.3426 -1.3426 -1.3129 -1.3129 -1.2810 -1.2810 5.2202 5.2202 5.5162 5.5162 k = 0.3509 0.3932-0.1853 ( 10823 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6181 -18.6181 -18.5554 -18.5554 -16.6161 -16.6161 -16.5886 -16.5886 -4.9350 -4.9350 -4.7396 -4.7396 -3.0965 -3.0965 -2.9904 -2.9904 -2.7613 -2.7613 -2.6729 -2.6729 -1.9409 -1.9409 -1.5457 -1.5457 -1.4177 -1.4177 -1.3623 -1.3623 -1.3242 -1.3242 -1.2793 -1.2793 5.2279 5.2279 5.5431 5.5431 k = 0.3618 0.4055-0.1911 ( 10820 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6196 -18.6196 -18.5530 -18.5530 -16.6178 -16.6178 -16.5889 -16.5889 -4.9368 -4.9368 -4.7384 -4.7384 -3.0900 -3.0900 -2.9575 -2.9575 -2.7444 -2.7444 -2.6611 -2.6611 -1.9617 -1.9617 -1.5622 -1.5622 -1.4346 -1.4346 -1.3827 -1.3827 -1.3333 -1.3333 -1.2773 -1.2773 5.2298 5.2298 5.5752 5.5752 k = 0.3728 0.4178-0.1969 ( 10832 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6211 -18.6211 -18.5504 -18.5504 -16.6195 -16.6195 -16.5892 -16.5892 -4.9385 -4.9385 -4.7373 -4.7373 -3.0836 -3.0836 -2.9253 -2.9253 -2.7284 -2.7284 -2.6500 -2.6500 -1.9788 -1.9788 -1.5776 -1.5776 -1.4545 -1.4545 -1.4033 -1.4033 -1.3405 -1.3405 -1.2751 -1.2751 5.2280 5.2280 5.6101 5.6101 k = 0.3838 0.4301-0.2027 ( 10834 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6227 -18.6227 -18.5479 -18.5479 -16.6210 -16.6210 -16.5895 -16.5895 -4.9402 -4.9402 -4.7362 -4.7362 -3.0773 -3.0773 -2.8938 -2.8938 -2.7139 -2.7139 -2.6397 -2.6397 -1.9921 -1.9921 -1.5920 -1.5920 -1.4768 -1.4768 -1.4239 -1.4239 -1.3461 -1.3461 -1.2731 -1.2731 5.2238 5.2238 5.6461 5.6461 k = 0.3947 0.4424-0.2085 ( 10820 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6242 -18.6242 -18.5454 -18.5454 -16.6225 -16.6225 -16.5898 -16.5898 -4.9419 -4.9419 -4.7352 -4.7352 -3.0710 -3.0710 -2.8632 -2.8632 -2.7014 -2.7014 -2.6304 -2.6304 -2.0011 -2.0011 -1.6051 -1.6051 -1.5011 -1.5011 -1.4444 -1.4444 -1.3504 -1.3504 -1.2711 -1.2711 5.2185 5.2185 5.6819 5.6819 k = 0.4057 0.4547-0.2143 ( 10832 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6257 -18.6257 -18.5431 -18.5431 -16.6238 -16.6238 -16.5901 -16.5901 -4.9436 -4.9436 -4.7343 -4.7343 -3.0648 -3.0648 -2.8338 -2.8338 -2.6911 -2.6911 -2.6224 -2.6224 -2.0057 -2.0057 -1.6168 -1.6168 -1.5268 -1.5268 -1.4645 -1.4645 -1.3538 -1.3538 -1.2692 -1.2692 5.2126 5.2126 5.7165 5.7165 k = 0.4166 0.4670-0.2201 ( 10836 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6271 -18.6271 -18.5409 -18.5409 -16.6250 -16.6250 -16.5904 -16.5904 -4.9451 -4.9451 -4.7334 -4.7334 -3.0585 -3.0585 -2.8056 -2.8056 -2.6832 -2.6832 -2.6157 -2.6157 -2.0058 -2.0058 -1.6269 -1.6269 -1.5535 -1.5535 -1.4842 -1.4842 -1.3565 -1.3565 -1.2675 -1.2675 5.2068 5.2068 5.7490 5.7490 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6284 -18.6284 -18.5389 -18.5389 -16.6260 -16.6260 -16.5906 -16.5906 -4.9465 -4.9465 -4.7327 -4.7327 -3.0524 -3.0524 -2.7789 -2.7789 -2.6775 -2.6775 -2.6107 -2.6107 -2.0018 -2.0018 -1.6353 -1.6353 -1.5807 -1.5807 -1.5031 -1.5031 -1.3586 -1.3586 -1.2660 -1.2660 5.2012 5.2012 5.7788 5.7788 k = 0.4276 0.4792-0.2259 ( 10834 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6284 -18.6284 -18.5389 -18.5389 -16.6260 -16.6260 -16.5906 -16.5906 -4.9465 -4.9465 -4.7327 -4.7327 -3.0524 -3.0524 -2.7789 -2.7789 -2.6775 -2.6775 -2.6107 -2.6107 -2.0018 -2.0018 -1.6353 -1.6353 -1.5807 -1.5807 -1.5031 -1.5031 -1.3586 -1.3586 -1.2660 -1.2660 5.2012 5.2012 5.7788 5.7788 k = 0.4316 0.4837-0.2096 ( 10840 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6278 -18.6278 -18.5386 -18.5386 -16.6258 -16.6258 -16.5900 -16.5900 -4.9510 -4.9510 -4.7361 -4.7361 -3.0581 -3.0581 -2.7838 -2.7838 -2.6815 -2.6815 -2.6100 -2.6100 -2.0017 -2.0017 -1.6354 -1.6354 -1.5689 -1.5689 -1.4968 -1.4968 -1.3619 -1.3619 -1.2675 -1.2675 5.2078 5.2078 5.7915 5.7915 k = 0.4356 0.4882-0.1934 ( 10840 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6266 -18.6266 -18.5378 -18.5378 -16.6254 -16.6254 -16.5892 -16.5892 -4.9588 -4.9588 -4.7440 -4.7440 -3.0645 -3.0645 -2.7884 -2.7884 -2.6853 -2.6853 -2.6091 -2.6091 -2.0004 -2.0004 -1.6357 -1.6357 -1.5569 -1.5569 -1.4905 -1.4905 -1.3671 -1.3671 -1.2707 -1.2707 5.2211 5.2211 5.8100 5.8100 k = 0.4396 0.4927-0.1771 ( 10846 PWs) bands (ev): -43.4534 -43.4534 -43.4239 -43.4239 -18.6249 -18.6249 -18.5365 -18.5365 -16.6247 -16.6247 -16.5883 -16.5883 -4.9700 -4.9700 -4.7561 -4.7561 -3.0712 -3.0712 -2.7927 -2.7927 -2.6889 -2.6889 -2.6080 -2.6080 -1.9979 -1.9979 -1.6361 -1.6361 -1.5449 -1.5449 -1.4842 -1.4842 -1.3740 -1.3740 -1.2754 -1.2754 5.2408 5.2408 5.8343 5.8343 k = 0.4436 0.4972-0.1608 ( 10854 PWs) bands (ev): -43.4533 -43.4533 -43.4239 -43.4239 -18.6226 -18.6226 -18.5347 -18.5347 -16.6238 -16.6238 -16.5871 -16.5871 -4.9844 -4.9844 -4.7725 -4.7725 -3.0782 -3.0782 -2.7967 -2.7967 -2.6924 -2.6924 -2.6066 -2.6066 -1.9943 -1.9943 -1.6366 -1.6366 -1.5330 -1.5330 -1.4778 -1.4778 -1.3826 -1.3826 -1.2817 -1.2817 5.2668 5.2668 5.8641 5.8641 k = 0.4476 0.5017-0.1446 ( 10854 PWs) bands (ev): -43.4533 -43.4533 -43.4238 -43.4238 -18.6198 -18.6198 -18.5324 -18.5324 -16.6227 -16.6227 -16.5858 -16.5858 -5.0021 -5.0021 -4.7931 -4.7931 -3.0853 -3.0853 -2.8004 -2.8004 -2.6957 -2.6957 -2.6051 -2.6051 -1.9896 -1.9896 -1.6373 -1.6373 -1.5214 -1.5214 -1.4713 -1.4713 -1.3926 -1.3926 -1.2894 -1.2894 5.2991 5.2991 5.8994 5.8994 k = 0.4516 0.5062-0.1283 ( 10850 PWs) bands (ev): -43.4532 -43.4532 -43.4238 -43.4238 -18.6166 -18.6166 -18.5297 -18.5297 -16.6214 -16.6214 -16.5843 -16.5843 -5.0229 -5.0229 -4.8176 -4.8176 -3.0924 -3.0924 -2.8039 -2.8039 -2.6990 -2.6990 -2.6033 -2.6033 -1.9838 -1.9838 -1.6381 -1.6381 -1.5105 -1.5105 -1.4648 -1.4648 -1.4038 -1.4038 -1.2985 -1.2985 5.3374 5.3374 5.9400 5.9400 k = 0.4556 0.5107-0.1121 ( 10854 PWs) bands (ev): -43.4531 -43.4531 -43.4237 -43.4237 -18.6128 -18.6128 -18.5265 -18.5265 -16.6199 -16.6199 -16.5827 -16.5827 -5.0469 -5.0469 -4.8460 -4.8460 -3.0994 -3.0994 -2.8071 -2.8071 -2.7020 -2.7020 -2.6013 -2.6013 -1.9770 -1.9770 -1.6391 -1.6391 -1.5007 -1.5007 -1.4584 -1.4584 -1.4155 -1.4155 -1.3089 -1.3089 5.3816 5.3816 5.9858 5.9858 k = 0.4596 0.5152-0.0958 ( 10853 PWs) bands (ev): -43.4530 -43.4530 -43.4236 -43.4236 -18.6085 -18.6085 -18.5229 -18.5229 -16.6182 -16.6182 -16.5809 -16.5809 -5.0738 -5.0738 -4.8780 -4.8780 -3.1060 -3.1060 -2.8101 -2.8101 -2.7050 -2.7050 -2.5992 -2.5992 -1.9693 -1.9693 -1.6403 -1.6403 -1.4937 -1.4937 -1.4521 -1.4521 -1.4260 -1.4260 -1.3204 -1.3204 5.4313 5.4313 6.0365 6.0365 k = 0.4636 0.5196-0.0795 ( 10853 PWs) bands (ev): -43.4529 -43.4529 -43.4235 -43.4235 -18.6038 -18.6038 -18.5188 -18.5188 -16.6163 -16.6163 -16.5789 -16.5789 -5.1037 -5.1037 -4.9135 -4.9135 -3.1122 -3.1122 -2.8130 -2.8130 -2.7077 -2.7077 -2.5969 -2.5969 -1.9607 -1.9607 -1.6416 -1.6416 -1.4922 -1.4922 -1.4466 -1.4466 -1.4319 -1.4319 -1.3330 -1.3330 5.4864 5.4864 6.0918 6.0918 k = 0.4677 0.5241-0.0633 ( 10849 PWs) bands (ev): -43.4528 -43.4528 -43.4234 -43.4234 -18.5986 -18.5986 -18.5144 -18.5144 -16.6142 -16.6142 -16.5767 -16.5767 -5.1363 -5.1363 -4.9522 -4.9522 -3.1178 -3.1178 -2.8157 -2.8157 -2.7103 -2.7103 -2.5944 -2.5944 -1.9513 -1.9513 -1.6432 -1.6432 -1.4994 -1.4994 -1.4416 -1.4416 -1.4303 -1.4303 -1.3465 -1.3465 5.5465 5.5465 6.1515 6.1515 k = 0.4717 0.5286-0.0470 ( 10851 PWs) bands (ev): -43.4527 -43.4527 -43.4233 -43.4233 -18.5929 -18.5929 -18.5095 -18.5095 -16.6119 -16.6119 -16.5745 -16.5745 -5.1715 -5.1715 -4.9938 -4.9938 -3.1229 -3.1229 -2.8183 -2.8183 -2.7127 -2.7127 -2.5918 -2.5918 -1.9413 -1.9413 -1.6450 -1.6450 -1.5139 -1.5139 -1.4358 -1.4358 -1.4240 -1.4240 -1.3604 -1.3604 5.6114 5.6114 6.2153 6.2153 k = 0.4757 0.5331-0.0308 ( 10849 PWs) bands (ev): -43.4525 -43.4525 -43.4231 -43.4231 -18.5869 -18.5869 -18.5042 -18.5042 -16.6094 -16.6094 -16.5721 -16.5721 -5.2093 -5.2093 -5.0381 -5.0381 -3.1272 -3.1272 -2.8209 -2.8209 -2.7149 -2.7149 -2.5891 -2.5891 -1.9305 -1.9305 -1.6470 -1.6470 -1.5328 -1.5328 -1.4297 -1.4297 -1.4158 -1.4158 -1.3743 -1.3743 5.6807 5.6807 6.2830 6.2830 k = 0.4797 0.5376-0.0145 ( 10849 PWs) bands (ev): -43.4524 -43.4524 -43.4230 -43.4230 -18.5804 -18.5804 -18.4986 -18.4986 -16.6068 -16.6068 -16.5695 -16.5695 -5.2493 -5.2493 -5.0849 -5.0849 -3.1308 -3.1308 -2.8236 -2.8236 -2.7169 -2.7169 -2.5863 -2.5863 -1.9192 -1.9192 -1.6494 -1.6494 -1.5544 -1.5544 -1.4252 -1.4252 -1.4069 -1.4069 -1.3865 -1.3865 5.7540 5.7540 6.3541 6.3541 k = 0.4837 0.5421 0.0018 ( 10848 PWs) bands (ev): -43.4523 -43.4523 -43.4229 -43.4229 -18.5736 -18.5736 -18.4927 -18.4927 -16.6040 -16.6040 -16.5668 -16.5668 -5.2914 -5.2914 -5.1338 -5.1338 -3.1337 -3.1337 -2.8262 -2.8262 -2.7187 -2.7187 -2.5834 -2.5834 -1.9074 -1.9074 -1.6522 -1.6522 -1.5776 -1.5776 -1.4266 -1.4266 -1.3989 -1.3989 -1.3917 -1.3917 5.8311 5.8311 6.4284 6.4284 k = 0.4877 0.5466 0.0180 ( 10852 PWs) bands (ev): -43.4521 -43.4521 -43.4227 -43.4227 -18.5664 -18.5664 -18.4864 -18.4864 -16.6011 -16.6011 -16.5641 -16.5641 -5.3355 -5.3355 -5.1845 -5.1845 -3.1357 -3.1357 -2.8290 -2.8290 -2.7203 -2.7203 -2.5804 -2.5804 -1.8951 -1.8951 -1.6555 -1.6555 -1.6021 -1.6021 -1.4363 -1.4363 -1.3945 -1.3945 -1.3849 -1.3849 5.9115 5.9115 6.5056 6.5056 k = 0.4917 0.5511 0.0343 ( 10854 PWs) bands (ev): -43.4519 -43.4519 -43.4226 -43.4226 -18.5588 -18.5588 -18.4798 -18.4798 -16.5980 -16.5980 -16.5612 -16.5612 -5.3813 -5.3813 -5.2369 -5.2369 -3.1370 -3.1370 -2.8318 -2.8318 -2.7217 -2.7217 -2.5775 -2.5775 -1.8825 -1.8825 -1.6598 -1.6598 -1.6272 -1.6272 -1.4504 -1.4504 -1.3886 -1.3886 -1.3750 -1.3750 5.9948 5.9948 6.5853 6.5853 k = 0.4957 0.5555 0.0505 ( 10850 PWs) bands (ev): -43.4518 -43.4518 -43.4224 -43.4224 -18.5510 -18.5510 -18.4730 -18.4730 -16.5948 -16.5948 -16.5582 -16.5582 -5.4286 -5.4286 -5.2906 -5.2906 -3.1375 -3.1375 -2.8349 -2.8349 -2.7230 -2.7230 -2.5745 -2.5745 -1.8696 -1.8696 -1.6675 -1.6675 -1.6502 -1.6502 -1.4656 -1.4656 -1.3816 -1.3816 -1.3648 -1.3648 6.0807 6.0807 6.6671 6.6671 k = 0.4997 0.5600 0.0668 ( 10854 PWs) bands (ev): -43.4516 -43.4516 -43.4222 -43.4222 -18.5429 -18.5429 -18.4659 -18.4659 -16.5915 -16.5915 -16.5551 -16.5551 -5.4772 -5.4772 -5.3453 -5.3453 -3.1372 -3.1372 -2.8382 -2.8382 -2.7240 -2.7240 -2.5716 -2.5716 -1.8566 -1.8566 -1.6870 -1.6870 -1.6626 -1.6626 -1.4810 -1.4810 -1.3739 -1.3739 -1.3547 -1.3547 6.1687 6.1687 6.7508 6.7508 k = 0.5037 0.5645 0.0831 ( 10852 PWs) bands (ev): -43.4514 -43.4514 -43.4221 -43.4221 -18.5346 -18.5346 -18.4586 -18.4586 -16.5881 -16.5881 -16.5520 -16.5520 -5.5268 -5.5268 -5.4008 -5.4008 -3.1363 -3.1363 -2.8418 -2.8418 -2.7250 -2.7250 -2.5687 -2.5687 -1.8437 -1.8437 -1.7130 -1.7130 -1.6694 -1.6694 -1.4960 -1.4960 -1.3660 -1.3660 -1.3445 -1.3445 6.2584 6.2584 6.8359 6.8359 k = 0.5077 0.5690 0.0993 ( 10848 PWs) bands (ev): -43.4512 -43.4512 -43.4219 -43.4219 -18.5260 -18.5260 -18.4512 -18.4512 -16.5847 -16.5847 -16.5488 -16.5488 -5.5774 -5.5774 -5.4569 -5.4569 -3.1347 -3.1347 -2.8457 -2.8457 -2.7258 -2.7258 -2.5658 -2.5658 -1.8318 -1.8318 -1.7395 -1.7395 -1.6759 -1.6759 -1.5102 -1.5102 -1.3578 -1.3578 -1.3346 -1.3346 6.3493 6.3493 6.9222 6.9222 k = 0.5117 0.5735 0.1156 ( 10858 PWs) bands (ev): -43.4510 -43.4510 -43.4217 -43.4217 -18.5172 -18.5172 -18.4435 -18.4435 -16.5811 -16.5811 -16.5455 -16.5455 -5.6285 -5.6285 -5.5132 -5.5132 -3.1324 -3.1324 -2.8500 -2.8500 -2.7265 -2.7265 -2.5631 -2.5631 -1.8233 -1.8233 -1.7629 -1.7629 -1.6832 -1.6832 -1.5233 -1.5233 -1.3494 -1.3494 -1.3247 -1.3247 6.4410 6.4410 7.0094 7.0094 k = 0.5157 0.5780 0.1318 ( 10852 PWs) bands (ev): -43.4509 -43.4509 -43.4215 -43.4215 -18.5083 -18.5083 -18.4358 -18.4358 -16.5775 -16.5775 -16.5422 -16.5422 -5.6801 -5.6801 -5.5695 -5.5695 -3.1296 -3.1296 -2.8547 -2.8547 -2.7271 -2.7271 -2.5604 -2.5604 -1.8266 -1.8266 -1.7748 -1.7748 -1.6914 -1.6914 -1.5350 -1.5350 -1.3409 -1.3409 -1.3150 -1.3150 6.5328 6.5328 7.0970 7.0970 k = 0.5197 0.5825 0.1481 ( 10844 PWs) bands (ev): -43.4507 -43.4507 -43.4214 -43.4214 -18.4993 -18.4993 -18.4279 -18.4279 -16.5738 -16.5738 -16.5389 -16.5389 -5.7319 -5.7319 -5.6256 -5.6256 -3.1264 -3.1264 -2.8598 -2.8598 -2.7277 -2.7277 -2.5579 -2.5579 -1.8463 -1.8463 -1.7702 -1.7702 -1.7006 -1.7006 -1.5452 -1.5452 -1.3322 -1.3322 -1.3054 -1.3054 6.6244 6.6244 7.1849 7.1849 k = 0.5237 0.5870 0.1643 ( 10847 PWs) bands (ev): -43.4505 -43.4505 -43.4212 -43.4212 -18.4902 -18.4902 -18.4200 -18.4200 -16.5700 -16.5700 -16.5355 -16.5355 -5.7838 -5.7838 -5.6813 -5.6813 -3.1227 -3.1227 -2.8654 -2.8654 -2.7282 -2.7282 -2.5555 -2.5555 -1.8729 -1.8729 -1.7588 -1.7588 -1.7108 -1.7108 -1.5537 -1.5537 -1.3235 -1.3235 -1.2960 -1.2960 6.7152 6.7152 7.2727 7.2727 k = 0.5277 0.5914 0.1806 ( 10853 PWs) bands (ev): -43.4503 -43.4503 -43.4210 -43.4210 -18.4811 -18.4811 -18.4120 -18.4120 -16.5663 -16.5663 -16.5322 -16.5322 -5.8354 -5.8354 -5.7363 -5.7363 -3.1186 -3.1186 -2.8714 -2.8714 -2.7287 -2.7287 -2.5533 -2.5533 -1.9014 -1.9014 -1.7457 -1.7457 -1.7216 -1.7216 -1.5605 -1.5605 -1.3146 -1.3146 -1.2867 -1.2867 6.8044 6.8044 7.3602 7.3602 k = 0.5317 0.5959 0.1969 ( 10857 PWs) bands (ev): -43.4501 -43.4501 -43.4208 -43.4208 -18.4719 -18.4719 -18.4041 -18.4041 -16.5625 -16.5625 -16.5288 -16.5288 -5.8866 -5.8866 -5.7906 -5.7906 -3.1143 -3.1143 -2.8780 -2.8780 -2.7291 -2.7291 -2.5512 -2.5512 -1.9305 -1.9305 -1.7383 -1.7383 -1.7267 -1.7267 -1.5658 -1.5658 -1.3057 -1.3057 -1.2775 -1.2775 6.8915 6.8915 7.4470 7.4470 k = 0.5357 0.6004 0.2131 ( 10862 PWs) bands (ev): -43.4499 -43.4499 -43.4206 -43.4206 -18.4628 -18.4628 -18.3961 -18.3961 -16.5588 -16.5588 -16.5255 -16.5255 -5.9371 -5.9371 -5.8438 -5.8438 -3.1097 -3.1097 -2.8850 -2.8850 -2.7296 -2.7296 -2.5493 -2.5493 -1.9595 -1.9595 -1.7489 -1.7489 -1.7141 -1.7141 -1.5695 -1.5695 -1.2968 -1.2968 -1.2685 -1.2685 6.9758 6.9758 7.5330 7.5330 k = 0.5397 0.6049 0.2294 ( 10862 PWs) bands (ev): -43.4497 -43.4497 -43.4205 -43.4205 -18.4538 -18.4538 -18.3883 -18.3883 -16.5550 -16.5550 -16.5221 -16.5221 -5.9869 -5.9869 -5.8958 -5.8958 -3.1051 -3.1051 -2.8925 -2.8925 -2.7302 -2.7302 -2.5476 -2.5476 -1.9883 -1.9883 -1.7621 -1.7621 -1.6991 -1.6991 -1.5718 -1.5718 -1.2878 -1.2878 -1.2597 -1.2597 7.0565 7.0565 7.6178 7.6178 k = 0.5437 0.6094 0.2456 ( 10866 PWs) bands (ev): -43.4495 -43.4495 -43.4203 -43.4203 -18.4448 -18.4448 -18.3805 -18.3805 -16.5513 -16.5513 -16.5189 -16.5189 -6.0357 -6.0357 -5.9465 -5.9465 -3.1003 -3.1003 -2.9004 -2.9004 -2.7309 -2.7309 -2.5461 -2.5461 -2.0167 -2.0167 -1.7758 -1.7758 -1.6839 -1.6839 -1.5729 -1.5729 -1.2788 -1.2788 -1.2509 -1.2509 7.1327 7.1327 7.7014 7.7014 k = 0.5477 0.6139 0.2619 ( 10874 PWs) bands (ev): -43.4494 -43.4494 -43.4201 -43.4201 -18.4360 -18.4360 -18.3728 -18.3728 -16.5476 -16.5476 -16.5156 -16.5156 -6.0833 -6.0833 -5.9957 -5.9957 -3.0955 -3.0955 -2.9088 -2.9088 -2.7316 -2.7316 -2.5448 -2.5448 -2.0443 -2.0443 -1.7899 -1.7899 -1.6685 -1.6685 -1.5729 -1.5729 -1.2698 -1.2698 -1.2423 -1.2423 7.2037 7.2037 7.7835 7.7835 k = 0.5517 0.6184 0.2782 ( 10870 PWs) bands (ev): -43.4492 -43.4492 -43.4199 -43.4199 -18.4274 -18.4274 -18.3653 -18.3653 -16.5440 -16.5440 -16.5125 -16.5125 -6.1295 -6.1295 -6.0433 -6.0433 -3.0909 -3.0909 -2.9176 -2.9176 -2.7326 -2.7326 -2.5437 -2.5437 -2.0712 -2.0712 -1.8041 -1.8041 -1.6531 -1.6531 -1.5717 -1.5717 -1.2607 -1.2607 -1.2339 -1.2339 7.2687 7.2687 7.8640 7.8640 k = 0.5557 0.6229 0.2944 ( 10865 PWs) bands (ev): -43.4490 -43.4490 -43.4198 -43.4198 -18.4190 -18.4190 -18.3580 -18.3580 -16.5404 -16.5404 -16.5094 -16.5094 -6.1742 -6.1742 -6.0890 -6.0890 -3.0863 -3.0863 -2.9267 -2.9267 -2.7337 -2.7337 -2.5429 -2.5429 -2.0972 -2.0972 -1.8183 -1.8183 -1.6378 -1.6378 -1.5696 -1.5696 -1.2518 -1.2518 -1.2255 -1.2255 7.3268 7.3268 7.9427 7.9427 k = 0.5597 0.6273 0.3107 ( 10865 PWs) bands (ev): -43.4488 -43.4488 -43.4196 -43.4196 -18.4109 -18.4109 -18.3509 -18.3509 -16.5370 -16.5370 -16.5064 -16.5064 -6.2172 -6.2172 -6.1329 -6.1329 -3.0820 -3.0820 -2.9362 -2.9362 -2.7351 -2.7351 -2.5423 -2.5423 -2.1221 -2.1221 -1.8325 -1.8325 -1.6226 -1.6226 -1.5665 -1.5665 -1.2428 -1.2428 -1.2173 -1.2173 7.3775 7.3775 8.0195 8.0195 k = 0.5638 0.6318 0.3269 ( 10869 PWs) bands (ev): -43.4487 -43.4487 -43.4195 -43.4195 -18.4031 -18.4031 -18.3441 -18.3441 -16.5336 -16.5336 -16.5035 -16.5035 -6.2584 -6.2584 -6.1748 -6.1748 -3.0779 -3.0779 -2.9459 -2.9459 -2.7368 -2.7368 -2.5419 -2.5419 -2.1458 -2.1458 -1.8467 -1.8467 -1.6077 -1.6077 -1.5624 -1.5624 -1.2339 -1.2339 -1.2093 -1.2093 7.4205 7.4205 8.0944 8.0944 k = 0.5678 0.6363 0.3432 ( 10860 PWs) bands (ev): -43.4485 -43.4485 -43.4193 -43.4193 -18.3956 -18.3956 -18.3375 -18.3375 -16.5303 -16.5303 -16.5007 -16.5007 -6.2976 -6.2976 -6.2146 -6.2146 -3.0741 -3.0741 -2.9558 -2.9558 -2.7388 -2.7388 -2.5417 -2.5417 -2.1681 -2.1681 -1.8607 -1.8607 -1.5931 -1.5931 -1.5572 -1.5572 -1.2251 -1.2251 -1.2014 -1.2014 7.4557 7.4557 8.1672 8.1672 k = 0.5718 0.6408 0.3595 ( 10854 PWs) bands (ev): -43.4484 -43.4484 -43.4192 -43.4192 -18.3884 -18.3884 -18.3312 -18.3312 -16.5271 -16.5271 -16.4980 -16.4980 -6.3347 -6.3347 -6.2522 -6.2522 -3.0707 -3.0707 -2.9658 -2.9658 -2.7412 -2.7412 -2.5418 -2.5418 -2.1891 -2.1891 -1.8746 -1.8746 -1.5792 -1.5792 -1.5509 -1.5509 -1.2164 -1.2164 -1.1936 -1.1936 7.4835 7.4835 8.2380 8.2380 k = 0.5758 0.6453 0.3757 ( 10860 PWs) bands (ev): -43.4482 -43.4482 -43.4190 -43.4190 -18.3817 -18.3817 -18.3252 -18.3252 -16.5241 -16.5241 -16.4955 -16.4955 -6.3696 -6.3696 -6.2874 -6.2874 -3.0677 -3.0677 -2.9760 -2.9760 -2.7440 -2.7440 -2.5422 -2.5422 -2.2085 -2.2085 -1.8883 -1.8883 -1.5663 -1.5663 -1.5431 -1.5431 -1.2078 -1.2078 -1.1860 -1.1860 7.5045 7.5045 8.3068 8.3068 k = 0.5798 0.6498 0.3920 ( 10863 PWs) bands (ev): -43.4481 -43.4481 -43.4189 -43.4189 -18.3754 -18.3754 -18.3196 -18.3196 -16.5212 -16.5212 -16.4931 -16.4931 -6.4020 -6.4020 -6.3203 -6.3203 -3.0652 -3.0652 -2.9861 -2.9861 -2.7472 -2.7472 -2.5429 -2.5429 -2.2263 -2.2263 -1.9018 -1.9018 -1.5547 -1.5547 -1.5335 -1.5335 -1.1993 -1.1993 -1.1785 -1.1785 7.5195 7.5195 8.3737 8.3737 k = 0.5838 0.6543 0.4082 ( 10861 PWs) bands (ev): -43.4480 -43.4480 -43.4188 -43.4188 -18.3696 -18.3696 -18.3143 -18.3143 -16.5184 -16.5184 -16.4908 -16.4908 -6.4321 -6.4321 -6.3507 -6.3507 -3.0633 -3.0633 -2.9962 -2.9962 -2.7509 -2.7509 -2.5438 -2.5438 -2.2423 -2.2423 -1.9151 -1.9151 -1.5445 -1.5445 -1.5221 -1.5221 -1.1910 -1.1910 -1.1712 -1.1712 7.5295 7.5295 8.4386 8.4386 k = 0.5878 0.6588 0.4245 ( 10857 PWs) bands (ev): -43.4479 -43.4479 -43.4187 -43.4187 -18.3643 -18.3643 -18.3095 -18.3095 -16.5158 -16.5158 -16.4887 -16.4887 -6.4595 -6.4595 -6.3785 -6.3785 -3.0620 -3.0620 -3.0063 -3.0063 -2.7550 -2.7550 -2.5450 -2.5450 -2.2566 -2.2566 -1.9281 -1.9281 -1.5352 -1.5352 -1.5096 -1.5096 -1.1828 -1.1828 -1.1640 -1.1640 7.5352 7.5352 8.5016 8.5016 k = 0.5918 0.6632 0.4407 ( 10849 PWs) bands (ev): -43.4478 -43.4478 -43.4186 -43.4186 -18.3595 -18.3595 -18.3050 -18.3050 -16.5134 -16.5134 -16.4868 -16.4868 -6.4844 -6.4844 -6.4037 -6.4037 -3.0613 -3.0613 -3.0162 -3.0162 -2.7596 -2.7596 -2.5465 -2.5465 -2.2691 -2.2691 -1.9409 -1.9409 -1.5262 -1.5262 -1.4967 -1.4967 -1.1747 -1.1747 -1.1570 -1.1570 7.5376 7.5376 8.5627 8.5627 k = 0.5958 0.6677 0.4570 ( 10853 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3553 -18.3553 -18.3010 -18.3010 -16.5111 -16.5111 -16.4850 -16.4850 -6.5065 -6.5065 -6.4263 -6.4263 -3.0614 -3.0614 -3.0259 -3.0259 -2.7645 -2.7645 -2.5483 -2.5483 -2.2797 -2.2797 -1.9535 -1.9535 -1.5171 -1.5171 -1.4835 -1.4835 -1.1669 -1.1669 -1.1502 -1.1502 7.5373 7.5373 8.6218 8.6218 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3516 -18.3516 -18.2974 -18.2974 -16.5090 -16.5090 -16.4834 -16.4834 -6.5257 -6.5257 -6.4461 -6.4461 -3.0622 -3.0622 -3.0354 -3.0354 -2.7698 -2.7698 -2.5504 -2.5504 -2.2884 -2.2884 -1.9656 -1.9656 -1.5079 -1.5079 -1.4705 -1.4705 -1.1592 -1.1592 -1.1436 -1.1436 7.5350 7.5350 8.6788 8.6788 k = 0.5998 0.6722 0.4733 ( 10840 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3516 -18.3516 -18.2974 -18.2974 -16.5090 -16.5090 -16.4834 -16.4834 -6.5257 -6.5257 -6.4461 -6.4461 -3.0622 -3.0622 -3.0354 -3.0354 -2.7698 -2.7698 -2.5504 -2.5504 -2.2884 -2.2884 -1.9656 -1.9656 -1.5079 -1.5079 -1.4705 -1.4705 -1.1592 -1.1592 -1.1436 -1.1436 7.5350 7.5350 8.6788 8.6789 k = 0.5927 0.6642 0.4857 ( 10849 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3490 -18.3490 -18.2978 -18.2978 -16.5082 -16.5082 -16.4813 -16.4813 -6.5328 -6.5328 -6.4572 -6.4572 -3.0626 -3.0626 -3.0485 -3.0485 -2.7829 -2.7829 -2.5575 -2.5575 -2.2951 -2.2951 -1.9675 -1.9675 -1.4957 -1.4957 -1.4545 -1.4545 -1.1461 -1.1461 -1.1302 -1.1302 7.5270 7.5270 8.6892 8.6892 k = 0.5855 0.6562 0.4981 ( 10847 PWs) bands (ev): -43.4475 -43.4475 -43.4184 -43.4184 -18.3464 -18.3464 -18.2983 -18.2983 -16.5075 -16.5075 -16.4794 -16.4794 -6.5390 -6.5390 -6.4678 -6.4678 -3.0645 -3.0645 -3.0588 -3.0588 -2.7958 -2.7958 -2.5644 -2.5644 -2.3014 -2.3014 -1.9693 -1.9693 -1.4843 -1.4843 -1.4391 -1.4391 -1.1338 -1.1338 -1.1179 -1.1179 7.5185 7.5185 8.6972 8.6972 k = 0.5784 0.6483 0.5105 ( 10861 PWs) bands (ev): -43.4475 -43.4475 -43.4183 -43.4183 -18.3439 -18.3439 -18.2990 -18.2990 -16.5068 -16.5068 -16.4776 -16.4776 -6.5445 -6.5445 -6.4780 -6.4780 -3.0741 -3.0741 -3.0601 -3.0601 -2.8084 -2.8084 -2.5709 -2.5709 -2.3071 -2.3071 -1.9708 -1.9708 -1.4736 -1.4736 -1.4243 -1.4243 -1.1224 -1.1224 -1.1065 -1.1065 7.5098 7.5098 8.7044 8.7044 k = 0.5713 0.6403 0.5230 ( 10867 PWs) bands (ev): -43.4475 -43.4475 -43.4183 -43.4183 -18.3414 -18.3414 -18.2998 -18.2998 -16.5061 -16.5061 -16.4759 -16.4759 -6.5491 -6.5491 -6.4876 -6.4876 -3.0847 -3.0847 -3.0590 -3.0590 -2.8206 -2.8206 -2.5770 -2.5770 -2.3124 -2.3124 -1.9722 -1.9722 -1.4639 -1.4639 -1.4103 -1.4103 -1.1118 -1.1118 -1.0963 -1.0963 7.5010 7.5010 8.7112 8.7112 k = 0.5642 0.6323 0.5354 ( 10869 PWs) bands (ev): -43.4475 -43.4475 -43.4183 -43.4183 -18.3389 -18.3389 -18.3007 -18.3007 -16.5055 -16.5055 -16.4743 -16.4743 -6.5530 -6.5530 -6.4967 -6.4967 -3.0944 -3.0944 -3.0573 -3.0573 -2.8323 -2.8323 -2.5827 -2.5827 -2.3171 -2.3171 -1.9735 -1.9735 -1.4550 -1.4550 -1.3971 -1.3971 -1.1020 -1.1020 -1.0871 -1.0871 7.4924 7.4924 8.7178 8.7178 k = 0.5570 0.6243 0.5478 ( 10856 PWs) bands (ev): -43.4474 -43.4474 -43.4183 -43.4183 -18.3366 -18.3366 -18.3017 -18.3017 -16.5050 -16.5050 -16.4729 -16.4729 -6.5560 -6.5560 -6.5053 -6.5053 -3.1032 -3.1032 -3.0553 -3.0553 -2.8434 -2.8434 -2.5878 -2.5878 -2.3213 -2.3213 -1.9746 -1.9746 -1.4470 -1.4470 -1.3850 -1.3850 -1.0933 -1.0933 -1.0789 -1.0789 7.4842 7.4842 8.7242 8.7242 k = 0.5499 0.6163 0.5602 ( 10862 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3343 -18.3343 -18.3027 -18.3027 -16.5045 -16.5045 -16.4716 -16.4716 -6.5583 -6.5583 -6.5134 -6.5134 -3.1111 -3.1111 -3.0530 -3.0530 -2.8537 -2.8537 -2.5924 -2.5924 -2.3250 -2.3250 -1.9755 -1.9755 -1.4399 -1.4399 -1.3740 -1.3740 -1.0854 -1.0854 -1.0718 -1.0718 7.4766 7.4766 8.7303 8.7303 k = 0.5428 0.6083 0.5727 ( 10868 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3322 -18.3322 -18.3039 -18.3039 -16.5041 -16.5041 -16.4705 -16.4705 -6.5597 -6.5597 -6.5209 -6.5209 -3.1180 -3.1180 -3.0505 -3.0505 -2.8632 -2.8632 -2.5965 -2.5965 -2.3282 -2.3282 -1.9763 -1.9763 -1.4337 -1.4337 -1.3643 -1.3643 -1.0786 -1.0786 -1.0656 -1.0656 7.4696 7.4696 8.7358 8.7359 k = 0.5356 0.6003 0.5851 ( 10865 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3301 -18.3301 -18.3050 -18.3050 -16.5037 -16.5037 -16.4696 -16.4696 -6.5605 -6.5605 -6.5278 -6.5278 -3.1238 -3.1238 -3.0480 -3.0480 -2.8717 -2.8717 -2.5999 -2.5999 -2.3310 -2.3310 -1.9770 -1.9770 -1.4285 -1.4285 -1.3558 -1.3558 -1.0728 -1.0728 -1.0605 -1.0605 7.4636 7.4636 8.7408 8.7409 k = 0.5285 0.5923 0.5975 ( 10868 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3283 -18.3283 -18.3062 -18.3062 -16.5034 -16.5034 -16.4688 -16.4688 -6.5604 -6.5604 -6.5340 -6.5340 -3.1286 -3.1286 -3.0456 -3.0456 -2.8790 -2.8790 -2.6028 -2.6028 -2.3332 -2.3332 -1.9775 -1.9775 -1.4241 -1.4241 -1.3488 -1.3488 -1.0680 -1.0680 -1.0563 -1.0563 7.4584 7.4584 8.7448 8.7451 k = 0.5214 0.5843 0.6099 ( 10870 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3267 -18.3267 -18.3073 -18.3073 -16.5032 -16.5032 -16.4682 -16.4682 -6.5596 -6.5596 -6.5397 -6.5397 -3.1323 -3.1323 -3.0435 -3.0435 -2.8850 -2.8850 -2.6051 -2.6051 -2.3349 -2.3349 -1.9779 -1.9779 -1.4208 -1.4208 -1.3432 -1.3432 -1.0643 -1.0643 -1.0531 -1.0531 7.4543 7.4543 8.7444 8.7462 k = 0.5143 0.5764 0.6223 ( 10866 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3254 -18.3254 -18.3082 -18.3082 -16.5030 -16.5030 -16.4677 -16.4677 -6.5581 -6.5581 -6.5446 -6.5446 -3.1350 -3.1350 -3.0418 -3.0418 -2.8894 -2.8894 -2.6067 -2.6067 -2.3362 -2.3362 -1.9782 -1.9782 -1.4184 -1.4184 -1.3392 -1.3392 -1.0616 -1.0616 -1.0508 -1.0508 7.4514 7.4514 8.7413 8.7494 k = 0.5071 0.5684 0.6348 ( 10874 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3245 -18.3245 -18.3088 -18.3088 -16.5029 -16.5029 -16.4675 -16.4675 -6.5560 -6.5560 -6.5488 -6.5488 -3.1366 -3.1366 -3.0407 -3.0407 -2.8921 -2.8921 -2.6077 -2.6077 -2.3369 -2.3369 -1.9784 -1.9784 -1.4170 -1.4170 -1.3368 -1.3368 -1.0600 -1.0600 -1.0494 -1.0494 7.4496 7.4496 8.7393 8.7483 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3242 -18.3242 -18.3090 -18.3090 -16.5029 -16.5029 -16.4674 -16.4674 -6.5541 -6.5541 -6.5515 -6.5515 -3.1371 -3.1371 -3.0404 -3.0404 -2.8931 -2.8931 -2.6080 -2.6080 -2.3372 -2.3372 -1.9785 -1.9785 -1.4165 -1.4165 -1.3360 -1.3360 -1.0595 -1.0595 -1.0490 -1.0490 7.4490 7.4490 8.7386 8.7420 k = 0.5000 0.5604 0.6472 ( 10886 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3242 -18.3242 -18.3090 -18.3090 -16.5029 -16.5029 -16.4674 -16.4674 -6.5541 -6.5541 -6.5515 -6.5515 -3.1371 -3.1371 -3.0404 -3.0404 -2.8931 -2.8931 -2.6080 -2.6080 -2.3372 -2.3372 -1.9785 -1.9785 -1.4165 -1.4165 -1.3360 -1.3360 -1.0595 -1.0595 -1.0490 -1.0490 7.4490 7.4490 8.7386 8.7388 k = 0.5128 0.5490 0.6472 ( 10872 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3242 -18.3242 -18.3090 -18.3090 -16.5029 -16.5029 -16.4674 -16.4674 -6.5540 -6.5540 -6.5514 -6.5514 -3.1369 -3.1369 -3.0398 -3.0398 -2.8926 -2.8926 -2.6079 -2.6079 -2.3371 -2.3371 -1.9787 -1.9787 -1.4171 -1.4171 -1.3363 -1.3363 -1.0599 -1.0599 -1.0496 -1.0496 7.4499 7.4499 8.7379 8.7381 k = 0.5256 0.5375 0.6472 ( 10870 PWs) bands (ev): -43.4473 -43.4473 -43.4182 -43.4182 -18.3243 -18.3243 -18.3088 -18.3088 -16.5031 -16.5031 -16.4675 -16.4675 -6.5537 -6.5537 -6.5511 -6.5511 -3.1363 -3.1363 -3.0383 -3.0383 -2.8914 -2.8914 -2.6075 -2.6075 -2.3371 -2.3371 -1.9794 -1.9794 -1.4191 -1.4191 -1.3373 -1.3373 -1.0611 -1.0611 -1.0515 -1.0515 7.4527 7.4527 8.7356 8.7364 k = 0.5384 0.5261 0.6472 ( 10878 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3243 -18.3243 -18.3085 -18.3085 -16.5033 -16.5033 -16.4676 -16.4676 -6.5532 -6.5532 -6.5507 -6.5507 -3.1352 -3.1352 -3.0357 -3.0357 -2.8892 -2.8892 -2.6069 -2.6069 -2.3370 -2.3370 -1.9807 -1.9807 -1.4223 -1.4223 -1.3388 -1.3388 -1.0632 -1.0632 -1.0545 -1.0545 7.4572 7.4572 8.7322 8.7322 k = 0.5512 0.5147 0.6472 ( 10872 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3244 -18.3244 -18.3081 -18.3081 -16.5037 -16.5037 -16.4678 -16.4678 -6.5525 -6.5525 -6.5501 -6.5501 -3.1337 -3.1337 -3.0320 -3.0320 -2.8862 -2.8862 -2.6061 -2.6061 -2.3369 -2.3369 -1.9824 -1.9824 -1.4269 -1.4269 -1.3410 -1.3410 -1.0662 -1.0662 -1.0588 -1.0588 7.4634 7.4634 8.7279 8.7279 k = 0.5640 0.5033 0.6472 ( 10864 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3245 -18.3245 -18.3076 -18.3076 -16.5041 -16.5041 -16.4680 -16.4680 -6.5516 -6.5516 -6.5494 -6.5494 -3.1317 -3.1317 -3.0273 -3.0273 -2.8824 -2.8824 -2.6050 -2.6050 -2.3368 -2.3368 -1.9847 -1.9847 -1.4326 -1.4326 -1.3437 -1.3437 -1.0703 -1.0703 -1.0640 -1.0640 7.4713 7.4713 8.7232 8.7232 k = 0.5768 0.4919 0.6472 ( 10864 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3247 -18.3247 -18.3070 -18.3070 -16.5046 -16.5046 -16.4683 -16.4683 -6.5505 -6.5505 -6.5485 -6.5485 -3.1294 -3.1294 -3.0215 -3.0215 -2.8777 -2.8777 -2.6037 -2.6037 -2.3366 -2.3366 -1.9874 -1.9874 -1.4396 -1.4396 -1.3471 -1.3471 -1.0757 -1.0757 -1.0697 -1.0697 7.4805 7.4805 8.7186 8.7186 k = 0.5896 0.4805 0.6472 ( 10866 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3249 -18.3249 -18.3063 -18.3063 -16.5053 -16.5053 -16.4687 -16.4687 -6.5492 -6.5492 -6.5474 -6.5474 -3.1268 -3.1268 -3.0148 -3.0148 -2.8722 -2.8722 -2.6021 -2.6021 -2.3364 -2.3364 -1.9906 -1.9906 -1.4478 -1.4478 -1.3509 -1.3509 -1.0831 -1.0831 -1.0757 -1.0757 7.4910 7.4910 8.7145 8.7145 k = 0.6024 0.4690 0.6472 ( 10868 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3250 -18.3250 -18.3055 -18.3055 -16.5060 -16.5060 -16.4690 -16.4690 -6.5478 -6.5478 -6.5462 -6.5462 -3.1237 -3.1237 -3.0070 -3.0070 -2.8659 -2.8659 -2.6002 -2.6002 -2.3362 -2.3362 -1.9943 -1.9943 -1.4570 -1.4570 -1.3552 -1.3552 -1.0921 -1.0921 -1.0819 -1.0819 7.5026 7.5026 8.7114 8.7114 k = 0.6152 0.4576 0.6472 ( 10874 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3253 -18.3253 -18.3046 -18.3046 -16.5068 -16.5068 -16.4695 -16.4695 -6.5462 -6.5462 -6.5449 -6.5449 -3.1204 -3.1204 -2.9982 -2.9982 -2.8587 -2.8587 -2.5981 -2.5981 -2.3359 -2.3359 -1.9985 -1.9985 -1.4674 -1.4674 -1.3600 -1.3600 -1.1027 -1.1027 -1.0885 -1.0885 7.5149 7.5149 8.7095 8.7095 k = 0.6280 0.4462 0.6472 ( 10866 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3255 -18.3255 -18.3036 -18.3036 -16.5076 -16.5076 -16.4699 -16.4699 -6.5445 -6.5445 -6.5434 -6.5434 -3.1167 -3.1167 -2.9884 -2.9884 -2.8507 -2.8507 -2.5957 -2.5957 -2.3357 -2.3357 -2.0032 -2.0032 -1.4787 -1.4787 -1.3652 -1.3652 -1.1146 -1.1146 -1.0957 -1.0957 7.5278 7.5278 8.7094 8.7094 k = 0.6408 0.4348 0.6472 ( 10876 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3257 -18.3257 -18.3026 -18.3026 -16.5086 -16.5086 -16.4705 -16.4705 -6.5427 -6.5427 -6.5418 -6.5418 -3.1128 -3.1128 -2.9777 -2.9777 -2.8419 -2.8419 -2.5929 -2.5929 -2.3353 -2.3353 -2.0084 -2.0084 -1.4910 -1.4910 -1.3707 -1.3707 -1.1277 -1.1277 -1.1035 -1.1035 7.5410 7.5410 8.7113 8.7113 k = 0.6536 0.4234 0.6472 ( 10868 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3260 -18.3260 -18.3014 -18.3014 -16.5096 -16.5096 -16.4710 -16.4710 -6.5408 -6.5408 -6.5401 -6.5401 -3.1086 -3.1086 -2.9661 -2.9661 -2.8324 -2.8324 -2.5899 -2.5899 -2.3350 -2.3350 -2.0141 -2.0141 -1.5041 -1.5041 -1.3766 -1.3766 -1.1420 -1.1420 -1.1118 -1.1118 7.5541 7.5541 8.7157 8.7157 k = 0.6664 0.4119 0.6472 ( 10876 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3263 -18.3263 -18.3002 -18.3002 -16.5106 -16.5106 -16.4716 -16.4716 -6.5387 -6.5387 -6.5383 -6.5383 -3.1042 -3.1042 -2.9535 -2.9535 -2.8220 -2.8220 -2.5865 -2.5865 -2.3346 -2.3346 -2.0202 -2.0202 -1.5181 -1.5181 -1.3827 -1.3827 -1.1576 -1.1576 -1.1208 -1.1208 7.5669 7.5669 8.7229 8.7229 k = 0.6792 0.4005 0.6472 ( 10856 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3266 -18.3266 -18.2990 -18.2990 -16.5117 -16.5117 -16.4722 -16.4722 -6.5366 -6.5366 -6.5364 -6.5364 -3.0995 -3.0995 -2.9402 -2.9402 -2.8109 -2.8109 -2.5828 -2.5828 -2.3342 -2.3342 -2.0269 -2.0269 -1.5326 -1.5326 -1.3890 -1.3890 -1.1742 -1.1742 -1.1304 -1.1304 7.5791 7.5791 8.7332 8.7332 k = 0.3208-0.2863 0.9250 ( 10856 PWs) bands (ev): -43.4474 -43.4474 -43.4182 -43.4182 -18.3266 -18.3266 -18.2990 -18.2990 -16.5117 -16.5117 -16.4722 -16.4722 -6.5366 -6.5366 -6.5364 -6.5364 -3.0995 -3.0995 -2.9402 -2.9402 -2.8109 -2.8109 -2.5828 -2.5828 -2.3342 -2.3342 -2.0269 -2.0269 -1.5326 -1.5326 -1.3890 -1.3890 -1.1742 -1.1742 -1.1304 -1.1304 7.5791 7.5791 8.7332 8.7506 k = 0.3080-0.2748 0.9250 ( 10858 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3269 -18.3269 -18.2977 -18.2977 -16.5128 -16.5128 -16.4729 -16.4729 -6.5345 -6.5345 -6.5344 -6.5344 -3.0947 -3.0947 -2.9259 -2.9259 -2.7991 -2.7991 -2.5787 -2.5787 -2.3337 -2.3337 -2.0340 -2.0340 -1.5479 -1.5479 -1.3955 -1.3955 -1.1919 -1.1919 -1.1405 -1.1405 7.5905 7.5905 8.7469 8.7469 k = 0.2952-0.2634 0.9250 ( 10862 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3272 -18.3272 -18.2963 -18.2963 -16.5140 -16.5140 -16.4736 -16.4736 -6.5324 -6.5324 -6.5322 -6.5322 -3.0897 -3.0897 -2.9110 -2.9110 -2.7866 -2.7866 -2.5742 -2.5742 -2.3332 -2.3332 -2.0417 -2.0417 -1.5636 -1.5636 -1.4020 -1.4020 -1.2107 -1.2107 -1.1512 -1.1512 7.6008 7.6008 8.7488 8.7488 k = 0.2823-0.2519 0.9250 ( 10862 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3276 -18.3276 -18.2949 -18.2949 -16.5152 -16.5152 -16.4743 -16.4743 -6.5303 -6.5303 -6.5299 -6.5299 -3.0845 -3.0845 -2.8953 -2.8953 -2.7734 -2.7734 -2.5694 -2.5694 -2.3327 -2.3327 -2.0498 -2.0498 -1.5797 -1.5797 -1.4085 -1.4085 -1.2304 -1.2304 -1.1624 -1.1624 7.6098 7.6098 8.7477 8.7477 k = 0.2695-0.2405 0.9250 ( 10854 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3279 -18.3279 -18.2935 -18.2935 -16.5164 -16.5164 -16.4750 -16.4750 -6.5282 -6.5282 -6.5276 -6.5276 -3.0792 -3.0792 -2.8790 -2.8790 -2.7597 -2.7597 -2.5643 -2.5643 -2.3322 -2.3322 -2.0583 -2.0583 -1.5961 -1.5961 -1.4150 -1.4150 -1.2511 -1.2511 -1.1740 -1.1740 7.6174 7.6174 8.7464 8.7464 k = 0.2567-0.2290 0.9250 ( 10846 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3282 -18.3282 -18.2921 -18.2921 -16.5176 -16.5176 -16.4757 -16.4757 -6.5260 -6.5260 -6.5254 -6.5254 -3.0739 -3.0739 -2.8621 -2.8621 -2.7454 -2.7454 -2.5588 -2.5588 -2.3316 -2.3316 -2.0673 -2.0673 -1.6127 -1.6127 -1.4214 -1.4214 -1.2727 -1.2727 -1.1860 -1.1860 7.6236 7.6236 8.7450 8.7450 k = 0.2438-0.2176 0.9250 ( 10838 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3286 -18.3286 -18.2906 -18.2906 -16.5188 -16.5188 -16.4765 -16.4765 -6.5239 -6.5239 -6.5231 -6.5231 -3.0684 -3.0684 -2.8447 -2.8447 -2.7306 -2.7306 -2.5529 -2.5529 -2.3310 -2.3310 -2.0768 -2.0768 -1.6292 -1.6292 -1.4276 -1.4276 -1.2950 -1.2950 -1.1983 -1.1983 7.6283 7.6283 8.7434 8.7434 k = 0.2310-0.2061 0.9250 ( 10830 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3289 -18.3289 -18.2892 -18.2892 -16.5200 -16.5200 -16.4772 -16.4772 -6.5217 -6.5217 -6.5209 -6.5209 -3.0630 -3.0630 -2.8269 -2.8269 -2.7155 -2.7155 -2.5467 -2.5467 -2.3303 -2.3303 -2.0867 -2.0867 -1.6457 -1.6457 -1.4335 -1.4335 -1.3181 -1.3181 -1.2110 -1.2110 7.6316 7.6316 8.7417 8.7417 k = 0.2182-0.1947 0.9250 ( 10822 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3292 -18.3292 -18.2878 -18.2878 -16.5212 -16.5212 -16.4779 -16.4779 -6.5195 -6.5195 -6.5187 -6.5187 -3.0575 -3.0575 -2.8087 -2.8087 -2.7000 -2.7000 -2.5402 -2.5402 -2.3296 -2.3296 -2.0970 -2.0970 -1.6619 -1.6619 -1.4390 -1.4390 -1.3418 -1.3418 -1.2240 -1.2240 7.6335 7.6335 8.7399 8.7399 k = 0.2053-0.1832 0.9250 ( 10828 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3296 -18.3296 -18.2864 -18.2864 -16.5223 -16.5223 -16.4787 -16.4787 -6.5174 -6.5174 -6.5166 -6.5166 -3.0521 -3.0521 -2.7902 -2.7902 -2.6842 -2.6842 -2.5334 -2.5334 -2.3289 -2.3289 -2.1076 -2.1076 -1.6777 -1.6777 -1.4442 -1.4442 -1.3660 -1.3660 -1.2371 -1.2371 7.6342 7.6342 8.7380 8.7380 k = 0.1925-0.1718 0.9250 ( 10836 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3299 -18.3299 -18.2850 -18.2850 -16.5235 -16.5235 -16.4794 -16.4794 -6.5153 -6.5153 -6.5145 -6.5145 -3.0468 -3.0468 -2.7716 -2.7716 -2.6683 -2.6683 -2.5263 -2.5263 -2.3282 -2.3282 -2.1187 -2.1187 -1.6930 -1.6930 -1.4490 -1.4490 -1.3907 -1.3907 -1.2504 -1.2504 7.6339 7.6339 8.7360 8.7360 k = 0.1797-0.1603 0.9250 ( 10846 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3302 -18.3302 -18.2837 -18.2837 -16.5246 -16.5246 -16.4801 -16.4801 -6.5133 -6.5133 -6.5125 -6.5125 -3.0416 -3.0416 -2.7528 -2.7528 -2.6524 -2.6524 -2.5191 -2.5191 -2.3274 -2.3274 -2.1300 -2.1300 -1.7075 -1.7075 -1.4533 -1.4533 -1.4157 -1.4157 -1.2638 -1.2638 7.6327 7.6327 8.7339 8.7339 k = 0.1668-0.1489 0.9250 ( 10854 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3305 -18.3305 -18.2824 -18.2824 -16.5256 -16.5256 -16.4808 -16.4808 -6.5113 -6.5113 -6.5106 -6.5106 -3.0365 -3.0365 -2.7340 -2.7340 -2.6366 -2.6366 -2.5118 -2.5118 -2.3266 -2.3266 -2.1417 -2.1417 -1.7211 -1.7211 -1.4575 -1.4575 -1.4405 -1.4405 -1.2773 -1.2773 7.6308 7.6308 8.7318 8.7318 k = 0.1540-0.1374 0.9250 ( 10850 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3308 -18.3308 -18.2812 -18.2812 -16.5266 -16.5266 -16.4815 -16.4815 -6.5095 -6.5095 -6.5089 -6.5089 -3.0316 -3.0316 -2.7154 -2.7154 -2.6209 -2.6209 -2.5044 -2.5044 -2.3258 -2.3258 -2.1536 -2.1536 -1.7336 -1.7336 -1.4691 -1.4691 -1.4575 -1.4575 -1.2907 -1.2907 7.6283 7.6283 8.7297 8.7297 k = 0.1412-0.1260 0.9250 ( 10838 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3310 -18.3310 -18.2800 -18.2800 -16.5276 -16.5276 -16.4821 -16.4821 -6.5077 -6.5077 -6.5072 -6.5072 -3.0270 -3.0270 -2.6970 -2.6970 -2.6056 -2.6056 -2.4972 -2.4972 -2.3249 -2.3249 -2.1656 -2.1656 -1.7449 -1.7449 -1.4935 -1.4935 -1.4610 -1.4610 -1.3039 -1.3039 7.6253 7.6253 8.7276 8.7276 k = 0.1283-0.1145 0.9250 ( 10848 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3313 -18.3313 -18.2789 -18.2789 -16.5284 -16.5284 -16.4827 -16.4827 -6.5060 -6.5060 -6.5056 -6.5056 -3.0225 -3.0225 -2.6789 -2.6789 -2.5906 -2.5906 -2.4901 -2.4901 -2.3239 -2.3239 -2.1778 -2.1778 -1.7546 -1.7546 -1.5188 -1.5188 -1.4627 -1.4627 -1.3170 -1.3170 7.6222 7.6222 8.7256 8.7256 k = 0.1155-0.1031 0.9250 ( 10860 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3315 -18.3315 -18.2779 -18.2779 -16.5293 -16.5293 -16.4832 -16.4832 -6.5045 -6.5045 -6.5042 -6.5042 -3.0184 -3.0184 -2.6614 -2.6614 -2.5763 -2.5763 -2.4835 -2.4835 -2.3229 -2.3229 -2.1899 -2.1899 -1.7626 -1.7626 -1.5440 -1.5440 -1.4636 -1.4636 -1.3299 -1.3299 7.6189 7.6189 8.7236 8.7236 k = 0.1027-0.0916 0.9250 ( 10852 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3317 -18.3317 -18.2770 -18.2770 -16.5300 -16.5300 -16.4837 -16.4837 -6.5031 -6.5031 -6.5029 -6.5029 -3.0146 -3.0146 -2.6447 -2.6447 -2.5626 -2.5626 -2.4774 -2.4774 -2.3218 -2.3218 -2.2020 -2.2020 -1.7687 -1.7687 -1.5689 -1.5689 -1.4636 -1.4636 -1.3424 -1.3424 7.6156 7.6156 8.7218 8.7218 k = 0.0898-0.0802 0.9250 ( 10850 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3319 -18.3319 -18.2762 -18.2762 -16.5307 -16.5307 -16.4842 -16.4842 -6.5018 -6.5018 -6.5018 -6.5018 -3.0112 -3.0112 -2.6288 -2.6288 -2.5497 -2.5497 -2.4719 -2.4719 -2.3206 -2.3206 -2.2137 -2.2137 -1.7727 -1.7727 -1.5932 -1.5932 -1.4627 -1.4627 -1.3545 -1.3545 7.6124 7.6124 8.7200 8.7200 k = 0.0770-0.0687 0.9250 ( 10848 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3321 -18.3321 -18.2754 -18.2754 -16.5312 -16.5312 -16.4846 -16.4846 -6.5008 -6.5008 -6.5007 -6.5007 -3.0082 -3.0082 -2.6141 -2.6141 -2.5378 -2.5378 -2.4673 -2.4673 -2.3193 -2.3193 -2.2250 -2.2250 -1.7744 -1.7744 -1.6168 -1.6168 -1.4611 -1.4611 -1.3661 -1.3661 7.6095 7.6095 8.7185 8.7185 k = 0.0642-0.0573 0.9250 ( 10842 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3322 -18.3322 -18.2748 -18.2748 -16.5318 -16.5318 -16.4849 -16.4849 -6.4999 -6.4999 -6.4997 -6.4997 -3.0055 -3.0055 -2.6009 -2.6009 -2.5270 -2.5270 -2.4636 -2.4636 -2.3179 -2.3179 -2.2357 -2.2357 -1.7739 -1.7739 -1.6395 -1.6395 -1.4587 -1.4587 -1.3770 -1.3770 7.6069 7.6069 8.7171 8.7171 k = 0.0513-0.0458 0.9250 ( 10840 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3324 -18.3324 -18.2743 -18.2743 -16.5322 -16.5322 -16.4852 -16.4852 -6.4992 -6.4992 -6.4989 -6.4989 -3.0034 -3.0034 -2.5894 -2.5894 -2.5175 -2.5175 -2.4609 -2.4609 -2.3163 -2.3163 -2.2454 -2.2454 -1.7708 -1.7708 -1.6610 -1.6610 -1.4556 -1.4556 -1.3872 -1.3872 7.6047 7.6047 8.7160 8.7160 k = 0.0385-0.0344 0.9250 ( 10832 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3325 -18.3325 -18.2739 -18.2739 -16.5325 -16.5325 -16.4854 -16.4854 -6.4987 -6.4987 -6.4983 -6.4983 -3.0016 -3.0016 -2.5800 -2.5800 -2.5096 -2.5096 -2.4591 -2.4591 -2.3147 -2.3147 -2.2538 -2.2538 -1.7654 -1.7654 -1.6810 -1.6810 -1.4520 -1.4520 -1.3964 -1.3964 7.6029 7.6029 8.7151 8.7151 k = 0.0257-0.0229 0.9250 ( 10830 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3325 -18.3325 -18.2736 -18.2736 -16.5327 -16.5327 -16.4856 -16.4856 -6.4983 -6.4983 -6.4979 -6.4979 -3.0004 -3.0004 -2.5730 -2.5730 -2.5035 -2.5035 -2.4581 -2.4581 -2.3132 -2.3132 -2.2604 -2.2604 -1.7577 -1.7577 -1.6993 -1.6993 -1.4482 -1.4482 -1.4043 -1.4043 7.6015 7.6015 8.7144 8.7144 k = 0.0128-0.0115 0.9250 ( 10828 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3326 -18.3326 -18.2734 -18.2734 -16.5329 -16.5329 -16.4857 -16.4857 -6.4981 -6.4981 -6.4976 -6.4976 -2.9997 -2.9997 -2.5687 -2.5687 -2.4997 -2.4997 -2.4577 -2.4577 -2.3120 -2.3120 -2.2648 -2.2648 -1.7484 -1.7484 -1.7150 -1.7150 -1.4450 -1.4450 -1.4099 -1.4099 7.6007 7.6007 8.7140 8.7140 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3326 -18.3326 -18.2734 -18.2734 -16.5329 -16.5329 -16.4857 -16.4857 -6.4980 -6.4980 -6.4975 -6.4975 -2.9994 -2.9994 -2.5672 -2.5672 -2.4984 -2.4984 -2.4575 -2.4575 -2.3116 -2.3116 -2.2663 -2.2663 -1.7419 -1.7419 -1.7237 -1.7237 -1.4436 -1.4436 -1.4121 -1.4121 7.6005 7.6005 8.7139 8.7139 k = 0.0000 0.0000 0.9250 ( 10814 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3326 -18.3326 -18.2734 -18.2734 -16.5329 -16.5329 -16.4857 -16.4857 -6.4980 -6.4980 -6.4975 -6.4975 -2.9994 -2.9994 -2.5672 -2.5672 -2.4984 -2.4984 -2.4575 -2.4575 -2.3116 -2.3116 -2.2663 -2.2663 -1.7419 -1.7419 -1.7237 -1.7237 -1.4436 -1.4436 -1.4121 -1.4121 7.6005 7.6005 8.7139 8.7139 k = 0.0116 0.0130 0.9250 ( 10822 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3327 -18.3327 -18.2733 -18.2733 -16.5329 -16.5329 -16.4858 -16.4858 -6.5004 -6.5004 -6.4948 -6.4948 -2.9994 -2.9994 -2.5679 -2.5679 -2.4990 -2.4990 -2.4594 -2.4594 -2.3100 -2.3100 -2.2641 -2.2641 -1.7418 -1.7418 -1.7242 -1.7242 -1.4434 -1.4434 -1.4120 -1.4120 7.6001 7.6001 8.7138 8.7138 k = 0.0232 0.0260 0.9250 ( 10832 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3329 -18.3329 -18.2733 -18.2733 -16.5327 -16.5327 -16.4859 -16.4859 -6.5029 -6.5029 -6.4916 -6.4916 -2.9993 -2.9993 -2.5700 -2.5700 -2.5009 -2.5009 -2.4646 -2.4646 -2.3054 -2.3054 -2.2577 -2.2577 -1.7417 -1.7417 -1.7257 -1.7257 -1.4428 -1.4428 -1.4117 -1.4117 7.5991 7.5991 8.7135 8.7135 k = 0.0348 0.0390 0.9250 ( 10829 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3334 -18.3334 -18.2733 -18.2733 -16.5325 -16.5325 -16.4862 -16.4862 -6.5051 -6.5051 -6.4883 -6.4883 -2.9992 -2.9992 -2.5737 -2.5737 -2.5033 -2.5033 -2.4725 -2.4725 -2.2981 -2.2981 -2.2479 -2.2479 -1.7414 -1.7414 -1.7281 -1.7281 -1.4419 -1.4419 -1.4112 -1.4112 7.5974 7.5974 8.7129 8.7129 k = 0.0464 0.0521 0.9250 ( 10833 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3340 -18.3340 -18.2733 -18.2733 -16.5322 -16.5322 -16.4865 -16.4865 -6.5070 -6.5070 -6.4847 -6.4847 -2.9990 -2.9990 -2.5792 -2.5792 -2.5056 -2.5056 -2.4823 -2.4823 -2.2886 -2.2886 -2.2357 -2.2357 -1.7410 -1.7410 -1.7313 -1.7313 -1.4406 -1.4406 -1.4106 -1.4106 7.5950 7.5950 8.7120 8.7120 k = 0.0581 0.0651 0.9250 ( 10836 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3347 -18.3347 -18.2733 -18.2733 -16.5317 -16.5317 -16.4870 -16.4870 -6.5087 -6.5087 -6.4808 -6.4808 -2.9989 -2.9989 -2.5867 -2.5867 -2.5077 -2.5077 -2.4930 -2.4930 -2.2773 -2.2773 -2.2217 -2.2217 -1.7405 -1.7405 -1.7352 -1.7352 -1.4389 -1.4389 -1.4098 -1.4098 7.5921 7.5921 8.7107 8.7107 k = 0.0697 0.0781 0.9250 ( 10834 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3356 -18.3356 -18.2733 -18.2733 -16.5312 -16.5312 -16.4876 -16.4876 -6.5100 -6.5100 -6.4768 -6.4768 -2.9987 -2.9987 -2.5959 -2.5959 -2.5110 -2.5110 -2.5020 -2.5020 -2.2647 -2.2647 -2.2068 -2.2068 -1.7405 -1.7405 -1.7390 -1.7390 -1.4368 -1.4368 -1.4088 -1.4088 7.5888 7.5888 8.7088 8.7088 k = 0.0813 0.0911 0.9250 ( 10838 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3367 -18.3367 -18.2733 -18.2733 -16.5307 -16.5307 -16.4882 -16.4882 -6.5111 -6.5111 -6.4726 -6.4726 -2.9985 -2.9985 -2.6067 -2.6067 -2.5202 -2.5202 -2.5045 -2.5045 -2.2511 -2.2511 -2.1915 -2.1915 -1.7446 -1.7446 -1.7387 -1.7387 -1.4344 -1.4344 -1.4078 -1.4078 7.5850 7.5850 8.7062 8.7062 k = 0.0929 0.1041 0.9250 ( 10837 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3379 -18.3379 -18.2733 -18.2733 -16.5300 -16.5300 -16.4890 -16.4890 -6.5119 -6.5119 -6.4682 -6.4682 -2.9983 -2.9983 -2.6186 -2.6186 -2.5318 -2.5318 -2.5037 -2.5037 -2.2369 -2.2369 -2.1763 -2.1763 -1.7492 -1.7492 -1.7376 -1.7376 -1.4316 -1.4316 -1.4067 -1.4067 7.5810 7.5810 8.7029 8.7029 k = 0.1045 0.1171 0.9250 ( 10831 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3392 -18.3392 -18.2734 -18.2734 -16.5292 -16.5292 -16.4898 -16.4898 -6.5124 -6.5124 -6.4636 -6.4636 -2.9982 -2.9982 -2.6314 -2.6314 -2.5436 -2.5436 -2.5018 -2.5018 -2.2222 -2.2222 -2.1618 -2.1618 -1.7536 -1.7536 -1.7363 -1.7363 -1.4285 -1.4285 -1.4054 -1.4054 7.5767 7.5767 8.6986 8.6986 k = 0.1161 0.1301 0.9250 ( 10829 PWs) bands (ev): -43.4475 -43.4475 -43.4181 -43.4181 -18.3406 -18.3406 -18.2736 -18.2736 -16.5284 -16.5284 -16.4907 -16.4907 -6.5126 -6.5126 -6.4589 -6.4589 -2.9981 -2.9981 -2.6448 -2.6448 -2.5550 -2.5550 -2.4991 -2.4991 -2.2073 -2.2073 -2.1483 -2.1483 -1.7573 -1.7573 -1.7346 -1.7346 -1.4250 -1.4250 -1.4041 -1.4041 7.5724 7.5724 8.6932 8.6932 k = 0.1277 0.1431 0.9250 ( 10847 PWs) bands (ev): -43.4475 -43.4475 -43.4182 -43.4182 -18.3421 -18.3421 -18.2738 -18.2738 -16.5275 -16.5275 -16.4917 -16.4917 -6.5124 -6.5124 -6.4540 -6.4540 -2.9981 -2.9981 -2.6586 -2.6586 -2.5658 -2.5658 -2.4960 -2.4960 -2.1922 -2.1922 -2.1364 -2.1364 -1.7601 -1.7601 -1.7327 -1.7327 -1.4212 -1.4212 -1.4027 -1.4027 7.5681 7.5681 8.6867 8.6867 k = 0.1393 0.1562 0.9250 ( 10841 PWs) bands (ev): -43.4475 -43.4475 -43.4182 -43.4182 -18.3437 -18.3437 -18.2741 -18.2741 -16.5265 -16.5265 -16.4928 -16.4928 -6.5119 -6.5119 -6.4489 -6.4489 -2.9983 -2.9983 -2.6726 -2.6726 -2.5760 -2.5760 -2.4927 -2.4927 -2.1771 -2.1771 -2.1264 -2.1264 -1.7614 -1.7614 -1.7303 -1.7303 -1.4171 -1.4171 -1.4011 -1.4011 7.5639 7.5639 8.6790 8.6790 k = 0.1509 0.1692 0.9250 ( 10851 PWs) bands (ev): -43.4476 -43.4476 -43.4182 -43.4182 -18.3453 -18.3453 -18.2745 -18.2745 -16.5254 -16.5254 -16.4939 -16.4939 -6.5110 -6.5110 -6.4436 -6.4436 -2.9986 -2.9986 -2.6867 -2.6867 -2.5855 -2.5855 -2.4891 -2.4891 -2.1621 -2.1621 -2.1186 -2.1186 -1.7610 -1.7610 -1.7276 -1.7276 -1.4127 -1.4127 -1.3992 -1.3992 7.5599 7.5599 8.6699 8.6699 k = 0.1625 0.1822 0.9250 ( 10844 PWs) bands (ev): -43.4476 -43.4476 -43.4182 -43.4182 -18.3470 -18.3470 -18.2750 -18.2750 -16.5243 -16.5243 -16.4951 -16.4951 -6.5098 -6.5098 -6.4382 -6.4382 -2.9991 -2.9991 -2.7009 -2.7009 -2.5941 -2.5941 -2.4856 -2.4856 -2.1473 -2.1473 -2.1134 -2.1134 -1.7587 -1.7587 -1.7244 -1.7244 -1.4082 -1.4082 -1.3970 -1.3970 7.5561 7.5561 8.6595 8.6595 k = 0.1742 0.1952 0.9250 ( 10850 PWs) bands (ev): -43.4476 -43.4476 -43.4183 -43.4183 -18.3488 -18.3488 -18.2756 -18.2756 -16.5232 -16.5232 -16.4964 -16.4964 -6.5082 -6.5082 -6.4327 -6.4327 -2.9998 -2.9998 -2.7149 -2.7149 -2.6019 -2.6019 -2.4821 -2.4821 -2.1328 -2.1328 -2.1106 -2.1106 -1.7544 -1.7544 -1.7208 -1.7208 -1.4036 -1.4036 -1.3942 -1.3942 7.5528 7.5528 8.6478 8.6478 k = 0.1858 0.2082 0.9250 ( 10846 PWs) bands (ev): -43.4476 -43.4476 -43.4183 -43.4183 -18.3506 -18.3506 -18.2763 -18.2763 -16.5219 -16.5219 -16.4977 -16.4977 -6.5062 -6.5062 -6.4270 -6.4270 -3.0008 -3.0008 -2.7289 -2.7289 -2.6088 -2.6088 -2.4788 -2.4788 -2.1198 -2.1198 -2.1092 -2.1092 -1.7482 -1.7482 -1.7167 -1.7167 -1.3992 -1.3992 -1.3906 -1.3906 7.5498 7.5498 8.6348 8.6348 k = 0.1974 0.2212 0.9250 ( 10846 PWs) bands (ev): -43.4476 -43.4476 -43.4183 -43.4183 -18.3524 -18.3524 -18.2772 -18.2772 -16.5207 -16.5207 -16.4991 -16.4991 -6.5038 -6.5038 -6.4212 -6.4212 -3.0021 -3.0021 -2.7427 -2.7427 -2.6149 -2.6149 -2.4758 -2.4758 -2.1161 -2.1161 -2.1011 -2.1011 -1.7402 -1.7402 -1.7121 -1.7121 -1.3951 -1.3951 -1.3860 -1.3860 7.5474 7.5474 8.6206 8.6206 k = 0.2090 0.2342 0.9250 ( 10845 PWs) bands (ev): -43.4476 -43.4476 -43.4183 -43.4183 -18.3543 -18.3543 -18.2782 -18.2782 -16.5194 -16.5194 -16.5005 -16.5005 -6.5010 -6.5010 -6.4153 -6.4153 -3.0037 -3.0037 -2.7564 -2.7564 -2.6202 -2.6202 -2.4731 -2.4731 -2.1200 -2.1200 -2.0877 -2.0877 -1.7308 -1.7308 -1.7070 -1.7070 -1.3910 -1.3910 -1.3804 -1.3804 7.5454 7.5454 8.6054 8.6054 k = 0.2206 0.2472 0.9250 ( 10847 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3561 -18.3561 -18.2793 -18.2793 -16.5180 -16.5180 -16.5019 -16.5019 -6.4977 -6.4977 -6.4092 -6.4092 -3.0056 -3.0056 -2.7698 -2.7698 -2.6247 -2.6247 -2.4710 -2.4710 -2.1264 -2.1264 -2.0739 -2.0739 -1.7205 -1.7205 -1.7013 -1.7013 -1.3867 -1.3867 -1.3742 -1.3742 7.5440 7.5440 8.5892 8.5892 k = 0.2322 0.2603 0.9250 ( 10847 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3580 -18.3580 -18.2806 -18.2806 -16.5167 -16.5167 -16.5033 -16.5033 -6.4940 -6.4940 -6.4030 -6.4030 -3.0078 -3.0078 -2.7830 -2.7830 -2.6285 -2.6285 -2.4694 -2.4694 -2.1344 -2.1344 -2.0602 -2.0602 -1.7099 -1.7099 -1.6948 -1.6948 -1.3819 -1.3819 -1.3674 -1.3674 7.5431 7.5431 8.5722 8.5722 k = 0.2438 0.2733 0.9250 ( 10845 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3599 -18.3599 -18.2820 -18.2820 -16.5153 -16.5153 -16.5048 -16.5048 -6.4898 -6.4898 -6.3966 -6.3966 -3.0103 -3.0103 -2.7959 -2.7959 -2.6318 -2.6318 -2.4683 -2.4683 -2.1434 -2.1434 -2.0466 -2.0466 -1.6995 -1.6995 -1.6872 -1.6872 -1.3764 -1.3764 -1.3601 -1.3601 7.5427 7.5427 8.5547 8.5547 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3617 -18.3617 -18.2837 -18.2837 -16.5139 -16.5139 -16.5063 -16.5063 -6.4852 -6.4852 -6.3901 -6.3901 -3.0132 -3.0132 -2.8086 -2.8086 -2.6346 -2.6346 -2.4680 -2.4680 -2.1531 -2.1531 -2.0333 -2.0333 -1.6900 -1.6900 -1.6784 -1.6784 -1.3700 -1.3700 -1.3525 -1.3525 7.5427 7.5427 8.5369 8.5369 k = 0.2554 0.2863 0.9250 ( 10845 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3617 -18.3617 -18.2837 -18.2837 -16.5139 -16.5139 -16.5063 -16.5063 -6.4852 -6.4852 -6.3901 -6.3901 -3.0132 -3.0132 -2.8086 -2.8086 -2.6346 -2.6346 -2.4680 -2.4680 -2.1531 -2.1531 -2.0333 -2.0333 -1.6900 -1.6900 -1.6784 -1.6784 -1.3700 -1.3700 -1.3525 -1.3525 7.5427 7.5427 8.5369 8.5369 k = 0.2658 0.2979 0.9176 ( 10859 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3618 -18.3618 -18.2836 -18.2836 -16.5117 -16.5117 -16.5067 -16.5067 -6.4898 -6.4898 -6.3928 -6.3928 -3.0191 -3.0191 -2.8278 -2.8278 -2.6409 -2.6409 -2.4694 -2.4694 -2.1658 -2.1658 -2.0272 -2.0272 -1.6762 -1.6762 -1.6632 -1.6632 -1.3561 -1.3561 -1.3390 -1.3390 7.5497 7.5497 8.5426 8.5426 k = 0.2761 0.3095 0.9102 ( 10861 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3618 -18.3618 -18.2837 -18.2837 -16.5095 -16.5095 -16.5071 -16.5071 -6.4942 -6.4942 -6.3958 -6.3958 -3.0248 -3.0248 -2.8466 -2.8466 -2.6474 -2.6474 -2.4718 -2.4718 -2.1785 -2.1785 -2.0214 -2.0214 -1.6625 -1.6625 -1.6475 -1.6475 -1.3414 -1.3414 -1.3252 -1.3252 7.5555 7.5555 8.5496 8.5496 k = 0.2865 0.3210 0.9027 ( 10861 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3617 -18.3617 -18.2840 -18.2840 -16.5075 -16.5075 -16.5072 -16.5072 -6.4984 -6.4984 -6.3989 -6.3989 -3.0303 -3.0303 -2.8651 -2.8651 -2.6544 -2.6544 -2.4752 -2.4752 -2.1911 -2.1911 -2.0159 -2.0159 -1.6488 -1.6488 -1.6316 -1.6316 -1.3259 -1.3259 -1.3109 -1.3109 7.5603 7.5603 8.5579 8.5579 k = 0.2968 0.3326 0.8953 ( 10854 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3615 -18.3615 -18.2845 -18.2845 -16.5078 -16.5078 -16.5050 -16.5050 -6.5024 -6.5024 -6.4023 -6.4023 -3.0356 -3.0356 -2.8831 -2.8831 -2.6618 -2.6618 -2.4795 -2.4795 -2.2033 -2.2033 -2.0105 -2.0105 -1.6349 -1.6349 -1.6158 -1.6158 -1.3099 -1.3099 -1.2963 -1.2963 7.5638 7.5638 8.5675 8.5675 k = 0.3071 0.3442 0.8879 ( 10852 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3611 -18.3611 -18.2851 -18.2851 -16.5081 -16.5081 -16.5027 -16.5027 -6.5060 -6.5060 -6.4059 -6.4059 -3.0405 -3.0405 -2.9008 -2.9008 -2.6698 -2.6698 -2.4847 -2.4847 -2.2151 -2.2151 -2.0053 -2.0053 -1.6211 -1.6211 -1.6003 -1.6003 -1.2935 -1.2935 -1.2814 -1.2814 7.5661 7.5661 8.5785 8.5785 k = 0.3175 0.3558 0.8805 ( 10848 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3606 -18.3606 -18.2859 -18.2859 -16.5083 -16.5083 -16.5004 -16.5004 -6.5095 -6.5095 -6.4096 -6.4096 -3.0449 -3.0449 -2.9179 -2.9179 -2.6784 -2.6784 -2.4906 -2.4906 -2.2262 -2.2262 -2.0002 -2.0002 -1.6074 -1.6074 -1.5849 -1.5849 -1.2769 -1.2769 -1.2663 -1.2663 7.5672 7.5672 8.5907 8.5907 k = 0.3278 0.3674 0.8731 ( 10852 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3599 -18.3599 -18.2868 -18.2868 -16.5085 -16.5085 -16.4981 -16.4981 -6.5126 -6.5126 -6.4136 -6.4136 -3.0490 -3.0490 -2.9346 -2.9346 -2.6877 -2.6877 -2.4970 -2.4970 -2.2367 -2.2367 -1.9952 -1.9952 -1.5938 -1.5938 -1.5698 -1.5698 -1.2606 -1.2606 -1.2508 -1.2508 7.5670 7.5670 8.6041 8.6041 k = 0.3382 0.3790 0.8656 ( 10844 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3591 -18.3591 -18.2879 -18.2879 -16.5087 -16.5087 -16.4959 -16.4959 -6.5154 -6.5154 -6.4178 -6.4178 -3.0525 -3.0525 -2.9507 -2.9507 -2.6976 -2.6976 -2.5040 -2.5040 -2.2464 -2.2464 -1.9903 -1.9903 -1.5805 -1.5805 -1.5550 -1.5550 -1.2445 -1.2445 -1.2350 -1.2350 7.5656 7.5656 8.6186 8.6186 k = 0.3485 0.3906 0.8582 ( 10840 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3582 -18.3582 -18.2892 -18.2892 -16.5089 -16.5089 -16.4937 -16.4937 -6.5179 -6.5179 -6.4221 -6.4221 -3.0555 -3.0555 -2.9663 -2.9663 -2.7082 -2.7082 -2.5113 -2.5113 -2.2554 -2.2554 -1.9855 -1.9855 -1.5674 -1.5674 -1.5404 -1.5404 -1.2290 -1.2290 -1.2191 -1.2191 7.5631 7.5631 8.6340 8.6340 k = 0.3588 0.4022 0.8508 ( 10836 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3571 -18.3571 -18.2906 -18.2906 -16.5090 -16.5090 -16.4915 -16.4915 -6.5201 -6.5201 -6.4266 -6.4266 -3.0580 -3.0580 -2.9814 -2.9814 -2.7195 -2.7195 -2.5190 -2.5190 -2.2635 -2.2635 -1.9810 -1.9810 -1.5547 -1.5547 -1.5260 -1.5260 -1.2140 -1.2140 -1.2032 -1.2032 7.5594 7.5594 8.6501 8.6501 k = 0.3692 0.4138 0.8434 ( 10841 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3559 -18.3559 -18.2921 -18.2921 -16.5091 -16.5091 -16.4894 -16.4894 -6.5220 -6.5220 -6.4313 -6.4313 -3.0599 -3.0599 -2.9958 -2.9958 -2.7313 -2.7313 -2.5268 -2.5268 -2.2709 -2.2709 -1.9766 -1.9766 -1.5424 -1.5424 -1.5118 -1.5118 -1.1995 -1.1995 -1.1875 -1.1875 7.5546 7.5546 8.6660 8.6660 k = 0.3795 0.4254 0.8360 ( 10833 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3546 -18.3546 -18.2937 -18.2937 -16.5091 -16.5091 -16.4873 -16.4873 -6.5236 -6.5236 -6.4361 -6.4361 -3.0612 -3.0612 -3.0096 -3.0096 -2.7437 -2.7437 -2.5347 -2.5347 -2.2774 -2.2774 -1.9726 -1.9726 -1.5305 -1.5305 -1.4978 -1.4978 -1.1856 -1.1856 -1.1722 -1.1722 7.5489 7.5489 8.6797 8.6798 k = 0.3899 0.4369 0.8285 ( 10839 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3532 -18.3532 -18.2955 -18.2955 -16.5091 -16.5091 -16.4853 -16.4853 -6.5248 -6.5248 -6.4410 -6.4410 -3.0620 -3.0620 -3.0228 -3.0228 -2.7565 -2.7565 -2.5426 -2.5426 -2.2833 -2.2833 -1.9689 -1.9689 -1.5190 -1.5190 -1.4840 -1.4840 -1.1721 -1.1721 -1.1575 -1.1575 7.5423 7.5423 8.6854 8.6854 k = 0.4002 0.4485 0.8211 ( 10840 PWs) bands (ev): -43.4476 -43.4476 -43.4184 -43.4184 -18.3516 -18.3516 -18.2974 -18.2974 -16.5090 -16.5090 -16.4834 -16.4834 -6.5257 -6.5257 -6.4461 -6.4461 -3.0622 -3.0622 -3.0354 -3.0354 -2.7698 -2.7698 -2.5504 -2.5504 -2.2884 -2.2884 -1.9656 -1.9656 -1.5079 -1.5079 -1.4705 -1.4705 -1.1592 -1.1592 -1.1436 -1.1436 7.5350 7.5350 8.6788 8.6789 k = 0.7446-0.1720 0.6472 ( 10845 PWs) bands (ev): -43.4477 -43.4477 -43.4185 -43.4185 -18.3617 -18.3617 -18.2837 -18.2837 -16.5139 -16.5139 -16.5063 -16.5063 -6.4852 -6.4852 -6.3901 -6.3901 -3.0132 -3.0132 -2.8086 -2.8086 -2.6346 -2.6346 -2.4680 -2.4680 -2.1531 -2.1531 -2.0333 -2.0333 -1.6900 -1.6900 -1.6784 -1.6784 -1.3700 -1.3700 -1.3525 -1.3525 7.5427 7.5427 8.5369 8.5369 k = 0.7406-0.1765 0.6309 ( 10845 PWs) bands (ev): -43.4478 -43.4478 -43.4186 -43.4186 -18.3659 -18.3659 -18.2881 -18.2881 -16.5154 -16.5154 -16.5088 -16.5088 -6.4622 -6.4622 -6.3680 -6.3680 -3.0078 -3.0078 -2.7954 -2.7954 -2.6270 -2.6270 -2.4665 -2.4665 -2.1476 -2.1476 -2.0166 -2.0166 -1.6999 -1.6999 -1.6882 -1.6882 -1.3838 -1.3838 -1.3631 -1.3631 7.5253 7.5253 8.4818 8.4818 k = 0.7366-0.1810 0.6147 ( 10849 PWs) bands (ev): -43.4479 -43.4479 -43.4187 -43.4187 -18.3706 -18.3706 -18.2929 -18.2929 -16.5171 -16.5171 -16.5116 -16.5116 -6.4365 -6.4365 -6.3433 -6.3433 -3.0034 -3.0034 -2.7824 -2.7824 -2.6190 -2.6190 -2.4654 -2.4654 -2.1413 -2.1413 -2.0001 -2.0001 -1.7090 -1.7090 -1.6971 -1.6971 -1.3979 -1.3979 -1.3736 -1.3736 7.5049 7.5049 8.4214 8.4214 k = 0.7326-0.1855 0.5984 ( 10849 PWs) bands (ev): -43.4480 -43.4480 -43.4188 -43.4188 -18.3758 -18.3758 -18.2982 -18.2982 -16.5189 -16.5189 -16.5144 -16.5144 -6.4080 -6.4080 -6.3162 -6.3162 -3.0002 -3.0002 -2.7696 -2.7696 -2.6107 -2.6107 -2.4649 -2.4649 -2.1341 -2.1341 -1.9838 -1.9838 -1.7171 -1.7171 -1.7050 -1.7050 -1.4120 -1.4120 -1.3838 -1.3838 7.4812 7.4812 8.3559 8.3559 k = 0.7286-0.1900 0.5822 ( 10852 PWs) bands (ev): -43.4482 -43.4482 -43.4189 -43.4189 -18.3815 -18.3815 -18.3038 -18.3038 -16.5209 -16.5209 -16.5174 -16.5174 -6.3770 -6.3770 -6.2866 -6.2866 -2.9980 -2.9980 -2.7570 -2.7570 -2.6022 -2.6022 -2.4649 -2.4649 -2.1258 -2.1258 -1.9678 -1.9678 -1.7242 -1.7242 -1.7119 -1.7119 -1.4263 -1.4263 -1.3938 -1.3938 7.4541 7.4541 8.2854 8.2854 k = 0.7245-0.1945 0.5659 ( 10855 PWs) bands (ev): -43.4483 -43.4483 -43.4190 -43.4190 -18.3877 -18.3877 -18.3099 -18.3099 -16.5229 -16.5229 -16.5206 -16.5206 -6.3435 -6.3435 -6.2548 -6.2548 -2.9968 -2.9968 -2.7448 -2.7448 -2.5938 -2.5938 -2.4656 -2.4656 -2.1164 -2.1164 -1.9521 -1.9521 -1.7305 -1.7305 -1.7175 -1.7175 -1.4407 -1.4407 -1.4034 -1.4034 7.4236 7.4236 8.2102 8.2102 k = 0.7205-0.1990 0.5496 ( 10850 PWs) bands (ev): -43.4484 -43.4484 -43.4192 -43.4192 -18.3944 -18.3944 -18.3163 -18.3163 -16.5250 -16.5250 -16.5239 -16.5239 -6.3075 -6.3075 -6.2208 -6.2208 -2.9964 -2.9964 -2.7329 -2.7329 -2.5857 -2.5857 -2.4671 -2.4671 -2.1061 -2.1061 -1.9368 -1.9368 -1.7359 -1.7359 -1.7215 -1.7215 -1.4551 -1.4551 -1.4128 -1.4128 7.3895 7.3895 8.1308 8.1308 k = 0.7165-0.2034 0.5334 ( 10848 PWs) bands (ev): -43.4486 -43.4486 -43.4193 -43.4193 -18.4014 -18.4014 -18.3230 -18.3230 -16.5273 -16.5273 -16.5273 -16.5273 -6.2693 -6.2693 -6.1847 -6.1847 -2.9968 -2.9968 -2.7214 -2.7214 -2.5780 -2.5780 -2.4692 -2.4692 -2.0946 -2.0946 -1.9219 -1.9219 -1.7405 -1.7405 -1.7238 -1.7238 -1.4695 -1.4695 -1.4219 -1.4219 7.3516 7.3516 8.0474 8.0474 k = 0.7125-0.2079 0.5171 ( 10856 PWs) bands (ev): -43.4487 -43.4487 -43.4195 -43.4195 -18.4089 -18.4089 -18.3301 -18.3301 -16.5308 -16.5308 -16.5296 -16.5296 -6.2289 -6.2289 -6.1466 -6.1466 -2.9979 -2.9979 -2.7103 -2.7103 -2.5709 -2.5709 -2.4721 -2.4721 -2.0821 -2.0821 -1.9075 -1.9075 -1.7445 -1.7445 -1.7241 -1.7241 -1.4839 -1.4839 -1.4306 -1.4306 7.3100 7.3100 7.9605 7.9605 k = 0.7085-0.2124 0.5009 ( 10861 PWs) bands (ev): -43.4489 -43.4489 -43.4196 -43.4196 -18.4166 -18.4166 -18.3374 -18.3374 -16.5344 -16.5344 -16.5320 -16.5320 -6.1864 -6.1864 -6.1065 -6.1065 -2.9996 -2.9996 -2.6997 -2.6997 -2.5645 -2.5645 -2.4758 -2.4758 -2.0687 -2.0687 -1.8936 -1.8936 -1.7477 -1.7477 -1.7224 -1.7224 -1.4982 -1.4982 -1.4390 -1.4390 7.2646 7.2646 7.8705 7.8705 k = 0.7045-0.2169 0.4846 ( 10844 PWs) bands (ev): -43.4491 -43.4491 -43.4198 -43.4198 -18.4246 -18.4246 -18.3449 -18.3449 -16.5381 -16.5381 -16.5344 -16.5344 -6.1420 -6.1420 -6.0647 -6.0647 -3.0018 -3.0018 -2.6897 -2.6897 -2.5589 -2.5589 -2.4803 -2.4803 -2.0544 -2.0544 -1.8801 -1.8801 -1.7499 -1.7499 -1.7187 -1.7187 -1.5124 -1.5124 -1.4469 -1.4469 7.2153 7.2153 7.7780 7.7780 k = 0.7005-0.2214 0.4683 ( 10838 PWs) bands (ev): -43.4492 -43.4492 -43.4199 -43.4199 -18.4329 -18.4329 -18.3527 -18.3527 -16.5418 -16.5418 -16.5369 -16.5369 -6.0958 -6.0958 -6.0212 -6.0212 -3.0045 -3.0045 -2.6803 -2.6803 -2.5542 -2.5542 -2.4855 -2.4855 -2.0394 -2.0394 -1.8670 -1.8670 -1.7512 -1.7512 -1.7133 -1.7133 -1.5265 -1.5265 -1.4544 -1.4544 7.1622 7.1622 7.6835 7.6835 k = 0.6965-0.2259 0.4521 ( 10842 PWs) bands (ev): -43.4494 -43.4494 -43.4201 -43.4201 -18.4415 -18.4415 -18.3606 -18.3606 -16.5456 -16.5456 -16.5395 -16.5395 -6.0481 -6.0481 -5.9761 -5.9761 -3.0074 -3.0074 -2.6716 -2.6716 -2.5504 -2.5504 -2.4914 -2.4914 -2.0240 -2.0240 -1.8543 -1.8543 -1.7512 -1.7512 -1.7062 -1.7062 -1.5404 -1.5404 -1.4615 -1.4615 7.1053 7.1053 7.5875 7.5875 k = 0.6925-0.2304 0.4358 ( 10836 PWs) bands (ev): -43.4496 -43.4496 -43.4203 -43.4203 -18.4502 -18.4502 -18.3688 -18.3688 -16.5495 -16.5495 -16.5421 -16.5421 -5.9990 -5.9990 -5.9295 -5.9295 -3.0106 -3.0106 -2.6636 -2.6636 -2.5476 -2.5476 -2.4980 -2.4980 -2.0085 -2.0085 -1.8418 -1.8418 -1.7498 -1.7498 -1.6976 -1.6976 -1.5540 -1.5540 -1.4680 -1.4680 7.0446 7.0446 7.4906 7.4906 k = 0.6885-0.2349 0.4196 ( 10838 PWs) bands (ev): -43.4498 -43.4498 -43.4205 -43.4205 -18.4590 -18.4590 -18.3770 -18.3770 -16.5534 -16.5534 -16.5447 -16.5447 -5.9487 -5.9487 -5.8817 -5.8817 -3.0140 -3.0140 -2.6563 -2.6563 -2.5458 -2.5458 -2.5052 -2.5052 -1.9931 -1.9931 -1.8294 -1.8294 -1.7468 -1.7468 -1.6877 -1.6877 -1.5673 -1.5673 -1.4739 -1.4739 6.9802 6.9802 7.3934 7.3934 k = 0.6845-0.2393 0.4033 ( 10833 PWs) bands (ev): -43.4500 -43.4500 -43.4207 -43.4207 -18.4679 -18.4679 -18.3853 -18.3853 -16.5573 -16.5573 -16.5474 -16.5474 -5.8974 -5.8974 -5.8326 -5.8326 -3.0175 -3.0175 -2.6498 -2.6498 -2.5450 -2.5450 -2.5129 -2.5129 -1.9783 -1.9783 -1.8172 -1.8172 -1.7420 -1.7420 -1.6767 -1.6767 -1.5803 -1.5803 -1.4792 -1.4792 6.9121 6.9121 7.2964 7.2964 k = 0.6805-0.2438 0.3871 ( 10837 PWs) bands (ev): -43.4502 -43.4502 -43.4208 -43.4208 -18.4769 -18.4769 -18.3937 -18.3937 -16.5612 -16.5612 -16.5500 -16.5500 -5.8455 -5.8455 -5.7823 -5.7823 -3.0209 -3.0209 -2.6442 -2.6442 -2.5452 -2.5452 -2.5209 -2.5209 -1.9644 -1.9644 -1.8050 -1.8050 -1.7352 -1.7352 -1.6650 -1.6650 -1.5927 -1.5927 -1.4837 -1.4837 6.8403 6.8403 7.2004 7.2004 k = 0.6765-0.2483 0.3708 ( 10827 PWs) bands (ev): -43.4503 -43.4503 -43.4210 -43.4210 -18.4859 -18.4859 -18.4021 -18.4021 -16.5651 -16.5651 -16.5527 -16.5527 -5.7930 -5.7930 -5.7311 -5.7311 -3.0243 -3.0243 -2.6393 -2.6393 -2.5464 -2.5464 -2.5291 -2.5291 -1.9518 -1.9518 -1.7928 -1.7928 -1.7263 -1.7263 -1.6528 -1.6528 -1.6046 -1.6046 -1.4874 -1.4874 6.7651 6.7651 7.1058 7.1058 k = 0.6725-0.2528 0.3545 ( 10826 PWs) bands (ev): -43.4505 -43.4505 -43.4212 -43.4212 -18.4949 -18.4949 -18.4105 -18.4105 -16.5690 -16.5690 -16.5553 -16.5553 -5.7404 -5.7404 -5.6789 -5.6789 -3.0275 -3.0275 -2.6354 -2.6354 -2.5491 -2.5491 -2.5370 -2.5370 -1.9407 -1.9407 -1.7808 -1.7808 -1.7153 -1.7153 -1.6405 -1.6405 -1.6155 -1.6155 -1.4899 -1.4899 6.6865 6.6865 7.0131 7.0131 k = 0.6685-0.2573 0.3383 ( 10835 PWs) bands (ev): -43.4507 -43.4507 -43.4214 -43.4214 -18.5039 -18.5039 -18.4189 -18.4189 -16.5728 -16.5728 -16.5579 -16.5579 -5.6879 -5.6879 -5.6259 -5.6259 -3.0306 -3.0306 -2.6324 -2.6324 -2.5537 -2.5537 -2.5437 -2.5437 -1.9314 -1.9314 -1.7690 -1.7690 -1.7023 -1.7023 -1.6308 -1.6308 -1.6230 -1.6230 -1.4911 -1.4911 6.6049 6.6049 6.9228 6.9228 k = 0.6645-0.2618 0.3220 ( 10835 PWs) bands (ev): -43.4509 -43.4509 -43.4216 -43.4216 -18.5128 -18.5128 -18.4272 -18.4272 -16.5766 -16.5766 -16.5605 -16.5605 -5.6357 -5.6357 -5.5723 -5.5723 -3.0333 -3.0333 -2.6304 -2.6304 -2.5605 -2.5605 -2.5488 -2.5488 -1.9240 -1.9240 -1.7574 -1.7574 -1.6881 -1.6881 -1.6356 -1.6356 -1.6149 -1.6149 -1.4906 -1.4906 6.5208 6.5208 6.8351 6.8351 k = 0.6605-0.2663 0.3058 ( 10833 PWs) bands (ev): -43.4511 -43.4511 -43.4218 -43.4218 -18.5215 -18.5215 -18.4354 -18.4354 -16.5803 -16.5803 -16.5631 -16.5631 -5.5842 -5.5842 -5.5182 -5.5182 -3.0357 -3.0357 -2.6296 -2.6296 -2.5682 -2.5682 -2.5533 -2.5533 -1.9184 -1.9184 -1.7461 -1.7461 -1.6750 -1.6750 -1.6402 -1.6402 -1.6045 -1.6045 -1.4881 -1.4881 6.4346 6.4346 6.7501 6.7501 k = 0.6565-0.2708 0.2895 ( 10839 PWs) bands (ev): -43.4513 -43.4513 -43.4219 -43.4219 -18.5301 -18.5301 -18.4435 -18.4435 -16.5840 -16.5840 -16.5656 -16.5656 -5.5334 -5.5334 -5.4639 -5.4639 -3.0378 -3.0378 -2.6301 -2.6301 -2.5758 -2.5758 -2.5579 -2.5579 -1.9145 -1.9145 -1.7351 -1.7351 -1.6689 -1.6689 -1.6355 -1.6355 -1.5952 -1.5952 -1.4831 -1.4831 6.3471 6.3471 6.6678 6.6678 k = 0.6525-0.2752 0.2732 ( 10839 PWs) bands (ev): -43.4515 -43.4515 -43.4221 -43.4221 -18.5385 -18.5385 -18.4514 -18.4514 -16.5876 -16.5876 -16.5680 -16.5680 -5.4837 -5.4837 -5.4095 -5.4095 -3.0394 -3.0394 -2.6321 -2.6321 -2.5827 -2.5827 -2.5628 -2.5628 -1.9123 -1.9123 -1.7245 -1.7245 -1.6709 -1.6709 -1.6208 -1.6208 -1.5875 -1.5875 -1.4756 -1.4756 6.2591 6.2591 6.5884 6.5884 k = 0.6485-0.2797 0.2570 ( 10839 PWs) bands (ev): -43.4516 -43.4516 -43.4223 -43.4223 -18.5467 -18.5467 -18.4591 -18.4591 -16.5910 -16.5910 -16.5704 -16.5704 -5.4352 -5.4352 -5.3554 -5.3554 -3.0406 -3.0406 -2.6359 -2.6359 -2.5883 -2.5883 -2.5681 -2.5681 -1.9116 -1.9116 -1.7146 -1.7146 -1.6749 -1.6749 -1.6026 -1.6026 -1.5809 -1.5809 -1.4656 -1.4656 6.1712 6.1712 6.5117 6.5117 k = 0.6445-0.2842 0.2407 ( 10835 PWs) bands (ev): -43.4518 -43.4518 -43.4224 -43.4224 -18.5546 -18.5546 -18.4665 -18.4665 -16.5944 -16.5944 -16.5726 -16.5726 -5.3881 -5.3881 -5.3018 -5.3018 -3.0414 -3.0414 -2.6415 -2.6415 -2.5928 -2.5928 -2.5736 -2.5736 -1.9123 -1.9123 -1.7054 -1.7054 -1.6783 -1.6783 -1.5861 -1.5861 -1.5729 -1.5729 -1.4535 -1.4535 6.0841 6.0841 6.4378 6.4378 k = 0.6405-0.2887 0.2245 ( 10831 PWs) bands (ev): -43.4520 -43.4520 -43.4226 -43.4226 -18.5623 -18.5623 -18.4738 -18.4738 -16.5977 -16.5977 -16.5748 -16.5748 -5.3425 -5.3425 -5.2490 -5.2490 -3.0417 -3.0417 -2.6484 -2.6484 -2.5961 -2.5961 -2.5794 -2.5794 -1.9143 -1.9143 -1.6978 -1.6978 -1.6798 -1.6798 -1.5782 -1.5782 -1.5567 -1.5567 -1.4398 -1.4398 5.9986 5.9986 6.3667 6.3667 k = 0.6365-0.2932 0.2082 ( 10836 PWs) bands (ev): -43.4521 -43.4521 -43.4228 -43.4228 -18.5696 -18.5696 -18.4808 -18.4808 -16.6008 -16.6008 -16.5769 -16.5769 -5.2987 -5.2987 -5.1974 -5.1974 -3.0416 -3.0416 -2.6564 -2.6564 -2.5988 -2.5988 -2.5854 -2.5854 -1.9175 -1.9175 -1.6931 -1.6931 -1.6780 -1.6780 -1.5747 -1.5747 -1.5368 -1.5368 -1.4251 -1.4251 5.9152 5.9152 6.2985 6.2985 k = 0.6325-0.2977 0.1919 ( 10830 PWs) bands (ev): -43.4523 -43.4523 -43.4229 -43.4229 -18.5767 -18.5767 -18.4874 -18.4874 -16.6038 -16.6038 -16.5789 -16.5789 -5.2567 -5.2567 -5.1471 -5.1471 -3.0411 -3.0411 -2.6649 -2.6649 -2.6009 -2.6009 -2.5915 -2.5915 -1.9217 -1.9217 -1.6909 -1.6909 -1.6730 -1.6730 -1.5722 -1.5722 -1.5165 -1.5165 -1.4097 -1.4097 5.8345 5.8345 6.2334 6.2334 k = 0.6284-0.3022 0.1757 ( 10825 PWs) bands (ev): -43.4524 -43.4524 -43.4230 -43.4230 -18.5833 -18.5833 -18.4938 -18.4938 -16.6066 -16.6066 -16.5807 -16.5807 -5.2168 -5.2168 -5.0985 -5.0985 -3.0403 -3.0403 -2.6739 -2.6739 -2.6032 -2.6032 -2.5974 -2.5974 -1.9269 -1.9269 -1.6893 -1.6893 -1.6669 -1.6669 -1.5699 -1.5699 -1.4966 -1.4966 -1.3941 -1.3941 5.7569 5.7569 6.1716 6.1716 k = 0.6244-0.3067 0.1594 ( 10821 PWs) bands (ev): -43.4526 -43.4526 -43.4232 -43.4232 -18.5896 -18.5896 -18.4998 -18.4998 -16.6092 -16.6092 -16.5824 -16.5824 -5.1791 -5.1791 -5.0519 -5.0519 -3.0392 -3.0392 -2.6829 -2.6829 -2.6068 -2.6068 -2.6018 -2.6018 -1.9328 -1.9328 -1.6871 -1.6871 -1.6609 -1.6609 -1.5674 -1.5674 -1.4775 -1.4775 -1.3786 -1.3786 5.6830 5.6830 6.1133 6.1133 k = 0.6204-0.3111 0.1432 ( 10817 PWs) bands (ev): -43.4527 -43.4527 -43.4233 -43.4233 -18.5954 -18.5954 -18.5054 -18.5054 -16.6117 -16.6117 -16.5840 -16.5840 -5.1438 -5.1438 -5.0075 -5.0075 -3.0380 -3.0380 -2.6919 -2.6919 -2.6125 -2.6125 -2.6041 -2.6041 -1.9393 -1.9393 -1.6840 -1.6840 -1.6555 -1.6555 -1.5646 -1.5646 -1.4592 -1.4592 -1.3634 -1.3634 5.6132 5.6132 6.0588 6.0588 k = 0.6164-0.3156 0.1269 ( 10819 PWs) bands (ev): -43.4528 -43.4528 -43.4234 -43.4234 -18.6009 -18.6009 -18.5106 -18.5106 -16.6140 -16.6140 -16.5855 -16.5855 -5.1110 -5.1110 -4.9656 -4.9656 -3.0367 -3.0367 -2.7008 -2.7008 -2.6187 -2.6187 -2.6056 -2.6056 -1.9461 -1.9461 -1.6799 -1.6799 -1.6508 -1.6508 -1.5614 -1.5614 -1.4422 -1.4421 -1.3488 -1.3488 5.5478 5.5478 6.0082 6.0082 k = 0.6124-0.3201 0.1107 ( 10829 PWs) bands (ev): -43.4529 -43.4529 -43.4235 -43.4235 -18.6059 -18.6059 -18.5155 -18.5155 -16.6162 -16.6162 -16.5868 -16.5868 -5.0809 -5.0809 -4.9264 -4.9264 -3.0355 -3.0355 -2.7095 -2.7095 -2.6251 -2.6251 -2.6069 -2.6069 -1.9533 -1.9533 -1.6747 -1.6747 -1.6468 -1.6468 -1.5577 -1.5577 -1.4263 -1.4263 -1.3350 -1.3350 5.4872 5.4872 5.9619 5.9619 k = 0.6084-0.3246 0.0944 ( 10838 PWs) bands (ev): -43.4530 -43.4530 -43.4236 -43.4236 -18.6104 -18.6104 -18.5199 -18.5199 -16.6181 -16.6181 -16.5879 -16.5879 -5.0535 -5.0535 -4.8903 -4.8903 -3.0345 -3.0345 -2.7179 -2.7179 -2.6313 -2.6313 -2.6080 -2.6080 -1.9604 -1.9604 -1.6686 -1.6686 -1.6435 -1.6435 -1.5535 -1.5535 -1.4119 -1.4119 -1.3221 -1.3221 5.4317 5.4317 5.9201 5.9201 k = 0.6044-0.3291 0.0781 ( 10832 PWs) bands (ev): -43.4531 -43.4531 -43.4237 -43.4237 -18.6145 -18.6145 -18.5239 -18.5239 -16.6198 -16.6198 -16.5889 -16.5889 -5.0291 -5.0291 -4.8574 -4.8574 -3.0338 -3.0338 -2.7261 -2.7261 -2.6375 -2.6375 -2.6089 -2.6089 -1.9675 -1.9675 -1.6617 -1.6617 -1.6409 -1.6409 -1.5489 -1.5489 -1.3990 -1.3990 -1.3103 -1.3103 5.3817 5.3817 5.8830 5.8830 k = 0.6004-0.3336 0.0619 ( 10830 PWs) bands (ev): -43.4532 -43.4532 -43.4238 -43.4238 -18.6180 -18.6180 -18.5274 -18.5274 -16.6214 -16.6214 -16.5897 -16.5897 -5.0076 -5.0076 -4.8280 -4.8280 -3.0336 -3.0336 -2.7340 -2.7340 -2.6434 -2.6434 -2.6098 -2.6098 -1.9742 -1.9742 -1.6541 -1.6541 -1.6386 -1.6386 -1.5439 -1.5439 -1.3877 -1.3877 -1.2997 -1.2997 5.3373 5.3373 5.8508 5.8508 k = 0.5964-0.3381 0.0456 ( 10823 PWs) bands (ev): -43.4533 -43.4533 -43.4238 -43.4238 -18.6211 -18.6211 -18.5305 -18.5305 -16.6227 -16.6227 -16.5904 -16.5904 -4.9892 -4.9892 -4.8022 -4.8022 -3.0340 -3.0340 -2.7415 -2.7415 -2.6491 -2.6491 -2.6105 -2.6105 -1.9806 -1.9806 -1.6462 -1.6462 -1.6364 -1.6364 -1.5386 -1.5386 -1.3781 -1.3781 -1.2904 -1.2904 5.2988 5.2988 5.8239 5.8239 k = 0.5924-0.3426 0.0294 ( 10829 PWs) bands (ev): -43.4533 -43.4533 -43.4239 -43.4239 -18.6236 -18.6236 -18.5331 -18.5331 -16.6238 -16.6238 -16.5909 -16.5909 -4.9739 -4.9739 -4.7802 -4.7802 -3.0350 -3.0350 -2.7486 -2.7486 -2.6545 -2.6545 -2.6110 -2.6110 -1.9863 -1.9863 -1.6398 -1.6398 -1.6323 -1.6323 -1.5330 -1.5330 -1.3702 -1.3702 -1.2825 -1.2825 5.2665 5.2665 5.8023 5.8023 k = 0.5884-0.3470 0.0131 ( 10824 PWs) bands (ev): -43.4534 -43.4534 -43.4239 -43.4239 -18.6257 -18.6257 -18.5352 -18.5352 -16.6247 -16.6247 -16.5912 -16.5912 -4.9618 -4.9618 -4.7623 -4.7623 -3.0369 -3.0369 -2.7554 -2.7554 -2.6596 -2.6596 -2.6113 -2.6113 -1.9913 -1.9913 -1.6372 -1.6372 -1.6242 -1.6242 -1.5272 -1.5272 -1.3642 -1.3642 -1.2760 -1.2760 5.2404 5.2404 5.7861 5.7861 k = 0.5844-0.3515-0.0032 ( 10824 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6272 -18.6272 -18.5369 -18.5369 -16.6254 -16.6254 -16.5913 -16.5913 -4.9530 -4.9530 -4.7485 -4.7485 -3.0395 -3.0395 -2.7618 -2.7618 -2.6645 -2.6645 -2.6115 -2.6115 -1.9954 -1.9954 -1.6361 -1.6361 -1.6142 -1.6142 -1.5213 -1.5213 -1.3599 -1.3599 -1.2711 -1.2711 5.2208 5.2208 5.7757 5.7757 k = 0.5804-0.3560-0.0194 ( 10815 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6281 -18.6281 -18.5381 -18.5381 -16.6258 -16.6258 -16.5913 -16.5913 -4.9475 -4.9475 -4.7389 -4.7389 -3.0430 -3.0430 -2.7679 -2.7679 -2.6691 -2.6691 -2.6114 -2.6114 -1.9986 -1.9986 -1.6356 -1.6356 -1.6035 -1.6035 -1.5153 -1.5153 -1.3576 -1.3576 -1.2678 -1.2678 5.2076 5.2076 5.7709 5.7709 k = 0.5764-0.3605-0.0357 ( 10825 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6285 -18.6285 -18.5387 -18.5387 -16.6260 -16.6260 -16.5910 -16.5910 -4.9454 -4.9454 -4.7336 -4.7336 -3.0473 -3.0473 -2.7736 -2.7736 -2.6734 -2.6734 -2.6112 -2.6112 -2.0008 -2.0008 -1.6353 -1.6353 -1.5923 -1.5923 -1.5092 -1.5092 -1.3572 -1.3572 -1.2661 -1.2661 5.2011 5.2011 5.7720 5.7720 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6284 -18.6284 -18.5389 -18.5389 -16.6260 -16.6260 -16.5906 -16.5906 -4.9465 -4.9465 -4.7327 -4.7327 -3.0524 -3.0524 -2.7789 -2.7789 -2.6775 -2.6775 -2.6107 -2.6107 -2.0018 -2.0018 -1.6353 -1.6353 -1.5807 -1.5807 -1.5031 -1.5031 -1.3586 -1.3586 -1.2660 -1.2660 5.2012 5.2012 5.7788 5.7788 k = 0.5724-0.3650-0.0519 ( 10834 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6284 -18.6284 -18.5389 -18.5389 -16.6260 -16.6260 -16.5906 -16.5906 -4.9465 -4.9465 -4.7327 -4.7327 -3.0524 -3.0524 -2.7789 -2.7789 -2.6775 -2.6775 -2.6107 -2.6107 -2.0018 -2.0018 -1.6353 -1.6353 -1.5807 -1.5807 -1.5031 -1.5031 -1.3586 -1.3586 -1.2660 -1.2660 5.2012 5.2012 5.7788 5.7788 k = 0.5620-0.3766-0.0445 ( 10827 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6296 -18.6296 -18.5372 -18.5372 -16.6270 -16.6270 -16.5909 -16.5909 -4.9475 -4.9475 -4.7319 -4.7319 -3.0461 -3.0461 -2.7536 -2.7536 -2.6737 -2.6737 -2.6076 -2.6076 -1.9940 -1.9940 -1.6418 -1.6418 -1.6087 -1.6087 -1.5213 -1.5213 -1.3601 -1.3601 -1.2646 -1.2646 5.1958 5.1958 5.8041 5.8041 k = 0.5517-0.3882-0.0371 ( 10831 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6306 -18.6306 -18.5356 -18.5356 -16.6277 -16.6277 -16.5912 -16.5912 -4.9483 -4.9483 -4.7312 -4.7312 -3.0402 -3.0402 -2.7302 -2.7302 -2.6716 -2.6716 -2.6065 -2.6065 -1.9831 -1.9831 -1.6471 -1.6471 -1.6355 -1.6355 -1.5382 -1.5382 -1.3613 -1.3613 -1.2634 -1.2634 5.1911 5.1911 5.8262 5.8262 k = 0.5414-0.3998-0.0297 ( 10840 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6315 -18.6315 -18.5344 -18.5344 -16.6284 -16.6284 -16.5914 -16.5914 -4.9490 -4.9490 -4.7307 -4.7307 -3.0351 -3.0351 -2.7089 -2.7089 -2.6707 -2.6707 -2.6074 -2.6074 -1.9699 -1.9699 -1.6634 -1.6634 -1.6481 -1.6481 -1.5534 -1.5534 -1.3622 -1.3622 -1.2624 -1.2624 5.1872 5.1872 5.8447 5.8447 k = 0.5310-0.4114-0.0223 ( 10852 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6321 -18.6321 -18.5334 -18.5334 -16.6289 -16.6289 -16.5915 -16.5915 -4.9495 -4.9495 -4.7303 -4.7303 -3.0308 -3.0308 -2.6904 -2.6904 -2.6702 -2.6702 -2.6104 -2.6104 -1.9560 -1.9560 -1.6867 -1.6867 -1.6497 -1.6497 -1.5665 -1.5665 -1.3629 -1.3629 -1.2617 -1.2617 5.1841 5.1841 5.8593 5.8593 k = 0.5207-0.4229-0.0148 ( 10858 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6326 -18.6326 -18.5327 -18.5327 -16.6293 -16.6293 -16.5917 -16.5916 -4.9499 -4.9499 -4.7300 -4.7300 -3.0275 -3.0275 -2.6778 -2.6778 -2.6666 -2.6666 -2.6152 -2.6152 -1.9431 -1.9431 -1.7062 -1.7062 -1.6499 -1.6499 -1.5768 -1.5768 -1.3633 -1.3633 -1.2611 -1.2611 5.1818 5.1818 5.8699 5.8699 k = 0.5103-0.4345-0.0074 ( 10860 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6329 -18.6329 -18.5323 -18.5323 -16.6295 -16.6295 -16.5917 -16.5917 -4.9502 -4.9502 -4.7298 -4.7298 -3.0255 -3.0255 -2.6749 -2.6749 -2.6570 -2.6570 -2.6210 -2.6210 -1.9337 -1.9337 -1.7195 -1.7195 -1.6494 -1.6494 -1.5836 -1.5836 -1.3636 -1.3636 -1.2608 -1.2608 5.1804 5.1804 5.8763 5.8763 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6330 -18.6330 -18.5321 -18.5321 -16.6296 -16.6296 -16.5917 -16.5917 -4.9503 -4.9503 -4.7297 -4.7297 -3.0248 -3.0248 -2.6747 -2.6747 -2.6518 -2.6518 -2.6242 -2.6242 -1.9302 -1.9302 -1.7243 -1.7243 -1.6492 -1.6492 -1.5859 -1.5859 -1.3637 -1.3637 -1.2607 -1.2607 5.1800 5.1800 5.8785 5.8785 k = 0.5000-0.4461 0.0000 ( 10866 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6330 -18.6330 -18.5321 -18.5321 -16.6296 -16.6296 -16.5917 -16.5917 -4.9503 -4.9503 -4.7297 -4.7297 -3.0248 -3.0248 -2.6747 -2.6747 -2.6518 -2.6518 -2.6242 -2.6242 -1.9302 -1.9302 -1.7243 -1.7243 -1.6492 -1.6492 -1.5859 -1.5859 -1.3637 -1.3637 -1.2607 -1.2607 5.1800 5.1800 5.8785 5.8785 k = 0.4872-0.4347 0.0000 ( 10866 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6331 -18.6331 -18.5321 -18.5321 -16.6295 -16.6295 -16.5917 -16.5917 -4.9503 -4.9503 -4.7297 -4.7297 -3.0262 -3.0262 -2.6903 -2.6903 -2.6536 -2.6536 -2.6094 -2.6094 -1.9290 -1.9290 -1.7242 -1.7242 -1.6481 -1.6481 -1.5837 -1.5837 -1.3636 -1.3636 -1.2607 -1.2607 5.1781 5.1781 5.8786 5.8786 k = 0.4744-0.4232 0.0000 ( 10862 PWs) bands (ev): -43.4534 -43.4534 -43.4240 -43.4240 -18.6333 -18.6333 -18.5320 -18.5320 -16.6293 -16.6293 -16.5916 -16.5916 -4.9504 -4.9504 -4.7297 -4.7297 -3.0301 -3.0301 -2.7207 -2.7207 -2.6552 -2.6552 -2.5850 -2.5850 -1.9253 -1.9253 -1.7236 -1.7236 -1.6448 -1.6448 -1.5771 -1.5771 -1.3633 -1.3633 -1.2608 -1.2608 5.1726 5.1726 5.8791 5.8791 k = 0.4615-0.4118 0.0000 ( 10866 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6337 -18.6337 -18.5319 -18.5319 -16.6289 -16.6289 -16.5914 -16.5914 -4.9505 -4.9505 -4.7297 -4.7297 -3.0366 -3.0366 -2.7553 -2.7553 -2.6572 -2.6572 -2.5613 -2.5613 -1.9191 -1.9191 -1.7221 -1.7221 -1.6395 -1.6395 -1.5667 -1.5667 -1.3629 -1.3629 -1.2610 -1.2610 5.1635 5.1635 5.8799 5.8799 k = 0.4487-0.4004 0.0000 ( 10858 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6342 -18.6342 -18.5317 -18.5317 -16.6285 -16.6285 -16.5910 -16.5910 -4.9506 -4.9506 -4.7297 -4.7297 -3.0453 -3.0453 -2.7919 -2.7919 -2.6599 -2.6599 -2.5401 -2.5401 -1.9103 -1.9103 -1.7190 -1.7190 -1.6322 -1.6322 -1.5530 -1.5530 -1.3622 -1.3622 -1.2612 -1.2612 5.1508 5.1508 5.8810 5.8810 k = 0.4359-0.3889 0.0000 ( 10852 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6349 -18.6349 -18.5314 -18.5314 -16.6279 -16.6279 -16.5907 -16.5907 -4.9508 -4.9508 -4.7298 -4.7298 -3.0561 -3.0561 -2.8298 -2.8298 -2.6636 -2.6636 -2.5220 -2.5220 -1.8991 -1.8991 -1.7138 -1.7138 -1.6231 -1.6231 -1.5369 -1.5369 -1.3613 -1.3613 -1.2616 -1.2616 5.1347 5.1347 5.8825 5.8825 k = 0.4231-0.3775 0.0000 ( 10858 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6358 -18.6358 -18.5312 -18.5312 -16.6272 -16.6272 -16.5902 -16.5902 -4.9510 -4.9510 -4.7298 -4.7298 -3.0687 -3.0687 -2.8685 -2.8685 -2.6683 -2.6683 -2.5073 -2.5073 -1.8853 -1.8853 -1.7060 -1.7060 -1.6123 -1.6123 -1.5187 -1.5187 -1.3601 -1.3601 -1.2620 -1.2620 5.1154 5.1154 5.8842 5.8842 k = 0.4103-0.3661 0.0000 ( 10856 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6367 -18.6367 -18.5308 -18.5308 -16.6263 -16.6263 -16.5896 -16.5896 -4.9513 -4.9513 -4.7298 -4.7298 -3.0828 -3.0828 -2.9079 -2.9079 -2.6742 -2.6742 -2.4961 -2.4961 -1.8690 -1.8690 -1.6955 -1.6955 -1.6002 -1.6002 -1.4990 -1.4990 -1.3588 -1.3588 -1.2624 -1.2624 5.0930 5.0930 5.8861 5.8861 k = 0.3974-0.3546 0.0000 ( 10848 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6379 -18.6379 -18.5304 -18.5304 -16.6254 -16.6254 -16.5890 -16.5890 -4.9516 -4.9516 -4.7298 -4.7298 -3.0982 -3.0982 -2.9475 -2.9475 -2.6812 -2.6812 -2.4885 -2.4885 -1.8504 -1.8504 -1.6823 -1.6823 -1.5868 -1.5868 -1.4781 -1.4781 -1.3571 -1.3571 -1.2629 -1.2629 5.0677 5.0677 5.8884 5.8884 k = 0.3846-0.3432 0.0000 ( 10851 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6391 -18.6391 -18.5300 -18.5300 -16.6243 -16.6243 -16.5883 -16.5883 -4.9520 -4.9520 -4.7298 -4.7298 -3.1145 -3.1145 -2.9872 -2.9872 -2.6893 -2.6893 -2.4841 -2.4841 -1.8295 -1.8295 -1.6663 -1.6663 -1.5724 -1.5724 -1.4563 -1.4563 -1.3552 -1.3552 -1.2634 -1.2634 5.0397 5.0397 5.8909 5.8909 k = 0.3718-0.3317 0.0000 ( 10857 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6404 -18.6404 -18.5295 -18.5295 -16.6232 -16.6232 -16.5876 -16.5876 -4.9524 -4.9524 -4.7299 -4.7299 -3.1316 -3.1316 -3.0269 -3.0269 -2.6985 -2.6985 -2.4829 -2.4829 -1.8064 -1.8064 -1.6480 -1.6480 -1.5572 -1.5572 -1.4339 -1.4339 -1.3528 -1.3528 -1.2639 -1.2639 5.0093 5.0093 5.8937 5.8937 k = 0.3590-0.3203 0.0000 ( 10871 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6419 -18.6419 -18.5290 -18.5290 -16.6219 -16.6219 -16.5867 -16.5867 -4.9528 -4.9528 -4.7299 -4.7299 -3.1493 -3.1493 -3.0663 -3.0663 -2.7087 -2.7087 -2.4844 -2.4844 -1.7815 -1.7815 -1.6276 -1.6276 -1.5414 -1.5414 -1.4111 -1.4111 -1.3501 -1.3501 -1.2645 -1.2645 4.9766 4.9766 5.8966 5.8966 k = 0.3462-0.3089 0.0000 ( 10869 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6434 -18.6434 -18.5285 -18.5285 -16.6206 -16.6206 -16.5859 -16.5859 -4.9533 -4.9533 -4.7299 -4.7299 -3.1674 -3.1674 -3.1054 -3.1054 -2.7196 -2.7196 -2.4883 -2.4883 -1.7548 -1.7548 -1.6056 -1.6056 -1.5251 -1.5251 -1.3883 -1.3883 -1.3467 -1.3467 -1.2649 -1.2649 4.9420 4.9420 5.8998 5.8998 k = 0.3333-0.2974 0.0000 ( 10869 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6451 -18.6451 -18.5279 -18.5279 -16.6192 -16.6192 -16.5849 -16.5849 -4.9537 -4.9537 -4.7299 -4.7299 -3.1858 -3.1858 -3.1438 -3.1438 -2.7313 -2.7313 -2.4942 -2.4942 -1.7266 -1.7266 -1.5825 -1.5825 -1.5085 -1.5085 -1.3660 -1.3660 -1.3425 -1.3425 -1.2651 -1.2651 4.9057 4.9057 5.9031 5.9031 k = 0.3205-0.2860 0.0000 ( 10873 PWs) bands (ev): -43.4535 -43.4535 -43.4240 -43.4240 -18.6468 -18.6468 -18.5273 -18.5273 -16.6177 -16.6177 -16.5839 -16.5839 -4.9543 -4.9543 -4.7300 -4.7300 -3.2045 -3.2045 -3.1814 -3.1814 -2.7435 -2.7435 -2.5018 -2.5018 -1.6971 -1.6971 -1.5588 -1.5588 -1.4916 -1.4916 -1.3461 -1.3461 -1.3354 -1.3354 -1.2650 -1.2650 4.8679 4.8679 5.9066 5.9066 k = 0.3077-0.2745 0.0000 ( 10869 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6485 -18.6485 -18.5267 -18.5267 -16.6162 -16.6162 -16.5829 -16.5829 -4.9548 -4.9548 -4.7300 -4.7300 -3.2254 -3.2254 -3.2160 -3.2160 -2.7561 -2.7561 -2.5108 -2.5108 -1.6666 -1.6666 -1.5351 -1.5351 -1.4747 -1.4747 -1.3356 -1.3356 -1.3193 -1.3193 -1.2639 -1.2639 4.8289 4.8289 5.9103 5.9103 k = 0.2949-0.2631 0.0000 ( 10867 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6504 -18.6504 -18.5260 -18.5260 -16.6147 -16.6147 -16.5819 -16.5819 -4.9554 -4.9554 -4.7300 -4.7300 -3.2572 -3.2572 -3.2387 -3.2387 -2.7689 -2.7689 -2.5208 -2.5208 -1.6353 -1.6353 -1.5120 -1.5120 -1.4578 -1.4578 -1.3282 -1.3282 -1.3015 -1.3015 -1.2603 -1.2603 4.7890 4.7890 5.9140 5.9140 k = 0.2821-0.2517 0.0000 ( 10857 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6522 -18.6522 -18.5254 -18.5254 -16.6131 -16.6131 -16.5808 -16.5808 -4.9559 -4.9559 -4.7301 -4.7301 -3.2921 -3.2921 -3.2571 -3.2571 -2.7818 -2.7818 -2.5315 -2.5315 -1.6034 -1.6034 -1.4899 -1.4899 -1.4410 -1.4410 -1.3199 -1.3199 -1.2889 -1.2889 -1.2514 -1.2514 4.7484 4.7484 5.9178 5.9178 k = 0.2692-0.2402 0.0000 ( 10857 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6541 -18.6541 -18.5247 -18.5247 -16.6115 -16.6115 -16.5797 -16.5797 -4.9565 -4.9565 -4.7301 -4.7301 -3.3264 -3.3264 -3.2748 -3.2748 -2.7948 -2.7948 -2.5429 -2.5429 -1.5712 -1.5712 -1.4696 -1.4696 -1.4243 -1.4243 -1.3101 -1.3101 -1.2830 -1.2830 -1.2359 -1.2359 4.7073 4.7073 5.9217 5.9217 k = 0.2564-0.2288 0.0000 ( 10857 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6560 -18.6560 -18.5240 -18.5240 -16.6099 -16.6099 -16.5786 -16.5786 -4.9572 -4.9572 -4.7301 -4.7301 -3.3597 -3.3597 -3.2919 -3.2919 -2.8076 -2.8076 -2.5546 -2.5546 -1.5389 -1.5389 -1.4515 -1.4515 -1.4079 -1.4079 -1.2985 -1.2985 -1.2806 -1.2806 -1.2172 -1.2172 4.6660 4.6660 5.9255 5.9255 k = 0.2436-0.2173 0.0000 ( 10847 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6579 -18.6579 -18.5234 -18.5234 -16.6083 -16.6083 -16.5775 -16.5775 -4.9578 -4.9578 -4.7302 -4.7302 -3.3918 -3.3918 -3.3086 -3.3086 -2.8202 -2.8202 -2.5665 -2.5665 -1.5069 -1.5069 -1.4359 -1.4359 -1.3918 -1.3918 -1.2872 -1.2872 -1.2774 -1.2774 -1.1975 -1.1975 4.6248 4.6248 5.9294 5.9294 k = 0.2308-0.2059 0.0000 ( 10847 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6598 -18.6598 -18.5227 -18.5227 -16.6066 -16.6066 -16.5764 -16.5764 -4.9584 -4.9584 -4.7302 -4.7302 -3.4227 -3.4227 -3.3247 -3.3247 -2.8325 -2.8325 -2.5783 -2.5783 -1.4755 -1.4755 -1.4226 -1.4226 -1.3761 -1.3761 -1.2835 -1.2835 -1.2650 -1.2650 -1.1779 -1.1779 4.5839 4.5839 5.9333 5.9333 k = 0.2179-0.1945 0.0000 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6617 -18.6617 -18.5220 -18.5220 -16.6051 -16.6051 -16.5753 -16.5753 -4.9590 -4.9590 -4.7302 -4.7302 -3.4523 -3.4523 -3.3402 -3.3402 -2.8444 -2.8444 -2.5901 -2.5901 -1.4453 -1.4453 -1.4112 -1.4112 -1.3606 -1.3606 -1.2834 -1.2834 -1.2476 -1.2476 -1.1587 -1.1587 4.5435 4.5435 5.9371 5.9371 k = 0.2051-0.1830 0.0000 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6635 -18.6635 -18.5214 -18.5214 -16.6035 -16.6035 -16.5742 -16.5742 -4.9596 -4.9596 -4.7303 -4.7303 -3.4806 -3.4806 -3.3550 -3.3550 -2.8559 -2.8559 -2.6017 -2.6017 -1.4180 -1.4180 -1.4003 -1.4003 -1.3451 -1.3451 -1.2838 -1.2838 -1.2286 -1.2286 -1.1403 -1.1403 4.5039 4.5039 5.9409 5.9409 k = 0.1923-0.1716 0.0000 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4238 -43.4238 -18.6653 -18.6653 -18.5207 -18.5207 -16.6020 -16.6020 -16.5732 -16.5732 -4.9603 -4.9603 -4.7303 -4.7303 -3.5074 -3.5074 -3.3691 -3.3691 -2.8669 -2.8669 -2.6129 -2.6129 -1.4006 -1.4006 -1.3832 -1.3832 -1.3292 -1.3292 -1.2842 -1.2842 -1.2087 -1.2087 -1.1227 -1.1227 4.4653 4.4653 5.9445 5.9445 k = 0.1795-0.1601 0.0000 ( 10857 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6670 -18.6670 -18.5201 -18.5201 -16.6005 -16.6005 -16.5721 -16.5721 -4.9609 -4.9609 -4.7303 -4.7303 -3.5327 -3.5327 -3.3825 -3.3825 -2.8773 -2.8773 -2.6237 -2.6237 -1.3924 -1.3924 -1.3610 -1.3610 -1.3129 -1.3129 -1.2838 -1.2838 -1.1887 -1.1887 -1.1060 -1.1060 4.4279 4.4279 5.9481 5.9481 k = 0.1667-0.1487 0.0000 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6687 -18.6687 -18.5195 -18.5195 -16.5991 -16.5991 -16.5711 -16.5711 -4.9615 -4.9615 -4.7304 -4.7304 -3.5565 -3.5565 -3.3952 -3.3952 -2.8872 -2.8872 -2.6340 -2.6340 -1.3867 -1.3867 -1.3411 -1.3411 -1.2989 -1.2989 -1.2793 -1.2793 -1.1688 -1.1688 -1.0903 -1.0903 4.3919 4.3919 5.9515 5.9515 k = 0.1538-0.1373 0.0000 ( 10853 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6703 -18.6703 -18.5189 -18.5189 -16.5978 -16.5978 -16.5702 -16.5702 -4.9620 -4.9620 -4.7304 -4.7304 -3.5787 -3.5787 -3.4070 -3.4070 -2.8963 -2.8963 -2.6438 -2.6438 -1.3821 -1.3821 -1.3247 -1.3247 -1.2937 -1.2937 -1.2641 -1.2641 -1.1494 -1.1494 -1.0758 -1.0758 4.3576 4.3576 5.9547 5.9547 k = 0.1410-0.1258 0.0000 ( 10859 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6718 -18.6718 -18.5184 -18.5184 -16.5965 -16.5965 -16.5693 -16.5693 -4.9626 -4.9626 -4.7304 -4.7304 -3.5993 -3.5993 -3.4180 -3.4180 -2.9049 -2.9049 -2.6530 -2.6530 -1.3783 -1.3783 -1.3112 -1.3112 -1.2932 -1.2932 -1.2435 -1.2435 -1.1307 -1.1307 -1.0624 -1.0624 4.3252 4.3252 5.9577 5.9577 k = 0.1282-0.1144 0.0000 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6732 -18.6732 -18.5179 -18.5179 -16.5953 -16.5953 -16.5685 -16.5685 -4.9631 -4.9631 -4.7305 -4.7305 -3.6183 -3.6183 -3.4281 -3.4281 -2.9127 -2.9127 -2.6615 -2.6615 -1.3749 -1.3749 -1.2999 -1.2999 -1.2937 -1.2937 -1.2221 -1.2221 -1.1129 -1.1129 -1.0503 -1.0503 4.2949 4.2949 5.9606 5.9606 k = 0.1154-0.1030 0.0000 ( 10857 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6745 -18.6745 -18.5174 -18.5174 -16.5942 -16.5942 -16.5677 -16.5677 -4.9636 -4.9636 -4.7305 -4.7305 -3.6355 -3.6355 -3.4374 -3.4374 -2.9199 -2.9199 -2.6693 -2.6693 -1.3720 -1.3720 -1.2947 -1.2947 -1.2899 -1.2899 -1.2013 -1.2013 -1.0962 -1.0962 -1.0395 -1.0395 4.2668 4.2668 5.9632 5.9632 k = 0.1026-0.0915 0.0000 ( 10847 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6757 -18.6757 -18.5170 -18.5170 -16.5932 -16.5932 -16.5670 -16.5670 -4.9640 -4.9640 -4.7305 -4.7305 -3.6510 -3.6510 -3.4457 -3.4457 -2.9263 -2.9263 -2.6764 -2.6764 -1.3695 -1.3695 -1.2956 -1.2956 -1.2816 -1.2816 -1.1819 -1.1819 -1.0807 -1.0807 -1.0300 -1.0300 4.2411 4.2411 5.9656 5.9656 k = 0.0897-0.0801 0.0000 ( 10851 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6767 -18.6767 -18.5166 -18.5166 -16.5923 -16.5923 -16.5664 -16.5664 -4.9644 -4.9644 -4.7305 -4.7305 -3.6647 -3.6647 -3.4532 -3.4532 -2.9320 -2.9320 -2.6827 -2.6827 -1.3673 -1.3673 -1.2965 -1.2965 -1.2743 -1.2743 -1.1641 -1.1641 -1.0665 -1.0665 -1.0219 -1.0219 4.2181 4.2181 5.9677 5.9677 k = 0.0769-0.0686 0.0000 ( 10849 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6776 -18.6776 -18.5162 -18.5162 -16.5916 -16.5916 -16.5658 -16.5658 -4.9647 -4.9647 -4.7306 -4.7306 -3.6767 -3.6767 -3.4596 -3.4596 -2.9369 -2.9369 -2.6882 -2.6882 -1.3654 -1.3654 -1.2974 -1.2974 -1.2681 -1.2681 -1.1483 -1.1483 -1.0535 -1.0535 -1.0152 -1.0152 4.1978 4.1978 5.9696 5.9696 k = 0.0641-0.0572 0.0000 ( 10857 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6784 -18.6784 -18.5159 -18.5159 -16.5909 -16.5909 -16.5654 -16.5654 -4.9650 -4.9650 -4.7306 -4.7306 -3.6869 -3.6869 -3.4651 -3.4651 -2.9411 -2.9411 -2.6929 -2.6929 -1.3638 -1.3638 -1.2982 -1.2982 -1.2629 -1.2629 -1.1346 -1.1346 -1.0420 -1.0420 -1.0100 -1.0100 4.1804 4.1804 5.9712 5.9712 k = 0.0513-0.0458 0.0000 ( 10859 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6791 -18.6791 -18.5157 -18.5157 -16.5903 -16.5903 -16.5650 -16.5650 -4.9653 -4.9653 -4.7306 -4.7306 -3.6952 -3.6952 -3.4696 -3.4696 -2.9445 -2.9445 -2.6968 -2.6968 -1.3625 -1.3625 -1.2988 -1.2988 -1.2587 -1.2587 -1.1233 -1.1233 -1.0320 -1.0320 -1.0063 -1.0063 4.1659 4.1659 5.9725 5.9725 k = 0.0385-0.0343 0.0000 ( 10865 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6796 -18.6796 -18.5155 -18.5155 -16.5899 -16.5899 -16.5647 -16.5647 -4.9655 -4.9655 -4.7306 -4.7306 -3.7017 -3.7017 -3.4731 -3.4731 -2.9472 -2.9472 -2.6998 -2.6998 -1.3614 -1.3614 -1.2994 -1.2994 -1.2554 -1.2554 -1.1143 -1.1143 -1.0234 -1.0234 -1.0040 -1.0040 4.1546 4.1546 5.9736 5.9736 k = 0.0256-0.0229 0.0000 ( 10861 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6800 -18.6800 -18.5154 -18.5154 -16.5896 -16.5896 -16.5644 -16.5644 -4.9656 -4.9656 -4.7306 -4.7306 -3.7063 -3.7063 -3.4757 -3.4757 -2.9491 -2.9491 -2.7020 -2.7020 -1.3607 -1.3607 -1.2998 -1.2998 -1.2531 -1.2531 -1.1079 -1.1079 -1.0164 -1.0164 -1.0033 -1.0033 4.1465 4.1465 5.9743 5.9743 k = 0.0128-0.0114 0.0000 ( 10877 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6802 -18.6802 -18.5153 -18.5153 -16.5894 -16.5894 -16.5643 -16.5643 -4.9657 -4.9657 -4.7306 -4.7306 -3.7091 -3.7091 -3.4772 -3.4772 -2.9503 -2.9503 -2.7033 -2.7033 -1.3602 -1.3602 -1.3001 -1.3001 -1.2517 -1.2517 -1.1040 -1.1040 -1.0111 -1.0111 -1.0040 -1.0040 4.1416 4.1416 5.9748 5.9748 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6803 -18.6803 -18.5153 -18.5153 -16.5893 -16.5893 -16.5643 -16.5643 -4.9657 -4.9657 -4.7306 -4.7306 -3.7101 -3.7101 -3.4777 -3.4777 -2.9507 -2.9507 -2.7038 -2.7038 -1.3601 -1.3601 -1.3002 -1.3002 -1.2512 -1.2512 -1.1027 -1.1027 -1.0082 -1.0082 -1.0053 -1.0053 4.1399 4.1399 5.9749 5.9749 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6803 -18.6803 -18.5153 -18.5153 -16.5893 -16.5893 -16.5643 -16.5643 -4.9657 -4.9657 -4.7306 -4.7306 -3.7101 -3.7101 -3.4777 -3.4777 -2.9507 -2.9507 -2.7038 -2.7038 -1.3601 -1.3601 -1.3002 -1.3002 -1.2512 -1.2512 -1.1027 -1.1027 -1.0082 -1.0082 -1.0053 -1.0053 4.1399 4.1399 5.9749 5.9749 k = 0.0167 0.0019-0.0046 ( 10870 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6802 -18.6802 -18.5154 -18.5154 -16.5894 -16.5894 -16.5643 -16.5643 -4.9656 -4.9656 -4.7307 -4.7307 -3.7091 -3.7091 -3.4771 -3.4771 -2.9503 -2.9503 -2.7040 -2.7040 -1.3601 -1.3601 -1.3005 -1.3005 -1.2511 -1.2511 -1.1037 -1.1037 -1.0102 -1.0102 -1.0048 -1.0048 4.1417 4.1417 5.9741 5.9741 k = 0.0333 0.0038-0.0093 ( 10861 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6798 -18.6798 -18.5156 -18.5156 -16.5894 -16.5894 -16.5645 -16.5645 -4.9653 -4.9653 -4.7308 -4.7308 -3.7064 -3.7064 -3.4753 -3.4753 -2.9493 -2.9493 -2.7046 -2.7046 -1.3601 -1.3601 -1.3013 -1.3013 -1.2507 -1.2507 -1.1067 -1.1067 -1.0144 -1.0144 -1.0052 -1.0052 4.1471 4.1471 5.9715 5.9715 k = 0.0500 0.0057-0.0139 ( 10861 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6792 -18.6792 -18.5160 -18.5160 -16.5895 -16.5895 -16.5648 -16.5648 -4.9648 -4.9648 -4.7310 -4.7310 -3.7019 -3.7019 -3.4723 -3.4723 -2.9477 -2.9477 -2.7055 -2.7055 -1.3601 -1.3601 -1.3028 -1.3028 -1.2503 -1.2503 -1.1121 -1.1121 -1.0194 -1.0194 -1.0072 -1.0072 4.1559 4.1559 5.9672 5.9672 k = 0.0667 0.0076-0.0185 ( 10869 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6784 -18.6784 -18.5166 -18.5166 -16.5896 -16.5896 -16.5653 -16.5653 -4.9641 -4.9641 -4.7312 -4.7312 -3.6957 -3.6957 -3.4679 -3.4679 -2.9458 -2.9458 -2.7065 -2.7065 -1.3601 -1.3601 -1.3046 -1.3046 -1.2500 -1.2500 -1.1206 -1.1206 -1.0246 -1.0246 -1.0108 -1.0108 4.1682 4.1682 5.9612 5.9612 k = 0.0833 0.0095-0.0232 ( 10860 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6774 -18.6774 -18.5173 -18.5173 -16.5898 -16.5898 -16.5658 -16.5658 -4.9632 -4.9632 -4.7316 -4.7316 -3.6879 -3.6879 -3.4622 -3.4622 -2.9438 -2.9438 -2.7074 -2.7074 -1.3602 -1.3602 -1.3069 -1.3069 -1.2499 -1.2499 -1.1325 -1.1325 -1.0293 -1.0293 -1.0158 -1.0158 4.1839 4.1839 5.9535 5.9535 k = 0.1000 0.0114-0.0278 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6762 -18.6762 -18.5183 -18.5183 -16.5900 -16.5900 -16.5665 -16.5665 -4.9622 -4.9622 -4.7320 -4.7320 -3.6786 -3.6786 -3.4549 -3.4549 -2.9422 -2.9422 -2.7078 -2.7078 -1.3602 -1.3602 -1.3095 -1.3095 -1.2504 -1.2504 -1.1480 -1.1480 -1.0330 -1.0330 -1.0222 -1.0222 4.2028 4.2028 5.9442 5.9442 k = 0.1167 0.0133-0.0324 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6747 -18.6747 -18.5193 -18.5193 -16.5902 -16.5902 -16.5673 -16.5673 -4.9609 -4.9609 -4.7325 -4.7325 -3.6680 -3.6680 -3.4460 -3.4460 -2.9412 -2.9412 -2.7072 -2.7072 -1.3604 -1.3604 -1.3124 -1.3124 -1.2520 -1.2520 -1.1670 -1.1670 -1.0357 -1.0357 -1.0295 -1.0295 4.2248 4.2248 5.9331 5.9331 k = 0.1333 0.0152-0.0370 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6730 -18.6730 -18.5206 -18.5206 -16.5905 -16.5905 -16.5682 -16.5682 -4.9595 -4.9595 -4.7330 -4.7330 -3.6562 -3.6562 -3.4353 -3.4353 -2.9413 -2.9413 -2.7054 -2.7054 -1.3607 -1.3607 -1.3157 -1.3157 -1.2557 -1.2557 -1.1881 -1.1881 -1.0399 -1.0399 -1.0352 -1.0352 4.2499 4.2499 5.9205 5.9205 k = 0.1500 0.0171-0.0417 ( 10864 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6712 -18.6712 -18.5219 -18.5219 -16.5907 -16.5907 -16.5691 -16.5691 -4.9580 -4.9580 -4.7336 -4.7336 -3.6435 -3.6435 -3.4225 -3.4225 -2.9430 -2.9430 -2.7019 -2.7019 -1.3612 -1.3612 -1.3195 -1.3195 -1.2636 -1.2636 -1.2090 -1.2090 -1.0485 -1.0485 -1.0363 -1.0363 4.2777 4.2777 5.9063 5.9063 k = 0.1667 0.0190-0.0463 ( 10865 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6691 -18.6691 -18.5235 -18.5235 -16.5910 -16.5910 -16.5702 -16.5702 -4.9563 -4.9563 -4.7343 -4.7343 -3.6300 -3.6300 -3.4076 -3.4076 -2.9466 -2.9466 -2.6965 -2.6965 -1.3619 -1.3619 -1.3245 -1.3245 -1.2787 -1.2787 -1.2257 -1.2257 -1.0581 -1.0581 -1.0360 -1.0360 4.3082 4.3082 5.8905 5.8905 k = 0.1833 0.0209-0.0509 ( 10860 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6669 -18.6669 -18.5252 -18.5252 -16.5913 -16.5913 -16.5713 -16.5713 -4.9546 -4.9546 -4.7350 -4.7350 -3.6159 -3.6159 -3.3904 -3.3904 -2.9522 -2.9522 -2.6890 -2.6890 -1.3631 -1.3631 -1.3332 -1.3332 -1.2995 -1.2995 -1.2366 -1.2366 -1.0680 -1.0680 -1.0349 -1.0349 4.3412 4.3412 5.8731 5.8731 k = 0.2000 0.0229-0.0556 ( 10857 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6645 -18.6645 -18.5270 -18.5270 -16.5916 -16.5916 -16.5725 -16.5725 -4.9527 -4.9527 -4.7357 -4.7357 -3.6014 -3.6014 -3.3707 -3.3707 -2.9600 -2.9600 -2.6794 -2.6794 -1.3654 -1.3654 -1.3531 -1.3531 -1.3154 -1.3154 -1.2445 -1.2445 -1.0778 -1.0778 -1.0334 -1.0334 4.3765 4.3765 5.8541 5.8541 k = 0.2167 0.0248-0.0602 ( 10855 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6619 -18.6619 -18.5289 -18.5289 -16.5919 -16.5919 -16.5737 -16.5737 -4.9508 -4.9508 -4.7365 -4.7365 -3.5867 -3.5867 -3.3485 -3.3485 -2.9698 -2.9698 -2.6680 -2.6680 -1.3872 -1.3872 -1.3665 -1.3665 -1.3229 -1.3229 -1.2516 -1.2516 -1.0871 -1.0871 -1.0315 -1.0315 4.4138 4.4138 5.8337 5.8337 k = 0.2333 0.0267-0.0648 ( 10857 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6592 -18.6592 -18.5310 -18.5310 -16.5922 -16.5922 -16.5750 -16.5750 -4.9489 -4.9489 -4.7373 -4.7373 -3.5719 -3.5719 -3.3239 -3.3239 -2.9814 -2.9814 -2.6551 -2.6551 -1.4249 -1.4249 -1.3705 -1.3705 -1.3274 -1.3274 -1.2588 -1.2588 -1.0956 -1.0956 -1.0293 -1.0293 4.4530 4.4530 5.8117 5.8117 k = 0.2500 0.0286-0.0695 ( 10860 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6564 -18.6564 -18.5333 -18.5333 -16.5925 -16.5925 -16.5763 -16.5763 -4.9469 -4.9469 -4.7382 -4.7382 -3.5569 -3.5569 -3.2968 -3.2968 -2.9945 -2.9945 -2.6410 -2.6410 -1.4656 -1.4656 -1.3760 -1.3760 -1.3307 -1.3307 -1.2662 -1.2662 -1.1033 -1.1033 -1.0268 -1.0268 4.4938 4.4938 5.7883 5.7883 k = 0.2667 0.0305-0.0741 ( 10864 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6534 -18.6534 -18.5356 -18.5356 -16.5928 -16.5928 -16.5776 -16.5776 -4.9449 -4.9449 -4.7390 -4.7390 -3.5418 -3.5418 -3.2676 -3.2676 -3.0088 -3.0088 -2.6262 -2.6262 -1.5077 -1.5077 -1.3835 -1.3835 -1.3332 -1.3332 -1.2738 -1.2738 -1.1099 -1.1099 -1.0242 -1.0242 4.5361 4.5361 5.7634 5.7634 k = 0.2833 0.0324-0.0787 ( 10856 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6504 -18.6504 -18.5380 -18.5380 -16.5931 -16.5931 -16.5789 -16.5789 -4.9429 -4.9429 -4.7399 -4.7399 -3.5266 -3.5266 -3.2366 -3.2366 -3.0238 -3.0238 -2.6112 -2.6112 -1.5506 -1.5506 -1.3933 -1.3933 -1.3350 -1.3350 -1.2810 -1.2810 -1.1156 -1.1156 -1.0215 -1.0215 4.5795 4.5795 5.7371 5.7371 k = 0.3000 0.0343-0.0833 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4238 -43.4238 -18.6472 -18.6472 -18.5405 -18.5405 -16.5933 -16.5933 -16.5802 -16.5802 -4.9410 -4.9410 -4.7407 -4.7407 -3.5112 -3.5112 -3.2047 -3.2047 -3.0386 -3.0386 -2.5966 -2.5966 -1.5935 -1.5935 -1.4056 -1.4056 -1.3363 -1.3363 -1.2877 -1.2877 -1.1203 -1.1203 -1.0188 -1.0188 4.6240 4.6240 5.7094 5.7094 k = 0.3167 0.0362-0.0880 ( 10852 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6441 -18.6441 -18.5431 -18.5431 -16.5935 -16.5935 -16.5815 -16.5815 -4.9391 -4.9391 -4.7416 -4.7416 -3.4956 -3.4956 -3.1735 -3.1735 -3.0514 -3.0514 -2.5831 -2.5831 -1.6358 -1.6358 -1.4201 -1.4201 -1.3371 -1.3371 -1.2937 -1.2937 -1.1242 -1.1242 -1.0161 -1.0161 4.6692 4.6692 5.6804 5.6804 k = 0.3333 0.0381-0.0926 ( 10852 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6409 -18.6409 -18.5457 -18.5457 -16.5937 -16.5937 -16.5827 -16.5827 -4.9373 -4.9373 -4.7424 -4.7424 -3.4797 -3.4797 -3.1484 -3.1484 -3.0571 -3.0571 -2.5712 -2.5712 -1.6768 -1.6768 -1.4365 -1.4365 -1.3376 -1.3376 -1.2987 -1.2987 -1.1274 -1.1274 -1.0135 -1.0135 4.7148 4.7148 5.6502 5.6502 k = 0.3500 0.0400-0.0972 ( 10851 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6377 -18.6377 -18.5484 -18.5484 -16.5938 -16.5938 -16.5839 -16.5839 -4.9356 -4.9356 -4.7431 -4.7431 -3.4635 -3.4635 -3.1390 -3.1390 -3.0460 -3.0460 -2.5618 -2.5618 -1.7158 -1.7158 -1.4542 -1.4542 -1.3379 -1.3379 -1.3030 -1.3030 -1.1300 -1.1300 -1.0110 -1.0110 4.7607 4.7607 5.6188 5.6188 k = 0.3667 0.0419-0.1019 ( 10851 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6346 -18.6346 -18.5510 -18.5510 -16.5939 -16.5939 -16.5851 -16.5851 -4.9340 -4.9340 -4.7439 -4.7439 -3.4470 -3.4470 -3.1462 -3.1462 -3.0175 -3.0175 -2.5557 -2.5557 -1.7520 -1.7520 -1.4727 -1.4727 -1.3379 -1.3379 -1.3066 -1.3066 -1.1322 -1.1322 -1.0087 -1.0087 4.8064 4.8064 5.5865 5.5865 k = 0.3833 0.0438-0.1065 ( 10852 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6316 -18.6316 -18.5536 -18.5536 -16.5939 -16.5939 -16.5862 -16.5862 -4.9325 -4.9325 -4.7445 -4.7445 -3.4301 -3.4301 -3.1612 -3.1612 -2.9806 -2.9806 -2.5537 -2.5537 -1.7846 -1.7846 -1.4913 -1.4913 -1.3379 -1.3379 -1.3096 -1.3096 -1.1339 -1.1339 -1.0065 -1.0065 4.8516 4.8516 5.5535 5.5535 k = 0.4000 0.0457-0.1111 ( 10852 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6287 -18.6287 -18.5561 -18.5561 -16.5938 -16.5938 -16.5873 -16.5873 -4.9312 -4.9312 -4.7451 -4.7451 -3.4127 -3.4127 -3.1790 -3.1790 -2.9403 -2.9403 -2.5566 -2.5566 -1.8130 -1.8130 -1.5094 -1.5094 -1.3378 -1.3378 -1.3121 -1.3121 -1.1352 -1.1352 -1.0046 -1.0046 4.8958 4.8958 5.5202 5.5202 k = 0.4167 0.0476-0.1158 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6260 -18.6260 -18.5584 -18.5584 -16.5937 -16.5937 -16.5882 -16.5882 -4.9301 -4.9301 -4.7457 -4.7457 -3.3950 -3.3950 -3.1982 -3.1982 -2.8985 -2.8985 -2.5648 -2.5648 -1.8367 -1.8367 -1.5264 -1.5264 -1.3376 -1.3376 -1.3142 -1.3142 -1.1363 -1.1363 -1.0029 -1.0029 4.9383 4.9383 5.4870 5.4870 k = 0.4333 0.0495-0.1204 ( 10846 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6237 -18.6237 -18.5605 -18.5605 -16.5935 -16.5935 -16.5892 -16.5892 -4.9292 -4.9292 -4.7461 -4.7461 -3.3769 -3.3769 -3.2179 -3.2179 -2.8563 -2.8563 -2.5786 -2.5786 -1.8556 -1.8556 -1.5416 -1.5416 -1.3374 -1.3374 -1.3158 -1.3158 -1.1372 -1.1372 -1.0015 -1.0015 4.9782 4.9782 5.4549 5.4549 k = 0.4500 0.0514-0.1250 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6217 -18.6217 -18.5622 -18.5622 -16.5933 -16.5933 -16.5900 -16.5900 -4.9284 -4.9284 -4.7465 -4.7465 -3.3585 -3.3585 -3.2378 -3.2378 -2.8147 -2.8147 -2.5979 -2.5979 -1.8696 -1.8696 -1.5542 -1.5542 -1.3372 -1.3372 -1.3170 -1.3170 -1.1378 -1.1378 -1.0004 -1.0004 5.0141 5.0141 5.4251 5.4251 k = 0.4667 0.0533-0.1296 ( 10849 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6202 -18.6202 -18.5636 -18.5636 -16.5929 -16.5929 -16.5907 -16.5907 -4.9279 -4.9279 -4.7467 -4.7467 -3.3400 -3.3400 -3.2574 -3.2574 -2.7749 -2.7749 -2.6217 -2.6217 -1.8791 -1.8791 -1.5638 -1.5638 -1.3370 -1.3370 -1.3179 -1.3179 -1.1382 -1.1382 -0.9996 -0.9996 5.0438 5.0438 5.4000 5.4000 k = 0.4833 0.0552-0.1343 ( 10854 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6192 -18.6192 -18.5644 -18.5644 -16.5925 -16.5925 -16.5914 -16.5914 -4.9275 -4.9275 -4.7469 -4.7469 -3.3221 -3.3221 -3.2761 -3.2761 -2.7393 -2.7393 -2.6477 -2.6477 -1.8846 -1.8846 -1.5698 -1.5698 -1.3369 -1.3369 -1.3184 -1.3184 -1.1385 -1.1385 -0.9991 -0.9991 5.0639 5.0639 5.3825 5.3825 k = 0.5000 0.0571-0.1389 ( 10854 PWs) bands (ev): -43.4536 -43.4536 -43.4239 -43.4239 -18.6189 -18.6189 -18.5647 -18.5647 -16.5922 -16.5922 -16.5918 -16.5918 -4.9274 -4.9274 -4.7469 -4.7469 -3.3109 -3.3109 -3.2876 -3.2876 -2.7203 -2.7203 -2.6635 -2.6635 -1.8863 -1.8863 -1.5719 -1.5719 -1.3369 -1.3369 -1.3186 -1.3186 -1.1386 -1.1386 -0.9989 -0.9989 5.0712 5.0712 5.3761 5.3761 k = 0.5000 0.0571 0.7861 ( 10840 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3496 -18.3496 -18.2690 -18.2690 -16.5015 -16.5015 -16.4943 -16.4943 -6.5683 -6.5683 -6.4741 -6.4741 -3.1148 -3.1148 -2.8632 -2.8632 -2.8440 -2.8440 -2.3252 -2.3252 -2.2095 -2.2095 -2.1490 -2.1490 -1.6651 -1.6651 -1.6452 -1.6452 -1.1890 -1.1890 -1.1581 -1.1581 7.6424 7.6424 8.8256 8.8256 k = 0.4906 0.0560 0.7713 ( 10838 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3499 -18.3499 -18.2692 -18.2692 -16.5016 -16.5016 -16.4943 -16.4943 -6.5669 -6.5669 -6.4729 -6.4729 -3.1158 -3.1158 -2.8641 -2.8641 -2.8434 -2.8434 -2.3258 -2.3258 -2.2093 -2.2093 -2.1487 -2.1487 -1.6644 -1.6644 -1.6443 -1.6443 -1.1890 -1.1890 -1.1578 -1.1578 7.6407 7.6407 8.8167 8.8167 k = 0.4811 0.0550 0.7564 ( 10843 PWs) bands (ev): -43.4474 -43.4474 -43.4181 -43.4181 -18.3509 -18.3509 -18.2698 -18.2698 -16.5019 -16.5019 -16.4944 -16.4944 -6.5628 -6.5628 -6.4691 -6.4691 -3.1186 -3.1186 -2.8667 -2.8667 -2.8415 -2.8415 -2.3274 -2.3274 -2.2088 -2.2088 -2.1480 -2.1480 -1.6620 -1.6620 -1.6416 -1.6416 -1.1888 -1.1888 -1.1572 -1.1572 7.6355 7.6355 8.7929 8.7929 k = 0.4717 0.0539 0.7416 ( 10849 PWs) bands (ev): -43.4475 -43.4475 -43.4182 -43.4182 -18.3526 -18.3526 -18.2709 -18.2709 -16.5024 -16.5024 -16.4946 -16.4946 -6.5558 -6.5558 -6.4628 -6.4628 -3.1233 -3.1233 -2.8710 -2.8710 -2.8386 -2.8386 -2.3302 -2.3302 -2.2080 -2.2080 -2.1466 -2.1466 -1.6582 -1.6582 -1.6371 -1.6371 -1.1886 -1.1886 -1.1561 -1.1561 7.6266 7.6266 8.7595 8.7595 k = 0.4623 0.0528 0.7268 ( 10850 PWs) bands (ev): -43.4475 -43.4475 -43.4182 -43.4182 -18.3548 -18.3548 -18.2724 -18.2724 -16.5031 -16.5031 -16.4948 -16.4948 -6.5461 -6.5461 -6.4539 -6.4539 -3.1296 -3.1296 -2.8770 -2.8770 -2.8348 -2.8348 -2.3342 -2.3342 -2.2067 -2.2067 -2.1445 -2.1445 -1.6530 -1.6530 -1.6309 -1.6309 -1.1883 -1.1883 -1.1546 -1.1546 7.6134 7.6134 8.7209 8.7209 k = 0.4528 0.0517 0.7119 ( 10846 PWs) bands (ev): -43.4475 -43.4475 -43.4182 -43.4182 -18.3577 -18.3577 -18.2743 -18.2743 -16.5040 -16.5040 -16.4952 -16.4952 -6.5336 -6.5336 -6.4426 -6.4426 -3.1376 -3.1376 -2.8847 -2.8847 -2.8302 -2.8302 -2.3393 -2.3393 -2.2050 -2.2050 -2.1414 -2.1414 -1.6464 -1.6464 -1.6232 -1.6232 -1.1877 -1.1877 -1.1527 -1.1527 7.5956 7.5956 8.6801 8.6801 k = 0.4434 0.0507 0.6971 ( 10844 PWs) bands (ev): -43.4476 -43.4476 -43.4183 -43.4183 -18.3612 -18.3612 -18.2766 -18.2766 -16.5050 -16.5050 -16.4956 -16.4956 -6.5184 -6.5184 -6.4289 -6.4289 -3.1469 -3.1469 -2.8939 -2.8939 -2.8249 -2.8249 -2.3456 -2.3456 -2.2027 -2.2027 -2.1373 -2.1373 -1.6386 -1.6386 -1.6140 -1.6140 -1.1871 -1.1871 -1.1505 -1.1505 7.5723 7.5723 8.6390 8.6390 k = 0.4340 0.0496 0.6823 ( 10846 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3653 -18.3653 -18.2793 -18.2793 -16.5062 -16.5062 -16.4961 -16.4961 -6.5006 -6.5006 -6.4127 -6.4127 -3.1574 -3.1574 -2.9047 -2.9047 -2.8193 -2.8193 -2.3531 -2.3531 -2.1997 -2.1997 -2.1321 -2.1321 -1.6297 -1.6297 -1.6036 -1.6036 -1.1862 -1.1862 -1.1480 -1.1480 7.5431 7.5431 8.5991 8.5991 k = 0.4245 0.0485 0.6674 ( 10843 PWs) bands (ev): -43.4477 -43.4477 -43.4184 -43.4184 -18.3700 -18.3700 -18.2825 -18.2825 -16.5075 -16.5075 -16.4968 -16.4968 -6.4801 -6.4801 -6.3941 -6.3941 -3.1690 -3.1690 -2.9171 -2.9171 -2.8133 -2.8133 -2.3617 -2.3617 -2.1958 -2.1958 -2.1256 -2.1256 -1.6198 -1.6198 -1.5920 -1.5920 -1.1851 -1.1851 -1.1452 -1.1452 7.5072 7.5072 8.5613 8.5613 k = 0.4151 0.0474 0.6526 ( 10846 PWs) bands (ev): -43.4478 -43.4478 -43.4185 -43.4185 -18.3752 -18.3752 -18.2860 -18.2860 -16.5090 -16.5090 -16.4976 -16.4976 -6.4571 -6.4571 -6.3732 -6.3732 -3.1816 -3.1816 -2.9310 -2.9310 -2.8072 -2.8072 -2.3714 -2.3714 -2.1908 -2.1908 -2.1179 -2.1179 -1.6090 -1.6090 -1.5794 -1.5794 -1.1838 -1.1838 -1.1422 -1.1422 7.4644 7.4644 8.5260 8.5260 k = 0.4057 0.0463 0.6378 ( 10853 PWs) bands (ev): -43.4479 -43.4479 -43.4186 -43.4186 -18.3809 -18.3809 -18.2899 -18.2899 -16.5106 -16.5106 -16.4984 -16.4984 -6.4315 -6.4315 -6.3501 -6.3501 -3.1950 -3.1950 -2.9463 -2.9463 -2.8011 -2.8011 -2.3821 -2.3821 -2.1846 -2.1846 -2.1089 -2.1089 -1.5975 -1.5975 -1.5659 -1.5659 -1.1823 -1.1823 -1.1390 -1.1390 7.4143 7.4143 8.4935 8.4935 k = 0.3962 0.0453 0.6229 ( 10856 PWs) bands (ev): -43.4481 -43.4481 -43.4187 -43.4187 -18.3871 -18.3871 -18.2942 -18.2942 -16.5122 -16.5122 -16.4994 -16.4994 -6.4035 -6.4035 -6.3247 -6.3247 -3.2090 -3.2090 -2.9630 -2.9630 -2.7952 -2.7952 -2.3936 -2.3936 -2.1771 -2.1771 -2.0986 -2.0986 -1.5855 -1.5855 -1.5516 -1.5516 -1.1805 -1.1805 -1.1356 -1.1356 7.3571 7.3571 8.4632 8.4632 k = 0.3868 0.0442 0.6081 ( 10855 PWs) bands (ev): -43.4482 -43.4482 -43.4188 -43.4188 -18.3938 -18.3938 -18.2988 -18.2988 -16.5140 -16.5140 -16.5005 -16.5005 -6.3731 -6.3731 -6.2971 -6.2971 -3.2237 -3.2237 -2.9809 -2.9809 -2.7896 -2.7896 -2.4059 -2.4059 -2.1682 -2.1682 -2.0871 -2.0871 -1.5729 -1.5729 -1.5367 -1.5367 -1.1785 -1.1785 -1.1320 -1.1320 7.2929 7.2929 8.4344 8.4344 k = 0.3774 0.0431 0.5933 ( 10856 PWs) bands (ev): -43.4483 -43.4483 -43.4189 -43.4189 -18.4010 -18.4010 -18.3038 -18.3038 -16.5159 -16.5159 -16.5017 -16.5017 -6.3405 -6.3405 -6.2675 -6.2675 -3.2387 -3.2387 -3.0000 -3.0000 -2.7844 -2.7844 -2.4187 -2.4187 -2.1578 -2.1578 -2.0744 -2.0744 -1.5599 -1.5599 -1.5213 -1.5213 -1.1762 -1.1762 -1.1282 -1.1282 7.2223 7.2223 8.4062 8.4062 k = 0.3679 0.0420 0.5785 ( 10851 PWs) bands (ev): -43.4484 -43.4484 -43.4190 -43.4190 -18.4085 -18.4085 -18.3091 -18.3091 -16.5179 -16.5179 -16.5031 -16.5031 -6.3056 -6.3056 -6.2359 -6.2359 -3.2542 -3.2542 -3.0202 -3.0202 -2.7797 -2.7797 -2.4321 -2.4321 -2.1460 -2.1460 -2.0604 -2.0604 -1.5467 -1.5467 -1.5055 -1.5055 -1.1737 -1.1737 -1.1244 -1.1244 7.1458 7.1458 8.3772 8.3772 k = 0.3585 0.0410 0.5636 ( 10838 PWs) bands (ev): -43.4486 -43.4486 -43.4192 -43.4192 -18.4164 -18.4164 -18.3146 -18.3146 -16.5200 -16.5200 -16.5045 -16.5045 -6.2686 -6.2686 -6.2023 -6.2023 -3.2698 -3.2698 -3.0413 -3.0413 -2.7756 -2.7756 -2.4458 -2.4458 -2.1326 -2.1326 -2.0453 -2.0453 -1.5334 -1.5334 -1.4893 -1.4893 -1.1709 -1.1709 -1.1204 -1.1204 7.0641 7.0641 8.3463 8.3463 k = 0.3491 0.0399 0.5488 ( 10835 PWs) bands (ev): -43.4487 -43.4487 -43.4193 -43.4193 -18.4247 -18.4247 -18.3205 -18.3205 -16.5222 -16.5222 -16.5060 -16.5060 -6.2297 -6.2297 -6.1669 -6.1669 -3.2857 -3.2857 -3.0633 -3.0633 -2.7722 -2.7722 -2.4597 -2.4597 -2.1177 -2.1177 -2.0290 -2.0290 -1.5199 -1.5199 -1.4729 -1.4729 -1.1679 -1.1679 -1.1164 -1.1164 6.9779 6.9779 8.3121 8.3121 k = 0.3396 0.0388 0.5340 ( 10834 PWs) bands (ev): -43.4489 -43.4489 -43.4194 -43.4194 -18.4332 -18.4332 -18.3266 -18.3266 -16.5244 -16.5244 -16.5076 -16.5076 -6.1889 -6.1889 -6.1297 -6.1297 -3.3016 -3.3016 -3.0860 -3.0860 -2.7697 -2.7697 -2.4736 -2.4736 -2.1014 -2.1014 -2.0115 -2.0115 -1.5064 -1.5064 -1.4563 -1.4563 -1.1646 -1.1646 -1.1122 -1.1122 6.8876 6.8876 8.2737 8.2737 k = 0.3302 0.0377 0.5191 ( 10830 PWs) bands (ev): -43.4490 -43.4490 -43.4196 -43.4196 -18.4421 -18.4421 -18.3330 -18.3330 -16.5267 -16.5267 -16.5093 -16.5093 -6.1465 -6.1465 -6.0908 -6.0908 -3.3174 -3.3174 -3.1093 -3.1093 -2.7680 -2.7680 -2.4876 -2.4876 -2.0837 -2.0837 -1.9930 -1.9930 -1.4930 -1.4930 -1.4396 -1.4396 -1.1611 -1.1611 -1.1081 -1.1081 6.7940 6.7940 8.2303 8.2303 k = 0.3208 0.0366 0.5043 ( 10832 PWs) bands (ev): -43.4492 -43.4492 -43.4197 -43.4197 -18.4511 -18.4511 -18.3396 -18.3396 -16.5290 -16.5290 -16.5111 -16.5111 -6.1024 -6.1024 -6.0502 -6.0502 -3.3332 -3.3332 -3.1331 -3.1331 -2.7672 -2.7672 -2.5014 -2.5014 -2.0647 -2.0647 -1.9733 -1.9733 -1.4798 -1.4798 -1.4229 -1.4229 -1.1574 -1.1574 -1.1039 -1.1039 6.6976 6.6976 8.1814 8.1814 k = 0.3113 0.0356 0.4895 ( 10838 PWs) bands (ev): -43.4494 -43.4494 -43.4199 -43.4199 -18.4604 -18.4604 -18.3463 -18.3463 -16.5314 -16.5314 -16.5129 -16.5129 -6.0571 -6.0571 -6.0081 -6.0081 -3.3488 -3.3488 -3.1573 -3.1573 -2.7673 -2.7673 -2.5150 -2.5150 -2.0443 -2.0443 -1.9527 -1.9527 -1.4667 -1.4667 -1.4062 -1.4062 -1.1535 -1.1535 -1.0997 -1.0997 6.5988 6.5988 8.1270 8.1270 k = 0.3019 0.0345 0.4746 ( 10840 PWs) bands (ev): -43.4496 -43.4496 -43.4200 -43.4200 -18.4699 -18.4699 -18.3533 -18.3533 -16.5339 -16.5339 -16.5149 -16.5149 -6.0105 -6.0105 -5.9645 -5.9645 -3.3641 -3.3641 -3.1817 -3.1817 -2.7684 -2.7684 -2.5282 -2.5282 -2.0228 -2.0228 -1.9311 -1.9311 -1.4538 -1.4538 -1.3896 -1.3896 -1.1493 -1.1493 -1.0954 -1.0954 6.4981 6.4981 8.0669 8.0669 k = 0.2925 0.0334 0.4598 ( 10846 PWs) bands (ev): -43.4497 -43.4497 -43.4202 -43.4202 -18.4794 -18.4794 -18.3603 -18.3603 -16.5363 -16.5363 -16.5168 -16.5168 -5.9631 -5.9631 -5.9194 -5.9194 -3.3792 -3.3792 -3.2064 -3.2064 -2.7704 -2.7704 -2.5411 -2.5411 -2.0001 -2.0001 -1.9085 -1.9085 -1.4412 -1.4412 -1.3731 -1.3731 -1.1450 -1.1450 -1.0912 -1.0912 6.3959 6.3959 8.0014 8.0014 k = 0.2830 0.0323 0.4450 ( 10843 PWs) bands (ev): -43.4499 -43.4499 -43.4204 -43.4204 -18.4891 -18.4891 -18.3675 -18.3675 -16.5388 -16.5388 -16.5189 -16.5189 -5.9151 -5.9151 -5.8728 -5.8728 -3.3938 -3.3938 -3.2311 -3.2311 -2.7734 -2.7734 -2.5535 -2.5535 -1.9763 -1.9763 -1.8852 -1.8852 -1.4289 -1.4289 -1.3568 -1.3568 -1.1405 -1.1405 -1.0870 -1.0870 6.2927 6.2927 7.9309 7.9309 k = 0.2736 0.0313 0.4301 ( 10837 PWs) bands (ev): -43.4501 -43.4501 -43.4205 -43.4205 -18.4988 -18.4988 -18.3748 -18.3748 -16.5414 -16.5414 -16.5210 -16.5210 -5.8667 -5.8667 -5.8249 -5.8249 -3.4080 -3.4080 -3.2557 -3.2557 -2.7773 -2.7773 -2.5653 -2.5653 -1.9517 -1.9517 -1.8611 -1.8611 -1.4170 -1.4170 -1.3407 -1.3407 -1.1359 -1.1359 -1.0828 -1.0828 6.1886 6.1886 7.8559 7.8559 k = 0.2642 0.0302 0.4153 ( 10834 PWs) bands (ev): -43.4503 -43.4503 -43.4207 -43.4207 -18.5086 -18.5086 -18.3821 -18.3821 -16.5439 -16.5439 -16.5231 -16.5231 -5.8181 -5.8181 -5.7755 -5.7755 -3.4216 -3.4216 -3.2802 -3.2802 -2.7821 -2.7821 -2.5767 -2.5767 -1.9261 -1.9261 -1.8364 -1.8364 -1.4054 -1.4054 -1.3250 -1.3250 -1.1311 -1.1311 -1.0786 -1.0786 6.0841 6.0841 7.7769 7.7769 k = 0.2547 0.0291 0.4005 ( 10839 PWs) bands (ev): -43.4505 -43.4505 -43.4209 -43.4209 -18.5183 -18.5183 -18.3894 -18.3894 -16.5464 -16.5464 -16.5252 -16.5252 -5.7697 -5.7697 -5.7249 -5.7249 -3.4348 -3.4348 -3.3043 -3.3043 -2.7877 -2.7877 -2.5874 -2.5874 -1.8999 -1.8999 -1.8110 -1.8110 -1.3942 -1.3942 -1.3095 -1.3095 -1.1261 -1.1261 -1.0745 -1.0745 5.9794 5.9794 7.6943 7.6943 k = 0.2453 0.0280 0.3856 ( 10838 PWs) bands (ev): -43.4507 -43.4507 -43.4210 -43.4210 -18.5281 -18.5281 -18.3968 -18.3968 -16.5489 -16.5489 -16.5274 -16.5274 -5.7216 -5.7216 -5.6733 -5.6733 -3.4474 -3.4474 -3.3281 -3.3281 -2.7940 -2.7940 -2.5975 -2.5975 -1.8731 -1.8731 -1.7852 -1.7852 -1.3834 -1.3834 -1.2944 -1.2944 -1.1211 -1.1211 -1.0704 -1.0704 5.8749 5.8749 7.6089 7.6089 k = 0.2358 0.0269 0.3708 ( 10839 PWs) bands (ev): -43.4509 -43.4509 -43.4212 -43.4212 -18.5377 -18.5377 -18.4041 -18.4041 -16.5514 -16.5514 -16.5295 -16.5295 -5.6738 -5.6738 -5.6208 -5.6208 -3.4595 -3.4595 -3.3513 -3.3513 -2.8009 -2.8009 -2.6071 -2.6071 -1.8457 -1.8457 -1.7590 -1.7590 -1.3730 -1.3730 -1.2796 -1.2796 -1.1160 -1.1160 -1.0664 -1.0664 5.7709 5.7709 7.5212 7.5212 k = 0.2264 0.0259 0.3560 ( 10834 PWs) bands (ev): -43.4510 -43.4510 -43.4213 -43.4213 -18.5473 -18.5473 -18.4114 -18.4114 -16.5539 -16.5539 -16.5317 -16.5317 -5.6266 -5.6266 -5.5678 -5.5678 -3.4710 -3.4710 -3.3738 -3.3738 -2.8084 -2.8084 -2.6160 -2.6160 -1.8180 -1.8180 -1.7324 -1.7324 -1.3630 -1.3630 -1.2653 -1.2653 -1.1107 -1.1107 -1.0624 -1.0624 5.6676 5.6676 7.4317 7.4317 k = 0.2170 0.0248 0.3411 ( 10831 PWs) bands (ev): -43.4512 -43.4512 -43.4215 -43.4215 -18.5567 -18.5567 -18.4186 -18.4186 -16.5564 -16.5564 -16.5339 -16.5339 -5.5799 -5.5799 -5.5146 -5.5146 -3.4821 -3.4821 -3.3954 -3.3954 -2.8164 -2.8164 -2.6244 -2.6244 -1.7900 -1.7900 -1.7058 -1.7058 -1.3535 -1.3535 -1.2515 -1.2515 -1.1055 -1.1055 -1.0585 -1.0585 5.5653 5.5653 7.3411 7.3411 k = 0.2075 0.0237 0.3263 ( 10832 PWs) bands (ev): -43.4514 -43.4514 -43.4217 -43.4217 -18.5659 -18.5659 -18.4257 -18.4257 -16.5588 -16.5588 -16.5360 -16.5360 -5.5339 -5.5339 -5.4612 -5.4612 -3.4930 -3.4930 -3.4158 -3.4158 -2.8247 -2.8247 -2.6323 -2.6323 -1.7619 -1.7619 -1.6790 -1.6790 -1.3444 -1.3444 -1.2381 -1.2381 -1.1002 -1.1002 -1.0547 -1.0547 5.4643 5.4643 7.2499 7.2499 k = 0.1981 0.0226 0.3115 ( 10832 PWs) bands (ev): -43.4516 -43.4516 -43.4218 -43.4218 -18.5750 -18.5750 -18.4327 -18.4327 -16.5612 -16.5612 -16.5382 -16.5382 -5.4888 -5.4888 -5.4082 -5.4082 -3.5039 -3.5039 -3.4345 -3.4345 -2.8332 -2.8332 -2.6396 -2.6396 -1.7338 -1.7338 -1.6523 -1.6523 -1.3358 -1.3358 -1.2253 -1.2253 -1.0948 -1.0948 -1.0509 -1.0509 5.3649 5.3649 7.1586 7.1586 k = 0.1887 0.0216 0.2966 ( 10835 PWs) bands (ev): -43.4518 -43.4518 -43.4220 -43.4220 -18.5838 -18.5838 -18.4395 -18.4395 -16.5635 -16.5635 -16.5403 -16.5403 -5.4447 -5.4447 -5.3556 -5.3556 -3.5153 -3.5153 -3.4513 -3.4513 -2.8418 -2.8418 -2.6464 -2.6464 -1.7058 -1.7058 -1.6257 -1.6257 -1.3276 -1.3276 -1.2130 -1.2130 -1.0895 -1.0895 -1.0472 -1.0472 5.2674 5.2674 7.0678 7.0678 k = 0.1792 0.0205 0.2818 ( 10835 PWs) bands (ev): -43.4519 -43.4519 -43.4221 -43.4221 -18.5924 -18.5924 -18.4461 -18.4461 -16.5658 -16.5658 -16.5423 -16.5423 -5.4018 -5.4018 -5.3037 -5.3037 -3.5275 -3.5275 -3.4654 -3.4654 -2.8505 -2.8505 -2.6528 -2.6528 -1.6780 -1.6780 -1.5993 -1.5993 -1.3199 -1.3199 -1.2013 -1.2013 -1.0842 -1.0842 -1.0435 -1.0435 5.1719 5.1719 6.9780 6.9780 k = 0.1698 0.0194 0.2670 ( 10835 PWs) bands (ev): -43.4521 -43.4521 -43.4223 -43.4223 -18.6007 -18.6007 -18.4526 -18.4526 -16.5680 -16.5680 -16.5443 -16.5443 -5.3601 -5.3601 -5.2528 -5.2528 -3.5407 -3.5407 -3.4767 -3.4767 -2.8592 -2.8592 -2.6587 -2.6587 -1.6507 -1.6507 -1.5734 -1.5734 -1.3126 -1.3126 -1.1902 -1.1902 -1.0789 -1.0789 -1.0400 -1.0400 5.0789 5.0789 6.8896 6.8896 k = 0.1604 0.0183 0.2521 ( 10838 PWs) bands (ev): -43.4523 -43.4523 -43.4224 -43.4224 -18.6087 -18.6087 -18.4588 -18.4588 -16.5701 -16.5701 -16.5462 -16.5462 -5.3199 -5.3199 -5.2031 -5.2031 -3.5549 -3.5549 -3.4852 -3.4852 -2.8678 -2.8678 -2.6642 -2.6642 -1.6239 -1.6239 -1.5480 -1.5480 -1.3057 -1.3057 -1.1797 -1.1797 -1.0736 -1.0736 -1.0365 -1.0365 4.9887 4.9887 6.8030 6.8030 k = 0.1509 0.0172 0.2373 ( 10838 PWs) bands (ev): -43.4524 -43.4524 -43.4226 -43.4226 -18.6164 -18.6164 -18.4648 -18.4648 -16.5721 -16.5721 -16.5481 -16.5481 -5.2814 -5.2814 -5.1548 -5.1548 -3.5697 -3.5697 -3.4914 -3.4914 -2.8762 -2.8762 -2.6692 -2.6692 -1.5977 -1.5977 -1.5231 -1.5231 -1.2992 -1.2992 -1.1699 -1.1699 -1.0683 -1.0683 -1.0331 -1.0331 4.9014 4.9014 6.7189 6.7189 k = 0.1415 0.0162 0.2225 ( 10831 PWs) bands (ev): -43.4526 -43.4526 -43.4227 -43.4227 -18.6237 -18.6237 -18.4706 -18.4706 -16.5741 -16.5741 -16.5499 -16.5499 -5.2446 -5.2446 -5.1082 -5.1082 -3.5846 -3.5846 -3.4955 -3.4955 -2.8843 -2.8843 -2.6739 -2.6739 -1.5722 -1.5722 -1.4991 -1.4991 -1.2932 -1.2932 -1.1608 -1.1608 -1.0632 -1.0632 -1.0298 -1.0298 4.8174 4.8174 6.6375 6.6375 k = 0.1321 0.0151 0.2076 ( 10836 PWs) bands (ev): -43.4527 -43.4527 -43.4228 -43.4228 -18.6306 -18.6306 -18.4760 -18.4760 -16.5759 -16.5759 -16.5517 -16.5517 -5.2097 -5.2097 -5.0634 -5.0634 -3.5993 -3.5993 -3.4980 -3.4980 -2.8921 -2.8921 -2.6781 -2.6781 -1.5477 -1.5477 -1.4759 -1.4759 -1.2876 -1.2876 -1.1524 -1.1524 -1.0580 -1.0580 -1.0266 -1.0266 4.7369 4.7369 6.5592 6.5592 k = 0.1226 0.0140 0.1928 ( 10836 PWs) bands (ev): -43.4528 -43.4528 -43.4230 -43.4230 -18.6372 -18.6372 -18.4812 -18.4812 -16.5777 -16.5777 -16.5533 -16.5533 -5.1768 -5.1768 -5.0207 -5.0207 -3.6135 -3.6135 -3.4991 -3.4991 -2.8996 -2.8996 -2.6820 -2.6820 -1.5242 -1.5242 -1.4536 -1.4536 -1.2824 -1.2824 -1.1447 -1.1447 -1.0530 -1.0530 -1.0235 -1.0235 4.6604 4.6604 6.4846 6.4846 k = 0.1132 0.0129 0.1780 ( 10844 PWs) bands (ev): -43.4530 -43.4530 -43.4231 -43.4231 -18.6434 -18.6434 -18.4860 -18.4860 -16.5793 -16.5793 -16.5548 -16.5548 -5.1461 -5.1461 -4.9803 -4.9803 -3.6270 -3.6270 -3.4992 -3.4992 -2.9067 -2.9067 -2.6855 -2.6855 -1.5019 -1.5019 -1.4325 -1.4325 -1.2776 -1.2776 -1.1377 -1.1377 -1.0481 -1.0481 -1.0206 -1.0206 4.5881 4.5881 6.4138 6.4138 k = 0.1038 0.0119 0.1632 ( 10847 PWs) bands (ev): -43.4531 -43.4531 -43.4232 -43.4232 -18.6491 -18.6491 -18.4906 -18.4906 -16.5809 -16.5809 -16.5563 -16.5563 -5.1177 -5.1177 -4.9424 -4.9424 -3.6397 -3.6397 -3.4984 -3.4984 -2.9134 -2.9134 -2.6887 -2.6887 -1.4807 -1.4807 -1.4126 -1.4126 -1.2733 -1.2733 -1.1315 -1.1315 -1.0432 -1.0432 -1.0179 -1.0179 4.5202 4.5202 6.3474 6.3474 k = 0.0943 0.0108 0.1483 ( 10846 PWs) bands (ev): -43.4532 -43.4532 -43.4233 -43.4233 -18.6544 -18.6544 -18.4947 -18.4947 -16.5823 -16.5823 -16.5576 -16.5576 -5.0915 -5.0915 -4.9071 -4.9071 -3.6516 -3.6516 -3.4969 -3.4969 -2.9196 -2.9196 -2.6915 -2.6915 -1.4610 -1.4610 -1.3941 -1.3941 -1.2693 -1.2693 -1.1259 -1.1259 -1.0386 -1.0386 -1.0153 -1.0153 4.4570 4.4570 6.2855 6.2855 k = 0.0849 0.0097 0.1335 ( 10851 PWs) bands (ev): -43.4533 -43.4533 -43.4234 -43.4234 -18.6592 -18.6592 -18.4985 -18.4985 -16.5836 -16.5836 -16.5588 -16.5588 -5.0677 -5.0677 -4.8747 -4.8747 -3.6624 -3.6624 -3.4948 -3.4948 -2.9253 -2.9253 -2.6939 -2.6939 -1.4427 -1.4427 -1.3769 -1.3769 -1.2658 -1.2658 -1.1211 -1.1211 -1.0340 -1.0340 -1.0129 -1.0129 4.3989 4.3989 6.2286 6.2286 k = 0.0755 0.0086 0.1187 ( 10849 PWs) bands (ev): -43.4534 -43.4534 -43.4234 -43.4234 -18.6636 -18.6636 -18.5020 -18.5020 -16.5848 -16.5848 -16.5600 -16.5600 -5.0464 -5.0464 -4.8452 -4.8452 -3.6722 -3.6722 -3.4924 -3.4924 -2.9305 -2.9305 -2.6961 -2.6961 -1.4261 -1.4261 -1.3613 -1.3613 -1.2626 -1.2626 -1.1169 -1.1169 -1.0297 -1.0297 -1.0108 -1.0108 4.3461 4.3461 6.1768 6.1768 k = 0.0660 0.0075 0.1038 ( 10854 PWs) bands (ev): -43.4535 -43.4535 -43.4235 -43.4235 -18.6674 -18.6674 -18.5051 -18.5051 -16.5858 -16.5858 -16.5609 -16.5609 -5.0275 -5.0275 -4.8189 -4.8189 -3.6810 -3.6810 -3.4898 -3.4898 -2.9351 -2.9351 -2.6980 -2.6980 -1.4111 -1.4111 -1.3474 -1.3474 -1.2598 -1.2598 -1.1133 -1.1133 -1.0257 -1.0257 -1.0090 -1.0090 4.2989 4.2989 6.1305 6.1305 k = 0.0566 0.0065 0.0890 ( 10856 PWs) bands (ev): -43.4536 -43.4536 -43.4236 -43.4236 -18.6708 -18.6708 -18.5078 -18.5078 -16.5868 -16.5868 -16.5618 -16.5618 -5.0111 -5.0111 -4.7958 -4.7958 -3.6886 -3.6886 -3.4871 -3.4871 -2.9392 -2.9392 -2.6996 -2.6996 -1.3979 -1.3979 -1.3351 -1.3351 -1.2575 -1.2575 -1.1103 -1.1103 -1.0219 -1.0219 -1.0074 -1.0074 4.2574 4.2574 6.0899 6.0899 k = 0.0472 0.0054 0.0742 ( 10855 PWs) bands (ev): -43.4536 -43.4536 -43.4236 -43.4236 -18.6737 -18.6737 -18.5100 -18.5100 -16.5875 -16.5875 -16.5626 -16.5626 -4.9973 -4.9973 -4.7761 -4.7761 -3.6951 -3.6951 -3.4846 -3.4846 -2.9426 -2.9426 -2.7009 -2.7009 -1.3865 -1.3865 -1.3246 -1.3246 -1.2555 -1.2555 -1.1079 -1.1079 -1.0184 -1.0184 -1.0063 -1.0063 4.2219 4.2219 6.0551 6.0551 k = 0.0377 0.0043 0.0593 ( 10854 PWs) bands (ev): -43.4537 -43.4537 -43.4237 -43.4237 -18.6761 -18.6761 -18.5119 -18.5119 -16.5882 -16.5882 -16.5632 -16.5632 -4.9859 -4.9859 -4.7598 -4.7598 -3.7005 -3.7005 -3.4823 -3.4823 -2.9455 -2.9455 -2.7019 -2.7019 -1.3771 -1.3771 -1.3159 -1.3159 -1.2539 -1.2539 -1.1060 -1.1060 -1.0153 -1.0153 -1.0054 -1.0054 4.1926 4.1926 6.0265 6.0265 k = 0.0283 0.0032 0.0445 ( 10859 PWs) bands (ev): -43.4537 -43.4537 -43.4237 -43.4237 -18.6779 -18.6779 -18.5134 -18.5134 -16.5887 -16.5887 -16.5636 -16.5636 -4.9771 -4.9771 -4.7471 -4.7471 -3.7047 -3.7047 -3.4803 -3.4803 -2.9477 -2.9477 -2.7027 -2.7027 -1.3697 -1.3697 -1.3090 -1.3090 -1.2527 -1.2527 -1.1045 -1.1045 -1.0127 -1.0127 -1.0050 -1.0050 4.1697 4.1697 6.0040 6.0040 k = 0.0189 0.0022 0.0297 ( 10862 PWs) bands (ev): -43.4537 -43.4537 -43.4237 -43.4237 -18.6792 -18.6792 -18.5144 -18.5144 -16.5890 -16.5890 -16.5640 -16.5640 -4.9708 -4.9708 -4.7379 -4.7379 -3.7077 -3.7077 -3.4789 -3.4789 -2.9494 -2.9494 -2.7033 -2.7033 -1.3644 -1.3644 -1.3041 -1.3041 -1.2519 -1.2519 -1.1035 -1.1035 -1.0105 -1.0105 -1.0049 -1.0049 4.1532 4.1532 5.9879 5.9879 k = 0.0094 0.0011 0.0148 ( 10872 PWs) bands (ev): -43.4537 -43.4537 -43.4238 -43.4238 -18.6800 -18.6800 -18.5151 -18.5151 -16.5893 -16.5893 -16.5642 -16.5642 -4.9670 -4.9670 -4.7325 -4.7325 -3.7095 -3.7095 -3.4780 -3.4780 -2.9503 -2.9503 -2.7037 -2.7037 -1.3612 -1.3612 -1.3012 -1.3012 -1.2514 -1.2514 -1.1029 -1.1029 -1.0089 -1.0089 -1.0051 -1.0051 4.1433 4.1433 5.9782 5.9782 k = 0.0000 0.0000 0.0000 ( 10873 PWs) bands (ev): -43.4538 -43.4538 -43.4238 -43.4238 -18.6803 -18.6803 -18.5153 -18.5153 -16.5893 -16.5893 -16.5643 -16.5643 -4.9657 -4.9657 -4.7306 -4.7306 -3.7101 -3.7101 -3.4777 -3.4777 -2.9507 -2.9507 -2.7038 -2.7038 -1.3601 -1.3601 -1.3002 -1.3002 -1.2512 -1.2512 -1.1027 -1.1027 -1.0082 -1.0082 -1.0053 -1.0053 4.1399 4.1399 5.9749 5.9749 Writing output data file LiHO2.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 234.97s CPU 237.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 234.96s CPU 237.34s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s 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 0.11s WALL ( 355 calls) cegterg : 210.96s CPU 212.53s WALL ( 469 calls) Called by sum_band: Called by *egterg: h_psi : 163.53s CPU 164.68s WALL ( 7781 calls) s_psi : 2.90s CPU 3.01s WALL ( 7781 calls) g_psi : 0.46s CPU 0.49s WALL ( 6957 calls) cdiaghg : 39.60s CPU 40.04s WALL ( 7312 calls) cegterg:over : 8.80s CPU 8.77s WALL ( 6957 calls) cegterg:upda : 9.42s CPU 9.54s WALL ( 6957 calls) cegterg:last : 4.05s CPU 4.01s WALL ( 1180 calls) cdiaghg:chol : 2.25s CPU 2.33s WALL ( 7312 calls) cdiaghg:inve : 1.32s CPU 1.30s WALL ( 7312 calls) cdiaghg:para : 2.27s CPU 2.23s WALL ( 14624 calls) Called by h_psi: h_psi:vloc : 154.90s CPU 155.94s WALL ( 7781 calls) h_psi:vnl : 8.20s CPU 8.27s WALL ( 7781 calls) add_vuspsi : 3.34s CPU 3.43s WALL ( 7781 calls) General routines calbec : 4.82s CPU 4.81s WALL ( 7781 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 146.36s CPU 147.15s WALL ( 649696 calls) davcio : 0.26s CPU 0.40s WALL ( 710 calls) Parallel routines fft_scatter : 44.36s CPU 44.75s WALL ( 649711 calls) PWSCF : 4m19.35s CPU 4m39.52s WALL This run was terminated on: 20: 1:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=