Program PWSCF v.5.4.0 starts on 22Mar2017 at 2:58:19 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CrI2.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 18 5 894 894 132 Max 19 19 6 904 904 139 Sum 1331 1331 371 64727 64727 9671 bravais-lattice index = 14 lattice parameter (alat) = 7.9224 a.u. unit-cell volume = 669.0906 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.922425 celldm(2)= 1.000000 celldm(3)= 1.767498 celldm(4)= 0.358386 celldm(5)= 0.358386 celldm(6)= 0.552763 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.552763 0.833339 0.000000 ) a(3) = ( 0.633446 0.339959 1.614690 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.663311 -0.252648 ) b(2) = ( 0.000000 1.199993 -0.252648 ) b(3) = ( 0.000000 0.000000 0.619314 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) I 7.00 126.90450 I( 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= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0106383 0.0057094 -0.0053755), wk = 0.0026525 k( 3) = ( 0.0212766 0.0114187 -0.0107510), wk = 0.0026525 k( 4) = ( 0.0319149 0.0171281 -0.0161265), wk = 0.0026525 k( 5) = ( 0.0425532 0.0228375 -0.0215019), wk = 0.0026525 k( 6) = ( 0.0531915 0.0285469 -0.0268774), wk = 0.0026525 k( 7) = ( 0.0638298 0.0342562 -0.0322529), wk = 0.0026525 k( 8) = ( 0.0744681 0.0399656 -0.0376284), wk = 0.0026525 k( 9) = ( 0.0851064 0.0456750 -0.0430039), wk = 0.0026525 k( 10) = ( 0.0957447 0.0513844 -0.0483794), wk = 0.0026525 k( 11) = ( 0.1063830 0.0570937 -0.0537549), wk = 0.0026525 k( 12) = ( 0.1170213 0.0628031 -0.0591303), wk = 0.0026525 k( 13) = ( 0.1276596 0.0685125 -0.0645058), wk = 0.0026525 k( 14) = ( 0.1382979 0.0742219 -0.0698813), wk = 0.0026525 k( 15) = ( 0.1489362 0.0799312 -0.0752568), wk = 0.0026525 k( 16) = ( 0.1595745 0.0856406 -0.0806323), wk = 0.0026525 k( 17) = ( 0.1702128 0.0913500 -0.0860078), wk = 0.0026525 k( 18) = ( 0.1808511 0.0970593 -0.0913833), wk = 0.0026525 k( 19) = ( 0.1914894 0.1027687 -0.0967587), wk = 0.0026525 k( 20) = ( 0.2021277 0.1084781 -0.1021342), wk = 0.0026525 k( 21) = ( 0.2127660 0.1141875 -0.1075097), wk = 0.0026525 k( 22) = ( 0.2234043 0.1198968 -0.1128852), wk = 0.0026525 k( 23) = ( 0.2340425 0.1256062 -0.1182607), wk = 0.0026525 k( 24) = ( 0.2446809 0.1313156 -0.1236362), wk = 0.0026525 k( 25) = ( 0.2553191 0.1370250 -0.1290117), wk = 0.0026525 k( 26) = ( 0.2659574 0.1427343 -0.1343871), wk = 0.0026525 k( 27) = ( 0.2765957 0.1484437 -0.1397626), wk = 0.0026525 k( 28) = ( 0.2872340 0.1541531 -0.1451381), wk = 0.0026525 k( 29) = ( 0.2978723 0.1598625 -0.1505136), wk = 0.0026525 k( 30) = ( 0.3085106 0.1655718 -0.1558891), wk = 0.0026525 k( 31) = ( 0.3191489 0.1712812 -0.1612646), wk = 0.0026525 k( 32) = ( 0.3297872 0.1769906 -0.1666401), wk = 0.0026525 k( 33) = ( 0.3404255 0.1826999 -0.1720155), wk = 0.0026525 k( 34) = ( 0.3510638 0.1884093 -0.1773910), wk = 0.0026525 k( 35) = ( 0.3617021 0.1941187 -0.1827665), wk = 0.0026525 k( 36) = ( 0.3723404 0.1998281 -0.1881420), wk = 0.0026525 k( 37) = ( 0.3829787 0.2055374 -0.1935175), wk = 0.0026525 k( 38) = ( 0.3936170 0.2112468 -0.1988930), wk = 0.0026525 k( 39) = ( 0.4042553 0.2169562 -0.2042685), wk = 0.0026525 k( 40) = ( 0.4148936 0.2226656 -0.2096439), wk = 0.0026525 k( 41) = ( 0.4255319 0.2283749 -0.2150194), wk = 0.0026525 k( 42) = ( 0.4361702 0.2340843 -0.2203949), wk = 0.0026525 k( 43) = ( 0.4468085 0.2397937 -0.2257704), wk = 0.0026525 k( 44) = ( 0.4574468 0.2455031 -0.2311459), wk = 0.0026525 k( 45) = ( 0.4680851 0.2512124 -0.2365214), wk = 0.0026525 k( 46) = ( 0.4787234 0.2569218 -0.2418968), wk = 0.0026525 k( 47) = ( 0.4893617 0.2626312 -0.2472723), wk = 0.0026525 k( 48) = ( 0.5000000 0.2683406 -0.2526478), wk = 0.0026525 k( 49) = ( 0.5000000 0.2683406 -0.2526478), wk = 0.0026525 k( 50) = ( 0.5044730 0.2707411 -0.2412460), wk = 0.0026525 k( 51) = ( 0.5089459 0.2731417 -0.2298441), wk = 0.0026525 k( 52) = ( 0.5134189 0.2755422 -0.2184423), wk = 0.0026525 k( 53) = ( 0.5178919 0.2779428 -0.2070405), wk = 0.0026525 k( 54) = ( 0.5223648 0.2803433 -0.1956386), wk = 0.0026525 k( 55) = ( 0.5223648 0.2803433 -0.1956386), wk = 0.0026525 k( 56) = ( 0.5212466 0.2797432 -0.1830062), wk = 0.0026525 k( 57) = ( 0.5201284 0.2791431 -0.1703738), wk = 0.0026525 k( 58) = ( 0.5190101 0.2785429 -0.1577414), wk = 0.0026525 k( 59) = ( 0.5178919 0.2779428 -0.1451091), wk = 0.0026525 k( 60) = ( 0.5167736 0.2773426 -0.1324767), wk = 0.0026525 k( 61) = ( 0.5156554 0.2767425 -0.1198443), wk = 0.0026525 k( 62) = ( 0.5145371 0.2761424 -0.1072119), wk = 0.0026525 k( 63) = ( 0.5134189 0.2755422 -0.0945795), wk = 0.0026525 k( 64) = ( 0.5123007 0.2749421 -0.0819471), wk = 0.0026525 k( 65) = ( 0.5111824 0.2743419 -0.0693147), wk = 0.0026525 k( 66) = ( 0.5100642 0.2737418 -0.0566823), wk = 0.0026525 k( 67) = ( 0.5089459 0.2731417 -0.0440499), wk = 0.0026525 k( 68) = ( 0.5078277 0.2725415 -0.0314175), wk = 0.0026525 k( 69) = ( 0.5067095 0.2719414 -0.0187851), wk = 0.0026525 k( 70) = ( 0.5055912 0.2713412 -0.0061527), wk = 0.0026525 k( 71) = ( 0.5044730 0.2707411 0.0064796), wk = 0.0026525 k( 72) = ( 0.5033547 0.2701410 0.0191120), wk = 0.0026525 k( 73) = ( 0.5022365 0.2695408 0.0317444), wk = 0.0026525 k( 74) = ( 0.5011182 0.2689407 0.0443768), wk = 0.0026525 k( 75) = ( 0.5000000 0.2683406 0.0570092), wk = 0.0026525 k( 76) = ( 0.5000000 0.2683406 0.0570092), wk = 0.0026525 k( 77) = ( 0.5062096 0.2567701 0.0570092), wk = 0.0026525 k( 78) = ( 0.5124193 0.2451996 0.0570092), wk = 0.0026525 k( 79) = ( 0.5186289 0.2336292 0.0570092), wk = 0.0026525 k( 80) = ( 0.5248386 0.2220587 0.0570092), wk = 0.0026525 k( 81) = ( 0.5310482 0.2104882 0.0570092), wk = 0.0026525 k( 82) = ( 0.5372579 0.1989178 0.0570092), wk = 0.0026525 k( 83) = ( 0.5434676 0.1873473 0.0570092), wk = 0.0026525 k( 84) = ( 0.5496772 0.1757768 0.0570092), wk = 0.0026525 k( 85) = ( 0.5558869 0.1642064 0.0570092), wk = 0.0026525 k( 86) = ( 0.5620965 0.1526359 0.0570092), wk = 0.0026525 k( 87) = ( 0.5683061 0.1410654 0.0570092), wk = 0.0026525 k( 88) = ( 0.5745158 0.1294950 0.0570092), wk = 0.0026525 k( 89) = ( 0.5807254 0.1179245 0.0570092), wk = 0.0026525 k( 90) = ( 0.5869351 0.1063540 0.0570092), wk = 0.0026525 k( 91) = ( 0.5931447 0.0947836 0.0570092), wk = 0.0026525 k( 92) = ( 0.5993544 0.0832131 0.0570092), wk = 0.0026525 k( 93) = ( 0.6055641 0.0716426 0.0570092), wk = 0.0026525 k( 94) = ( 0.6117737 0.0600722 0.0570092), wk = 0.0026525 k( 95) = ( 0.6179834 0.0485017 0.0570092), wk = 0.0026525 k( 96) = ( 0.6241930 0.0369312 0.0570092), wk = 0.0026525 k( 97) = ( 0.6304026 0.0253608 0.0570092), wk = 0.0026525 k( 98) = ( 0.6366123 0.0137903 0.0570092), wk = 0.0026525 k( 99) = ( 0.6428219 0.0022199 0.0570092), wk = 0.0026525 k( 100) = ( 0.6490316 -0.0093506 0.0570092), wk = 0.0026525 k( 101) = ( 0.6552412 -0.0209211 0.0570092), wk = 0.0026525 k( 102) = ( 0.6614509 -0.0324915 0.0570092), wk = 0.0026525 k( 103) = ( 0.6676605 -0.0440620 0.0570092), wk = 0.0026525 k( 104) = ( 0.6738702 -0.0556325 0.0570092), wk = 0.0026525 k( 105) = ( 0.6800798 -0.0672029 0.0570092), wk = 0.0026525 k( 106) = ( 0.6862895 -0.0787734 0.0570092), wk = 0.0026525 k( 107) = ( 0.6924991 -0.0903438 0.0570092), wk = 0.0026525 k( 108) = ( 0.6987088 -0.1019143 0.0570092), wk = 0.0026525 k( 109) = ( 0.3012912 -0.5613971 0.3096570), wk = 0.0026525 k( 110) = ( 0.2950143 -0.5497013 0.3096570), wk = 0.0026525 k( 111) = ( 0.2887374 -0.5380055 0.3096570), wk = 0.0026525 k( 112) = ( 0.2824605 -0.5263098 0.3096570), wk = 0.0026525 k( 113) = ( 0.2761836 -0.5146140 0.3096570), wk = 0.0026525 k( 114) = ( 0.2699067 -0.5029182 0.3096570), wk = 0.0026525 k( 115) = ( 0.2636298 -0.4912225 0.3096570), wk = 0.0026525 k( 116) = ( 0.2573529 -0.4795267 0.3096570), wk = 0.0026525 k( 117) = ( 0.2510760 -0.4678309 0.3096570), wk = 0.0026525 k( 118) = ( 0.2447991 -0.4561351 0.3096570), wk = 0.0026525 k( 119) = ( 0.2385222 -0.4444394 0.3096570), wk = 0.0026525 k( 120) = ( 0.2322453 -0.4327436 0.3096570), wk = 0.0026525 k( 121) = ( 0.2259684 -0.4210478 0.3096570), wk = 0.0026525 k( 122) = ( 0.2196915 -0.4093520 0.3096570), wk = 0.0026525 k( 123) = ( 0.2134146 -0.3976563 0.3096570), wk = 0.0026525 k( 124) = ( 0.2071377 -0.3859605 0.3096570), wk = 0.0026525 k( 125) = ( 0.2008608 -0.3742647 0.3096570), wk = 0.0026525 k( 126) = ( 0.1945839 -0.3625689 0.3096570), wk = 0.0026525 k( 127) = ( 0.1883070 -0.3508732 0.3096570), wk = 0.0026525 k( 128) = ( 0.1820301 -0.3391774 0.3096570), wk = 0.0026525 k( 129) = ( 0.1757532 -0.3274816 0.3096570), wk = 0.0026525 k( 130) = ( 0.1694763 -0.3157859 0.3096570), wk = 0.0026525 k( 131) = ( 0.1631994 -0.3040901 0.3096570), wk = 0.0026525 k( 132) = ( 0.1569225 -0.2923943 0.3096570), wk = 0.0026525 k( 133) = ( 0.1506456 -0.2806985 0.3096570), wk = 0.0026525 k( 134) = ( 0.1443687 -0.2690028 0.3096570), wk = 0.0026525 k( 135) = ( 0.1380918 -0.2573070 0.3096570), wk = 0.0026525 k( 136) = ( 0.1318149 -0.2456112 0.3096570), wk = 0.0026525 k( 137) = ( 0.1255380 -0.2339154 0.3096570), wk = 0.0026525 k( 138) = ( 0.1192611 -0.2222197 0.3096570), wk = 0.0026525 k( 139) = ( 0.1129842 -0.2105239 0.3096570), wk = 0.0026525 k( 140) = ( 0.1067073 -0.1988281 0.3096570), wk = 0.0026525 k( 141) = ( 0.1004304 -0.1871324 0.3096570), wk = 0.0026525 k( 142) = ( 0.0941535 -0.1754366 0.3096570), wk = 0.0026525 k( 143) = ( 0.0878766 -0.1637408 0.3096570), wk = 0.0026525 k( 144) = ( 0.0815997 -0.1520450 0.3096570), wk = 0.0026525 k( 145) = ( 0.0753228 -0.1403493 0.3096570), wk = 0.0026525 k( 146) = ( 0.0690459 -0.1286535 0.3096570), wk = 0.0026525 k( 147) = ( 0.0627690 -0.1169577 0.3096570), wk = 0.0026525 k( 148) = ( 0.0564921 -0.1052620 0.3096570), wk = 0.0026525 k( 149) = ( 0.0502152 -0.0935662 0.3096570), wk = 0.0026525 k( 150) = ( 0.0439383 -0.0818704 0.3096570), wk = 0.0026525 k( 151) = ( 0.0376614 -0.0701746 0.3096570), wk = 0.0026525 k( 152) = ( 0.0313845 -0.0584789 0.3096570), wk = 0.0026525 k( 153) = ( 0.0251076 -0.0467831 0.3096570), wk = 0.0026525 k( 154) = ( 0.0188307 -0.0350873 0.3096570), wk = 0.0026525 k( 155) = ( 0.0125538 -0.0233915 0.3096570), wk = 0.0026525 k( 156) = ( 0.0062769 -0.0116958 0.3096570), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.3096570), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.3096570), wk = 0.0026525 k( 159) = ( 0.0116496 0.0062521 0.3096570), wk = 0.0026525 k( 160) = ( 0.0232993 0.0125043 0.3096570), wk = 0.0026525 k( 161) = ( 0.0349489 0.0187564 0.3096570), wk = 0.0026525 k( 162) = ( 0.0465986 0.0250086 0.3096570), wk = 0.0026525 k( 163) = ( 0.0582482 0.0312607 0.3096570), wk = 0.0026525 k( 164) = ( 0.0698978 0.0375128 0.3096570), wk = 0.0026525 k( 165) = ( 0.0815475 0.0437650 0.3096570), wk = 0.0026525 k( 166) = ( 0.0931971 0.0500171 0.3096570), wk = 0.0026525 k( 167) = ( 0.1048467 0.0562693 0.3096570), wk = 0.0026525 k( 168) = ( 0.1164964 0.0625214 0.3096570), wk = 0.0026525 k( 169) = ( 0.1281460 0.0687735 0.3096570), wk = 0.0026525 k( 170) = ( 0.1397957 0.0750257 0.3096570), wk = 0.0026525 k( 171) = ( 0.1514453 0.0812778 0.3096570), wk = 0.0026525 k( 172) = ( 0.1630949 0.0875300 0.3096570), wk = 0.0026525 k( 173) = ( 0.1747446 0.0937821 0.3096570), wk = 0.0026525 k( 174) = ( 0.1863942 0.1000343 0.3096570), wk = 0.0026525 k( 175) = ( 0.1980438 0.1062864 0.3096570), wk = 0.0026525 k( 176) = ( 0.2096935 0.1125385 0.3096570), wk = 0.0026525 k( 177) = ( 0.2213431 0.1187907 0.3096570), wk = 0.0026525 k( 178) = ( 0.2329928 0.1250428 0.3096570), wk = 0.0026525 k( 179) = ( 0.2446424 0.1312950 0.3096570), wk = 0.0026525 k( 180) = ( 0.2562920 0.1375471 0.3096570), wk = 0.0026525 k( 181) = ( 0.2679417 0.1437992 0.3096570), wk = 0.0026525 k( 182) = ( 0.2795913 0.1500514 0.3096570), wk = 0.0026525 k( 183) = ( 0.2912409 0.1563035 0.3096570), wk = 0.0026525 k( 184) = ( 0.3028906 0.1625557 0.3096570), wk = 0.0026525 k( 185) = ( 0.3145402 0.1688078 0.3096570), wk = 0.0026525 k( 186) = ( 0.3261899 0.1750599 0.3096570), wk = 0.0026525 k( 187) = ( 0.3378395 0.1813121 0.3096570), wk = 0.0026525 k( 188) = ( 0.3494891 0.1875642 0.3096570), wk = 0.0026525 k( 189) = ( 0.3611388 0.1938164 0.3096570), wk = 0.0026525 k( 190) = ( 0.3727884 0.2000685 0.3096570), wk = 0.0026525 k( 191) = ( 0.3844381 0.2063206 0.3096570), wk = 0.0026525 k( 192) = ( 0.3960877 0.2125728 0.3096570), wk = 0.0026525 k( 193) = ( 0.4077373 0.2188249 0.3096570), wk = 0.0026525 k( 194) = ( 0.4193870 0.2250771 0.3096570), wk = 0.0026525 k( 195) = ( 0.4310366 0.2313292 0.3096570), wk = 0.0026525 k( 196) = ( 0.4426863 0.2375813 0.3096570), wk = 0.0026525 k( 197) = ( 0.4543359 0.2438335 0.3096570), wk = 0.0026525 k( 198) = ( 0.4659855 0.2500856 0.3096570), wk = 0.0026525 k( 199) = ( 0.4776352 0.2563378 0.3096570), wk = 0.0026525 k( 200) = ( 0.5000000 0.2683406 -0.2526478), wk = 0.0026525 k( 201) = ( 0.5062969 0.2566075 -0.2526478), wk = 0.0026525 k( 202) = ( 0.5125938 0.2448745 -0.2526478), wk = 0.0026525 k( 203) = ( 0.5188907 0.2331414 -0.2526478), wk = 0.0026525 k( 204) = ( 0.5251876 0.2214083 -0.2526478), wk = 0.0026525 k( 205) = ( 0.5314845 0.2096753 -0.2526478), wk = 0.0026525 k( 206) = ( 0.5377814 0.1979422 -0.2526478), wk = 0.0026525 k( 207) = ( 0.5440784 0.1862092 -0.2526478), wk = 0.0026525 k( 208) = ( 0.5503752 0.1744762 -0.2526478), wk = 0.0026525 k( 209) = ( 0.5566722 0.1627431 -0.2526478), wk = 0.0026525 k( 210) = ( 0.5629691 0.1510100 -0.2526478), wk = 0.0026525 k( 211) = ( 0.5692660 0.1392770 -0.2526478), wk = 0.0026525 k( 212) = ( 0.5755629 0.1275439 -0.2526478), wk = 0.0026525 k( 213) = ( 0.5818598 0.1158109 -0.2526478), wk = 0.0026525 k( 214) = ( 0.5881567 0.1040778 -0.2526478), wk = 0.0026525 k( 215) = ( 0.5944536 0.0923448 -0.2526478), wk = 0.0026525 k( 216) = ( 0.6007505 0.0806117 -0.2526478), wk = 0.0026525 k( 217) = ( 0.6070474 0.0688787 -0.2526478), wk = 0.0026525 k( 218) = ( 0.6133443 0.0571456 -0.2526478), wk = 0.0026525 k( 219) = ( 0.6196412 0.0454126 -0.2526478), wk = 0.0026525 k( 220) = ( 0.6259381 0.0336795 -0.2526478), wk = 0.0026525 k( 221) = ( 0.6322350 0.0219465 -0.2526478), wk = 0.0026525 k( 222) = ( 0.6385319 0.0102134 -0.2526478), wk = 0.0026525 k( 223) = ( 0.6448289 -0.0015196 -0.2526478), wk = 0.0026525 k( 224) = ( 0.6511258 -0.0132527 -0.2526478), wk = 0.0026525 k( 225) = ( 0.6574227 -0.0249857 -0.2526478), wk = 0.0026525 k( 226) = ( 0.6637196 -0.0367188 -0.2526478), wk = 0.0026525 k( 227) = ( 0.3362804 -0.6265926 0.0000000), wk = 0.0026525 k( 228) = ( 0.3300530 -0.6149891 0.0000000), wk = 0.0026525 k( 229) = ( 0.3238256 -0.6033855 0.0000000), wk = 0.0026525 k( 230) = ( 0.3175982 -0.5917819 0.0000000), wk = 0.0026525 k( 231) = ( 0.3113708 -0.5801784 0.0000000), wk = 0.0026525 k( 232) = ( 0.3051433 -0.5685748 0.0000000), wk = 0.0026525 k( 233) = ( 0.2989159 -0.5569712 0.0000000), wk = 0.0026525 k( 234) = ( 0.2926885 -0.5453677 0.0000000), wk = 0.0026525 k( 235) = ( 0.2864611 -0.5337641 0.0000000), wk = 0.0026525 k( 236) = ( 0.2802337 -0.5221605 0.0000000), wk = 0.0026525 k( 237) = ( 0.2740063 -0.5105570 0.0000000), wk = 0.0026525 k( 238) = ( 0.2677789 -0.4989534 0.0000000), wk = 0.0026525 k( 239) = ( 0.2615514 -0.4873498 0.0000000), wk = 0.0026525 k( 240) = ( 0.2553240 -0.4757463 0.0000000), wk = 0.0026525 k( 241) = ( 0.2490966 -0.4641427 0.0000000), wk = 0.0026525 k( 242) = ( 0.2428692 -0.4525391 0.0000000), wk = 0.0026525 k( 243) = ( 0.2366418 -0.4409356 0.0000000), wk = 0.0026525 k( 244) = ( 0.2304144 -0.4293320 0.0000000), wk = 0.0026525 k( 245) = ( 0.2241869 -0.4177284 0.0000000), wk = 0.0026525 k( 246) = ( 0.2179595 -0.4061249 0.0000000), wk = 0.0026525 k( 247) = ( 0.2117321 -0.3945213 0.0000000), wk = 0.0026525 k( 248) = ( 0.2055047 -0.3829177 0.0000000), wk = 0.0026525 k( 249) = ( 0.1992773 -0.3713142 0.0000000), wk = 0.0026525 k( 250) = ( 0.1930499 -0.3597106 0.0000000), wk = 0.0026525 k( 251) = ( 0.1868225 -0.3481070 0.0000000), wk = 0.0026525 k( 252) = ( 0.1805950 -0.3365034 0.0000000), wk = 0.0026525 k( 253) = ( 0.1743676 -0.3248999 0.0000000), wk = 0.0026525 k( 254) = ( 0.1681402 -0.3132963 0.0000000), wk = 0.0026525 k( 255) = ( 0.1619128 -0.3016928 0.0000000), wk = 0.0026525 k( 256) = ( 0.1556854 -0.2900892 0.0000000), wk = 0.0026525 k( 257) = ( 0.1494580 -0.2784856 0.0000000), wk = 0.0026525 k( 258) = ( 0.1432306 -0.2668820 0.0000000), wk = 0.0026525 k( 259) = ( 0.1370031 -0.2552785 0.0000000), wk = 0.0026525 k( 260) = ( 0.1307757 -0.2436749 0.0000000), wk = 0.0026525 k( 261) = ( 0.1245483 -0.2320714 0.0000000), wk = 0.0026525 k( 262) = ( 0.1183209 -0.2204678 0.0000000), wk = 0.0026525 k( 263) = ( 0.1120935 -0.2088642 0.0000000), wk = 0.0026525 k( 264) = ( 0.1058661 -0.1972606 0.0000000), wk = 0.0026525 k( 265) = ( 0.0996386 -0.1856571 0.0000000), wk = 0.0026525 k( 266) = ( 0.0934112 -0.1740535 0.0000000), wk = 0.0026525 k( 267) = ( 0.0871838 -0.1624499 0.0000000), wk = 0.0026525 k( 268) = ( 0.0809564 -0.1508464 0.0000000), wk = 0.0026525 k( 269) = ( 0.0747290 -0.1392428 0.0000000), wk = 0.0026525 k( 270) = ( 0.0685016 -0.1276392 0.0000000), wk = 0.0026525 k( 271) = ( 0.0622742 -0.1160357 0.0000000), wk = 0.0026525 k( 272) = ( 0.0560467 -0.1044321 0.0000000), wk = 0.0026525 k( 273) = ( 0.0498193 -0.0928285 0.0000000), wk = 0.0026525 k( 274) = ( 0.0435919 -0.0812250 0.0000000), wk = 0.0026525 k( 275) = ( 0.0373645 -0.0696214 0.0000000), wk = 0.0026525 k( 276) = ( 0.0311371 -0.0580178 0.0000000), wk = 0.0026525 k( 277) = ( 0.0249097 -0.0464143 0.0000000), wk = 0.0026525 k( 278) = ( 0.0186823 -0.0348107 0.0000000), wk = 0.0026525 k( 279) = ( 0.0124548 -0.0232071 0.0000000), wk = 0.0026525 k( 280) = ( 0.0062274 -0.0116036 0.0000000), wk = 0.0026525 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 283) = ( 0.0108696 -0.0072099 -0.0027462), wk = 0.0026525 k( 284) = ( 0.0217391 -0.0144198 -0.0054923), wk = 0.0026525 k( 285) = ( 0.0326087 -0.0216297 -0.0082385), wk = 0.0026525 k( 286) = ( 0.0434783 -0.0288396 -0.0109847), wk = 0.0026525 k( 287) = ( 0.0543478 -0.0360495 -0.0137309), wk = 0.0026525 k( 288) = ( 0.0652174 -0.0432594 -0.0164770), wk = 0.0026525 k( 289) = ( 0.0760870 -0.0504693 -0.0192232), wk = 0.0026525 k( 290) = ( 0.0869565 -0.0576793 -0.0219694), wk = 0.0026525 k( 291) = ( 0.0978261 -0.0648892 -0.0247155), wk = 0.0026525 k( 292) = ( 0.1086957 -0.0720991 -0.0274617), wk = 0.0026525 k( 293) = ( 0.1195652 -0.0793090 -0.0302079), wk = 0.0026525 k( 294) = ( 0.1304348 -0.0865189 -0.0329541), wk = 0.0026525 k( 295) = ( 0.1413043 -0.0937288 -0.0357002), wk = 0.0026525 k( 296) = ( 0.1521739 -0.1009387 -0.0384464), wk = 0.0026525 k( 297) = ( 0.1630435 -0.1081486 -0.0411926), wk = 0.0026525 k( 298) = ( 0.1739130 -0.1153585 -0.0439388), wk = 0.0026525 k( 299) = ( 0.1847826 -0.1225684 -0.0466849), wk = 0.0026525 k( 300) = ( 0.1956522 -0.1297783 -0.0494311), wk = 0.0026525 k( 301) = ( 0.2065217 -0.1369882 -0.0521773), wk = 0.0026525 k( 302) = ( 0.2173913 -0.1441981 -0.0549234), wk = 0.0026525 k( 303) = ( 0.2282609 -0.1514080 -0.0576696), wk = 0.0026525 k( 304) = ( 0.2391304 -0.1586179 -0.0604158), wk = 0.0026525 k( 305) = ( 0.2500000 -0.1658279 -0.0631620), wk = 0.0026525 k( 306) = ( 0.2608696 -0.1730378 -0.0659081), wk = 0.0026525 k( 307) = ( 0.2717391 -0.1802477 -0.0686543), wk = 0.0026525 k( 308) = ( 0.2826087 -0.1874576 -0.0714005), wk = 0.0026525 k( 309) = ( 0.2934783 -0.1946675 -0.0741466), wk = 0.0026525 k( 310) = ( 0.3043478 -0.2018774 -0.0768928), wk = 0.0026525 k( 311) = ( 0.3152174 -0.2090873 -0.0796390), wk = 0.0026525 k( 312) = ( 0.3260870 -0.2162972 -0.0823852), wk = 0.0026525 k( 313) = ( 0.3369565 -0.2235071 -0.0851313), wk = 0.0026525 k( 314) = ( 0.3478261 -0.2307170 -0.0878775), wk = 0.0026525 k( 315) = ( 0.3586956 -0.2379269 -0.0906237), wk = 0.0026525 k( 316) = ( 0.3695652 -0.2451368 -0.0933698), wk = 0.0026525 k( 317) = ( 0.3804348 -0.2523467 -0.0961160), wk = 0.0026525 k( 318) = ( 0.3913044 -0.2595566 -0.0988622), wk = 0.0026525 k( 319) = ( 0.4021739 -0.2667665 -0.1016084), wk = 0.0026525 k( 320) = ( 0.4130435 -0.2739764 -0.1043545), wk = 0.0026525 k( 321) = ( 0.4239130 -0.2811864 -0.1071007), wk = 0.0026525 k( 322) = ( 0.4347826 -0.2883963 -0.1098469), wk = 0.0026525 k( 323) = ( 0.4456522 -0.2956062 -0.1125931), wk = 0.0026525 k( 324) = ( 0.4565217 -0.3028161 -0.1153392), wk = 0.0026525 k( 325) = ( 0.4673913 -0.3100260 -0.1180854), wk = 0.0026525 k( 326) = ( 0.4782609 -0.3172359 -0.1208316), wk = 0.0026525 k( 327) = ( 0.4891304 -0.3244458 -0.1235777), wk = 0.0026525 k( 328) = ( 0.5000000 -0.3316557 -0.1263239), wk = 0.0026525 k( 329) = ( 0.5000000 -0.3316557 0.1833331), wk = 0.0026525 k( 330) = ( 0.4895833 -0.3247462 0.1795137), wk = 0.0026525 k( 331) = ( 0.4791667 -0.3178367 0.1756942), wk = 0.0026525 k( 332) = ( 0.4687500 -0.3109272 0.1718748), wk = 0.0026525 k( 333) = ( 0.4583333 -0.3040177 0.1680554), wk = 0.0026525 k( 334) = ( 0.4479167 -0.2971082 0.1642359), wk = 0.0026525 k( 335) = ( 0.4375000 -0.2901987 0.1604165), wk = 0.0026525 k( 336) = ( 0.4270833 -0.2832892 0.1565970), wk = 0.0026525 k( 337) = ( 0.4166667 -0.2763798 0.1527776), wk = 0.0026525 k( 338) = ( 0.4062500 -0.2694703 0.1489582), wk = 0.0026525 k( 339) = ( 0.3958333 -0.2625608 0.1451387), wk = 0.0026525 k( 340) = ( 0.3854167 -0.2556513 0.1413193), wk = 0.0026525 k( 341) = ( 0.3750000 -0.2487418 0.1374998), wk = 0.0026525 k( 342) = ( 0.3645833 -0.2418323 0.1336804), wk = 0.0026525 k( 343) = ( 0.3541667 -0.2349228 0.1298610), wk = 0.0026525 k( 344) = ( 0.3437500 -0.2280133 0.1260415), wk = 0.0026525 k( 345) = ( 0.3333333 -0.2211038 0.1222221), wk = 0.0026525 k( 346) = ( 0.3229167 -0.2141943 0.1184026), wk = 0.0026525 k( 347) = ( 0.3125000 -0.2072848 0.1145832), wk = 0.0026525 k( 348) = ( 0.3020833 -0.2003753 0.1107638), wk = 0.0026525 k( 349) = ( 0.2916667 -0.1934658 0.1069443), wk = 0.0026525 k( 350) = ( 0.2812500 -0.1865563 0.1031249), wk = 0.0026525 k( 351) = ( 0.2708333 -0.1796468 0.0993054), wk = 0.0026525 k( 352) = ( 0.2604167 -0.1727373 0.0954860), wk = 0.0026525 k( 353) = ( 0.2500000 -0.1658279 0.0916666), wk = 0.0026525 k( 354) = ( 0.2395833 -0.1589184 0.0878471), wk = 0.0026525 k( 355) = ( 0.2291667 -0.1520089 0.0840277), wk = 0.0026525 k( 356) = ( 0.2187500 -0.1450994 0.0802082), wk = 0.0026525 k( 357) = ( 0.2083333 -0.1381899 0.0763888), wk = 0.0026525 k( 358) = ( 0.1979167 -0.1312804 0.0725694), wk = 0.0026525 k( 359) = ( 0.1875000 -0.1243709 0.0687499), wk = 0.0026525 k( 360) = ( 0.1770833 -0.1174614 0.0649305), wk = 0.0026525 k( 361) = ( 0.1666667 -0.1105519 0.0611110), wk = 0.0026525 k( 362) = ( 0.1562500 -0.1036424 0.0572916), wk = 0.0026525 k( 363) = ( 0.1458333 -0.0967329 0.0534722), wk = 0.0026525 k( 364) = ( 0.1354167 -0.0898234 0.0496527), wk = 0.0026525 k( 365) = ( 0.1250000 -0.0829139 0.0458333), wk = 0.0026525 k( 366) = ( 0.1145833 -0.0760044 0.0420138), wk = 0.0026525 k( 367) = ( 0.1041667 -0.0690949 0.0381944), wk = 0.0026525 k( 368) = ( 0.0937500 -0.0621854 0.0343750), wk = 0.0026525 k( 369) = ( 0.0833333 -0.0552759 0.0305555), wk = 0.0026525 k( 370) = ( 0.0729167 -0.0483665 0.0267361), wk = 0.0026525 k( 371) = ( 0.0625000 -0.0414570 0.0229166), wk = 0.0026525 k( 372) = ( 0.0520833 -0.0345475 0.0190972), wk = 0.0026525 k( 373) = ( 0.0416667 -0.0276380 0.0152778), wk = 0.0026525 k( 374) = ( 0.0312500 -0.0207285 0.0114583), wk = 0.0026525 k( 375) = ( 0.0208333 -0.0138190 0.0076389), wk = 0.0026525 k( 376) = ( 0.0104167 -0.0069095 0.0038194), wk = 0.0026525 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0026525 k( 3) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0026525 k( 4) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0026525 k( 6) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0026525 k( 7) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0026525 k( 8) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0026525 k( 9) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0026525 k( 10) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0026525 k( 11) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0026525 k( 12) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0026525 k( 13) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0026525 k( 14) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0026525 k( 15) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0026525 k( 16) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0026525 k( 17) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0026525 k( 18) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0026525 k( 19) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0026525 k( 20) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0026525 k( 21) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0026525 k( 22) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0026525 k( 23) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0026525 k( 24) = ( 0.2446809 0.2446808 0.0000000), wk = 0.0026525 k( 25) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0026525 k( 26) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0026525 k( 27) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0026525 k( 28) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0026525 k( 29) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0026525 k( 30) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0026525 k( 31) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0026525 k( 32) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0026525 k( 33) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0026525 k( 34) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0026525 k( 35) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0026525 k( 36) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0026525 k( 37) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0026525 k( 38) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0026525 k( 39) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0026525 k( 40) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0026525 k( 41) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0026525 k( 42) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0026525 k( 43) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0026525 k( 44) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0026525 k( 45) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0026525 k( 46) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0026525 k( 47) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0026525 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 50) = ( 0.5044730 0.5044730 0.0220599), wk = 0.0026525 k( 51) = ( 0.5089459 0.5089459 0.0441198), wk = 0.0026525 k( 52) = ( 0.5134189 0.5134189 0.0661797), wk = 0.0026525 k( 53) = ( 0.5178919 0.5178919 0.0882396), wk = 0.0026525 k( 54) = ( 0.5223648 0.5223648 0.1102995), wk = 0.0026525 k( 55) = ( 0.5223648 0.5223648 0.1102995), wk = 0.0026525 k( 56) = ( 0.5212466 0.5212466 0.1297846), wk = 0.0026525 k( 57) = ( 0.5201284 0.5201284 0.1492696), wk = 0.0026525 k( 58) = ( 0.5190101 0.5190101 0.1687546), wk = 0.0026525 k( 59) = ( 0.5178919 0.5178919 0.1882396), wk = 0.0026525 k( 60) = ( 0.5167736 0.5167736 0.2077247), wk = 0.0026525 k( 61) = ( 0.5156554 0.5156554 0.2272097), wk = 0.0026525 k( 62) = ( 0.5145371 0.5145371 0.2466947), wk = 0.0026525 k( 63) = ( 0.5134189 0.5134189 0.2661797), wk = 0.0026525 k( 64) = ( 0.5123007 0.5123007 0.2856647), wk = 0.0026525 k( 65) = ( 0.5111824 0.5111824 0.3051498), wk = 0.0026525 k( 66) = ( 0.5100642 0.5100642 0.3246348), wk = 0.0026525 k( 67) = ( 0.5089459 0.5089459 0.3441198), wk = 0.0026525 k( 68) = ( 0.5078277 0.5078277 0.3636048), wk = 0.0026525 k( 69) = ( 0.5067095 0.5067095 0.3830899), wk = 0.0026525 k( 70) = ( 0.5055912 0.5055912 0.4025749), wk = 0.0026525 k( 71) = ( 0.5044730 0.5044730 0.4220599), wk = 0.0026525 k( 72) = ( 0.5033547 0.5033547 0.4415449), wk = 0.0026525 k( 73) = ( 0.5022365 0.5022365 0.4610300), wk = 0.0026525 k( 74) = ( 0.5011182 0.5011182 0.4805150), wk = 0.0026525 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 77) = ( 0.5062096 0.4937903 0.5000000), wk = 0.0026525 k( 78) = ( 0.5124193 0.4875807 0.5000000), wk = 0.0026525 k( 79) = ( 0.5186289 0.4813710 0.5000000), wk = 0.0026525 k( 80) = ( 0.5248386 0.4751614 0.5000000), wk = 0.0026525 k( 81) = ( 0.5310482 0.4689518 0.5000000), wk = 0.0026525 k( 82) = ( 0.5372579 0.4627421 0.5000000), wk = 0.0026525 k( 83) = ( 0.5434676 0.4565324 0.5000000), wk = 0.0026525 k( 84) = ( 0.5496772 0.4503228 0.5000000), wk = 0.0026525 k( 85) = ( 0.5558869 0.4441131 0.5000000), wk = 0.0026525 k( 86) = ( 0.5620965 0.4379035 0.5000000), wk = 0.0026525 k( 87) = ( 0.5683061 0.4316938 0.5000000), wk = 0.0026525 k( 88) = ( 0.5745158 0.4254842 0.5000000), wk = 0.0026525 k( 89) = ( 0.5807254 0.4192745 0.5000000), wk = 0.0026525 k( 90) = ( 0.5869351 0.4130649 0.5000000), wk = 0.0026525 k( 91) = ( 0.5931447 0.4068553 0.5000000), wk = 0.0026525 k( 92) = ( 0.5993544 0.4006456 0.5000000), wk = 0.0026525 k( 93) = ( 0.6055641 0.3944359 0.5000000), wk = 0.0026525 k( 94) = ( 0.6117737 0.3882263 0.5000000), wk = 0.0026525 k( 95) = ( 0.6179834 0.3820166 0.5000000), wk = 0.0026525 k( 96) = ( 0.6241930 0.3758070 0.5000000), wk = 0.0026525 k( 97) = ( 0.6304026 0.3695974 0.5000000), wk = 0.0026525 k( 98) = ( 0.6366123 0.3633877 0.5000000), wk = 0.0026525 k( 99) = ( 0.6428219 0.3571781 0.5000000), wk = 0.0026525 k( 100) = ( 0.6490316 0.3509684 0.5000000), wk = 0.0026525 k( 101) = ( 0.6552412 0.3447588 0.5000000), wk = 0.0026525 k( 102) = ( 0.6614509 0.3385491 0.5000000), wk = 0.0026525 k( 103) = ( 0.6676605 0.3323395 0.5000000), wk = 0.0026525 k( 104) = ( 0.6738702 0.3261298 0.5000000), wk = 0.0026525 k( 105) = ( 0.6800798 0.3199202 0.5000000), wk = 0.0026525 k( 106) = ( 0.6862895 0.3137105 0.5000000), wk = 0.0026525 k( 107) = ( 0.6924991 0.3075009 0.5000000), wk = 0.0026525 k( 108) = ( 0.6987088 0.3012912 0.5000000), wk = 0.0026525 k( 109) = ( 0.3012912 -0.3012912 0.5000000), wk = 0.0026525 k( 110) = ( 0.2950143 -0.2950143 0.5000000), wk = 0.0026525 k( 111) = ( 0.2887374 -0.2887374 0.5000000), wk = 0.0026525 k( 112) = ( 0.2824605 -0.2824605 0.5000000), wk = 0.0026525 k( 113) = ( 0.2761836 -0.2761836 0.5000000), wk = 0.0026525 k( 114) = ( 0.2699067 -0.2699067 0.5000000), wk = 0.0026525 k( 115) = ( 0.2636298 -0.2636298 0.5000000), wk = 0.0026525 k( 116) = ( 0.2573529 -0.2573529 0.5000000), wk = 0.0026525 k( 117) = ( 0.2510760 -0.2510760 0.5000000), wk = 0.0026525 k( 118) = ( 0.2447991 -0.2447991 0.5000000), wk = 0.0026525 k( 119) = ( 0.2385222 -0.2385222 0.5000000), wk = 0.0026525 k( 120) = ( 0.2322453 -0.2322453 0.5000000), wk = 0.0026525 k( 121) = ( 0.2259684 -0.2259684 0.5000000), wk = 0.0026525 k( 122) = ( 0.2196915 -0.2196915 0.5000000), wk = 0.0026525 k( 123) = ( 0.2134146 -0.2134146 0.5000000), wk = 0.0026525 k( 124) = ( 0.2071377 -0.2071377 0.5000000), wk = 0.0026525 k( 125) = ( 0.2008608 -0.2008608 0.5000000), wk = 0.0026525 k( 126) = ( 0.1945839 -0.1945839 0.5000000), wk = 0.0026525 k( 127) = ( 0.1883070 -0.1883070 0.5000000), wk = 0.0026525 k( 128) = ( 0.1820301 -0.1820301 0.5000000), wk = 0.0026525 k( 129) = ( 0.1757532 -0.1757532 0.5000000), wk = 0.0026525 k( 130) = ( 0.1694763 -0.1694763 0.5000000), wk = 0.0026525 k( 131) = ( 0.1631994 -0.1631994 0.5000000), wk = 0.0026525 k( 132) = ( 0.1569225 -0.1569225 0.5000000), wk = 0.0026525 k( 133) = ( 0.1506456 -0.1506456 0.5000000), wk = 0.0026525 k( 134) = ( 0.1443687 -0.1443687 0.5000000), wk = 0.0026525 k( 135) = ( 0.1380918 -0.1380918 0.5000000), wk = 0.0026525 k( 136) = ( 0.1318149 -0.1318149 0.5000000), wk = 0.0026525 k( 137) = ( 0.1255380 -0.1255380 0.5000000), wk = 0.0026525 k( 138) = ( 0.1192611 -0.1192611 0.5000000), wk = 0.0026525 k( 139) = ( 0.1129842 -0.1129842 0.5000000), wk = 0.0026525 k( 140) = ( 0.1067073 -0.1067073 0.5000000), wk = 0.0026525 k( 141) = ( 0.1004304 -0.1004304 0.5000000), wk = 0.0026525 k( 142) = ( 0.0941535 -0.0941535 0.5000000), wk = 0.0026525 k( 143) = ( 0.0878766 -0.0878766 0.5000000), wk = 0.0026525 k( 144) = ( 0.0815997 -0.0815997 0.5000000), wk = 0.0026525 k( 145) = ( 0.0753228 -0.0753228 0.5000000), wk = 0.0026525 k( 146) = ( 0.0690459 -0.0690459 0.5000000), wk = 0.0026525 k( 147) = ( 0.0627690 -0.0627690 0.5000000), wk = 0.0026525 k( 148) = ( 0.0564921 -0.0564921 0.5000000), wk = 0.0026525 k( 149) = ( 0.0502152 -0.0502152 0.5000000), wk = 0.0026525 k( 150) = ( 0.0439383 -0.0439383 0.5000000), wk = 0.0026525 k( 151) = ( 0.0376614 -0.0376614 0.5000000), wk = 0.0026525 k( 152) = ( 0.0313845 -0.0313845 0.5000000), wk = 0.0026525 k( 153) = ( 0.0251076 -0.0251076 0.5000000), wk = 0.0026525 k( 154) = ( 0.0188307 -0.0188307 0.5000000), wk = 0.0026525 k( 155) = ( 0.0125538 -0.0125538 0.5000000), wk = 0.0026525 k( 156) = ( 0.0062769 -0.0062769 0.5000000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 159) = ( 0.0116496 0.0116496 0.5095049), wk = 0.0026525 k( 160) = ( 0.0232993 0.0232993 0.5190098), wk = 0.0026525 k( 161) = ( 0.0349489 0.0349489 0.5285147), wk = 0.0026525 k( 162) = ( 0.0465986 0.0465986 0.5380196), wk = 0.0026525 k( 163) = ( 0.0582482 0.0582482 0.5475245), wk = 0.0026525 k( 164) = ( 0.0698978 0.0698978 0.5570293), wk = 0.0026525 k( 165) = ( 0.0815475 0.0815475 0.5665342), wk = 0.0026525 k( 166) = ( 0.0931971 0.0931971 0.5760391), wk = 0.0026525 k( 167) = ( 0.1048467 0.1048467 0.5855440), wk = 0.0026525 k( 168) = ( 0.1164964 0.1164964 0.5950489), wk = 0.0026525 k( 169) = ( 0.1281460 0.1281460 0.6045538), wk = 0.0026525 k( 170) = ( 0.1397957 0.1397957 0.6140587), wk = 0.0026525 k( 171) = ( 0.1514453 0.1514453 0.6235636), wk = 0.0026525 k( 172) = ( 0.1630949 0.1630949 0.6330684), wk = 0.0026525 k( 173) = ( 0.1747446 0.1747446 0.6425733), wk = 0.0026525 k( 174) = ( 0.1863942 0.1863942 0.6520782), wk = 0.0026525 k( 175) = ( 0.1980438 0.1980438 0.6615831), wk = 0.0026525 k( 176) = ( 0.2096935 0.2096935 0.6710880), wk = 0.0026525 k( 177) = ( 0.2213431 0.2213431 0.6805929), wk = 0.0026525 k( 178) = ( 0.2329928 0.2329928 0.6900978), wk = 0.0026525 k( 179) = ( 0.2446424 0.2446424 0.6996027), wk = 0.0026525 k( 180) = ( 0.2562920 0.2562920 0.7091076), wk = 0.0026525 k( 181) = ( 0.2679417 0.2679417 0.7186124), wk = 0.0026525 k( 182) = ( 0.2795913 0.2795913 0.7281173), wk = 0.0026525 k( 183) = ( 0.2912409 0.2912409 0.7376222), wk = 0.0026525 k( 184) = ( 0.3028906 0.3028906 0.7471271), wk = 0.0026525 k( 185) = ( 0.3145402 0.3145402 0.7566320), wk = 0.0026525 k( 186) = ( 0.3261899 0.3261899 0.7661369), wk = 0.0026525 k( 187) = ( 0.3378395 0.3378395 0.7756418), wk = 0.0026525 k( 188) = ( 0.3494891 0.3494891 0.7851467), wk = 0.0026525 k( 189) = ( 0.3611388 0.3611388 0.7946516), wk = 0.0026525 k( 190) = ( 0.3727884 0.3727884 0.8041565), wk = 0.0026525 k( 191) = ( 0.3844381 0.3844381 0.8136613), wk = 0.0026525 k( 192) = ( 0.3960877 0.3960877 0.8231662), wk = 0.0026525 k( 193) = ( 0.4077373 0.4077373 0.8326711), wk = 0.0026525 k( 194) = ( 0.4193870 0.4193870 0.8421760), wk = 0.0026525 k( 195) = ( 0.4310366 0.4310366 0.8516809), wk = 0.0026525 k( 196) = ( 0.4426863 0.4426862 0.8611858), wk = 0.0026525 k( 197) = ( 0.4543359 0.4543359 0.8706907), wk = 0.0026525 k( 198) = ( 0.4659855 0.4659855 0.8801956), wk = 0.0026525 k( 199) = ( 0.4776352 0.4776352 0.8897004), wk = 0.0026525 k( 200) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026525 k( 201) = ( 0.5062969 0.4937031 0.0000000), wk = 0.0026525 k( 202) = ( 0.5125938 0.4874062 0.0000000), wk = 0.0026525 k( 203) = ( 0.5188907 0.4811093 0.0000000), wk = 0.0026525 k( 204) = ( 0.5251876 0.4748124 0.0000000), wk = 0.0026525 k( 205) = ( 0.5314845 0.4685155 0.0000000), wk = 0.0026525 k( 206) = ( 0.5377814 0.4622186 0.0000000), wk = 0.0026525 k( 207) = ( 0.5440784 0.4559216 0.0000000), wk = 0.0026525 k( 208) = ( 0.5503752 0.4496247 0.0000000), wk = 0.0026525 k( 209) = ( 0.5566722 0.4433278 0.0000000), wk = 0.0026525 k( 210) = ( 0.5629691 0.4370309 0.0000000), wk = 0.0026525 k( 211) = ( 0.5692660 0.4307340 0.0000000), wk = 0.0026525 k( 212) = ( 0.5755629 0.4244371 0.0000000), wk = 0.0026525 k( 213) = ( 0.5818598 0.4181402 0.0000000), wk = 0.0026525 k( 214) = ( 0.5881567 0.4118433 0.0000000), wk = 0.0026525 k( 215) = ( 0.5944536 0.4055464 0.0000000), wk = 0.0026525 k( 216) = ( 0.6007505 0.3992495 0.0000000), wk = 0.0026525 k( 217) = ( 0.6070474 0.3929526 0.0000000), wk = 0.0026525 k( 218) = ( 0.6133443 0.3866557 0.0000000), wk = 0.0026525 k( 219) = ( 0.6196412 0.3803588 0.0000000), wk = 0.0026525 k( 220) = ( 0.6259381 0.3740619 0.0000000), wk = 0.0026525 k( 221) = ( 0.6322350 0.3677650 0.0000000), wk = 0.0026525 k( 222) = ( 0.6385319 0.3614680 0.0000000), wk = 0.0026525 k( 223) = ( 0.6448289 0.3551711 0.0000000), wk = 0.0026525 k( 224) = ( 0.6511258 0.3488742 0.0000000), wk = 0.0026525 k( 225) = ( 0.6574227 0.3425773 0.0000000), wk = 0.0026525 k( 226) = ( 0.6637196 0.3362804 0.0000000), wk = 0.0026525 k( 227) = ( 0.3362804 -0.3362804 0.0000000), wk = 0.0026525 k( 228) = ( 0.3300530 -0.3300530 0.0000000), wk = 0.0026525 k( 229) = ( 0.3238256 -0.3238256 0.0000000), wk = 0.0026525 k( 230) = ( 0.3175982 -0.3175982 0.0000000), wk = 0.0026525 k( 231) = ( 0.3113708 -0.3113708 0.0000000), wk = 0.0026525 k( 232) = ( 0.3051433 -0.3051434 0.0000000), wk = 0.0026525 k( 233) = ( 0.2989159 -0.2989159 0.0000000), wk = 0.0026525 k( 234) = ( 0.2926885 -0.2926885 0.0000000), wk = 0.0026525 k( 235) = ( 0.2864611 -0.2864611 0.0000000), wk = 0.0026525 k( 236) = ( 0.2802337 -0.2802337 0.0000000), wk = 0.0026525 k( 237) = ( 0.2740063 -0.2740063 0.0000000), wk = 0.0026525 k( 238) = ( 0.2677789 -0.2677789 0.0000000), wk = 0.0026525 k( 239) = ( 0.2615514 -0.2615514 0.0000000), wk = 0.0026525 k( 240) = ( 0.2553240 -0.2553240 0.0000000), wk = 0.0026525 k( 241) = ( 0.2490966 -0.2490966 0.0000000), wk = 0.0026525 k( 242) = ( 0.2428692 -0.2428692 0.0000000), wk = 0.0026525 k( 243) = ( 0.2366418 -0.2366418 0.0000000), wk = 0.0026525 k( 244) = ( 0.2304144 -0.2304144 0.0000000), wk = 0.0026525 k( 245) = ( 0.2241869 -0.2241869 0.0000000), wk = 0.0026525 k( 246) = ( 0.2179595 -0.2179595 0.0000000), wk = 0.0026525 k( 247) = ( 0.2117321 -0.2117321 0.0000000), wk = 0.0026525 k( 248) = ( 0.2055047 -0.2055047 0.0000000), wk = 0.0026525 k( 249) = ( 0.1992773 -0.1992773 0.0000000), wk = 0.0026525 k( 250) = ( 0.1930499 -0.1930499 0.0000000), wk = 0.0026525 k( 251) = ( 0.1868225 -0.1868225 0.0000000), wk = 0.0026525 k( 252) = ( 0.1805950 -0.1805950 0.0000000), wk = 0.0026525 k( 253) = ( 0.1743676 -0.1743676 0.0000000), wk = 0.0026525 k( 254) = ( 0.1681402 -0.1681402 0.0000000), wk = 0.0026525 k( 255) = ( 0.1619128 -0.1619128 0.0000000), wk = 0.0026525 k( 256) = ( 0.1556854 -0.1556854 0.0000000), wk = 0.0026525 k( 257) = ( 0.1494580 -0.1494580 0.0000000), wk = 0.0026525 k( 258) = ( 0.1432306 -0.1432305 0.0000000), wk = 0.0026525 k( 259) = ( 0.1370031 -0.1370031 0.0000000), wk = 0.0026525 k( 260) = ( 0.1307757 -0.1307757 0.0000000), wk = 0.0026525 k( 261) = ( 0.1245483 -0.1245483 0.0000000), wk = 0.0026525 k( 262) = ( 0.1183209 -0.1183209 0.0000000), wk = 0.0026525 k( 263) = ( 0.1120935 -0.1120935 0.0000000), wk = 0.0026525 k( 264) = ( 0.1058661 -0.1058661 0.0000000), wk = 0.0026525 k( 265) = ( 0.0996386 -0.0996386 0.0000000), wk = 0.0026525 k( 266) = ( 0.0934112 -0.0934112 0.0000000), wk = 0.0026525 k( 267) = ( 0.0871838 -0.0871838 0.0000000), wk = 0.0026525 k( 268) = ( 0.0809564 -0.0809564 0.0000000), wk = 0.0026525 k( 269) = ( 0.0747290 -0.0747290 0.0000000), wk = 0.0026525 k( 270) = ( 0.0685016 -0.0685016 0.0000000), wk = 0.0026525 k( 271) = ( 0.0622742 -0.0622742 0.0000000), wk = 0.0026525 k( 272) = ( 0.0560467 -0.0560467 0.0000000), wk = 0.0026525 k( 273) = ( 0.0498193 -0.0498193 0.0000000), wk = 0.0026525 k( 274) = ( 0.0435919 -0.0435919 0.0000000), wk = 0.0026525 k( 275) = ( 0.0373645 -0.0373645 0.0000000), wk = 0.0026525 k( 276) = ( 0.0311371 -0.0311371 0.0000000), wk = 0.0026525 k( 277) = ( 0.0249097 -0.0249097 0.0000000), wk = 0.0026525 k( 278) = ( 0.0186823 -0.0186823 0.0000000), wk = 0.0026525 k( 279) = ( 0.0124548 -0.0124548 0.0000000), wk = 0.0026525 k( 280) = ( 0.0062274 -0.0062274 0.0000000), wk = 0.0026525 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 283) = ( 0.0108696 -0.0000000 0.0000000), wk = 0.0026525 k( 284) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0026525 k( 285) = ( 0.0326087 -0.0000000 0.0000000), wk = 0.0026525 k( 286) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0026525 k( 287) = ( 0.0543478 -0.0000000 0.0000000), wk = 0.0026525 k( 288) = ( 0.0652174 -0.0000000 0.0000000), wk = 0.0026525 k( 289) = ( 0.0760870 -0.0000000 0.0000000), wk = 0.0026525 k( 290) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0026525 k( 291) = ( 0.0978261 -0.0000000 0.0000000), wk = 0.0026525 k( 292) = ( 0.1086957 -0.0000000 0.0000000), wk = 0.0026525 k( 293) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0026525 k( 294) = ( 0.1304348 -0.0000000 0.0000000), wk = 0.0026525 k( 295) = ( 0.1413043 -0.0000000 0.0000000), wk = 0.0026525 k( 296) = ( 0.1521739 -0.0000000 0.0000000), wk = 0.0026525 k( 297) = ( 0.1630435 -0.0000000 0.0000000), wk = 0.0026525 k( 298) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0026525 k( 299) = ( 0.1847826 -0.0000000 0.0000000), wk = 0.0026525 k( 300) = ( 0.1956522 -0.0000000 0.0000000), wk = 0.0026525 k( 301) = ( 0.2065217 -0.0000000 0.0000000), wk = 0.0026525 k( 302) = ( 0.2173913 -0.0000000 0.0000000), wk = 0.0026525 k( 303) = ( 0.2282609 -0.0000000 0.0000000), wk = 0.0026525 k( 304) = ( 0.2391304 -0.0000000 0.0000000), wk = 0.0026525 k( 305) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026525 k( 306) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0026525 k( 307) = ( 0.2717391 -0.0000000 0.0000000), wk = 0.0026525 k( 308) = ( 0.2826087 -0.0000000 0.0000000), wk = 0.0026525 k( 309) = ( 0.2934783 -0.0000000 0.0000000), wk = 0.0026525 k( 310) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0026525 k( 311) = ( 0.3152174 -0.0000000 0.0000000), wk = 0.0026525 k( 312) = ( 0.3260870 -0.0000000 0.0000000), wk = 0.0026525 k( 313) = ( 0.3369565 -0.0000000 0.0000000), wk = 0.0026525 k( 314) = ( 0.3478261 -0.0000000 0.0000000), wk = 0.0026525 k( 315) = ( 0.3586956 -0.0000000 0.0000000), wk = 0.0026525 k( 316) = ( 0.3695652 -0.0000000 0.0000000), wk = 0.0026525 k( 317) = ( 0.3804348 -0.0000000 0.0000000), wk = 0.0026525 k( 318) = ( 0.3913044 -0.0000000 0.0000000), wk = 0.0026525 k( 319) = ( 0.4021739 -0.0000000 0.0000000), wk = 0.0026525 k( 320) = ( 0.4130435 -0.0000000 0.0000000), wk = 0.0026525 k( 321) = ( 0.4239130 -0.0000000 0.0000000), wk = 0.0026525 k( 322) = ( 0.4347826 -0.0000000 0.0000000), wk = 0.0026525 k( 323) = ( 0.4456522 -0.0000000 0.0000000), wk = 0.0026525 k( 324) = ( 0.4565217 -0.0000000 0.0000000), wk = 0.0026525 k( 325) = ( 0.4673913 -0.0000000 0.0000000), wk = 0.0026525 k( 326) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0026525 k( 327) = ( 0.4891304 -0.0000000 0.0000000), wk = 0.0026525 k( 328) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026525 k( 329) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026525 k( 330) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0026525 k( 331) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0026525 k( 332) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0026525 k( 333) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0026525 k( 334) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0026525 k( 335) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0026525 k( 336) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0026525 k( 337) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0026525 k( 338) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0026525 k( 339) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0026525 k( 340) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0026525 k( 341) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0026525 k( 342) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0026525 k( 343) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0026525 k( 344) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0026525 k( 345) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0026525 k( 346) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0026525 k( 347) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0026525 k( 348) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0026525 k( 349) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0026525 k( 350) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0026525 k( 351) = ( 0.2708333 -0.0000000 0.2708333), wk = 0.0026525 k( 352) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0026525 k( 353) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0026525 k( 354) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0026525 k( 355) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0026525 k( 356) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0026525 k( 357) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0026525 k( 358) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0026525 k( 359) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0026525 k( 360) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0026525 k( 361) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026525 k( 362) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0026525 k( 363) = ( 0.1458333 -0.0000000 0.1458333), wk = 0.0026525 k( 364) = ( 0.1354167 -0.0000000 0.1354167), wk = 0.0026525 k( 365) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0026525 k( 366) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0026525 k( 367) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0026525 k( 368) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0026525 k( 369) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0026525 k( 370) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0026525 k( 371) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0026525 k( 372) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0026525 k( 373) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0026525 k( 374) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0026525 k( 375) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0026525 k( 376) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0026525 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 Dense grid: 64727 G-vectors FFT dimensions: ( 45, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 236, 36) NL pseudopotentials 0.18 Mb ( 118, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 898) G-vector shells 0.01 Mb ( 862) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 236, 144) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.11 Mb ( 102, 2, 36) The potential is recalculated from file : ./CrI2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 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 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.0 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.8 secs Computing kpt #: 33 total cpu time spent up to now is 20.4 secs Computing kpt #: 34 total cpu time spent up to now is 21.0 secs Computing kpt #: 35 total cpu time spent up to now is 21.5 secs Computing kpt #: 36 total cpu time spent up to now is 22.0 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.9 secs Computing kpt #: 39 total cpu time spent up to now is 23.5 secs Computing kpt #: 40 total cpu time spent up to now is 24.0 secs Computing kpt #: 41 total cpu time spent up to now is 24.5 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.0 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 30.0 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.9 secs Computing kpt #: 55 total cpu time spent up to now is 31.4 secs Computing kpt #: 56 total cpu time spent up to now is 31.9 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.4 secs Computing kpt #: 60 total cpu time spent up to now is 33.8 secs Computing kpt #: 61 total cpu time spent up to now is 34.3 secs Computing kpt #: 62 total cpu time spent up to now is 34.8 secs Computing kpt #: 63 total cpu time spent up to now is 35.3 secs Computing kpt #: 64 total cpu time spent up to now is 35.8 secs Computing kpt #: 65 total cpu time spent up to now is 36.3 secs Computing kpt #: 66 total cpu time spent up to now is 36.9 secs Computing kpt #: 67 total cpu time spent up to now is 37.5 secs Computing kpt #: 68 total cpu time spent up to now is 38.0 secs Computing kpt #: 69 total cpu time spent up to now is 38.4 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.0 secs Computing kpt #: 73 total cpu time spent up to now is 40.6 secs Computing kpt #: 74 total cpu time spent up to now is 41.1 secs Computing kpt #: 75 total cpu time spent up to now is 41.7 secs Computing kpt #: 76 total cpu time spent up to now is 42.2 secs Computing kpt #: 77 total cpu time spent up to now is 42.8 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.8 secs Computing kpt #: 80 total cpu time spent up to now is 44.2 secs Computing kpt #: 81 total cpu time spent up to now is 44.7 secs Computing kpt #: 82 total cpu time spent up to now is 45.3 secs Computing kpt #: 83 total cpu time spent up to now is 45.8 secs Computing kpt #: 84 total cpu time spent up to now is 46.3 secs Computing kpt #: 85 total cpu time spent up to now is 46.8 secs Computing kpt #: 86 total cpu time spent up to now is 47.2 secs Computing kpt #: 87 total cpu time spent up to now is 47.8 secs Computing kpt #: 88 total cpu time spent up to now is 48.3 secs Computing kpt #: 89 total cpu time spent up to now is 48.8 secs Computing kpt #: 90 total cpu time spent up to now is 49.3 secs Computing kpt #: 91 total cpu time spent up to now is 49.8 secs Computing kpt #: 92 total cpu time spent up to now is 50.3 secs Computing kpt #: 93 total cpu time spent up to now is 50.8 secs Computing kpt #: 94 total cpu time spent up to now is 51.4 secs Computing kpt #: 95 total cpu time spent up to now is 51.8 secs Computing kpt #: 96 total cpu time spent up to now is 52.4 secs Computing kpt #: 97 total cpu time spent up to now is 52.9 secs Computing kpt #: 98 total cpu time spent up to now is 53.4 secs Computing kpt #: 99 total cpu time spent up to now is 53.9 secs Computing kpt #: 100 total cpu time spent up to now is 54.4 secs Computing kpt #: 101 total cpu time spent up to now is 55.0 secs Computing kpt #: 102 total cpu time spent up to now is 55.5 secs Computing kpt #: 103 total cpu time spent up to now is 56.0 secs Computing kpt #: 104 total cpu time spent up to now is 56.5 secs Computing kpt #: 105 total cpu time spent up to now is 57.0 secs Computing kpt #: 106 total cpu time spent up to now is 57.4 secs Computing kpt #: 107 total cpu time spent up to now is 58.0 secs Computing kpt #: 108 total cpu time spent up to now is 58.5 secs Computing kpt #: 109 total cpu time spent up to now is 59.0 secs Computing kpt #: 110 total cpu time spent up to now is 59.5 secs Computing kpt #: 111 total cpu time spent up to now is 60.1 secs Computing kpt #: 112 total cpu time spent up to now is 60.6 secs Computing kpt #: 113 total cpu time spent up to now is 61.1 secs Computing kpt #: 114 total cpu time spent up to now is 61.6 secs Computing kpt #: 115 total cpu time spent up to now is 62.1 secs Computing kpt #: 116 total cpu time spent up to now is 62.6 secs Computing kpt #: 117 total cpu time spent up to now is 63.0 secs Computing kpt #: 118 total cpu time spent up to now is 63.5 secs Computing kpt #: 119 total cpu time spent up to now is 64.0 secs Computing kpt #: 120 total cpu time spent up to now is 64.6 secs Computing kpt #: 121 total cpu time spent up to now is 65.1 secs Computing kpt #: 122 total cpu time spent up to now is 65.6 secs Computing kpt #: 123 total cpu time spent up to now is 66.2 secs Computing kpt #: 124 total cpu time spent up to now is 66.8 secs Computing kpt #: 125 total cpu time spent up to now is 67.3 secs Computing kpt #: 126 total cpu time spent up to now is 67.8 secs Computing kpt #: 127 total cpu time spent up to now is 68.3 secs Computing kpt #: 128 total cpu time spent up to now is 68.8 secs Computing kpt #: 129 total cpu time spent up to now is 69.3 secs Computing kpt #: 130 total cpu time spent up to now is 69.8 secs Computing kpt #: 131 total cpu time spent up to now is 70.4 secs Computing kpt #: 132 total cpu time spent up to now is 71.0 secs Computing kpt #: 133 total cpu time spent up to now is 71.5 secs Computing kpt #: 134 total cpu time spent up to now is 72.1 secs Computing kpt #: 135 total cpu time spent up to now is 72.6 secs Computing kpt #: 136 total cpu time spent up to now is 73.2 secs Computing kpt #: 137 total cpu time spent up to now is 73.7 secs Computing kpt #: 138 total cpu time spent up to now is 74.3 secs Computing kpt #: 139 total cpu time spent up to now is 74.9 secs Computing kpt #: 140 total cpu time spent up to now is 75.5 secs Computing kpt #: 141 total cpu time spent up to now is 76.1 secs Computing kpt #: 142 total cpu time spent up to now is 76.7 secs Computing kpt #: 143 total cpu time spent up to now is 77.4 secs Computing kpt #: 144 total cpu time spent up to now is 78.0 secs Computing kpt #: 145 total cpu time spent up to now is 78.6 secs Computing kpt #: 146 total cpu time spent up to now is 79.1 secs Computing kpt #: 147 total cpu time spent up to now is 79.6 secs Computing kpt #: 148 total cpu time spent up to now is 80.3 secs Computing kpt #: 149 total cpu time spent up to now is 80.9 secs Computing kpt #: 150 total cpu time spent up to now is 81.5 secs Computing kpt #: 151 total cpu time spent up to now is 82.1 secs Computing kpt #: 152 total cpu time spent up to now is 82.7 secs Computing kpt #: 153 total cpu time spent up to now is 83.3 secs Computing kpt #: 154 total cpu time spent up to now is 83.9 secs Computing kpt #: 155 total cpu time spent up to now is 84.4 secs Computing kpt #: 156 total cpu time spent up to now is 85.0 secs Computing kpt #: 157 total cpu time spent up to now is 85.7 secs Computing kpt #: 158 total cpu time spent up to now is 86.3 secs Computing kpt #: 159 total cpu time spent up to now is 86.9 secs Computing kpt #: 160 total cpu time spent up to now is 87.5 secs Computing kpt #: 161 total cpu time spent up to now is 88.1 secs Computing kpt #: 162 total cpu time spent up to now is 88.6 secs Computing kpt #: 163 total cpu time spent up to now is 89.2 secs Computing kpt #: 164 total cpu time spent up to now is 89.7 secs Computing kpt #: 165 total cpu time spent up to now is 90.4 secs Computing kpt #: 166 total cpu time spent up to now is 90.9 secs Computing kpt #: 167 total cpu time spent up to now is 91.5 secs Computing kpt #: 168 total cpu time spent up to now is 92.2 secs Computing kpt #: 169 total cpu time spent up to now is 92.8 secs Computing kpt #: 170 total cpu time spent up to now is 93.4 secs Computing kpt #: 171 total cpu time spent up to now is 94.0 secs Computing kpt #: 172 total cpu time spent up to now is 94.6 secs Computing kpt #: 173 total cpu time spent up to now is 95.3 secs Computing kpt #: 174 total cpu time spent up to now is 95.9 secs Computing kpt #: 175 total cpu time spent up to now is 96.5 secs Computing kpt #: 176 total cpu time spent up to now is 97.0 secs Computing kpt #: 177 total cpu time spent up to now is 97.6 secs Computing kpt #: 178 total cpu time spent up to now is 98.0 secs Computing kpt #: 179 total cpu time spent up to now is 98.6 secs Computing kpt #: 180 total cpu time spent up to now is 99.1 secs Computing kpt #: 181 total cpu time spent up to now is 99.6 secs Computing kpt #: 182 total cpu time spent up to now is 100.2 secs Computing kpt #: 183 total cpu time spent up to now is 100.7 secs Computing kpt #: 184 total cpu time spent up to now is 101.2 secs Computing kpt #: 185 total cpu time spent up to now is 101.8 secs Computing kpt #: 186 total cpu time spent up to now is 102.3 secs Computing kpt #: 187 total cpu time spent up to now is 102.8 secs Computing kpt #: 188 total cpu time spent up to now is 103.4 secs Computing kpt #: 189 total cpu time spent up to now is 103.8 secs Computing kpt #: 190 total cpu time spent up to now is 104.4 secs Computing kpt #: 191 total cpu time spent up to now is 104.8 secs Computing kpt #: 192 total cpu time spent up to now is 105.3 secs Computing kpt #: 193 total cpu time spent up to now is 105.8 secs Computing kpt #: 194 total cpu time spent up to now is 106.3 secs Computing kpt #: 195 total cpu time spent up to now is 106.8 secs Computing kpt #: 196 total cpu time spent up to now is 107.2 secs Computing kpt #: 197 total cpu time spent up to now is 107.8 secs Computing kpt #: 198 total cpu time spent up to now is 108.3 secs Computing kpt #: 199 total cpu time spent up to now is 108.8 secs Computing kpt #: 200 total cpu time spent up to now is 109.2 secs Computing kpt #: 201 total cpu time spent up to now is 109.6 secs Computing kpt #: 202 total cpu time spent up to now is 110.1 secs Computing kpt #: 203 total cpu time spent up to now is 110.6 secs Computing kpt #: 204 total cpu time spent up to now is 111.1 secs Computing kpt #: 205 total cpu time spent up to now is 111.6 secs Computing kpt #: 206 total cpu time spent up to now is 112.1 secs Computing kpt #: 207 total cpu time spent up to now is 112.6 secs Computing kpt #: 208 total cpu time spent up to now is 113.2 secs Computing kpt #: 209 total cpu time spent up to now is 113.7 secs Computing kpt #: 210 total cpu time spent up to now is 114.2 secs Computing kpt #: 211 total cpu time spent up to now is 114.6 secs Computing kpt #: 212 total cpu time spent up to now is 115.2 secs Computing kpt #: 213 total cpu time spent up to now is 115.7 secs Computing kpt #: 214 total cpu time spent up to now is 116.2 secs Computing kpt #: 215 total cpu time spent up to now is 116.7 secs Computing kpt #: 216 total cpu time spent up to now is 117.2 secs Computing kpt #: 217 total cpu time spent up to now is 117.7 secs Computing kpt #: 218 total cpu time spent up to now is 118.2 secs Computing kpt #: 219 total cpu time spent up to now is 118.7 secs Computing kpt #: 220 total cpu time spent up to now is 119.3 secs Computing kpt #: 221 total cpu time spent up to now is 119.8 secs Computing kpt #: 222 total cpu time spent up to now is 120.3 secs Computing kpt #: 223 total cpu time spent up to now is 120.8 secs Computing kpt #: 224 total cpu time spent up to now is 121.2 secs Computing kpt #: 225 total cpu time spent up to now is 121.8 secs Computing kpt #: 226 total cpu time spent up to now is 122.2 secs Computing kpt #: 227 total cpu time spent up to now is 122.8 secs Computing kpt #: 228 total cpu time spent up to now is 123.3 secs Computing kpt #: 229 total cpu time spent up to now is 123.8 secs Computing kpt #: 230 total cpu time spent up to now is 124.3 secs Computing kpt #: 231 total cpu time spent up to now is 124.8 secs Computing kpt #: 232 total cpu time spent up to now is 125.3 secs Computing kpt #: 233 total cpu time spent up to now is 125.8 secs Computing kpt #: 234 total cpu time spent up to now is 126.2 secs Computing kpt #: 235 total cpu time spent up to now is 126.8 secs Computing kpt #: 236 total cpu time spent up to now is 127.2 secs Computing kpt #: 237 total cpu time spent up to now is 127.7 secs Computing kpt #: 238 total cpu time spent up to now is 128.2 secs Computing kpt #: 239 total cpu time spent up to now is 128.7 secs Computing kpt #: 240 total cpu time spent up to now is 129.2 secs Computing kpt #: 241 total cpu time spent up to now is 129.6 secs Computing kpt #: 242 total cpu time spent up to now is 130.1 secs Computing kpt #: 243 total cpu time spent up to now is 130.6 secs Computing kpt #: 244 total cpu time spent up to now is 131.2 secs Computing kpt #: 245 total cpu time spent up to now is 131.7 secs Computing kpt #: 246 total cpu time spent up to now is 132.2 secs Computing kpt #: 247 total cpu time spent up to now is 132.7 secs Computing kpt #: 248 total cpu time spent up to now is 133.2 secs Computing kpt #: 249 total cpu time spent up to now is 133.7 secs Computing kpt #: 250 total cpu time spent up to now is 134.2 secs Computing kpt #: 251 total cpu time spent up to now is 134.8 secs Computing kpt #: 252 total cpu time spent up to now is 135.2 secs Computing kpt #: 253 total cpu time spent up to now is 135.8 secs Computing kpt #: 254 total cpu time spent up to now is 136.3 secs Computing kpt #: 255 total cpu time spent up to now is 136.9 secs Computing kpt #: 256 total cpu time spent up to now is 137.5 secs Computing kpt #: 257 total cpu time spent up to now is 138.1 secs Computing kpt #: 258 total cpu time spent up to now is 138.7 secs Computing kpt #: 259 total cpu time spent up to now is 139.4 secs Computing kpt #: 260 total cpu time spent up to now is 140.0 secs Computing kpt #: 261 total cpu time spent up to now is 140.7 secs Computing kpt #: 262 total cpu time spent up to now is 141.3 secs Computing kpt #: 263 total cpu time spent up to now is 142.0 secs Computing kpt #: 264 total cpu time spent up to now is 142.6 secs Computing kpt #: 265 total cpu time spent up to now is 143.4 secs Computing kpt #: 266 total cpu time spent up to now is 144.0 secs Computing kpt #: 267 total cpu time spent up to now is 144.5 secs Computing kpt #: 268 total cpu time spent up to now is 145.0 secs Computing kpt #: 269 total cpu time spent up to now is 145.5 secs Computing kpt #: 270 total cpu time spent up to now is 146.0 secs Computing kpt #: 271 total cpu time spent up to now is 146.5 secs Computing kpt #: 272 total cpu time spent up to now is 147.0 secs Computing kpt #: 273 total cpu time spent up to now is 147.5 secs Computing kpt #: 274 total cpu time spent up to now is 148.0 secs Computing kpt #: 275 total cpu time spent up to now is 148.5 secs Computing kpt #: 276 total cpu time spent up to now is 149.1 secs Computing kpt #: 277 total cpu time spent up to now is 149.7 secs Computing kpt #: 278 total cpu time spent up to now is 150.2 secs Computing kpt #: 279 total cpu time spent up to now is 150.7 secs Computing kpt #: 280 total cpu time spent up to now is 151.2 secs Computing kpt #: 281 total cpu time spent up to now is 151.7 secs Computing kpt #: 282 total cpu time spent up to now is 152.2 secs Computing kpt #: 283 total cpu time spent up to now is 152.7 secs Computing kpt #: 284 total cpu time spent up to now is 153.2 secs Computing kpt #: 285 total cpu time spent up to now is 153.7 secs Computing kpt #: 286 total cpu time spent up to now is 154.2 secs Computing kpt #: 287 total cpu time spent up to now is 154.7 secs Computing kpt #: 288 total cpu time spent up to now is 155.2 secs Computing kpt #: 289 total cpu time spent up to now is 155.7 secs Computing kpt #: 290 total cpu time spent up to now is 156.2 secs Computing kpt #: 291 total cpu time spent up to now is 156.8 secs Computing kpt #: 292 total cpu time spent up to now is 157.3 secs Computing kpt #: 293 total cpu time spent up to now is 157.8 secs Computing kpt #: 294 total cpu time spent up to now is 158.3 secs Computing kpt #: 295 total cpu time spent up to now is 158.8 secs Computing kpt #: 296 total cpu time spent up to now is 159.3 secs Computing kpt #: 297 total cpu time spent up to now is 160.0 secs Computing kpt #: 298 total cpu time spent up to now is 160.6 secs Computing kpt #: 299 total cpu time spent up to now is 161.2 secs Computing kpt #: 300 total cpu time spent up to now is 161.8 secs Computing kpt #: 301 total cpu time spent up to now is 162.3 secs Computing kpt #: 302 total cpu time spent up to now is 162.9 secs Computing kpt #: 303 total cpu time spent up to now is 163.4 secs Computing kpt #: 304 total cpu time spent up to now is 163.9 secs Computing kpt #: 305 total cpu time spent up to now is 164.5 secs Computing kpt #: 306 total cpu time spent up to now is 165.0 secs Computing kpt #: 307 total cpu time spent up to now is 165.5 secs Computing kpt #: 308 total cpu time spent up to now is 166.1 secs Computing kpt #: 309 total cpu time spent up to now is 166.6 secs Computing kpt #: 310 total cpu time spent up to now is 167.1 secs Computing kpt #: 311 total cpu time spent up to now is 167.6 secs Computing kpt #: 312 total cpu time spent up to now is 168.1 secs Computing kpt #: 313 total cpu time spent up to now is 168.6 secs Computing kpt #: 314 total cpu time spent up to now is 169.2 secs Computing kpt #: 315 total cpu time spent up to now is 169.7 secs Computing kpt #: 316 total cpu time spent up to now is 170.2 secs Computing kpt #: 317 total cpu time spent up to now is 170.7 secs Computing kpt #: 318 total cpu time spent up to now is 171.2 secs Computing kpt #: 319 total cpu time spent up to now is 171.7 secs Computing kpt #: 320 total cpu time spent up to now is 172.2 secs Computing kpt #: 321 total cpu time spent up to now is 172.8 secs Computing kpt #: 322 total cpu time spent up to now is 173.3 secs Computing kpt #: 323 total cpu time spent up to now is 173.9 secs Computing kpt #: 324 total cpu time spent up to now is 174.4 secs Computing kpt #: 325 total cpu time spent up to now is 174.9 secs Computing kpt #: 326 total cpu time spent up to now is 175.4 secs Computing kpt #: 327 total cpu time spent up to now is 175.9 secs Computing kpt #: 328 total cpu time spent up to now is 176.4 secs Computing kpt #: 329 total cpu time spent up to now is 176.9 secs Computing kpt #: 330 total cpu time spent up to now is 177.4 secs Computing kpt #: 331 total cpu time spent up to now is 177.9 secs Computing kpt #: 332 total cpu time spent up to now is 178.4 secs Computing kpt #: 333 total cpu time spent up to now is 178.9 secs Computing kpt #: 334 total cpu time spent up to now is 179.4 secs Computing kpt #: 335 total cpu time spent up to now is 179.9 secs Computing kpt #: 336 total cpu time spent up to now is 180.4 secs Computing kpt #: 337 total cpu time spent up to now is 180.9 secs Computing kpt #: 338 total cpu time spent up to now is 181.5 secs Computing kpt #: 339 total cpu time spent up to now is 182.0 secs Computing kpt #: 340 total cpu time spent up to now is 182.5 secs Computing kpt #: 341 total cpu time spent up to now is 183.0 secs Computing kpt #: 342 total cpu time spent up to now is 183.5 secs Computing kpt #: 343 total cpu time spent up to now is 184.1 secs Computing kpt #: 344 total cpu time spent up to now is 184.7 secs Computing kpt #: 345 total cpu time spent up to now is 185.2 secs Computing kpt #: 346 total cpu time spent up to now is 185.7 secs Computing kpt #: 347 total cpu time spent up to now is 186.2 secs Computing kpt #: 348 total cpu time spent up to now is 186.7 secs Computing kpt #: 349 total cpu time spent up to now is 187.2 secs Computing kpt #: 350 total cpu time spent up to now is 187.8 secs Computing kpt #: 351 total cpu time spent up to now is 188.3 secs Computing kpt #: 352 total cpu time spent up to now is 188.8 secs Computing kpt #: 353 total cpu time spent up to now is 189.4 secs Computing kpt #: 354 total cpu time spent up to now is 189.9 secs Computing kpt #: 355 total cpu time spent up to now is 190.6 secs Computing kpt #: 356 total cpu time spent up to now is 191.1 secs Computing kpt #: 357 total cpu time spent up to now is 191.7 secs Computing kpt #: 358 total cpu time spent up to now is 192.3 secs Computing kpt #: 359 total cpu time spent up to now is 193.0 secs Computing kpt #: 360 total cpu time spent up to now is 193.6 secs Computing kpt #: 361 total cpu time spent up to now is 194.1 secs Computing kpt #: 362 total cpu time spent up to now is 194.6 secs Computing kpt #: 363 total cpu time spent up to now is 195.2 secs Computing kpt #: 364 total cpu time spent up to now is 195.7 secs Computing kpt #: 365 total cpu time spent up to now is 196.2 secs Computing kpt #: 366 total cpu time spent up to now is 196.7 secs Computing kpt #: 367 total cpu time spent up to now is 197.2 secs Computing kpt #: 368 total cpu time spent up to now is 197.7 secs Computing kpt #: 369 total cpu time spent up to now is 198.2 secs Computing kpt #: 370 total cpu time spent up to now is 198.7 secs Computing kpt #: 371 total cpu time spent up to now is 199.2 secs Computing kpt #: 372 total cpu time spent up to now is 199.7 secs Computing kpt #: 373 total cpu time spent up to now is 200.2 secs Computing kpt #: 374 total cpu time spent up to now is 200.7 secs Computing kpt #: 375 total cpu time spent up to now is 201.2 secs Computing kpt #: 376 total cpu time spent up to now is 201.7 secs Computing kpt #: 377 total cpu time spent up to now is 202.2 secs ethr = 3.57E-08, avg # of iterations = 17.0 total cpu time spent up to now is 202.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0287 -37.0287 -36.0762 -36.0762 -36.0305 -36.0305 -7.9407 -7.9407 -7.1591 -7.1591 0.6200 0.6200 2.7393 2.7393 3.2114 3.2114 3.4836 3.4836 4.6626 4.6626 4.7192 4.7192 5.7378 5.7378 5.8845 5.8845 6.0275 6.0275 6.8794 6.8794 7.5422 7.5422 9.0766 9.0766 k = 0.0106 0.0057-0.0054 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9401 -7.9401 -7.1590 -7.1590 0.6214 0.6214 2.7379 2.7379 3.2092 3.2092 3.4824 3.4824 4.6597 4.6597 4.7144 4.7144 5.7382 5.7382 5.8844 5.8844 6.0298 6.0298 6.8769 6.8769 7.5414 7.5414 9.0823 9.0823 k = 0.0213 0.0114-0.0108 ( 8086 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9381 -7.9381 -7.1589 -7.1589 0.6254 0.6254 2.7340 2.7340 3.2027 3.2027 3.4785 3.4785 4.6503 4.6503 4.7014 4.7014 5.7409 5.7409 5.8867 5.8867 6.0352 6.0352 6.8719 6.8719 7.5387 7.5387 9.0994 9.0994 k = 0.0319 0.0171-0.0161 ( 8086 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9348 -7.9348 -7.1587 -7.1587 0.6320 0.6320 2.7273 2.7273 3.1922 3.1922 3.4717 3.4717 4.6315 4.6315 4.6839 4.6839 5.7444 5.7444 5.8911 5.8911 6.0449 6.0449 6.8637 6.8637 7.5342 7.5342 9.1275 9.1275 k = 0.0426 0.0228-0.0215 ( 8092 PWs) bands (ev): -64.9395 -64.9395 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9303 -7.9303 -7.1584 -7.1584 0.6413 0.6413 2.7175 2.7175 3.1782 3.1782 3.4617 3.4617 4.6004 4.6004 4.6661 4.6661 5.7478 5.7478 5.8972 5.8972 6.0577 6.0577 6.8518 6.8518 7.5278 7.5278 9.1660 9.1660 k = 0.0532 0.0285-0.0269 ( 8092 PWs) bands (ev): -64.9395 -64.9395 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9244 -7.9244 -7.1581 -7.1581 0.6532 0.6532 2.7048 2.7048 3.1616 3.1616 3.4481 3.4481 4.5580 4.5580 4.6489 4.6489 5.7526 5.7526 5.9049 5.9049 6.0740 6.0740 6.8366 6.8366 7.5218 7.5218 9.2143 9.2143 k = 0.0638 0.0343-0.0323 ( 8100 PWs) bands (ev): -64.9398 -64.9398 -37.0289 -37.0289 -36.0764 -36.0764 -36.0308 -36.0308 -7.9173 -7.9173 -7.1576 -7.1576 0.6675 0.6675 2.6885 2.6885 3.1427 3.1427 3.4303 3.4303 4.5075 4.5075 4.6309 4.6309 5.7561 5.7561 5.9139 5.9139 6.0922 6.0922 6.8202 6.8202 7.5130 7.5130 9.2718 9.2718 k = 0.0745 0.0400-0.0376 ( 8094 PWs) bands (ev): -64.9396 -64.9396 -37.0289 -37.0289 -36.0763 -36.0763 -36.0308 -36.0308 -7.9089 -7.9089 -7.1571 -7.1571 0.6843 0.6843 2.6688 2.6688 3.1228 3.1228 3.4080 3.4080 4.4515 4.4515 4.6112 4.6112 5.7606 5.7606 5.9243 5.9243 6.1128 6.1128 6.8044 6.8044 7.5050 7.5050 9.3375 9.3375 k = 0.0851 0.0457-0.0430 ( 8103 PWs) bands (ev): -64.9400 -64.9400 -37.0289 -37.0289 -36.0764 -36.0764 -36.0309 -36.0309 -7.8993 -7.8993 -7.1565 -7.1565 0.7035 0.7035 2.6450 2.6450 3.1021 3.1021 3.3809 3.3809 4.3921 4.3921 4.5897 4.5897 5.7632 5.7632 5.9344 5.9344 6.1334 6.1334 6.7867 6.7867 7.4961 7.4961 9.4101 9.4101 k = 0.0957 0.0514-0.0484 ( 8099 PWs) bands (ev): -64.9398 -64.9398 -37.0289 -37.0289 -36.0763 -36.0763 -36.0309 -36.0309 -7.8885 -7.8885 -7.1558 -7.1558 0.7248 0.7248 2.6173 2.6173 3.0813 3.0813 3.3488 3.3488 4.3311 4.3311 4.5661 4.5661 5.7667 5.7667 5.9466 5.9466 6.1558 6.1558 6.7708 6.7708 7.4868 7.4868 9.4888 9.4888 k = 0.1064 0.0571-0.0538 ( 8105 PWs) bands (ev): -64.9401 -64.9401 -37.0290 -37.0290 -36.0765 -36.0765 -36.0309 -36.0309 -7.8765 -7.8765 -7.1551 -7.1551 0.7482 0.7482 2.5853 2.5853 3.0607 3.0607 3.3118 3.3118 4.2697 4.2697 4.5406 4.5406 5.7663 5.7663 5.9595 5.9595 6.1774 6.1774 6.7558 6.7558 7.4776 7.4776 9.5718 9.5718 k = 0.1170 0.0628-0.0591 ( 8102 PWs) bands (ev): -64.9400 -64.9400 -37.0290 -37.0290 -36.0765 -36.0765 -36.0309 -36.0309 -7.8634 -7.8634 -7.1543 -7.1543 0.7735 0.7735 2.5491 2.5491 3.0405 3.0405 3.2701 3.2701 4.2092 4.2092 4.5134 4.5134 5.7675 5.7675 5.9730 5.9730 6.1995 6.1995 6.7428 6.7428 7.4689 7.4689 9.6580 9.6580 k = 0.1277 0.0685-0.0645 ( 8106 PWs) bands (ev): -64.9402 -64.9402 -37.0290 -37.0290 -36.0765 -36.0765 -36.0310 -36.0310 -7.8492 -7.8492 -7.1534 -7.1534 0.8006 0.8006 2.5085 2.5085 3.0204 3.0204 3.2245 3.2245 4.1504 4.1504 4.4844 4.4844 5.7675 5.7675 5.9864 5.9864 6.2199 6.2199 6.7310 6.7310 7.4604 7.4604 9.7457 9.7457 k = 0.1383 0.0742-0.0699 ( 8101 PWs) bands (ev): -64.9399 -64.9399 -37.0290 -37.0290 -36.0765 -36.0765 -36.0310 -36.0310 -7.8339 -7.8339 -7.1524 -7.1524 0.8292 0.8292 2.4641 2.4641 3.0000 3.0000 3.1764 3.1764 4.0940 4.0940 4.4540 4.4540 5.7667 5.7667 6.0004 6.0004 6.2393 6.2393 6.7233 6.7233 7.4543 7.4543 9.8336 9.8336 k = 0.1489 0.0799-0.0753 ( 8101 PWs) bands (ev): -64.9400 -64.9400 -37.0291 -37.0291 -36.0765 -36.0765 -36.0310 -36.0310 -7.8177 -7.8177 -7.1514 -7.1514 0.8590 0.8590 2.4156 2.4156 2.9772 2.9772 3.1281 3.1281 4.0401 4.0401 4.4224 4.4224 5.7660 5.7660 6.0138 6.0138 6.2558 6.2558 6.7182 6.7182 7.4481 7.4481 9.9199 9.9199 k = 0.1596 0.0856-0.0806 ( 8095 PWs) bands (ev): -64.9397 -64.9397 -37.0290 -37.0290 -36.0765 -36.0765 -36.0310 -36.0310 -7.8004 -7.8004 -7.1503 -7.1503 0.8898 0.8898 2.3636 2.3636 2.9494 2.9494 3.0835 3.0835 3.9890 3.9890 4.3896 4.3896 5.7648 5.7648 6.0274 6.0274 6.2712 6.2712 6.7180 6.7180 7.4427 7.4427 10.0032 10.0032 k = 0.1702 0.0913-0.0860 ( 8090 PWs) bands (ev): -64.9395 -64.9395 -37.0290 -37.0290 -36.0765 -36.0765 -36.0310 -36.0310 -7.7823 -7.7823 -7.1492 -7.1492 0.9212 0.9212 2.3081 2.3081 2.9132 2.9132 3.0470 3.0470 3.9405 3.9405 4.3560 4.3560 5.7627 5.7627 6.0410 6.0410 6.2843 6.2843 6.7206 6.7206 7.4388 7.4388 10.0814 10.0814 k = 0.1809 0.0971-0.0914 ( 8095 PWs) bands (ev): -64.9397 -64.9397 -37.0291 -37.0291 -36.0765 -36.0765 -36.0311 -36.0311 -7.7633 -7.7633 -7.1480 -7.1480 0.9527 0.9527 2.2495 2.2495 2.8681 2.8681 3.0199 3.0199 3.8944 3.8944 4.3216 4.3216 5.7587 5.7587 6.0530 6.0530 6.2944 6.2944 6.7273 6.7273 7.4347 7.4347 10.1529 10.1529 k = 0.1915 0.1028-0.0968 ( 8091 PWs) bands (ev): -64.9395 -64.9395 -37.0291 -37.0291 -36.0765 -36.0765 -36.0311 -36.0311 -7.7435 -7.7435 -7.1468 -7.1468 0.9840 0.9840 2.1877 2.1877 2.8175 2.8175 3.0008 3.0008 3.8508 3.8508 4.2867 4.2867 5.7553 5.7553 6.0657 6.0657 6.3024 6.3024 6.7377 6.7377 7.4326 7.4326 10.2160 10.2160 k = 0.2021 0.1085-0.1021 ( 8093 PWs) bands (ev): -64.9396 -64.9396 -37.0291 -37.0291 -36.0766 -36.0766 -36.0312 -36.0312 -7.7230 -7.7230 -7.1455 -7.1455 1.0145 1.0145 2.1231 2.1231 2.7652 2.7652 2.9866 2.9866 3.8092 3.8092 4.2515 4.2515 5.7511 5.7511 6.0775 6.0775 6.3073 6.3073 6.7506 6.7506 7.4317 7.4317 10.2689 10.2689 k = 0.2128 0.1142-0.1075 ( 8081 PWs) bands (ev): -64.9391 -64.9391 -37.0291 -37.0291 -36.0765 -36.0765 -36.0311 -36.0311 -7.7018 -7.7018 -7.1442 -7.1442 1.0437 1.0437 2.0561 2.0561 2.7143 2.7143 2.9756 2.9756 3.7695 3.7695 4.2161 4.2161 5.7463 5.7463 6.0911 6.0911 6.3135 6.3135 6.7667 6.7667 7.4322 7.4322 10.3100 10.3100 k = 0.2234 0.1199-0.1129 ( 8081 PWs) bands (ev): -64.9391 -64.9391 -37.0291 -37.0291 -36.0766 -36.0766 -36.0311 -36.0311 -7.6801 -7.6801 -7.1429 -7.1429 1.0708 1.0708 1.9867 1.9867 2.6669 2.6669 2.9665 2.9665 3.7314 3.7314 4.1807 4.1807 5.7410 5.7410 6.1026 6.1026 6.3163 6.3163 6.7845 6.7845 7.4328 7.4328 10.3330 10.3330 k = 0.2340 0.1256-0.1183 ( 8090 PWs) bands (ev): -64.9396 -64.9396 -37.0292 -37.0292 -36.0766 -36.0766 -36.0312 -36.0312 -7.6578 -7.6578 -7.1416 -7.1416 1.0951 1.0951 1.9155 1.9155 2.6244 2.6244 2.9588 2.9588 3.6949 3.6949 4.1453 4.1453 5.7349 5.7349 6.1128 6.1128 6.3170 6.3170 6.8031 6.8031 7.4337 7.4337 10.3126 10.3126 k = 0.2447 0.1313-0.1236 ( 8092 PWs) bands (ev): -64.9397 -64.9397 -37.0292 -37.0292 -36.0767 -36.0767 -36.0313 -36.0313 -7.6351 -7.6351 -7.1403 -7.1403 1.1159 1.1159 1.8431 1.8431 2.5881 2.5881 2.9527 2.9527 3.6599 3.6599 4.1104 4.1104 5.7285 5.7285 6.1228 6.1228 6.3167 6.3167 6.8242 6.8242 7.4372 7.4372 10.2548 10.2548 k = 0.2553 0.1370-0.1290 ( 8088 PWs) bands (ev): -64.9395 -64.9395 -37.0292 -37.0292 -36.0766 -36.0766 -36.0314 -36.0314 -7.6121 -7.6121 -7.1391 -7.1391 1.1325 1.1325 1.7702 1.7702 2.5588 2.5588 2.9478 2.9478 3.6263 3.6263 4.0758 4.0758 5.7224 5.7224 6.1321 6.1321 6.3174 6.3174 6.8460 6.8460 7.4420 7.4420 10.1896 10.1896 k = 0.2660 0.1427-0.1344 ( 8084 PWs) bands (ev): -64.9393 -64.9393 -37.0292 -37.0292 -36.0766 -36.0766 -36.0314 -36.0314 -7.5888 -7.5888 -7.1378 -7.1378 1.1439 1.1439 1.6975 1.6975 2.5369 2.5369 2.9438 2.9438 3.5941 3.5941 4.0418 4.0418 5.7156 5.7156 6.1415 6.1415 6.3184 6.3184 6.8676 6.8676 7.4475 7.4475 10.1225 10.1225 k = 0.2766 0.1484-0.1398 ( 8078 PWs) bands (ev): -64.9391 -64.9391 -37.0292 -37.0292 -36.0766 -36.0766 -36.0314 -36.0314 -7.5654 -7.5654 -7.1366 -7.1366 1.1495 1.1495 1.6261 1.6261 2.5228 2.5228 2.9410 2.9410 3.5632 3.5632 4.0085 4.0085 5.7082 5.7082 6.1500 6.1500 6.3188 6.3188 6.8906 6.8906 7.4545 7.4545 10.0543 10.0543 k = 0.2872 0.1542-0.1451 ( 8078 PWs) bands (ev): -64.9391 -64.9391 -37.0293 -37.0293 -36.0766 -36.0766 -36.0314 -36.0314 -7.5419 -7.5419 -7.1355 -7.1355 1.1484 1.1484 1.5570 1.5570 2.5163 2.5163 2.9389 2.9389 3.5337 3.5337 3.9760 3.9760 5.7000 5.7000 6.1578 6.1578 6.3180 6.3180 6.9130 6.9130 7.4619 7.4619 9.9856 9.9856 k = 0.2979 0.1599-0.1505 ( 8084 PWs) bands (ev): -64.9394 -64.9394 -37.0293 -37.0293 -36.0767 -36.0767 -36.0315 -36.0315 -7.5184 -7.5184 -7.1345 -7.1345 1.1399 1.1399 1.4914 1.4914 2.5171 2.5171 2.9378 2.9378 3.5056 3.5056 3.9444 3.9444 5.6908 5.6908 6.1647 6.1647 6.3156 6.3156 6.9354 6.9354 7.4699 7.4699 9.9163 9.9163 k = 0.3085 0.1656-0.1559 ( 8090 PWs) bands (ev): -64.9397 -64.9397 -37.0294 -37.0294 -36.0768 -36.0768 -36.0316 -36.0316 -7.4951 -7.4951 -7.1336 -7.1336 1.1233 1.1233 1.4310 1.4310 2.5246 2.5246 2.9375 2.9375 3.4790 3.4790 3.9139 3.9139 5.6804 5.6804 6.1705 6.1705 6.3152 6.3152 6.9574 6.9574 7.4779 7.4779 9.8468 9.8468 k = 0.3191 0.1713-0.1613 ( 8087 PWs) bands (ev): -64.9396 -64.9396 -37.0294 -37.0294 -36.0768 -36.0768 -36.0316 -36.0316 -7.4719 -7.4719 -7.1329 -7.1329 1.0981 1.0981 1.3771 1.3771 2.5379 2.5379 2.9387 2.9387 3.4539 3.4539 3.8845 3.8845 5.6703 5.6703 6.1767 6.1767 6.3148 6.3148 6.9791 6.9791 7.4882 7.4882 9.7770 9.7770 k = 0.3298 0.1770-0.1666 ( 8085 PWs) bands (ev): -64.9395 -64.9395 -37.0294 -37.0294 -36.0768 -36.0768 -36.0316 -36.0316 -7.4491 -7.4491 -7.1323 -7.1323 1.0645 1.0645 1.3305 1.3305 2.5560 2.5560 2.9406 2.9406 3.4305 3.4305 3.8564 3.8564 5.6608 5.6608 6.1825 6.1825 6.3151 6.3151 6.9999 6.9999 7.4972 7.4972 9.7073 9.7073 k = 0.3404 0.1827-0.1720 ( 8078 PWs) bands (ev): -64.9392 -64.9392 -37.0294 -37.0294 -36.0768 -36.0768 -36.0316 -36.0316 -7.4267 -7.4267 -7.1319 -7.1319 1.0239 1.0239 1.2908 1.2908 2.5778 2.5778 2.9436 2.9436 3.4088 3.4088 3.8297 3.8297 5.6509 5.6509 6.1885 6.1885 6.3167 6.3167 7.0202 7.0202 7.5066 7.5066 9.6379 9.6379 k = 0.3511 0.1884-0.1774 ( 8083 PWs) bands (ev): -64.9394 -64.9394 -37.0295 -37.0295 -36.0769 -36.0769 -36.0317 -36.0317 -7.4048 -7.4048 -7.1317 -7.1317 0.9782 0.9782 1.2569 1.2569 2.6020 2.6020 2.9479 2.9479 3.3889 3.3889 3.8044 3.8044 5.6400 5.6400 6.1935 6.1935 6.3156 6.3156 7.0387 7.0387 7.5161 7.5161 9.5688 9.5688 k = 0.3617 0.1941-0.1828 ( 8081 PWs) bands (ev): -64.9394 -64.9394 -37.0295 -37.0295 -36.0769 -36.0769 -36.0317 -36.0317 -7.3835 -7.3835 -7.1317 -7.1317 0.9299 0.9299 1.2274 1.2274 2.6276 2.6276 2.9534 2.9534 3.3711 3.3711 3.7809 3.7809 5.6290 5.6290 6.1979 6.1979 6.3159 6.3159 7.0573 7.0573 7.5261 7.5261 9.5008 9.5008 k = 0.3723 0.1998-0.1881 ( 8074 PWs) bands (ev): -64.9390 -64.9390 -37.0294 -37.0294 -36.0768 -36.0768 -36.0317 -36.0317 -7.3629 -7.3629 -7.1321 -7.1321 0.8810 0.8810 1.2011 1.2011 2.6534 2.6534 2.9602 2.9602 3.3553 3.3553 3.7592 3.7592 5.6194 5.6194 6.2020 6.2020 6.3157 6.3157 7.0751 7.0751 7.5366 7.5366 9.4343 9.4343 k = 0.3830 0.2055-0.1935 ( 8070 PWs) bands (ev): -64.9388 -64.9388 -37.0294 -37.0294 -36.0768 -36.0768 -36.0317 -36.0317 -7.3431 -7.3431 -7.1327 -7.1327 0.8332 0.8332 1.1773 1.1773 2.6783 2.6783 2.9680 2.9680 3.3417 3.3417 3.7393 3.7393 5.6086 5.6086 6.2058 6.2058 6.3173 6.3173 7.0910 7.0910 7.5459 7.5459 9.3700 9.3700 k = 0.3936 0.2112-0.1989 ( 8074 PWs) bands (ev): -64.9390 -64.9390 -37.0295 -37.0295 -36.0769 -36.0769 -36.0317 -36.0317 -7.3241 -7.3241 -7.1337 -7.1337 0.7873 0.7873 1.1556 1.1556 2.7015 2.7015 2.9765 2.9765 3.3304 3.3304 3.7215 3.7215 5.5972 5.5972 6.2091 6.2091 6.3173 6.3173 7.1052 7.1052 7.5545 7.5545 9.3081 9.3081 k = 0.4043 0.2170-0.2043 ( 8077 PWs) bands (ev): -64.9392 -64.9392 -37.0295 -37.0295 -36.0769 -36.0769 -36.0318 -36.0318 -7.3061 -7.3061 -7.1351 -7.1351 0.7443 0.7443 1.1358 1.1358 2.7223 2.7223 2.9855 2.9855 3.3213 3.3213 3.7057 3.7057 5.5869 5.5869 6.2126 6.2126 6.3168 6.3168 7.1182 7.1182 7.5619 7.5619 9.2497 9.2497 k = 0.4149 0.2227-0.2096 ( 8077 PWs) bands (ev): -64.9392 -64.9392 -37.0295 -37.0295 -36.0769 -36.0769 -36.0318 -36.0318 -7.2892 -7.2892 -7.1369 -7.1369 0.7047 0.7047 1.1178 1.1178 2.7405 2.7405 2.9946 2.9946 3.3146 3.3146 3.6922 3.6922 5.5771 5.5771 6.2154 6.2154 6.3169 6.3169 7.1304 7.1304 7.5692 7.5692 9.1953 9.1953 k = 0.4255 0.2284-0.2150 ( 8078 PWs) bands (ev): -64.9393 -64.9393 -37.0296 -37.0296 -36.0769 -36.0769 -36.0318 -36.0318 -7.2733 -7.2733 -7.1391 -7.1391 0.6691 0.6691 1.1017 1.1017 2.7560 2.7560 3.0033 3.0033 3.3101 3.3101 3.6809 3.6809 5.5676 5.5676 6.2168 6.2168 6.3173 6.3173 7.1412 7.1412 7.5762 7.5762 9.1455 9.1455 k = 0.4362 0.2341-0.2204 ( 8086 PWs) bands (ev): -64.9396 -64.9396 -37.0296 -37.0296 -36.0770 -36.0770 -36.0319 -36.0319 -7.2586 -7.2586 -7.1417 -7.1417 0.6375 0.6375 1.0876 1.0876 2.7688 2.7688 3.0110 3.0110 3.3073 3.3073 3.6718 3.6718 5.5587 5.5587 6.2181 6.2181 6.3167 6.3167 7.1502 7.1502 7.5811 7.5811 9.1010 9.1010 k = 0.4468 0.2398-0.2258 ( 8092 PWs) bands (ev): -64.9399 -64.9399 -37.0297 -37.0297 -36.0771 -36.0771 -36.0320 -36.0320 -7.2452 -7.2452 -7.1448 -7.1448 0.6105 0.6105 1.0755 1.0755 2.7790 2.7790 3.0176 3.0176 3.3060 3.3060 3.6647 3.6647 5.5509 5.5509 6.2187 6.2187 6.3164 6.3164 7.1580 7.1580 7.5855 7.5855 9.0624 9.0624 k = 0.4574 0.2455-0.2311 ( 8091 PWs) bands (ev): -64.9399 -64.9399 -37.0297 -37.0297 -36.0771 -36.0771 -36.0320 -36.0320 -7.2332 -7.2332 -7.1482 -7.1482 0.5882 0.5882 1.0655 1.0655 2.7872 2.7872 3.0228 3.0228 3.3059 3.3059 3.6595 3.6595 5.5446 5.5446 6.2205 6.2205 6.3162 6.3162 7.1645 7.1645 7.5900 7.5900 9.0300 9.0300 k = 0.4681 0.2512-0.2365 ( 8101 PWs) bands (ev): -64.9403 -64.9403 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2230 -7.2230 -7.1518 -7.1518 0.5705 0.5705 1.0576 1.0576 2.7932 2.7932 3.0267 3.0267 3.3063 3.3063 3.6559 3.6559 5.5382 5.5382 6.2199 6.2199 6.3151 6.3151 7.1697 7.1697 7.5931 7.5931 9.0043 9.0043 k = 0.4787 0.2569-0.2419 ( 8111 PWs) bands (ev): -64.9408 -64.9408 -37.0298 -37.0298 -36.0773 -36.0773 -36.0321 -36.0321 -7.2147 -7.2147 -7.1552 -7.1552 0.5579 0.5579 1.0520 1.0520 2.7973 2.7973 3.0294 3.0294 3.3067 3.3067 3.6536 3.6536 5.5332 5.5332 6.2203 6.2203 6.3143 6.3143 7.1726 7.1726 7.5943 7.5943 8.9857 8.9857 k = 0.4894 0.2626-0.2473 ( 8116 PWs) bands (ev): -64.9411 -64.9411 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2092 -7.2092 -7.1578 -7.1578 0.5503 0.5503 1.0485 1.0485 2.7997 2.7997 3.0309 3.0309 3.3071 3.3071 3.6523 3.6523 5.5301 5.5301 6.2204 6.2204 6.3141 6.3141 7.1741 7.1741 7.5955 7.5955 8.9745 8.9745 k = 0.5000 0.2683-0.2526 ( 8116 PWs) bands (ev): -64.9411 -64.9411 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2072 -7.2072 -7.1588 -7.1588 0.5478 0.5478 1.0474 1.0474 2.8006 2.8006 3.0314 3.0314 3.3073 3.3073 3.6519 3.6519 5.5296 5.5296 6.2198 6.2198 6.3141 6.3141 7.1751 7.1751 7.5962 7.5962 8.9707 8.9707 k = 0.5000 0.2683-0.2526 ( 8116 PWs) bands (ev): -64.9411 -64.9411 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2072 -7.2072 -7.1588 -7.1588 0.5478 0.5478 1.0474 1.0474 2.8006 2.8006 3.0314 3.0314 3.3073 3.3073 3.6519 3.6519 5.5296 5.5296 6.2198 6.2198 6.3141 6.3141 7.1751 7.1751 7.5962 7.5962 8.9707 8.9707 k = 0.5045 0.2707-0.2412 ( 8118 PWs) bands (ev): -64.9412 -64.9412 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2077 -7.2077 -7.1585 -7.1585 0.5485 0.5485 1.0486 1.0486 2.7993 2.7993 3.0315 3.0315 3.3055 3.3055 3.6520 3.6520 5.5297 5.5297 6.2196 6.2196 6.3141 6.3141 7.1733 7.1733 7.5950 7.5950 8.9723 8.9723 k = 0.5089 0.2731-0.2298 ( 8106 PWs) bands (ev): -64.9406 -64.9406 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2089 -7.2089 -7.1578 -7.1578 0.5508 0.5508 1.0523 1.0523 2.7958 2.7958 3.0318 3.0318 3.3007 3.3007 3.6522 3.6522 5.5311 5.5311 6.2212 6.2212 6.3155 6.3155 7.1696 7.1696 7.5936 7.5936 8.9773 8.9773 k = 0.5134 0.2755-0.2184 ( 8106 PWs) bands (ev): -64.9406 -64.9406 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2110 -7.2110 -7.1567 -7.1567 0.5546 0.5546 1.0584 1.0584 2.7897 2.7897 3.0322 3.0322 3.2924 3.2924 3.6526 3.6526 5.5326 5.5326 6.2217 6.2217 6.3155 6.3155 7.1620 7.1620 7.5891 7.5891 8.9857 8.9857 k = 0.5179 0.2779-0.2070 ( 8103 PWs) bands (ev): -64.9404 -64.9404 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2139 -7.2139 -7.1551 -7.1551 0.5599 0.5599 1.0669 1.0669 2.7811 2.7811 3.0327 3.0327 3.2813 3.2813 3.6530 3.6530 5.5353 5.5353 6.2219 6.2219 6.3157 6.3157 7.1518 7.1518 7.5837 7.5837 8.9981 8.9981 k = 0.5224 0.2803-0.1956 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.2176 -7.2176 -7.1531 -7.1531 0.5667 0.5667 1.0777 1.0777 2.7700 2.7700 3.0333 3.0333 3.2677 3.2677 3.6535 3.6535 5.5388 5.5388 6.2220 6.2220 6.3163 6.3163 7.1389 7.1389 7.5773 7.5773 9.0148 9.0148 k = 0.5224 0.2803-0.1956 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.2176 -7.2176 -7.1531 -7.1531 0.5667 0.5667 1.0777 1.0777 2.7700 2.7700 3.0333 3.0333 3.2677 3.2677 3.6535 3.6535 5.5388 5.5388 6.2220 6.2220 6.3163 6.3163 7.1389 7.1389 7.5773 7.5773 9.0148 9.0148 k = 0.5212 0.2797-0.1830 ( 8101 PWs) bands (ev): -64.9403 -64.9403 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2203 -7.2203 -7.1502 -7.1502 0.5743 0.5743 1.0872 1.0872 2.7547 2.7547 3.0287 3.0287 3.2524 3.2524 3.6504 3.6504 5.5433 5.5433 6.2221 6.2221 6.3162 6.3162 7.1280 7.1280 7.5677 7.5677 9.0432 9.0432 k = 0.5201 0.2791-0.1704 ( 8097 PWs) bands (ev): -64.9401 -64.9401 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.2234 -7.2234 -7.1468 -7.1468 0.5841 0.5841 1.0982 1.0982 2.7362 2.7362 3.0221 3.0221 3.2361 3.2361 3.6466 3.6466 5.5497 5.5497 6.2221 6.2221 6.3167 6.3167 7.1163 7.1163 7.5573 7.5573 9.0789 9.0789 k = 0.5190 0.2785-0.1577 ( 8097 PWs) bands (ev): -64.9401 -64.9401 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.2269 -7.2269 -7.1432 -7.1432 0.5959 0.5959 1.1105 1.1105 2.7146 2.7146 3.0134 3.0134 3.2189 3.2189 3.6421 3.6421 5.5569 5.5569 6.2220 6.2220 6.3161 6.3161 7.1037 7.1037 7.5455 7.5455 9.1216 9.1216 k = 0.5179 0.2779-0.1451 ( 8087 PWs) bands (ev): -64.9396 -64.9396 -37.0297 -37.0297 -36.0770 -36.0770 -36.0320 -36.0320 -7.2305 -7.2305 -7.1395 -7.1395 0.6097 0.6097 1.1240 1.1240 2.6902 2.6902 3.0029 3.0029 3.2017 3.2017 3.6374 3.6374 5.5643 5.5643 6.2228 6.2228 6.3168 6.3168 7.0914 7.0914 7.5347 7.5347 9.1708 9.1708 k = 0.5168 0.2773-0.1325 ( 8083 PWs) bands (ev): -64.9394 -64.9394 -37.0296 -37.0296 -36.0770 -36.0770 -36.0320 -36.0320 -7.2342 -7.2342 -7.1357 -7.1357 0.6254 0.6254 1.1385 1.1385 2.6628 2.6628 2.9909 2.9909 3.1838 3.1838 3.6327 3.6327 5.5723 5.5723 6.2229 6.2229 6.3173 6.3173 7.0787 7.0787 7.5214 7.5214 9.2261 9.2261 k = 0.5157 0.2767-0.1198 ( 8087 PWs) bands (ev): -64.9396 -64.9396 -37.0297 -37.0297 -36.0770 -36.0770 -36.0320 -36.0320 -7.2379 -7.2379 -7.1320 -7.1320 0.6427 0.6427 1.1537 1.1537 2.6326 2.6326 2.9777 2.9777 3.1653 3.1653 3.6283 3.6283 5.5802 5.5802 6.2232 6.2232 6.3164 6.3164 7.0656 7.0656 7.5064 7.5064 9.2865 9.2865 k = 0.5145 0.2761-0.1072 ( 8088 PWs) bands (ev): -64.9397 -64.9397 -37.0297 -37.0297 -36.0770 -36.0770 -36.0320 -36.0320 -7.2416 -7.2416 -7.1283 -7.1283 0.6615 0.6615 1.1696 1.1696 2.6001 2.6001 2.9640 2.9640 3.1464 3.1464 3.6245 3.6245 5.5887 5.5887 6.2231 6.2231 6.3165 6.3165 7.0524 7.0524 7.4917 7.4917 9.3516 9.3516 k = 0.5134 0.2755-0.0946 ( 8086 PWs) bands (ev): -64.9396 -64.9396 -37.0296 -37.0296 -36.0770 -36.0770 -36.0320 -36.0320 -7.2451 -7.2451 -7.1249 -7.1249 0.6817 0.6817 1.1858 1.1858 2.5659 2.5659 2.9502 2.9502 3.1270 3.1270 3.6214 3.6214 5.5964 5.5964 6.2233 6.2233 6.3168 6.3168 7.0415 7.0415 7.4767 7.4767 9.4205 9.4205 k = 0.5123 0.2749-0.0819 ( 8084 PWs) bands (ev): -64.9395 -64.9395 -37.0296 -37.0296 -36.0770 -36.0770 -36.0320 -36.0320 -7.2484 -7.2484 -7.1216 -7.1216 0.7028 0.7028 1.2021 1.2021 2.5304 2.5304 2.9366 2.9366 3.1073 3.1073 3.6192 3.6192 5.6050 5.6050 6.2235 6.2235 6.3171 6.3171 7.0292 7.0292 7.4625 7.4625 9.4924 9.4924 k = 0.5112 0.2743-0.0693 ( 8078 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2515 -7.2515 -7.1185 -7.1185 0.7246 0.7246 1.2182 1.2182 2.4945 2.4945 2.9236 2.9236 3.0875 3.0875 3.6178 3.6178 5.6127 5.6127 6.2240 6.2240 6.3174 6.3174 7.0198 7.0198 7.4491 7.4491 9.5662 9.5662 k = 0.5101 0.2737-0.0567 ( 8076 PWs) bands (ev): -64.9391 -64.9391 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2544 -7.2544 -7.1157 -7.1157 0.7468 0.7468 1.2338 1.2338 2.4587 2.4587 2.9111 2.9111 3.0678 3.0678 3.6172 3.6172 5.6203 5.6203 6.2237 6.2237 6.3173 6.3173 7.0100 7.0100 7.4362 7.4362 9.6412 9.6412 k = 0.5089 0.2731-0.0440 ( 8083 PWs) bands (ev): -64.9394 -64.9394 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2571 -7.2571 -7.1131 -7.1131 0.7688 0.7688 1.2485 1.2485 2.4239 2.4239 2.8993 2.8993 3.0485 3.0485 3.6173 3.6173 5.6262 5.6262 6.2228 6.2228 6.3172 6.3172 7.0003 7.0003 7.4230 7.4230 9.7161 9.7161 k = 0.5078 0.2725-0.0314 ( 8086 PWs) bands (ev): -64.9395 -64.9395 -37.0296 -37.0296 -36.0770 -36.0770 -36.0320 -36.0320 -7.2594 -7.2594 -7.1108 -7.1108 0.7903 0.7903 1.2622 1.2622 2.3908 2.3908 2.8883 2.8883 3.0304 3.0304 3.6178 3.6178 5.6321 5.6321 6.2221 6.2221 6.3168 6.3168 6.9919 6.9919 7.4115 7.4115 9.7900 9.7900 k = 0.5067 0.2719-0.0188 ( 8080 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2615 -7.2615 -7.1088 -7.1088 0.8107 0.8107 1.2744 1.2744 2.3603 2.3603 2.8782 2.8782 3.0141 3.0141 3.6187 3.6187 5.6375 5.6375 6.2228 6.2228 6.3170 6.3170 6.9855 6.9855 7.4022 7.4022 9.8619 9.8619 k = 0.5056 0.2713-0.0062 ( 8080 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2633 -7.2633 -7.1071 -7.1071 0.8294 0.8294 1.2851 1.2851 2.3330 2.3330 2.8691 2.8691 2.9993 2.9993 3.6198 3.6198 5.6421 5.6421 6.2229 6.2229 6.3171 6.3171 6.9802 6.9802 7.3924 7.3924 9.9302 9.9302 k = 0.5045 0.2707 0.0065 ( 8080 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0769 -36.0769 -36.0319 -36.0319 -7.2648 -7.2648 -7.1056 -7.1056 0.8459 0.8459 1.2940 1.2940 2.3096 2.3096 2.8612 2.8612 2.9871 2.9871 3.6209 3.6209 5.6457 5.6457 6.2233 6.2233 6.3171 6.3171 6.9750 6.9750 7.3849 7.3849 9.9935 9.9935 k = 0.5034 0.2701 0.0191 ( 8080 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0770 -36.0770 -36.0319 -36.0319 -7.2660 -7.2660 -7.1045 -7.1045 0.8595 0.8595 1.3009 1.3009 2.2907 2.2907 2.8547 2.8547 2.9775 2.9775 3.6218 3.6218 5.6483 5.6483 6.2235 6.2235 6.3169 6.3169 6.9708 6.9708 7.3796 7.3796 10.0493 10.0493 k = 0.5022 0.2695 0.0317 ( 8076 PWs) bands (ev): -64.9390 -64.9390 -37.0296 -37.0296 -36.0769 -36.0769 -36.0319 -36.0319 -7.2668 -7.2668 -7.1037 -7.1037 0.8697 0.8697 1.3059 1.3059 2.2768 2.2768 2.8498 2.8498 2.9706 2.9706 3.6226 3.6226 5.6512 5.6512 6.2240 6.2240 6.3179 6.3179 6.9671 6.9671 7.3758 7.3758 10.0946 10.0946 k = 0.5011 0.2689 0.0444 ( 8069 PWs) bands (ev): -64.9387 -64.9387 -37.0295 -37.0295 -36.0768 -36.0768 -36.0319 -36.0319 -7.2673 -7.2673 -7.1033 -7.1033 0.8760 0.8760 1.3089 1.3089 2.2684 2.2684 2.8467 2.8467 2.9665 2.9665 3.6231 3.6231 5.6530 5.6530 6.2248 6.2248 6.3188 6.3188 6.9659 6.9659 7.3736 7.3736 10.1251 10.1251 k = 0.5000 0.2683 0.0570 ( 8070 PWs) bands (ev): -64.9388 -64.9388 -37.0295 -37.0295 -36.0769 -36.0769 -36.0319 -36.0319 -7.2675 -7.2675 -7.1031 -7.1031 0.8782 0.8782 1.3099 1.3099 2.2656 2.2656 2.8457 2.8457 2.9651 2.9651 3.6233 3.6233 5.6531 5.6531 6.2247 6.2247 6.3189 6.3189 6.9653 6.9653 7.3725 7.3725 10.1360 10.1360 k = 0.5000 0.2683 0.0570 ( 8070 PWs) bands (ev): -64.9388 -64.9388 -37.0295 -37.0295 -36.0769 -36.0769 -36.0319 -36.0319 -7.2675 -7.2675 -7.1031 -7.1031 0.8782 0.8782 1.3099 1.3099 2.2656 2.2656 2.8457 2.8457 2.9651 2.9651 3.6233 3.6233 5.6531 5.6531 6.2247 6.2247 6.3189 6.3189 6.9653 6.9653 7.3725 7.3725 10.1360 10.1360 k = 0.5062 0.2568 0.0570 ( 8070 PWs) bands (ev): -64.9388 -64.9388 -37.0295 -37.0295 -36.0769 -36.0769 -36.0319 -36.0319 -7.2671 -7.2671 -7.1028 -7.1028 0.8792 0.8792 1.3103 1.3103 2.2657 2.2657 2.8447 2.8447 2.9639 2.9639 3.6175 3.6175 5.6565 5.6565 6.2248 6.2248 6.3187 6.3187 6.9651 6.9651 7.3693 7.3693 10.1406 10.1406 k = 0.5124 0.2452 0.0570 ( 8082 PWs) bands (ev): -64.9393 -64.9393 -37.0296 -37.0296 -36.0769 -36.0769 -36.0320 -36.0320 -7.2658 -7.2658 -7.1021 -7.1021 0.8822 0.8822 1.3116 1.3116 2.2660 2.2660 2.8418 2.8418 2.9599 2.9599 3.6002 3.6002 5.6658 5.6658 6.2233 6.2233 6.3176 6.3176 6.9638 6.9638 7.3579 7.3579 10.1545 10.1545 k = 0.5186 0.2336 0.0570 ( 8090 PWs) bands (ev): -64.9397 -64.9397 -37.0297 -37.0297 -36.0770 -36.0770 -36.0321 -36.0321 -7.2638 -7.2638 -7.1009 -7.1009 0.8873 0.8873 1.3138 1.3138 2.2665 2.2665 2.8368 2.8368 2.9535 2.9535 3.5725 3.5725 5.6825 5.6825 6.2235 6.2235 6.3159 6.3159 6.9618 6.9618 7.3399 7.3399 10.1776 10.1776 k = 0.5248 0.2221 0.0570 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0297 -37.0297 -36.0770 -36.0770 -36.0322 -36.0322 -7.2609 -7.2609 -7.0991 -7.0991 0.8944 0.8944 1.3167 1.3167 2.2670 2.2670 2.8296 2.8296 2.9449 2.9449 3.5356 3.5356 5.7047 5.7047 6.2248 6.2248 6.3133 6.3133 6.9606 6.9606 7.3167 7.3167 10.2092 10.2092 k = 0.5310 0.2105 0.0570 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0297 -37.0297 -36.0770 -36.0770 -36.0322 -36.0322 -7.2572 -7.2572 -7.0970 -7.0970 0.9034 0.9034 1.3205 1.3205 2.2674 2.2674 2.8199 2.8199 2.9342 2.9342 3.4913 3.4913 5.7315 5.7315 6.2267 6.2267 6.3105 6.3105 6.9592 6.9592 7.2898 7.2898 10.2489 10.2489 k = 0.5373 0.1989 0.0570 ( 8092 PWs) bands (ev): -64.9398 -64.9398 -37.0297 -37.0297 -36.0770 -36.0770 -36.0322 -36.0322 -7.2528 -7.2528 -7.0943 -7.0943 0.9143 0.9143 1.3250 1.3250 2.2673 2.2673 2.8072 2.8072 2.9218 2.9218 3.4414 3.4414 5.7616 5.7616 6.2287 6.2287 6.3084 6.3084 6.9573 6.9573 7.2600 7.2600 10.2955 10.2955 k = 0.5435 0.1873 0.0570 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0298 -37.0298 -36.0770 -36.0770 -36.0323 -36.0323 -7.2476 -7.2476 -7.0912 -7.0912 0.9271 0.9271 1.3300 1.3300 2.2663 2.2663 2.7910 2.7910 2.9077 2.9077 3.3881 3.3881 5.7938 5.7938 6.2304 6.2304 6.3052 6.3052 6.9555 6.9555 7.2272 7.2272 10.3478 10.3478 k = 0.5497 0.1758 0.0570 ( 8096 PWs) bands (ev): -64.9400 -64.9400 -37.0298 -37.0298 -36.0770 -36.0770 -36.0323 -36.0323 -7.2417 -7.2417 -7.0877 -7.0877 0.9418 0.9418 1.3357 1.3357 2.2639 2.2639 2.7708 2.7708 2.8930 2.8930 3.3337 3.3337 5.8270 5.8270 6.2321 6.2321 6.3011 6.3011 6.9542 6.9542 7.1936 7.1936 10.4040 10.4040 k = 0.5559 0.1642 0.0570 ( 8086 PWs) bands (ev): -64.9395 -64.9395 -37.0297 -37.0297 -36.0770 -36.0770 -36.0323 -36.0323 -7.2352 -7.2352 -7.0839 -7.0839 0.9581 0.9581 1.3417 1.3417 2.2595 2.2595 2.7459 2.7459 2.8784 2.8784 3.2802 3.2802 5.8610 5.8610 6.2353 6.2353 6.2978 6.2978 6.9530 6.9530 7.1623 7.1623 10.4620 10.4620 k = 0.5621 0.1526 0.0570 ( 8084 PWs) bands (ev): -64.9394 -64.9394 -37.0297 -37.0297 -36.0769 -36.0769 -36.0324 -36.0324 -7.2281 -7.2281 -7.0796 -7.0796 0.9760 0.9760 1.3480 1.3480 2.2520 2.2520 2.7162 2.7162 2.8641 2.8641 3.2295 3.2295 5.8941 5.8941 6.2366 6.2366 6.2949 6.2949 6.9504 6.9504 7.1310 7.1310 10.5193 10.5193 k = 0.5683 0.1411 0.0570 ( 8084 PWs) bands (ev): -64.9394 -64.9394 -37.0298 -37.0298 -36.0769 -36.0769 -36.0324 -36.0324 -7.2204 -7.2204 -7.0750 -7.0750 0.9955 0.9955 1.3544 1.3544 2.2404 2.2404 2.6823 2.6823 2.8507 2.8507 3.1832 3.1832 5.9258 5.9258 6.2381 6.2381 6.2919 6.2919 6.9471 6.9471 7.1015 7.1015 10.5730 10.5730 k = 0.5745 0.1295 0.0570 ( 8088 PWs) bands (ev): -64.9396 -64.9396 -37.0298 -37.0298 -36.0769 -36.0769 -36.0325 -36.0325 -7.2122 -7.2122 -7.0702 -7.0702 1.0163 1.0163 1.3607 1.3607 2.2236 2.2236 2.6454 2.6454 2.8388 2.8388 3.1422 3.1422 5.9547 5.9547 6.2386 6.2386 6.2896 6.2896 6.9431 6.9431 7.0746 7.0746 10.6198 10.6198 k = 0.5807 0.1179 0.0570 ( 8090 PWs) bands (ev): -64.9397 -64.9397 -37.0299 -37.0299 -36.0769 -36.0769 -36.0327 -36.0327 -7.2036 -7.2036 -7.0651 -7.0651 1.0383 1.0383 1.3665 1.3665 2.2007 2.2007 2.6071 2.6071 2.8286 2.8286 3.1069 3.1069 5.9817 5.9817 6.2380 6.2380 6.2883 6.2883 6.9388 6.9388 7.0515 7.0515 10.6565 10.6565 k = 0.5869 0.1064 0.0570 ( 8088 PWs) bands (ev): -64.9396 -64.9396 -37.0299 -37.0299 -36.0769 -36.0769 -36.0327 -36.0327 -7.1946 -7.1946 -7.0597 -7.0597 1.0612 1.0612 1.3715 1.3715 2.1709 2.1709 2.5694 2.5694 2.8208 2.8208 3.0771 3.0771 6.0069 6.0069 6.2369 6.2369 6.2883 6.2883 6.9342 6.9342 7.0321 7.0321 10.6804 10.6804 k = 0.5931 0.0948 0.0570 ( 8090 PWs) bands (ev): -64.9397 -64.9397 -37.0299 -37.0299 -36.0769 -36.0769 -36.0328 -36.0328 -7.1853 -7.1853 -7.0542 -7.0542 1.0847 1.0847 1.3754 1.3754 2.1346 2.1346 2.5337 2.5337 2.8152 2.8152 3.0524 3.0524 6.0292 6.0292 6.2352 6.2352 6.2892 6.2892 6.9289 6.9289 7.0153 7.0153 10.6897 10.6897 k = 0.5994 0.0832 0.0570 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0300 -37.0300 -36.0769 -36.0769 -36.0329 -36.0329 -7.1758 -7.1758 -7.0485 -7.0485 1.1084 1.1084 1.3776 1.3776 2.0927 2.0927 2.5007 2.5007 2.8125 2.8125 3.0324 3.0324 6.0470 6.0470 6.2331 6.2331 6.2910 6.2910 6.9239 6.9239 7.0021 7.0021 10.6840 10.6840 k = 0.6056 0.0716 0.0570 ( 8096 PWs) bands (ev): -64.9399 -64.9399 -37.0300 -37.0300 -36.0769 -36.0769 -36.0331 -36.0331 -7.1662 -7.1662 -7.0428 -7.0428 1.1320 1.1320 1.3774 1.3774 2.0476 2.0476 2.4706 2.4706 2.8128 2.8128 3.0164 3.0164 6.0608 6.0608 6.2313 6.2313 6.2930 6.2930 6.9198 6.9198 6.9933 6.9933 10.6641 10.6641 k = 0.6118 0.0601 0.0570 ( 8086 PWs) bands (ev): -64.9395 -64.9395 -37.0300 -37.0300 -36.0768 -36.0768 -36.0331 -36.0331 -7.1565 -7.1565 -7.0370 -7.0370 1.1546 1.1546 1.3744 1.3744 2.0019 2.0019 2.4432 2.4432 2.8160 2.8160 3.0042 3.0042 6.0712 6.0712 6.2320 6.2320 6.2976 6.2976 6.9165 6.9165 6.9884 6.9884 10.6319 10.6319 k = 0.6180 0.0485 0.0570 ( 8084 PWs) bands (ev): -64.9394 -64.9394 -37.0300 -37.0300 -36.0768 -36.0768 -36.0331 -36.0331 -7.1469 -7.1469 -7.0313 -7.0313 1.1754 1.1754 1.3680 1.3680 1.9585 1.9585 2.4182 2.4182 2.8218 2.8218 2.9951 2.9951 6.0762 6.0762 6.2337 6.2337 6.3012 6.3012 6.9129 6.9129 6.9864 6.9864 10.5896 10.5896 k = 0.6242 0.0369 0.0570 ( 8080 PWs) bands (ev): -64.9392 -64.9392 -37.0300 -37.0300 -36.0768 -36.0768 -36.0331 -36.0331 -7.1374 -7.1374 -7.0256 -7.0256 1.1927 1.1927 1.3581 1.3581 1.9200 1.9200 2.3955 2.3955 2.8298 2.8298 2.9890 2.9890 6.0772 6.0772 6.2364 6.2364 6.3054 6.3054 6.9091 6.9091 6.9883 6.9883 10.5398 10.5398 k = 0.6304 0.0254 0.0570 ( 8078 PWs) bands (ev): -64.9391 -64.9391 -37.0300 -37.0300 -36.0768 -36.0768 -36.0332 -36.0332 -7.1281 -7.1281 -7.0201 -7.0201 1.2041 1.2041 1.3460 1.3460 1.8888 1.8888 2.3754 2.3754 2.8398 2.8398 2.9859 2.9859 6.0745 6.0745 6.2398 6.2398 6.3086 6.3086 6.9046 6.9046 6.9950 6.9950 10.4845 10.4845 k = 0.6366 0.0138 0.0570 ( 8074 PWs) bands (ev): -64.9389 -64.9389 -37.0300 -37.0300 -36.0767 -36.0767 -36.0333 -36.0333 -7.1192 -7.1192 -7.0147 -7.0147 1.2057 1.2057 1.3348 1.3348 1.8664 1.8664 2.3579 2.3579 2.8511 2.8511 2.9855 2.9855 6.0687 6.0687 6.2436 6.2436 6.3120 6.3120 6.8997 6.8997 7.0059 7.0059 10.4259 10.4259 k = 0.6428 0.0022 0.0570 ( 8072 PWs) bands (ev): -64.9387 -64.9387 -37.0300 -37.0300 -36.0767 -36.0767 -36.0333 -36.0333 -7.1107 -7.1107 -7.0095 -7.0095 1.1938 1.1938 1.3280 1.3280 1.8536 1.8536 2.3434 2.3434 2.8635 2.8635 2.9879 2.9879 6.0606 6.0606 6.2470 6.2470 6.3144 6.3144 6.8946 6.8946 7.0200 7.0200 10.3656 10.3656 k = 0.6490-0.0094 0.0570 ( 8074 PWs) bands (ev): -64.9388 -64.9388 -37.0300 -37.0300 -36.0767 -36.0767 -36.0334 -36.0334 -7.1027 -7.1027 -7.0046 -7.0046 1.1687 1.1687 1.3262 1.3262 1.8500 1.8500 2.3321 2.3321 2.8765 2.8765 2.9928 2.9928 6.0506 6.0506 6.2497 6.2497 6.3160 6.3160 6.8888 6.8888 7.0369 7.0369 10.3049 10.3049 k = 0.6552-0.0209 0.0570 ( 8070 PWs) bands (ev): -64.9386 -64.9386 -37.0300 -37.0300 -36.0767 -36.0767 -36.0335 -36.0335 -7.0953 -7.0953 -7.0001 -7.0001 1.1343 1.1343 1.3266 1.3266 1.8551 1.8551 2.3243 2.3243 2.8899 2.8899 3.0003 3.0003 6.0392 6.0392 6.2524 6.2524 6.3178 6.3178 6.8829 6.8829 7.0577 7.0577 10.2449 10.2449 k = 0.6615-0.0325 0.0570 ( 8048 PWs) bands (ev): -64.9376 -64.9376 -37.0299 -37.0299 -36.0765 -36.0765 -36.0333 -36.0333 -7.0887 -7.0887 -6.9959 -6.9959 1.0948 1.0948 1.3266 1.3266 1.8677 1.8677 2.3200 2.3200 2.9038 2.9038 3.0104 3.0104 6.0280 6.0280 6.2556 6.2556 6.3200 6.3200 6.8791 6.8791 7.0831 7.0831 10.1867 10.1867 k = 0.6677-0.0441 0.0570 ( 8044 PWs) bands (ev): -64.9374 -64.9374 -37.0299 -37.0299 -36.0765 -36.0765 -36.0334 -36.0334 -7.0829 -7.0829 -6.9922 -6.9922 1.0530 1.0530 1.3249 1.3249 1.8867 1.8867 2.3192 2.3192 2.9176 2.9176 3.0222 3.0222 6.0158 6.0158 6.2565 6.2565 6.3202 6.3202 6.8731 6.8731 7.1077 7.1077 10.1307 10.1307 k = 0.6739-0.0556 0.0570 ( 8048 PWs) bands (ev): -64.9375 -64.9375 -37.0299 -37.0299 -36.0765 -36.0765 -36.0335 -36.0335 -7.0780 -7.0780 -6.9890 -6.9890 1.0110 1.0110 1.3211 1.3211 1.9110 1.9110 2.3217 2.3217 2.9317 2.9317 3.0355 3.0355 6.0030 6.0030 6.2555 6.2555 6.3185 6.3185 6.8663 6.8663 7.1336 7.1336 10.0774 10.0774 k = 0.6801-0.0672 0.0570 ( 8056 PWs) bands (ev): -64.9379 -64.9379 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.0741 -7.0741 -6.9863 -6.9863 0.9701 0.9701 1.3154 1.3154 1.9394 1.9394 2.3276 2.3276 2.9462 2.9462 3.0500 3.0500 5.9895 5.9895 6.2539 6.2539 6.3163 6.3163 6.8594 6.8594 7.1591 7.1591 10.0274 10.0274 k = 0.6863-0.0788 0.0570 ( 8058 PWs) bands (ev): -64.9380 -64.9380 -37.0300 -37.0300 -36.0765 -36.0765 -36.0337 -36.0337 -7.0713 -7.0713 -6.9842 -6.9842 0.9315 0.9315 1.3081 1.3081 1.9712 1.9712 2.3364 2.3364 2.9614 2.9614 3.0653 3.0653 5.9768 5.9768 6.2521 6.2521 6.3138 6.3138 6.8531 6.8531 7.1854 7.1854 9.9811 9.9811 k = 0.6925-0.0903 0.0570 ( 8052 PWs) bands (ev): -64.9376 -64.9376 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.0696 -7.0696 -6.9826 -6.9826 0.8958 0.8958 1.2998 1.2998 2.0054 2.0054 2.3481 2.3481 2.9773 2.9773 3.0811 3.0811 5.9645 5.9645 6.2510 6.2510 6.3122 6.3122 6.8468 6.8468 7.2124 7.2124 9.9387 9.9387 k = 0.6987-0.1019 0.0570 ( 8056 PWs) bands (ev): -64.9378 -64.9378 -37.0300 -37.0300 -36.0765 -36.0765 -36.0337 -36.0337 -7.0692 -7.0692 -6.9818 -6.9818 0.8636 0.8636 1.2909 1.2909 2.0413 2.0413 2.3623 2.3623 2.9941 2.9941 3.0971 3.0971 5.9529 5.9529 6.2466 6.2466 6.3080 6.3080 6.8407 6.8407 7.2387 7.2387 9.9003 9.9003 k = 0.3013-0.5614 0.3097 ( 8056 PWs) bands (ev): -64.9378 -64.9378 -37.0300 -37.0300 -36.0765 -36.0765 -36.0337 -36.0337 -7.0692 -7.0692 -6.9818 -6.9818 0.8636 0.8636 1.2909 1.2909 2.0413 2.0413 2.3623 2.3623 2.9941 2.9941 3.0971 3.0971 5.9529 5.9529 6.2466 6.2466 6.3080 6.3080 6.8407 6.8407 7.2387 7.2387 9.9003 9.9003 k = 0.2950-0.5497 0.3097 ( 8058 PWs) bands (ev): -64.9379 -64.9379 -37.0301 -37.0301 -36.0765 -36.0765 -36.0338 -36.0338 -7.0701 -7.0701 -6.9816 -6.9816 0.8351 0.8351 1.2820 1.2820 2.0788 2.0788 2.3789 2.3789 3.0117 3.0117 3.1133 3.1133 5.9415 5.9415 6.2431 6.2431 6.3044 6.3044 6.8346 6.8346 7.2629 7.2629 9.8659 9.8659 k = 0.2887-0.5380 0.3097 ( 8062 PWs) bands (ev): -64.9380 -64.9380 -37.0301 -37.0301 -36.0765 -36.0765 -36.0338 -36.0338 -7.0723 -7.0723 -6.9822 -6.9822 0.8110 0.8110 1.2735 1.2735 2.1168 2.1168 2.3975 2.3975 3.0299 3.0299 3.1296 3.1296 5.9304 5.9304 6.2389 6.2389 6.3002 6.3002 6.8286 6.8286 7.2857 7.2857 9.8359 9.8359 k = 0.2825-0.5263 0.3097 ( 8068 PWs) bands (ev): -64.9383 -64.9383 -37.0301 -37.0301 -36.0765 -36.0765 -36.0339 -36.0339 -7.0760 -7.0760 -6.9836 -6.9836 0.7915 0.7915 1.2660 1.2660 2.1548 2.1548 2.4180 2.4180 3.0486 3.0486 3.1461 3.1461 5.9201 5.9201 6.2336 6.2336 6.2952 6.2952 6.8227 6.8227 7.3069 7.3069 9.8104 9.8104 k = 0.2762-0.5146 0.3097 ( 8068 PWs) bands (ev): -64.9383 -64.9383 -37.0301 -37.0301 -36.0765 -36.0765 -36.0339 -36.0339 -7.0811 -7.0811 -6.9857 -6.9857 0.7769 0.7769 1.2597 1.2597 2.1924 2.1924 2.4400 2.4400 3.0672 3.0672 3.1629 3.1629 5.9109 5.9109 6.2299 6.2299 6.2914 6.2914 6.8169 6.8169 7.3248 7.3248 9.7896 9.7896 k = 0.2699-0.5029 0.3097 ( 8066 PWs) bands (ev): -64.9382 -64.9382 -37.0301 -37.0301 -36.0765 -36.0765 -36.0339 -36.0339 -7.0877 -7.0877 -6.9886 -6.9886 0.7673 0.7673 1.2550 1.2550 2.2291 2.2291 2.4636 2.4636 3.0856 3.0856 3.1806 3.1806 5.9029 5.9029 6.2261 6.2261 6.2870 6.2870 6.8116 6.8116 7.3406 7.3406 9.7735 9.7735 k = 0.2636-0.4912 0.3097 ( 8062 PWs) bands (ev): -64.9379 -64.9379 -37.0301 -37.0301 -36.0765 -36.0765 -36.0338 -36.0338 -7.0957 -7.0957 -6.9922 -6.9922 0.7628 0.7628 1.2521 1.2521 2.2645 2.2645 2.4884 2.4884 3.1030 3.1030 3.1996 3.1996 5.8954 5.8954 6.2229 6.2229 6.2830 6.2830 6.8070 6.8070 7.3531 7.3531 9.7621 9.7621 k = 0.2574-0.4795 0.3097 ( 8064 PWs) bands (ev): -64.9380 -64.9380 -37.0301 -37.0301 -36.0764 -36.0764 -36.0339 -36.0339 -7.1051 -7.1051 -6.9967 -6.9967 0.7635 0.7635 1.2513 1.2513 2.2982 2.2982 2.5144 2.5144 3.1191 3.1191 3.2200 3.2200 5.8890 5.8890 6.2194 6.2194 6.2783 6.2783 6.8024 6.8024 7.3611 7.3611 9.7551 9.7551 k = 0.2511-0.4678 0.3097 ( 8066 PWs) bands (ev): -64.9381 -64.9381 -37.0301 -37.0301 -36.0765 -36.0765 -36.0338 -36.0338 -7.1160 -7.1160 -7.0020 -7.0020 0.7692 0.7692 1.2526 1.2526 2.3297 2.3297 2.5413 2.5413 3.1336 3.1336 3.2424 3.2424 5.8826 5.8826 6.2176 6.2176 6.2746 6.2746 6.7976 6.7976 7.3646 7.3646 9.7530 9.7530 k = 0.2448-0.4561 0.3097 ( 8072 PWs) bands (ev): -64.9383 -64.9383 -37.0301 -37.0301 -36.0765 -36.0765 -36.0339 -36.0339 -7.1283 -7.1283 -7.0081 -7.0081 0.7800 0.7800 1.2563 1.2563 2.3588 2.3588 2.5695 2.5695 3.1467 3.1467 3.2665 3.2665 5.8775 5.8775 6.2139 6.2139 6.2698 6.2698 6.7931 6.7931 7.3658 7.3658 9.7553 9.7553 k = 0.2385-0.4444 0.3097 ( 8066 PWs) bands (ev): -64.9380 -64.9380 -37.0300 -37.0300 -36.0764 -36.0764 -36.0338 -36.0338 -7.1420 -7.1420 -7.0149 -7.0149 0.7959 0.7959 1.2623 1.2623 2.3851 2.3851 2.5987 2.5987 3.1587 3.1587 3.2923 3.2923 5.8739 5.8739 6.2124 6.2124 6.2681 6.2681 6.7889 6.7889 7.3629 7.3629 9.7626 9.7626 k = 0.2322-0.4327 0.3097 ( 8064 PWs) bands (ev): -64.9379 -64.9379 -37.0300 -37.0300 -36.0764 -36.0764 -36.0337 -36.0337 -7.1570 -7.1570 -7.0225 -7.0225 0.8167 0.8167 1.2708 1.2708 2.4084 2.4084 2.6289 2.6289 3.1698 3.1698 3.3194 3.3194 5.8703 5.8703 6.2094 6.2094 6.2673 6.2673 6.7850 6.7850 7.3575 7.3575 9.7744 9.7744 k = 0.2260-0.4210 0.3097 ( 8070 PWs) bands (ev): -64.9382 -64.9382 -37.0300 -37.0300 -36.0764 -36.0764 -36.0337 -36.0337 -7.1732 -7.1732 -7.0308 -7.0308 0.8422 0.8422 1.2817 1.2817 2.4285 2.4285 2.6598 2.6598 3.1803 3.1803 3.3473 3.3473 5.8668 5.8668 6.2051 6.2051 6.2688 6.2688 6.7806 6.7806 7.3464 7.3464 9.7909 9.7909 k = 0.2197-0.4094 0.3097 ( 8078 PWs) bands (ev): -64.9385 -64.9385 -37.0300 -37.0300 -36.0765 -36.0765 -36.0337 -36.0337 -7.1906 -7.1906 -7.0398 -7.0398 0.8723 0.8723 1.2950 1.2950 2.4455 2.4455 2.6917 2.6917 3.1908 3.1908 3.3759 3.3759 5.8646 5.8646 6.1988 6.1988 6.2714 6.2714 6.7766 6.7766 7.3325 7.3325 9.8120 9.8120 k = 0.2134-0.3977 0.3097 ( 8078 PWs) bands (ev): -64.9385 -64.9385 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.2091 -7.2091 -7.0494 -7.0494 0.9067 0.9067 1.3107 1.3107 2.4594 2.4594 2.7243 2.7243 3.2012 3.2012 3.4050 3.4050 5.8635 5.8635 6.1936 6.1936 6.2762 6.2762 6.7724 6.7724 7.3167 7.3167 9.8378 9.8378 k = 0.2071-0.3860 0.3097 ( 8082 PWs) bands (ev): -64.9387 -64.9387 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.2285 -7.2285 -7.0597 -7.0597 0.9451 0.9451 1.3288 1.3288 2.4704 2.4704 2.7575 2.7575 3.2121 3.2121 3.4341 3.4341 5.8636 5.8636 6.1848 6.1848 6.2833 6.2833 6.7690 6.7690 7.2984 7.2984 9.8682 9.8682 k = 0.2009-0.3743 0.3097 ( 8082 PWs) bands (ev): -64.9387 -64.9387 -37.0299 -37.0299 -36.0765 -36.0765 -36.0335 -36.0335 -7.2489 -7.2489 -7.0705 -7.0705 0.9871 0.9871 1.3490 1.3490 2.4791 2.4791 2.7910 2.7910 3.2235 3.2235 3.4631 3.4631 5.8634 5.8634 6.1766 6.1766 6.2925 6.2925 6.7672 6.7672 7.2777 7.2777 9.9031 9.9031 k = 0.1946-0.3626 0.3097 ( 8086 PWs) bands (ev): -64.9389 -64.9389 -37.0299 -37.0299 -36.0765 -36.0765 -36.0334 -36.0334 -7.2700 -7.2700 -7.0818 -7.0818 1.0323 1.0323 1.3714 1.3714 2.4859 2.4859 2.8246 2.8246 3.2354 3.2354 3.4919 3.4919 5.8635 5.8635 6.1677 6.1677 6.3011 6.3011 6.7657 6.7657 7.2560 7.2560 9.9425 9.9425 k = 0.1883-0.3509 0.3097 ( 8090 PWs) bands (ev): -64.9391 -64.9391 -37.0299 -37.0299 -36.0765 -36.0765 -36.0333 -36.0333 -7.2919 -7.2919 -7.0935 -7.0935 1.0802 1.0802 1.3959 1.3959 2.4915 2.4915 2.8577 2.8577 3.2481 3.2481 3.5203 3.5203 5.8652 5.8652 6.1587 6.1587 6.3108 6.3108 6.7646 6.7646 7.2318 7.2318 9.9863 9.9863 k = 0.1820-0.3392 0.3097 ( 8094 PWs) bands (ev): -64.9393 -64.9393 -37.0299 -37.0299 -36.0765 -36.0765 -36.0333 -36.0333 -7.3143 -7.3143 -7.1057 -7.1057 1.1301 1.1301 1.4225 1.4225 2.4966 2.4966 2.8902 2.8902 3.2617 3.2617 3.5482 3.5482 5.8675 5.8675 6.1486 6.1486 6.3209 6.3209 6.7645 6.7645 7.2073 7.2073 10.0343 10.0343 k = 0.1758-0.3275 0.3097 ( 8094 PWs) bands (ev): -64.9393 -64.9393 -37.0299 -37.0299 -36.0766 -36.0766 -36.0332 -36.0332 -7.3372 -7.3372 -7.1182 -7.1182 1.1812 1.1812 1.4513 1.4513 2.5020 2.5020 2.9215 2.9215 3.2764 3.2764 3.5756 3.5756 5.8701 5.8701 6.1391 6.1391 6.3308 6.3308 6.7656 6.7656 7.1838 7.1838 10.0863 10.0863 k = 0.1695-0.3158 0.3097 ( 8090 PWs) bands (ev): -64.9391 -64.9391 -37.0298 -37.0298 -36.0765 -36.0765 -36.0330 -36.0330 -7.3604 -7.3604 -7.1310 -7.1310 1.2324 1.2324 1.4822 1.4822 2.5086 2.5086 2.9511 2.9511 3.2923 3.2923 3.6026 3.6026 5.8735 5.8735 6.1297 6.1297 6.3408 6.3408 6.7679 6.7679 7.1609 7.1609 10.1421 10.1421 k = 0.1632-0.3041 0.3097 ( 8094 PWs) bands (ev): -64.9393 -64.9393 -37.0298 -37.0298 -36.0765 -36.0765 -36.0329 -36.0329 -7.3839 -7.3839 -7.1439 -7.1439 1.2826 1.2826 1.5155 1.5155 2.5172 2.5172 2.9784 2.9784 3.3097 3.3097 3.6291 3.6291 5.8774 5.8774 6.1207 6.1207 6.3475 6.3475 6.7713 6.7713 7.1374 7.1374 10.2013 10.2013 k = 0.1569-0.2924 0.3097 ( 8090 PWs) bands (ev): -64.9391 -64.9391 -37.0297 -37.0297 -36.0765 -36.0765 -36.0328 -36.0328 -7.4075 -7.4075 -7.1571 -7.1571 1.3303 1.3303 1.5518 1.5518 2.5290 2.5290 3.0030 3.0030 3.3288 3.3288 3.6552 3.6552 5.8814 5.8814 6.1116 6.1116 6.3545 6.3545 6.7766 6.7766 7.1166 7.1166 10.2637 10.2637 k = 0.1506-0.2807 0.3097 ( 8094 PWs) bands (ev): -64.9393 -64.9393 -37.0297 -37.0297 -36.0765 -36.0765 -36.0327 -36.0327 -7.4311 -7.4311 -7.1703 -7.1703 1.3741 1.3741 1.5914 1.5914 2.5446 2.5446 3.0244 3.0244 3.3494 3.3494 3.6813 3.6813 5.8857 5.8857 6.1026 6.1026 6.3575 6.3575 6.7832 6.7832 7.0965 7.0965 10.3286 10.3286 k = 0.1444-0.2690 0.3097 ( 8086 PWs) bands (ev): -64.9390 -64.9390 -37.0296 -37.0296 -36.0764 -36.0764 -36.0325 -36.0325 -7.4547 -7.4547 -7.1836 -7.1836 1.4125 1.4125 1.6346 1.6346 2.5652 2.5652 3.0425 3.0425 3.3713 3.3713 3.7076 3.7076 5.8896 5.8896 6.0947 6.0947 6.3615 6.3615 6.7908 6.7908 7.0805 7.0805 10.3955 10.3955 k = 0.1381-0.2573 0.3097 ( 8096 PWs) bands (ev): -64.9395 -64.9395 -37.0296 -37.0296 -36.0765 -36.0765 -36.0324 -36.0324 -7.4780 -7.4780 -7.1968 -7.1968 1.4451 1.4451 1.6809 1.6809 2.5910 2.5910 3.0574 3.0574 3.3939 3.3939 3.7342 3.7342 5.8932 5.8932 6.0853 6.0853 6.3609 6.3609 6.7990 6.7990 7.0648 7.0648 10.4631 10.4631 k = 0.1318-0.2456 0.3097 ( 8096 PWs) bands (ev): -64.9395 -64.9395 -37.0295 -37.0295 -36.0765 -36.0765 -36.0323 -36.0323 -7.5010 -7.5010 -7.2099 -7.2099 1.4715 1.4715 1.7300 1.7300 2.6226 2.6226 3.0694 3.0694 3.4168 3.4168 3.7619 3.7619 5.8970 5.8970 6.0762 6.0762 6.3587 6.3587 6.8086 6.8086 7.0552 7.0552 10.5305 10.5305 k = 0.1255-0.2339 0.3097 ( 8100 PWs) bands (ev): -64.9397 -64.9397 -37.0295 -37.0295 -36.0765 -36.0765 -36.0322 -36.0322 -7.5237 -7.5237 -7.2228 -7.2228 1.4921 1.4921 1.7808 1.7808 2.6598 2.6598 3.0789 3.0789 3.4393 3.4393 3.7908 3.7908 5.8999 5.8999 6.0672 6.0672 6.3535 6.3535 6.8189 6.8189 7.0491 7.0491 10.5949 10.5949 k = 0.1193-0.2222 0.3097 ( 8100 PWs) bands (ev): -64.9397 -64.9397 -37.0295 -37.0295 -36.0765 -36.0765 -36.0321 -36.0321 -7.5458 -7.5458 -7.2356 -7.2356 1.5074 1.5074 1.8325 1.8325 2.7022 2.7022 3.0867 3.0867 3.4609 3.4609 3.8216 3.8216 5.9028 5.9028 6.0576 6.0576 6.3458 6.3458 6.8303 6.8303 7.0487 7.0487 10.6457 10.6457 k = 0.1130-0.2105 0.3097 ( 8098 PWs) bands (ev): -64.9396 -64.9396 -37.0294 -37.0294 -36.0765 -36.0765 -36.0319 -36.0319 -7.5674 -7.5674 -7.2480 -7.2480 1.5181 1.5181 1.8845 1.8845 2.7486 2.7486 3.0936 3.0936 3.4811 3.4811 3.8544 3.8544 5.9054 5.9054 6.0476 6.0476 6.3356 6.3356 6.8422 6.8422 7.0539 7.0539 10.6347 10.6347 k = 0.1067-0.1988 0.3097 ( 8108 PWs) bands (ev): -64.9401 -64.9401 -37.0294 -37.0294 -36.0766 -36.0766 -36.0319 -36.0319 -7.5882 -7.5882 -7.2602 -7.2602 1.5247 1.5247 1.9363 1.9363 2.7969 2.7969 3.1007 3.1007 3.4997 3.4997 3.8892 3.8892 5.9066 5.9066 6.0359 6.0359 6.3220 6.3220 6.8535 6.8535 7.0636 7.0636 10.5892 10.5892 k = 0.1004-0.1871 0.3097 ( 8114 PWs) bands (ev): -64.9404 -64.9404 -37.0294 -37.0294 -36.0766 -36.0766 -36.0318 -36.0318 -7.6084 -7.6084 -7.2719 -7.2719 1.5279 1.5279 1.9878 1.9878 2.8444 2.8444 3.1098 3.1098 3.5173 3.5173 3.9262 3.9262 5.9066 5.9066 6.0248 6.0248 6.3056 6.3056 6.8652 6.8652 7.0799 7.0799 10.5364 10.5364 k = 0.0942-0.1754 0.3097 ( 8106 PWs) bands (ev): -64.9401 -64.9401 -37.0293 -37.0293 -36.0766 -36.0766 -36.0316 -36.0316 -7.6277 -7.6277 -7.2832 -7.2832 1.5283 1.5283 2.0387 2.0387 2.8873 2.8873 3.1234 3.1234 3.5346 3.5346 3.9652 3.9652 5.9073 5.9073 6.0145 6.0145 6.2877 6.2877 6.8779 6.8779 7.1023 7.1023 10.4800 10.4800 k = 0.0879-0.1637 0.3097 ( 8104 PWs) bands (ev): -64.9400 -64.9400 -37.0292 -37.0292 -36.0765 -36.0765 -36.0315 -36.0315 -7.6461 -7.6461 -7.2940 -7.2940 1.5263 1.5263 2.0889 2.0889 2.9213 2.9213 3.1434 3.1434 3.5527 3.5527 4.0060 4.0060 5.9070 5.9070 6.0028 6.0028 6.2673 6.2673 6.8900 6.8900 7.1296 7.1296 10.4215 10.4215 k = 0.0816-0.1520 0.3097 ( 8112 PWs) bands (ev): -64.9404 -64.9404 -37.0293 -37.0293 -36.0766 -36.0766 -36.0315 -36.0315 -7.6635 -7.6635 -7.3042 -7.3042 1.5225 1.5225 2.1383 2.1383 2.9436 2.9436 3.1697 3.1697 3.5732 3.5732 4.0483 4.0483 5.9055 5.9055 5.9906 5.9906 6.2434 6.2434 6.9011 6.9011 7.1605 7.1605 10.3617 10.3617 k = 0.0753-0.1403 0.3097 ( 8102 PWs) bands (ev): -64.9399 -64.9399 -37.0291 -37.0291 -36.0765 -36.0765 -36.0313 -36.0313 -7.6798 -7.6798 -7.3139 -7.3139 1.5175 1.5175 2.1869 2.1869 2.9554 2.9554 3.1996 3.1996 3.5980 3.5980 4.0921 4.0921 5.9048 5.9048 5.9796 5.9796 6.2194 6.2194 6.9132 6.9132 7.1968 7.1968 10.3012 10.3012 k = 0.0690-0.1287 0.3097 ( 8108 PWs) bands (ev): -64.9402 -64.9402 -37.0291 -37.0291 -36.0765 -36.0765 -36.0313 -36.0313 -7.6951 -7.6951 -7.3230 -7.3230 1.5116 1.5116 2.2346 2.2346 2.9587 2.9587 3.2278 3.2278 3.6281 3.6281 4.1371 4.1371 5.9006 5.9006 5.9669 5.9669 6.1929 6.1929 6.9242 6.9242 7.2360 7.2360 10.2406 10.2406 k = 0.0628-0.1170 0.3097 ( 8098 PWs) bands (ev): -64.9397 -64.9397 -37.0290 -37.0290 -36.0764 -36.0764 -36.0311 -36.0311 -7.7092 -7.7092 -7.3314 -7.3314 1.5052 1.5052 2.2815 2.2815 2.9566 2.9566 3.2511 3.2511 3.6640 3.6640 4.1832 4.1832 5.8954 5.8954 5.9555 5.9555 6.1672 6.1672 6.9358 6.9358 7.2800 7.2800 10.1803 10.1803 k = 0.0565-0.1053 0.3097 ( 8092 PWs) bands (ev): -64.9395 -64.9395 -37.0290 -37.0290 -36.0764 -36.0764 -36.0309 -36.0309 -7.7222 -7.7222 -7.3391 -7.3391 1.4985 1.4985 2.3271 2.3271 2.9502 2.9502 3.2677 3.2677 3.7044 3.7044 4.2302 4.2302 5.8883 5.8883 5.9450 5.9450 6.1412 6.1412 6.9460 6.9460 7.3252 7.3252 10.1210 10.1210 k = 0.0502-0.0936 0.3097 ( 8094 PWs) bands (ev): -64.9396 -64.9396 -37.0290 -37.0290 -36.0764 -36.0764 -36.0309 -36.0309 -7.7339 -7.7339 -7.3460 -7.3460 1.4919 1.4919 2.3712 2.3712 2.9409 2.9409 3.2780 3.2780 3.7471 3.7471 4.2778 4.2778 5.8783 5.8783 5.9335 5.9335 6.1154 6.1154 6.9557 6.9557 7.3709 7.3709 10.0631 10.0631 k = 0.0439-0.0819 0.3097 ( 8094 PWs) bands (ev): -64.9396 -64.9396 -37.0289 -37.0289 -36.0764 -36.0764 -36.0308 -36.0308 -7.7443 -7.7443 -7.3523 -7.3523 1.4856 1.4856 2.4137 2.4137 2.9293 2.9293 3.2833 3.2833 3.7894 3.7894 4.3255 4.3255 5.8655 5.8655 5.9230 5.9230 6.0923 6.0923 6.9640 6.9640 7.4170 7.4170 10.0076 10.0076 k = 0.0377-0.0702 0.3097 ( 8100 PWs) bands (ev): -64.9399 -64.9399 -37.0290 -37.0290 -36.0764 -36.0764 -36.0308 -36.0308 -7.7533 -7.7533 -7.3577 -7.3577 1.4798 1.4798 2.4541 2.4541 2.9159 2.9159 3.2849 3.2849 3.8292 3.8292 4.3723 4.3723 5.8502 5.8502 5.9125 5.9125 6.0708 6.0708 6.9716 6.9716 7.4610 7.4610 9.9555 9.9555 k = 0.0314-0.0585 0.3097 ( 8096 PWs) bands (ev): -64.9397 -64.9397 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7611 -7.7611 -7.3624 -7.3624 1.4746 1.4746 2.4919 2.4919 2.9012 2.9012 3.2844 3.2844 3.8647 3.8647 4.4172 4.4172 5.8330 5.8330 5.9043 5.9043 6.0543 6.0543 6.9785 6.9785 7.5029 7.5029 9.9079 9.9079 k = 0.0251-0.0468 0.3097 ( 8100 PWs) bands (ev): -64.9399 -64.9399 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7674 -7.7674 -7.3662 -7.3662 1.4702 1.4702 2.5264 2.5264 2.8859 2.8859 3.2825 3.2825 3.8946 3.8946 4.4582 4.4582 5.8139 5.8139 5.8966 5.8966 6.0414 6.0414 6.9839 6.9839 7.5394 7.5394 9.8661 9.8661 k = 0.0188-0.0351 0.3097 ( 8096 PWs) bands (ev): -64.9397 -64.9397 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7724 -7.7724 -7.3692 -7.3692 1.4667 1.4667 2.5565 2.5565 2.8710 2.8710 3.2803 3.2803 3.9182 3.9182 4.4933 4.4933 5.7961 5.7961 5.8916 5.8916 6.0330 6.0330 6.9883 6.9883 7.5704 7.5704 9.8316 9.8316 k = 0.0126-0.0234 0.3097 ( 8092 PWs) bands (ev): -64.9395 -64.9395 -37.0288 -37.0288 -36.0763 -36.0763 -36.0306 -36.0306 -7.7760 -7.7760 -7.3713 -7.3713 1.4642 1.4642 2.5805 2.5805 2.8578 2.8578 3.2783 3.2783 3.9353 3.9353 4.5205 4.5205 5.7814 5.7814 5.8881 5.8881 6.0278 6.0278 6.9915 6.9915 7.5936 7.5936 9.8058 9.8058 k = 0.0063-0.0117 0.3097 ( 8094 PWs) bands (ev): -64.9396 -64.9396 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.7781 -7.7781 -7.3726 -7.3726 1.4626 1.4626 2.5963 2.5963 2.8484 2.8484 3.2768 3.2768 3.9455 3.9455 4.5377 4.5377 5.7721 5.7721 5.8863 5.8863 6.0239 6.0239 6.9931 6.9931 7.6069 7.6069 9.7898 9.7898 k = 0.0000 0.0000 0.3097 ( 8100 PWs) bands (ev): -64.9399 -64.9399 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7788 -7.7788 -7.3730 -7.3730 1.4621 1.4621 2.6019 2.6019 2.8448 2.8448 3.2761 3.2761 3.9490 3.9490 4.5436 4.5436 5.7676 5.7676 5.8859 5.8859 6.0223 6.0223 6.9931 6.9931 7.6113 7.6113 9.7844 9.7844 k = 0.0000 0.0000 0.3097 ( 8100 PWs) bands (ev): -64.9399 -64.9399 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7788 -7.7788 -7.3730 -7.3730 1.4621 1.4621 2.6019 2.6019 2.8448 2.8448 3.2761 3.2761 3.9490 3.9490 4.5436 4.5436 5.7676 5.7676 5.8859 5.8859 6.0223 6.0223 6.9931 6.9931 7.6113 7.6113 9.7844 9.7844 k = 0.0116 0.0063 0.3097 ( 8100 PWs) bands (ev): -64.9399 -64.9399 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7782 -7.7782 -7.3727 -7.3727 1.4621 1.4621 2.5964 2.5964 2.8478 2.8478 3.2764 3.2764 3.9467 3.9467 4.5389 4.5389 5.7678 5.7678 5.8860 5.8860 6.0254 6.0254 6.9906 6.9906 7.6108 7.6108 9.7925 9.7925 k = 0.0233 0.0125 0.3097 ( 8098 PWs) bands (ev): -64.9398 -64.9398 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7764 -7.7764 -7.3716 -7.3716 1.4622 1.4622 2.5807 2.5807 2.8558 2.8558 3.2769 3.2769 3.9400 3.9400 4.5250 4.5250 5.7692 5.7692 5.8888 5.8888 6.0341 6.0341 6.9816 6.9816 7.6095 7.6095 9.8165 9.8165 k = 0.0349 0.0188 0.3097 ( 8097 PWs) bands (ev): -64.9398 -64.9398 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7734 -7.7734 -7.3699 -7.3699 1.4622 1.4622 2.5567 2.5567 2.8670 2.8670 3.2777 3.2777 3.9289 3.9289 4.5030 4.5030 5.7694 5.7694 5.8945 5.8945 6.0477 6.0477 6.9678 6.9678 7.6068 7.6068 9.8560 9.8560 k = 0.0466 0.0250 0.3097 ( 8099 PWs) bands (ev): -64.9399 -64.9399 -37.0289 -37.0289 -36.0764 -36.0764 -36.0307 -36.0307 -7.7693 -7.7693 -7.3674 -7.3674 1.4621 1.4621 2.5261 2.5261 2.8796 2.8796 3.2781 3.2781 3.9134 3.9134 4.4739 4.4739 5.7701 5.7701 5.9012 5.9012 6.0663 6.0663 6.9486 6.9486 7.6024 7.6024 9.9100 9.9100 k = 0.0582 0.0313 0.3097 ( 8103 PWs) bands (ev): -64.9401 -64.9401 -37.0289 -37.0289 -36.0765 -36.0765 -36.0307 -36.0307 -7.7640 -7.7640 -7.3642 -7.3642 1.4619 1.4619 2.4906 2.4906 2.8925 2.8925 3.2781 3.2781 3.8938 3.8938 4.4393 4.4393 5.7695 5.7695 5.9098 5.9098 6.0885 6.0885 6.9257 6.9257 7.5973 7.5973 9.9773 9.9773 k = 0.0699 0.0375 0.3097 ( 8105 PWs) bands (ev): -64.9402 -64.9402 -37.0290 -37.0290 -36.0765 -36.0765 -36.0307 -36.0307 -7.7575 -7.7575 -7.3604 -7.3604 1.4614 1.4614 2.4512 2.4512 2.9049 2.9049 3.2770 3.2770 3.8703 3.8703 4.4008 4.4008 5.7697 5.7697 5.9200 5.9200 6.1141 6.1141 6.8982 6.8982 7.5921 7.5921 10.0565 10.0565 k = 0.0815 0.0438 0.3097 ( 8102 PWs) bands (ev): -64.9400 -64.9400 -37.0290 -37.0290 -36.0765 -36.0765 -36.0307 -36.0307 -7.7499 -7.7499 -7.3560 -7.3560 1.4604 1.4604 2.4087 2.4087 2.9165 2.9165 3.2746 3.2746 3.8433 3.8433 4.3600 4.3600 5.7690 5.7690 5.9311 5.9311 6.1438 6.1438 6.8685 6.8685 7.5871 7.5871 10.1462 10.1462 k = 0.0932 0.0500 0.3097 ( 8110 PWs) bands (ev): -64.9404 -64.9404 -37.0290 -37.0290 -36.0766 -36.0766 -36.0308 -36.0308 -7.7412 -7.7412 -7.3509 -7.3509 1.4587 1.4587 2.3636 2.3636 2.9266 2.9266 3.2698 3.2698 3.8136 3.8136 4.3182 4.3182 5.7662 5.7662 5.9426 5.9426 6.1739 6.1739 6.8363 6.8363 7.5813 7.5813 10.2445 10.2445 k = 0.1048 0.0563 0.3097 ( 8101 PWs) bands (ev): -64.9400 -64.9400 -37.0290 -37.0290 -36.0765 -36.0765 -36.0308 -36.0308 -7.7314 -7.7314 -7.3452 -7.3452 1.4563 1.4563 2.3165 2.3165 2.9357 2.9357 3.2624 3.2624 3.7818 3.7818 4.2766 4.2766 5.7639 5.7639 5.9562 5.9562 6.2067 6.2067 6.8044 6.8044 7.5768 7.5768 10.3498 10.3498 k = 0.1165 0.0625 0.3097 ( 8106 PWs) bands (ev): -64.9402 -64.9402 -37.0290 -37.0290 -36.0766 -36.0766 -36.0309 -36.0309 -7.7206 -7.7206 -7.3390 -7.3390 1.4526 1.4526 2.2676 2.2676 2.9433 2.9433 3.2515 3.2515 3.7490 3.7490 4.2360 4.2360 5.7590 5.7590 5.9695 5.9695 6.2385 6.2385 6.7718 6.7718 7.5714 7.5714 10.4594 10.4594 k = 0.1281 0.0688 0.3097 ( 8101 PWs) bands (ev): -64.9400 -64.9400 -37.0290 -37.0290 -36.0765 -36.0765 -36.0309 -36.0309 -7.7087 -7.7087 -7.3322 -7.3322 1.4475 1.4475 2.2175 2.2175 2.9495 2.9495 3.2368 3.2368 3.7162 3.7162 4.1971 4.1971 5.7544 5.7544 5.9845 5.9845 6.2707 6.2707 6.7406 6.7406 7.5668 7.5668 10.5677 10.5677 k = 0.1398 0.0750 0.3097 ( 8094 PWs) bands (ev): -64.9397 -64.9397 -37.0290 -37.0290 -36.0765 -36.0765 -36.0309 -36.0309 -7.6959 -7.6959 -7.3250 -7.3250 1.4407 1.4407 2.1664 2.1664 2.9541 2.9541 3.2181 3.2181 3.6846 3.6846 4.1602 4.1602 5.7496 5.7496 5.9999 5.9999 6.3019 6.3019 6.7115 6.7115 7.5620 7.5620 10.6456 10.6456 k = 0.1514 0.0813 0.3097 ( 8096 PWs) bands (ev): -64.9398 -64.9398 -37.0290 -37.0290 -36.0766 -36.0766 -36.0309 -36.0309 -7.6822 -7.6822 -7.3173 -7.3173 1.4316 1.4316 2.1147 2.1147 2.9571 2.9571 3.1956 3.1956 3.6546 3.6546 4.1253 4.1253 5.7426 5.7426 6.0150 6.0150 6.3297 6.3297 6.6844 6.6844 7.5581 7.5581 10.6356 10.6356 k = 0.1631 0.0875 0.3097 ( 8095 PWs) bands (ev): -64.9398 -64.9398 -37.0291 -37.0291 -36.0766 -36.0766 -36.0309 -36.0309 -7.6677 -7.6677 -7.3092 -7.3092 1.4200 1.4200 2.0626 2.0626 2.9580 2.9580 3.1704 3.1704 3.6269 3.6269 4.0928 4.0928 5.7350 5.7350 6.0306 6.0306 6.3555 6.3555 6.6616 6.6616 7.5542 7.5542 10.5829 10.5829 k = 0.1747 0.0938 0.3097 ( 8088 PWs) bands (ev): -64.9394 -64.9394 -37.0290 -37.0290 -36.0765 -36.0765 -36.0309 -36.0309 -7.6523 -7.6523 -7.3007 -7.3007 1.4056 1.4056 2.0106 2.0106 2.9563 2.9563 3.1442 3.1442 3.6014 3.6014 4.0625 4.0625 5.7271 5.7271 6.0454 6.0454 6.3777 6.3777 6.6453 6.6453 7.5517 7.5517 10.5133 10.5133 k = 0.1864 0.1000 0.3097 ( 8090 PWs) bands (ev): -64.9395 -64.9395 -37.0291 -37.0291 -36.0766 -36.0766 -36.0310 -36.0310 -7.6361 -7.6361 -7.2919 -7.2919 1.3878 1.3878 1.9589 1.9589 2.9508 2.9508 3.1190 3.1190 3.5778 3.5778 4.0343 4.0343 5.7181 5.7181 6.0594 6.0594 6.3938 6.3938 6.6343 6.6343 7.5493 7.5493 10.4337 10.4337 k = 0.1980 0.1063 0.3097 ( 8092 PWs) bands (ev): -64.9396 -64.9396 -37.0291 -37.0291 -36.0766 -36.0766 -36.0311 -36.0311 -7.6193 -7.6193 -7.2829 -7.2829 1.3665 1.3665 1.9077 1.9077 2.9404 2.9404 3.0974 3.0974 3.5555 3.5555 4.0081 4.0081 5.7083 5.7083 6.0729 6.0729 6.4045 6.4045 6.6306 6.6306 7.5472 7.5472 10.3483 10.3483 k = 0.2097 0.1125 0.3097 ( 8089 PWs) bands (ev): -64.9395 -64.9395 -37.0291 -37.0291 -36.0766 -36.0766 -36.0311 -36.0311 -7.6018 -7.6018 -7.2737 -7.2737 1.3414 1.3414 1.8575 1.8575 2.9247 2.9247 3.0812 3.0812 3.5343 3.5343 3.9839 3.9839 5.6974 5.6974 6.0869 6.0869 6.4092 6.4092 6.6364 6.6364 7.5458 7.5458 10.2591 10.2591 k = 0.2213 0.1188 0.3097 ( 8085 PWs) bands (ev): -64.9393 -64.9393 -37.0291 -37.0291 -36.0767 -36.0767 -36.0311 -36.0311 -7.5837 -7.5837 -7.2644 -7.2644 1.3124 1.3124 1.8082 1.8082 2.9045 2.9045 3.0708 3.0708 3.5135 3.5135 3.9614 3.9614 5.6875 5.6875 6.1004 6.1004 6.4076 6.4076 6.6493 6.6493 7.5448 7.5448 10.1682 10.1682 k = 0.2330 0.1250 0.3097 ( 8086 PWs) bands (ev): -64.9394 -64.9394 -37.0292 -37.0292 -36.0767 -36.0767 -36.0312 -36.0312 -7.5652 -7.5652 -7.2550 -7.2550 1.2797 1.2797 1.7599 1.7599 2.8819 2.8819 3.0651 3.0651 3.4930 3.4930 3.9405 3.9405 5.6771 5.6771 6.1118 6.1118 6.4022 6.4022 6.6667 6.6667 7.5445 7.5445 10.0767 10.0767 k = 0.2446 0.1313 0.3097 ( 8086 PWs) bands (ev): -64.9394 -64.9394 -37.0292 -37.0292 -36.0767 -36.0767 -36.0312 -36.0312 -7.5462 -7.5462 -7.2456 -7.2456 1.2433 1.2433 1.7128 1.7128 2.8586 2.8586 3.0627 3.0627 3.4724 3.4724 3.9210 3.9210 5.6661 5.6661 6.1236 6.1236 6.3954 6.3954 6.6880 6.6880 7.5440 7.5440 9.9856 9.9856 k = 0.2563 0.1375 0.3097 ( 8092 PWs) bands (ev): -64.9397 -64.9397 -37.0293 -37.0293 -36.0768 -36.0768 -36.0313 -36.0313 -7.5269 -7.5269 -7.2363 -7.2363 1.2038 1.2038 1.6668 1.6668 2.8366 2.8366 3.0626 3.0626 3.4519 3.4519 3.9027 3.9027 5.6553 5.6553 6.1333 6.1333 6.3859 6.3859 6.7113 6.7113 7.5445 7.5445 9.8957 9.8957 k = 0.2679 0.1438 0.3097 ( 8101 PWs) bands (ev): -64.9401 -64.9401 -37.0294 -37.0294 -36.0768 -36.0768 -36.0315 -36.0315 -7.5073 -7.5073 -7.2272 -7.2272 1.1617 1.1617 1.6218 1.6218 2.8165 2.8165 3.0639 3.0639 3.4312 3.4312 3.8855 3.8855 5.6443 5.6443 6.1423 6.1423 6.3770 6.3770 6.7357 6.7357 7.5444 7.5444 9.8078 9.8078 k = 0.2796 0.1501 0.3097 ( 8095 PWs) bands (ev): -64.9399 -64.9399 -37.0294 -37.0294 -36.0768 -36.0768 -36.0314 -36.0314 -7.4875 -7.4875 -7.2182 -7.2182 1.1175 1.1175 1.5777 1.5777 2.7992 2.7992 3.0664 3.0664 3.4107 3.4107 3.8691 3.8691 5.6337 5.6337 6.1529 6.1529 6.3711 6.3711 6.7614 6.7614 7.5455 7.5455 9.7224 9.7224 k = 0.2912 0.1563 0.3097 ( 8092 PWs) bands (ev): -64.9398 -64.9398 -37.0294 -37.0294 -36.0768 -36.0768 -36.0315 -36.0315 -7.4676 -7.4676 -7.2095 -7.2095 1.0720 1.0720 1.5347 1.5347 2.7849 2.7849 3.0696 3.0696 3.3904 3.3904 3.8534 3.8534 5.6230 5.6230 6.1616 6.1616 6.3636 6.3636 6.7900 6.7900 7.5469 7.5469 9.6402 9.6402 k = 0.3029 0.1626 0.3097 ( 8093 PWs) bands (ev): -64.9398 -64.9398 -37.0294 -37.0294 -36.0769 -36.0769 -36.0315 -36.0315 -7.4477 -7.4477 -7.2012 -7.2012 1.0257 1.0257 1.4926 1.4926 2.7733 2.7733 3.0732 3.0732 3.3705 3.3705 3.8382 3.8382 5.6123 5.6123 6.1695 6.1695 6.3577 6.3577 6.8168 6.8168 7.5487 7.5487 9.5615 9.5615 k = 0.3145 0.1688 0.3097 ( 8093 PWs) bands (ev): -64.9398 -64.9398 -37.0294 -37.0294 -36.0769 -36.0769 -36.0316 -36.0316 -7.4279 -7.4279 -7.1934 -7.1934 0.9793 0.9793 1.4516 1.4516 2.7645 2.7645 3.0771 3.0771 3.3513 3.3513 3.8234 3.8234 5.6021 5.6021 6.1771 6.1771 6.3520 6.3520 6.8441 6.8441 7.5509 7.5509 9.4869 9.4869 k = 0.3262 0.1751 0.3097 ( 8097 PWs) bands (ev): -64.9400 -64.9400 -37.0295 -37.0295 -36.0769 -36.0769 -36.0317 -36.0317 -7.4082 -7.4082 -7.1860 -7.1860 0.9333 0.9333 1.4118 1.4118 2.7581 2.7581 3.0808 3.0808 3.3329 3.3329 3.8090 3.8090 5.5920 5.5920 6.1836 6.1836 6.3464 6.3464 6.8713 6.8713 7.5529 7.5529 9.4166 9.4166 k = 0.3378 0.1813 0.3097 ( 8087 PWs) bands (ev): -64.9396 -64.9396 -37.0295 -37.0295 -36.0769 -36.0769 -36.0316 -36.0316 -7.3888 -7.3888 -7.1792 -7.1792 0.8884 0.8884 1.3734 1.3734 2.7540 2.7540 3.0843 3.0843 3.3158 3.3158 3.7948 3.7948 5.5835 5.5835 6.1910 6.1910 6.3426 6.3426 6.9005 6.9005 7.5551 7.5551 9.3513 9.3513 k = 0.3495 0.1876 0.3097 ( 8092 PWs) bands (ev): -64.9398 -64.9398 -37.0295 -37.0295 -36.0770 -36.0770 -36.0317 -36.0317 -7.3697 -7.3697 -7.1731 -7.1731 0.8450 0.8450 1.3364 1.3364 2.7516 2.7516 3.0871 3.0871 3.3001 3.3001 3.7808 3.7808 5.5746 5.5746 6.1960 6.1960 6.3388 6.3388 6.9266 6.9266 7.5570 7.5570 9.2911 9.2911 k = 0.3611 0.1938 0.3097 ( 8091 PWs) bands (ev): -64.9398 -64.9398 -37.0295 -37.0295 -36.0770 -36.0770 -36.0317 -36.0317 -7.3510 -7.3510 -7.1677 -7.1677 0.8036 0.8036 1.3012 1.3012 2.7508 2.7508 3.0890 3.0890 3.2864 3.2864 3.7670 3.7670 5.5670 5.5670 6.2007 6.2007 6.3353 6.3353 6.9528 6.9528 7.5598 7.5598 9.2363 9.2363 k = 0.3728 0.2001 0.3097 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0296 -37.0296 -36.0770 -36.0770 -36.0318 -36.0318 -7.3329 -7.3329 -7.1630 -7.1630 0.7645 0.7645 1.2679 1.2679 2.7513 2.7513 3.0895 3.0895 3.2748 3.2748 3.7533 3.7533 5.5603 5.5603 6.2040 6.2040 6.3333 6.3333 6.9769 6.9769 7.5619 7.5619 9.1872 9.1872 k = 0.3844 0.2063 0.3097 ( 8094 PWs) bands (ev): -64.9399 -64.9399 -37.0296 -37.0296 -36.0770 -36.0770 -36.0318 -36.0318 -7.3155 -7.3155 -7.1591 -7.1591 0.7281 0.7281 1.2366 1.2366 2.7528 2.7528 3.0883 3.0883 3.2660 3.2660 3.7399 3.7399 5.5541 5.5541 6.2080 6.2080 6.3306 6.3306 7.0011 7.0011 7.5644 7.5644 9.1440 9.1440 k = 0.3961 0.2126 0.3097 ( 8097 PWs) bands (ev): -64.9401 -64.9401 -37.0296 -37.0296 -36.0771 -36.0771 -36.0319 -36.0319 -7.2988 -7.2988 -7.1561 -7.1561 0.6948 0.6948 1.2076 1.2076 2.7549 2.7549 3.0853 3.0853 3.2597 3.2597 3.7266 3.7266 5.5484 5.5484 6.2107 6.2107 6.3291 6.3291 7.0242 7.0242 7.5658 7.5658 9.1068 9.1068 k = 0.4077 0.2188 0.3097 ( 8097 PWs) bands (ev): -64.9401 -64.9401 -37.0297 -37.0297 -36.0771 -36.0771 -36.0319 -36.0319 -7.2829 -7.2829 -7.1539 -7.1539 0.6648 0.6648 1.1810 1.1810 2.7575 2.7575 3.0805 3.0805 3.2563 3.2563 3.7138 3.7138 5.5438 5.5438 6.2140 6.2140 6.3272 6.3272 7.0455 7.0455 7.5682 7.5682 9.0757 9.0757 k = 0.4194 0.2251 0.3097 ( 8093 PWs) bands (ev): -64.9399 -64.9399 -37.0297 -37.0297 -36.0771 -36.0771 -36.0319 -36.0319 -7.2681 -7.2681 -7.1526 -7.1526 0.6384 0.6384 1.1569 1.1569 2.7604 2.7604 3.0742 3.0742 3.2552 3.2552 3.7014 3.7014 5.5411 5.5411 6.2181 6.2181 6.3246 6.3246 7.0655 7.0655 7.5704 7.5704 9.0508 9.0508 k = 0.4310 0.2313 0.3097 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0771 -36.0771 -36.0320 -36.0320 -7.2544 -7.2544 -7.1520 -7.1520 0.6158 0.6158 1.1354 1.1354 2.7632 2.7632 3.0667 3.0667 3.2558 3.2558 3.6896 3.6896 5.5380 5.5380 6.2184 6.2184 6.3228 6.3228 7.0841 7.0841 7.5721 7.5721 9.0319 9.0319 k = 0.4427 0.2376 0.3097 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0772 -36.0772 -36.0320 -36.0320 -7.2422 -7.2422 -7.1521 -7.1521 0.5971 0.5971 1.1167 1.1167 2.7659 2.7659 3.0585 3.0585 3.2579 3.2579 3.6787 3.6787 5.5364 5.5364 6.2205 6.2205 6.3208 6.3208 7.1008 7.1008 7.5740 7.5740 9.0191 9.0191 k = 0.4543 0.2438 0.3097 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0772 -36.0772 -36.0320 -36.0320 -7.2316 -7.2316 -7.1526 -7.1526 0.5827 0.5827 1.1008 1.1008 2.7680 2.7680 3.0500 3.0500 3.2609 3.2609 3.6689 3.6689 5.5358 5.5358 6.2219 6.2219 6.3188 6.3188 7.1161 7.1161 7.5753 7.5753 9.0122 9.0122 k = 0.4660 0.2501 0.3097 ( 8103 PWs) bands (ev): -64.9404 -64.9404 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2232 -7.2232 -7.1531 -7.1531 0.5725 0.5725 1.0878 1.0878 2.7694 2.7694 3.0415 3.0415 3.2642 3.2642 3.6604 3.6604 5.5366 5.5366 6.2216 6.2216 6.3171 6.3171 7.1279 7.1279 7.5764 7.5764 9.0108 9.0108 k = 0.4776 0.2563 0.3097 ( 8099 PWs) bands (ev): -64.9402 -64.9402 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.2176 -7.2176 -7.1531 -7.1531 0.5667 0.5667 1.0777 1.0777 2.7700 2.7700 3.0333 3.0333 3.2677 3.2677 3.6535 3.6535 5.5388 5.5388 6.2220 6.2220 6.3163 6.3163 7.1389 7.1389 7.5773 7.5773 9.0148 9.0148 k = 0.5000 0.2683-0.2526 ( 8116 PWs) bands (ev): -64.9411 -64.9411 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2072 -7.2072 -7.1588 -7.1588 0.5478 0.5478 1.0474 1.0474 2.8006 2.8006 3.0314 3.0314 3.3073 3.3073 3.6519 3.6519 5.5296 5.5296 6.2198 6.2198 6.3141 6.3141 7.1751 7.1751 7.5962 7.5962 8.9707 8.9707 k = 0.5063 0.2566-0.2526 ( 8114 PWs) bands (ev): -64.9410 -64.9410 -37.0299 -37.0299 -36.0773 -36.0773 -36.0322 -36.0322 -7.2069 -7.2069 -7.1585 -7.1585 0.5488 0.5488 1.0482 1.0482 2.7987 2.7987 3.0286 3.0286 3.3064 3.3064 3.6487 3.6487 5.5332 5.5332 6.2205 6.2205 6.3140 6.3140 7.1742 7.1742 7.5922 7.5922 8.9755 8.9755 k = 0.5126 0.2449-0.2526 ( 8112 PWs) bands (ev): -64.9409 -64.9409 -37.0298 -37.0298 -36.0773 -36.0773 -36.0322 -36.0322 -7.2058 -7.2058 -7.1575 -7.1575 0.5521 0.5521 1.0507 1.0507 2.7929 2.7929 3.0201 3.0201 3.3038 3.3038 3.6396 3.6396 5.5435 5.5435 6.2213 6.2213 6.3132 6.3132 7.1713 7.1713 7.5812 7.5812 8.9897 8.9897 k = 0.5189 0.2331-0.2526 ( 8110 PWs) bands (ev): -64.9408 -64.9408 -37.0298 -37.0298 -36.0772 -36.0772 -36.0322 -36.0322 -7.2041 -7.2041 -7.1558 -7.1558 0.5575 0.5575 1.0549 1.0549 2.7833 2.7833 3.0058 3.0058 3.2991 3.2991 3.6258 3.6258 5.5605 5.5605 6.2212 6.2212 6.3115 6.3115 7.1674 7.1674 7.5630 7.5630 9.0133 9.0133 k = 0.5252 0.2214-0.2526 ( 8098 PWs) bands (ev): -64.9402 -64.9402 -37.0298 -37.0298 -36.0772 -36.0772 -36.0321 -36.0321 -7.2017 -7.2017 -7.1535 -7.1535 0.5651 0.5651 1.0606 1.0606 2.7698 2.7698 2.9855 2.9855 3.2922 3.2922 3.6091 3.6091 5.5835 5.5835 6.2211 6.2211 6.3094 6.3094 7.1633 7.1633 7.5407 7.5407 9.0457 9.0457 k = 0.5315 0.2097-0.2526 ( 8090 PWs) bands (ev): -64.9398 -64.9398 -37.0297 -37.0297 -36.0771 -36.0771 -36.0321 -36.0321 -7.1986 -7.1986 -7.1505 -7.1505 0.5748 0.5748 1.0680 1.0680 2.7517 2.7517 2.9588 2.9588 3.2826 3.2826 3.5916 3.5916 5.6120 5.6120 6.2219 6.2219 6.3064 6.3064 7.1560 7.1560 7.5119 7.5119 9.0864 9.0864 k = 0.5378 0.1979-0.2526 ( 8094 PWs) bands (ev): -64.9400 -64.9400 -37.0298 -37.0298 -36.0771 -36.0771 -36.0322 -36.0322 -7.1949 -7.1949 -7.1470 -7.1470 0.5866 0.5866 1.0769 1.0769 2.7288 2.7288 2.9255 2.9255 3.2710 3.2710 3.5747 3.5747 5.6423 5.6423 6.2200 6.2200 6.3026 6.3026 7.1464 7.1464 7.4796 7.4796 9.1348 9.1348 k = 0.5441 0.1862-0.2526 ( 8094 PWs) bands (ev): -64.9400 -64.9400 -37.0298 -37.0298 -36.0771 -36.0771 -36.0322 -36.0322 -7.1906 -7.1906 -7.1428 -7.1428 0.6004 0.6004 1.0874 1.0874 2.7009 2.7009 2.8858 2.8858 3.2583 3.2583 3.5594 3.5594 5.6750 5.6750 6.2189 6.2189 6.2980 6.2980 7.1361 7.1361 7.4457 7.4457 9.1900 9.1900 k = 0.5504 0.1745-0.2526 ( 8096 PWs) bands (ev): -64.9401 -64.9401 -37.0298 -37.0298 -36.0770 -36.0770 -36.0324 -36.0324 -7.1858 -7.1858 -7.1380 -7.1380 0.6162 0.6162 1.0993 1.0993 2.6669 2.6669 2.8408 2.8408 3.2458 3.2458 3.5459 3.5459 5.7090 5.7090 6.2161 6.2161 6.2931 6.2931 7.1243 7.1243 7.4115 7.4115 9.2510 9.2510 k = 0.5567 0.1627-0.2526 ( 8104 PWs) bands (ev): -64.9405 -64.9405 -37.0299 -37.0299 -36.0771 -36.0771 -36.0325 -36.0325 -7.1805 -7.1805 -7.1327 -7.1327 0.6340 0.6340 1.1126 1.1126 2.6257 2.6257 2.7924 2.7924 3.2342 3.2342 3.5339 3.5339 5.7431 5.7431 6.2144 6.2144 6.2867 6.2867 7.1103 7.1103 7.3766 7.3766 9.3168 9.3168 k = 0.5630 0.1510-0.2526 ( 8104 PWs) bands (ev): -64.9405 -64.9405 -37.0299 -37.0299 -36.0771 -36.0771 -36.0326 -36.0326 -7.1747 -7.1747 -7.1268 -7.1268 0.6536 0.6536 1.1271 1.1271 2.5762 2.5762 2.7433 2.7433 3.2242 3.2242 3.5227 3.5227 5.7776 5.7776 6.2132 6.2132 6.2806 6.2806 7.0960 7.0960 7.3438 7.3438 9.3862 9.3862 k = 0.5693 0.1393-0.2526 ( 8102 PWs) bands (ev): -64.9404 -64.9404 -37.0299 -37.0299 -36.0771 -36.0771 -36.0326 -36.0326 -7.1685 -7.1685 -7.1205 -7.1205 0.6750 0.6750 1.1429 1.1429 2.5180 2.5180 2.6956 2.6956 3.2159 3.2159 3.5119 3.5119 5.8114 5.8114 6.2124 6.2124 6.2744 6.2744 7.0811 7.0811 7.3130 7.3130 9.4581 9.4581 k = 0.5756 0.1275-0.2526 ( 8094 PWs) bands (ev): -64.9400 -64.9400 -37.0299 -37.0299 -36.0770 -36.0770 -36.0326 -36.0326 -7.1620 -7.1620 -7.1137 -7.1137 0.6981 0.6981 1.1596 1.1596 2.4520 2.4520 2.6505 2.6505 3.2091 3.2091 3.5010 3.5010 5.8441 5.8441 6.2120 6.2120 6.2685 6.2685 7.0657 7.0657 7.2863 7.2863 9.5311 9.5311 k = 0.5819 0.1158-0.2526 ( 8090 PWs) bands (ev): -64.9398 -64.9398 -37.0299 -37.0299 -36.0770 -36.0770 -36.0326 -36.0326 -7.1553 -7.1553 -7.1064 -7.1064 0.7227 0.7227 1.1771 1.1771 2.3802 2.3802 2.6074 2.6074 3.2035 3.2035 3.4895 3.4895 5.8751 5.8751 6.2113 6.2113 6.2631 6.2631 7.0486 7.0486 7.2621 7.2621 9.6041 9.6041 k = 0.5882 0.1041-0.2526 ( 8084 PWs) bands (ev): -64.9395 -64.9395 -37.0299 -37.0299 -36.0769 -36.0769 -36.0326 -36.0326 -7.1483 -7.1483 -7.0988 -7.0988 0.7488 0.7488 1.1952 1.1952 2.3051 2.3051 2.5658 2.5658 3.1989 3.1989 3.4775 3.4775 5.9049 5.9049 6.2094 6.2094 6.2583 6.2583 7.0313 7.0313 7.2418 7.2418 9.6758 9.6758 k = 0.5945 0.0923-0.2526 ( 8084 PWs) bands (ev): -64.9395 -64.9395 -37.0299 -37.0299 -36.0770 -36.0770 -36.0327 -36.0327 -7.1413 -7.1413 -7.0908 -7.0908 0.7760 0.7760 1.2134 1.2134 2.2287 2.2287 2.5252 2.5252 3.1948 3.1948 3.4647 3.4647 5.9314 5.9314 6.2066 6.2066 6.2544 6.2544 7.0127 7.0127 7.2252 7.2252 9.7450 9.7450 k = 0.6008 0.0806-0.2526 ( 8082 PWs) bands (ev): -64.9394 -64.9394 -37.0299 -37.0299 -36.0769 -36.0769 -36.0328 -36.0328 -7.1342 -7.1342 -7.0826 -7.0826 0.8043 0.8043 1.2314 1.2314 2.1531 2.1531 2.4854 2.4854 3.1912 3.1912 3.4511 3.4511 5.9553 5.9553 6.2033 6.2033 6.2523 6.2523 6.9929 6.9929 7.2135 7.2135 9.8106 9.8106 k = 0.6070 0.0689-0.2526 ( 8084 PWs) bands (ev): -64.9395 -64.9395 -37.0299 -37.0299 -36.0769 -36.0769 -36.0329 -36.0329 -7.1272 -7.1272 -7.0741 -7.0741 0.8333 0.8333 1.2486 1.2486 2.0801 2.0801 2.4462 2.4462 3.1875 3.1875 3.4368 3.4368 5.9767 5.9767 6.1996 6.1996 6.2515 6.2515 6.9717 6.9717 7.2053 7.2053 9.8716 9.8716 k = 0.6133 0.0571-0.2526 ( 8086 PWs) bands (ev): -64.9396 -64.9396 -37.0300 -37.0300 -36.0769 -36.0769 -36.0330 -36.0330 -7.1204 -7.1204 -7.0654 -7.0654 0.8627 0.8627 1.2641 1.2641 2.0114 2.0114 2.4079 2.4079 3.1838 3.1838 3.4220 3.4220 5.9944 5.9944 6.1959 6.1959 6.2516 6.2516 6.9499 6.9499 7.2024 7.2024 9.9268 9.9268 k = 0.6196 0.0454-0.2526 ( 8088 PWs) bands (ev): -64.9396 -64.9396 -37.0300 -37.0300 -36.0769 -36.0769 -36.0331 -36.0331 -7.1138 -7.1138 -7.0565 -7.0565 0.8920 0.8920 1.2771 1.2771 1.9491 1.9491 2.3707 2.3707 3.1798 3.1798 3.4068 3.4068 6.0076 6.0076 6.1933 6.1933 6.2530 6.2530 6.9275 6.9275 7.2044 7.2044 9.9753 9.9753 k = 0.6259 0.0337-0.2526 ( 8082 PWs) bands (ev): -64.9393 -64.9393 -37.0300 -37.0300 -36.0769 -36.0769 -36.0331 -36.0331 -7.1076 -7.1076 -7.0475 -7.0475 0.9205 0.9205 1.2865 1.2865 1.8950 1.8950 2.3349 2.3349 3.1754 3.1754 3.3913 3.3913 6.0175 6.0175 6.1924 6.1924 6.2554 6.2554 6.9050 6.9050 7.2127 7.2127 10.0161 10.0161 k = 0.6322 0.0219-0.2526 ( 8070 PWs) bands (ev): -64.9387 -64.9387 -37.0300 -37.0300 -36.0768 -36.0768 -36.0331 -36.0331 -7.1018 -7.1018 -7.0386 -7.0386 0.9473 0.9473 1.2916 1.2916 1.8513 1.8513 2.3007 2.3007 3.1704 3.1704 3.3757 3.3757 6.0241 6.0241 6.1943 6.1943 6.2603 6.2603 6.8833 6.8833 7.2233 7.2233 10.0486 10.0486 k = 0.6385 0.0102-0.2526 ( 8074 PWs) bands (ev): -64.9389 -64.9389 -37.0300 -37.0300 -36.0768 -36.0768 -36.0332 -36.0332 -7.0966 -7.0966 -7.0296 -7.0296 0.9711 0.9711 1.2919 1.2919 1.8191 1.8191 2.2685 2.2685 3.1645 3.1645 3.3599 3.3599 6.0255 6.0255 6.1968 6.1968 6.2638 6.2638 6.8592 6.8592 7.2376 7.2376 10.0717 10.0717 k = 0.6448-0.0015-0.2526 ( 8078 PWs) bands (ev): -64.9391 -64.9391 -37.0301 -37.0301 -36.0768 -36.0768 -36.0333 -36.0333 -7.0921 -7.0921 -7.0207 -7.0207 0.9901 0.9901 1.2888 1.2888 1.7992 1.7992 2.2391 2.2391 3.1580 3.1580 3.3445 3.3445 6.0241 6.0241 6.1997 6.1997 6.2667 6.2667 6.8355 6.8355 7.2562 7.2562 10.0857 10.0857 k = 0.6511-0.0133-0.2526 ( 8074 PWs) bands (ev): -64.9389 -64.9389 -37.0300 -37.0300 -36.0768 -36.0768 -36.0334 -36.0334 -7.0883 -7.0883 -7.0119 -7.0119 1.0021 1.0021 1.2850 1.2850 1.7909 1.7909 2.2129 2.2129 3.1505 3.1505 3.3294 3.3294 6.0202 6.0202 6.2047 6.2047 6.2715 6.2715 6.8127 6.8127 7.2783 7.2783 10.0910 10.0910 k = 0.6574-0.0250-0.2526 ( 8070 PWs) bands (ev): -64.9386 -64.9386 -37.0300 -37.0300 -36.0767 -36.0767 -36.0334 -36.0334 -7.0853 -7.0853 -7.0033 -7.0033 1.0049 1.0049 1.2838 1.2838 1.7922 1.7922 2.1907 2.1907 3.1421 3.1421 3.3149 3.3149 6.0151 6.0151 6.2106 6.2106 6.2764 6.2764 6.7907 6.7907 7.3016 7.3016 10.0888 10.0888 k = 0.6637-0.0367-0.2526 ( 8068 PWs) bands (ev): -64.9385 -64.9385 -37.0301 -37.0301 -36.0767 -36.0767 -36.0335 -36.0335 -7.0833 -7.0833 -6.9950 -6.9950 0.9980 0.9980 1.2877 1.2877 1.8009 1.8009 2.1733 2.1733 3.1326 3.1326 3.3013 3.3013 6.0086 6.0086 6.2152 6.2152 6.2810 6.2810 6.7697 6.7697 7.3280 7.3280 10.0804 10.0804 k = 0.3363-0.6266 0.0000 ( 8068 PWs) bands (ev): -64.9385 -64.9385 -37.0301 -37.0301 -36.0767 -36.0767 -36.0335 -36.0335 -7.0833 -7.0833 -6.9950 -6.9950 0.9980 0.9980 1.2877 1.2877 1.8009 1.8009 2.1733 2.1733 3.1326 3.1326 3.3013 3.3013 6.0086 6.0086 6.2152 6.2152 6.2810 6.2810 6.7697 6.7697 7.3280 7.3280 10.0804 10.0804 k = 0.3301-0.6150 0.0000 ( 8075 PWs) bands (ev): -64.9388 -64.9388 -37.0301 -37.0301 -36.0768 -36.0768 -36.0336 -36.0336 -7.0823 -7.0823 -6.9871 -6.9871 0.9829 0.9829 1.2969 1.2969 1.8143 1.8143 2.1616 2.1616 3.1219 3.1219 3.2890 3.2890 6.0001 6.0001 6.2191 6.2191 6.2845 6.2845 6.7492 6.7492 7.3554 7.3554 10.0675 10.0675 k = 0.3238-0.6034 0.0000 ( 8083 PWs) bands (ev): -64.9392 -64.9392 -37.0302 -37.0302 -36.0768 -36.0768 -36.0337 -36.0337 -7.0825 -7.0825 -6.9795 -6.9795 0.9623 0.9623 1.3097 1.3097 1.8307 1.8307 2.1563 2.1563 3.1097 3.1097 3.2782 3.2782 5.9924 5.9924 6.2214 6.2214 6.2871 6.2871 6.7303 6.7303 7.3837 7.3837 10.0516 10.0516 k = 0.3176-0.5918 0.0000 ( 8081 PWs) bands (ev): -64.9391 -64.9391 -37.0302 -37.0302 -36.0768 -36.0768 -36.0337 -36.0337 -7.0837 -7.0837 -6.9723 -6.9723 0.9391 0.9391 1.3243 1.3243 1.8486 1.8486 2.1580 2.1580 3.0962 3.0962 3.2693 3.2693 5.9866 5.9866 6.2242 6.2242 6.2906 6.2906 6.7123 6.7123 7.4137 7.4137 10.0343 10.0343 k = 0.3114-0.5802 0.0000 ( 8079 PWs) bands (ev): -64.9390 -64.9390 -37.0302 -37.0302 -36.0768 -36.0768 -36.0338 -36.0338 -7.0863 -7.0863 -6.9656 -6.9656 0.9156 0.9156 1.3390 1.3390 1.8668 1.8668 2.1671 2.1671 3.0812 3.0812 3.2628 3.2628 5.9797 5.9797 6.2266 6.2266 6.2935 6.2935 6.6967 6.6967 7.4444 7.4444 10.0166 10.0166 k = 0.3051-0.5686 0.0000 ( 8083 PWs) bands (ev): -64.9391 -64.9391 -37.0302 -37.0302 -36.0768 -36.0768 -36.0339 -36.0339 -7.0901 -7.0901 -6.9593 -6.9593 0.8934 0.8934 1.3525 1.3525 1.8849 1.8849 2.1834 2.1834 3.0649 3.0649 3.2585 3.2585 5.9737 5.9737 6.2268 6.2268 6.2951 6.2951 6.6819 6.6819 7.4749 7.4749 9.9991 9.9991 k = 0.2989-0.5570 0.0000 ( 8085 PWs) bands (ev): -64.9392 -64.9392 -37.0302 -37.0302 -36.0768 -36.0768 -36.0339 -36.0339 -7.0953 -7.0953 -6.9536 -6.9536 0.8738 0.8738 1.3642 1.3642 1.9028 1.9028 2.2065 2.2065 3.0475 3.0475 3.2569 3.2569 5.9680 5.9680 6.2262 6.2262 6.2971 6.2971 6.6688 6.6688 7.5052 7.5052 9.9826 9.9826 k = 0.2927-0.5454 0.0000 ( 8083 PWs) bands (ev): -64.9390 -64.9390 -37.0302 -37.0302 -36.0767 -36.0767 -36.0339 -36.0339 -7.1018 -7.1018 -6.9485 -6.9485 0.8575 0.8575 1.3738 1.3738 1.9204 1.9204 2.2354 2.2354 3.0295 3.0295 3.2579 3.2579 5.9627 5.9627 6.2253 6.2253 6.3000 6.3000 6.6574 6.6574 7.5349 7.5349 9.9676 9.9676 k = 0.2865-0.5338 0.0000 ( 8083 PWs) bands (ev): -64.9390 -64.9390 -37.0302 -37.0302 -36.0767 -36.0767 -36.0340 -36.0340 -7.1098 -7.1098 -6.9440 -6.9440 0.8452 0.8452 1.3812 1.3812 1.9377 1.9377 2.2692 2.2692 3.0114 3.0114 3.2616 3.2616 5.9575 5.9575 6.2250 6.2250 6.3019 6.3019 6.6461 6.6461 7.5638 7.5638 9.9547 9.9547 k = 0.2802-0.5222 0.0000 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0302 -37.0302 -36.0767 -36.0767 -36.0340 -36.0340 -7.1192 -7.1192 -6.9402 -6.9402 0.8373 0.8373 1.3868 1.3868 1.9545 1.9545 2.3070 2.3070 2.9938 2.9938 3.2680 3.2680 5.9527 5.9527 6.2233 6.2233 6.3034 6.3034 6.6361 6.6361 7.5912 7.5912 9.9439 9.9439 k = 0.2740-0.5106 0.0000 ( 8079 PWs) bands (ev): -64.9388 -64.9388 -37.0302 -37.0302 -36.0767 -36.0767 -36.0339 -36.0339 -7.1300 -7.1300 -6.9370 -6.9370 0.8341 0.8341 1.3908 1.3908 1.9704 1.9704 2.3479 2.3479 2.9773 2.9773 3.2771 3.2771 5.9485 5.9485 6.2226 6.2226 6.3061 6.3061 6.6275 6.6275 7.6172 7.6172 9.9356 9.9356 k = 0.2678-0.4990 0.0000 ( 8079 PWs) bands (ev): -64.9387 -64.9387 -37.0302 -37.0302 -36.0767 -36.0767 -36.0339 -36.0339 -7.1423 -7.1423 -6.9345 -6.9345 0.8358 0.8358 1.3937 1.3937 1.9850 1.9850 2.3913 2.3913 2.9626 2.9626 3.2884 3.2884 5.9443 5.9443 6.2224 6.2224 6.3083 6.3083 6.6193 6.6193 7.6389 7.6389 9.9298 9.9298 k = 0.2616-0.4873 0.0000 ( 8077 PWs) bands (ev): -64.9386 -64.9386 -37.0302 -37.0302 -36.0766 -36.0766 -36.0339 -36.0339 -7.1560 -7.1560 -6.9328 -6.9328 0.8425 0.8425 1.3959 1.3959 1.9976 1.9976 2.4367 2.4367 2.9503 2.9503 3.3026 3.3026 5.9405 5.9405 6.2214 6.2214 6.3114 6.3114 6.6113 6.6113 7.6590 7.6590 9.9265 9.9265 k = 0.2553-0.4757 0.0000 ( 8073 PWs) bands (ev): -64.9384 -64.9384 -37.0301 -37.0301 -36.0766 -36.0766 -36.0338 -36.0338 -7.1711 -7.1711 -6.9318 -6.9318 0.8542 0.8542 1.3976 1.3976 2.0077 2.0077 2.4836 2.4836 2.9409 2.9409 3.3195 3.3195 5.9361 5.9361 6.2212 6.2212 6.3140 6.3140 6.6051 6.6051 7.6767 7.6767 9.9261 9.9261 k = 0.2491-0.4641 0.0000 ( 8083 PWs) bands (ev): -64.9388 -64.9388 -37.0302 -37.0302 -36.0766 -36.0766 -36.0339 -36.0339 -7.1875 -7.1875 -6.9315 -6.9315 0.8709 0.8709 1.3991 1.3991 2.0149 2.0149 2.5317 2.5317 2.9348 2.9348 3.3386 3.3386 5.9317 5.9317 6.2210 6.2210 6.3141 6.3141 6.5980 6.5980 7.6893 7.6893 9.9284 9.9284 k = 0.2429-0.4525 0.0000 ( 8089 PWs) bands (ev): -64.9391 -64.9391 -37.0302 -37.0302 -36.0766 -36.0766 -36.0340 -36.0340 -7.2052 -7.2052 -6.9320 -6.9320 0.8925 0.8925 1.4006 1.4006 2.0192 2.0192 2.5807 2.5807 2.9324 2.9324 3.3604 3.3604 5.9271 5.9271 6.2226 6.2226 6.3148 6.3148 6.5910 6.5910 7.6990 7.6990 9.9338 9.9338 k = 0.2366-0.4409 0.0000 ( 8093 PWs) bands (ev): -64.9393 -64.9393 -37.0302 -37.0302 -36.0766 -36.0766 -36.0340 -36.0340 -7.2242 -7.2242 -6.9332 -6.9332 0.9189 0.9189 1.4021 1.4021 2.0208 2.0208 2.6303 2.6303 2.9336 2.9336 3.3847 3.3847 5.9232 5.9232 6.2252 6.2252 6.3161 6.3161 6.5838 6.5838 7.7047 7.7047 9.9422 9.9422 k = 0.2304-0.4293 0.0000 ( 8085 PWs) bands (ev): -64.9389 -64.9389 -37.0301 -37.0301 -36.0766 -36.0766 -36.0338 -36.0338 -7.2443 -7.2443 -6.9351 -6.9351 0.9499 0.9499 1.4037 1.4037 2.0201 2.0201 2.6804 2.6804 2.9385 2.9385 3.4119 3.4119 5.9199 5.9199 6.2298 6.2298 6.3183 6.3183 6.5775 6.5775 7.7082 7.7082 9.9539 9.9539 k = 0.2242-0.4177 0.0000 ( 8085 PWs) bands (ev): -64.9389 -64.9389 -37.0301 -37.0301 -36.0766 -36.0766 -36.0337 -36.0337 -7.2655 -7.2655 -6.9378 -6.9378 0.9850 0.9850 1.4053 1.4053 2.0178 2.0178 2.7306 2.7306 2.9467 2.9467 3.4413 3.4413 5.9162 5.9162 6.2351 6.2351 6.3191 6.3191 6.5712 6.5712 7.7065 7.7065 9.9687 9.9687 k = 0.2180-0.4061 0.0000 ( 8087 PWs) bands (ev): -64.9390 -64.9390 -37.0301 -37.0301 -36.0766 -36.0766 -36.0337 -36.0337 -7.2877 -7.2877 -6.9412 -6.9412 1.0236 1.0236 1.4070 1.4070 2.0149 2.0149 2.7804 2.7804 2.9580 2.9580 3.4733 3.4733 5.9137 5.9137 6.2383 6.2383 6.3194 6.3194 6.5657 6.5657 7.7016 7.7016 9.9865 9.9865 k = 0.2117-0.3945 0.0000 ( 8087 PWs) bands (ev): -64.9390 -64.9390 -37.0300 -37.0300 -36.0766 -36.0766 -36.0336 -36.0336 -7.3108 -7.3108 -6.9452 -6.9452 1.0646 1.0646 1.4093 1.4093 2.0124 2.0124 2.8295 2.8295 2.9723 2.9723 3.5076 3.5076 5.9109 5.9109 6.2434 6.2434 6.3196 6.3196 6.5601 6.5601 7.6932 7.6932 10.0077 10.0077 k = 0.2055-0.3829 0.0000 ( 8085 PWs) bands (ev): -64.9389 -64.9389 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.3347 -7.3347 -6.9499 -6.9499 1.1065 1.1065 1.4131 1.4131 2.0114 2.0114 2.8767 2.8767 2.9902 2.9902 3.5442 3.5442 5.9101 5.9101 6.2470 6.2470 6.3191 6.3191 6.5561 6.5561 7.6812 7.6812 10.0322 10.0322 k = 0.1993-0.3713 0.0000 ( 8083 PWs) bands (ev): -64.9388 -64.9388 -37.0299 -37.0299 -36.0764 -36.0764 -36.0335 -36.0335 -7.3593 -7.3593 -6.9552 -6.9552 1.1465 1.1465 1.4206 1.4206 2.0130 2.0130 2.9201 2.9201 3.0129 3.0129 3.5831 3.5831 5.9096 5.9096 6.2493 6.2493 6.3193 6.3193 6.5524 6.5524 7.6662 7.6662 10.0601 10.0601 k = 0.1930-0.3597 0.0000 ( 8081 PWs) bands (ev): -64.9388 -64.9388 -37.0299 -37.0299 -36.0764 -36.0764 -36.0334 -36.0334 -7.3845 -7.3845 -6.9610 -6.9610 1.1800 1.1800 1.4357 1.4357 2.0180 2.0180 2.9565 2.9565 3.0430 3.0430 3.6239 3.6239 5.9097 5.9097 6.2512 6.2512 6.3190 6.3190 6.5503 6.5503 7.6477 7.6477 10.0915 10.0915 k = 0.1868-0.3481 0.0000 ( 8085 PWs) bands (ev): -64.9390 -64.9390 -37.0299 -37.0299 -36.0764 -36.0764 -36.0334 -36.0334 -7.4101 -7.4101 -6.9674 -6.9674 1.2021 1.2021 1.4630 1.4630 2.0271 2.0271 2.9843 2.9843 3.0817 3.0817 3.6664 3.6664 5.9104 5.9104 6.2506 6.2506 6.3182 6.3182 6.5492 6.5492 7.6251 7.6251 10.1261 10.1261 k = 0.1806-0.3365 0.0000 ( 8077 PWs) bands (ev): -64.9386 -64.9386 -37.0298 -37.0298 -36.0763 -36.0763 -36.0332 -36.0332 -7.4362 -7.4362 -6.9743 -6.9743 1.2102 1.2102 1.5047 1.5047 2.0408 2.0408 3.0056 3.0056 3.1269 3.1269 3.7108 3.7108 5.9118 5.9118 6.2497 6.2497 6.3182 6.3182 6.5507 6.5507 7.6015 7.6015 10.1643 10.1643 k = 0.1744-0.3249 0.0000 ( 8075 PWs) bands (ev): -64.9385 -64.9385 -37.0297 -37.0297 -36.0763 -36.0763 -36.0331 -36.0331 -7.4625 -7.4625 -6.9816 -6.9816 1.2059 1.2059 1.5592 1.5592 2.0594 2.0594 3.0226 3.0226 3.1755 3.1755 3.7567 3.7567 5.9134 5.9134 6.2457 6.2457 6.3167 6.3167 6.5538 6.5538 7.5761 7.5761 10.2056 10.2056 k = 0.1681-0.3133 0.0000 ( 8075 PWs) bands (ev): -64.9385 -64.9385 -37.0297 -37.0297 -36.0763 -36.0763 -36.0329 -36.0329 -7.4890 -7.4890 -6.9893 -6.9893 1.1922 1.1922 1.6230 1.6230 2.0828 2.0828 3.0370 3.0370 3.2261 3.2261 3.8039 3.8039 5.9159 5.9159 6.2390 6.2390 6.3134 6.3134 6.5594 6.5594 7.5491 7.5491 10.2498 10.2498 k = 0.1619-0.3017 0.0000 ( 8077 PWs) bands (ev): -64.9387 -64.9387 -37.0296 -37.0296 -36.0763 -36.0763 -36.0329 -36.0329 -7.5155 -7.5155 -6.9973 -6.9973 1.1722 1.1722 1.6932 1.6932 2.1112 2.1112 3.0493 3.0493 3.2778 3.2778 3.8521 3.8521 5.9187 5.9187 6.2305 6.2305 6.3080 6.3080 6.5674 6.5674 7.5209 7.5209 10.2965 10.2965 k = 0.1557-0.2901 0.0000 ( 8075 PWs) bands (ev): -64.9386 -64.9386 -37.0296 -37.0296 -36.0763 -36.0763 -36.0327 -36.0327 -7.5419 -7.5419 -7.0056 -7.0056 1.1478 1.1478 1.7676 1.7676 2.1447 2.1447 3.0600 3.0600 3.3303 3.3303 3.9013 3.9013 5.9221 5.9221 6.2204 6.2204 6.3013 6.3013 6.5788 6.5788 7.4920 7.4920 10.3446 10.3446 k = 0.1495-0.2785 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0296 -37.0296 -36.0763 -36.0763 -36.0327 -36.0327 -7.5682 -7.5682 -7.0142 -7.0142 1.1203 1.1203 1.8442 1.8442 2.1836 2.1836 3.0693 3.0693 3.3833 3.3833 3.9510 3.9510 5.9243 5.9243 6.2080 6.2080 6.2921 6.2921 6.5915 6.5915 7.4634 7.4634 10.3921 10.3921 k = 0.1432-0.2669 0.0000 ( 8077 PWs) bands (ev): -64.9387 -64.9387 -37.0295 -37.0295 -36.0763 -36.0763 -36.0325 -36.0325 -7.5942 -7.5942 -7.0229 -7.0229 1.0909 1.0909 1.9212 1.9212 2.2282 2.2282 3.0771 3.0771 3.4368 3.4368 4.0011 4.0011 5.9283 5.9283 6.1962 6.1962 6.2830 6.2830 6.6054 6.6054 7.4353 7.4353 10.4349 10.4349 k = 0.1370-0.2553 0.0000 ( 8077 PWs) bands (ev): -64.9387 -64.9387 -37.0294 -37.0294 -36.0763 -36.0763 -36.0324 -36.0324 -7.6198 -7.6198 -7.0317 -7.0317 1.0601 1.0601 1.9969 1.9969 2.2793 2.2793 3.0838 3.0838 3.4907 3.4907 4.0513 4.0513 5.9312 5.9312 6.1827 6.1827 6.2716 6.2716 6.6213 6.6213 7.4078 7.4078 10.4627 10.4627 k = 0.1308-0.2437 0.0000 ( 8075 PWs) bands (ev): -64.9386 -64.9386 -37.0294 -37.0294 -36.0762 -36.0762 -36.0323 -36.0323 -7.6450 -7.6450 -7.0406 -7.0406 1.0286 1.0286 2.0693 2.0693 2.3375 2.3375 3.0896 3.0896 3.5450 3.5450 4.1013 4.1013 5.9344 5.9344 6.1680 6.1680 6.2590 6.2590 6.6391 6.6391 7.3818 7.3818 10.4559 10.4559 k = 0.1245-0.2321 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0294 -37.0294 -36.0762 -36.0762 -36.0322 -36.0322 -7.6696 -7.6696 -7.0495 -7.0495 0.9968 0.9968 2.1371 2.1371 2.4034 2.4034 3.0945 3.0945 3.5997 3.5997 4.1508 4.1508 5.9367 5.9367 6.1516 6.1516 6.2444 6.2444 6.6563 6.6563 7.3582 7.3582 10.4161 10.4161 k = 0.1183-0.2205 0.0000 ( 8069 PWs) bands (ev): -64.9384 -64.9384 -37.0292 -37.0292 -36.0762 -36.0762 -36.0319 -36.0319 -7.6936 -7.6936 -7.0584 -7.0584 0.9651 0.9651 2.1998 2.1998 2.4764 2.4764 3.0989 3.0989 3.6549 3.6549 4.1998 4.1998 5.9382 5.9382 6.1376 6.1376 6.2315 6.2315 6.6750 6.6750 7.3381 7.3381 10.3647 10.3647 k = 0.1121-0.2089 0.0000 ( 8073 PWs) bands (ev): -64.9386 -64.9386 -37.0292 -37.0292 -36.0762 -36.0762 -36.0318 -36.0318 -7.7168 -7.7168 -7.0671 -7.0671 0.9338 0.9338 2.2572 2.2572 2.5551 2.5551 3.1029 3.1029 3.7104 3.7104 4.2475 4.2475 5.9393 5.9393 6.1207 6.1207 6.2155 6.2155 6.6926 6.6926 7.3200 7.3200 10.3095 10.3095 k = 0.1059-0.1973 0.0000 ( 8071 PWs) bands (ev): -64.9385 -64.9385 -37.0291 -37.0291 -36.0762 -36.0762 -36.0317 -36.0317 -7.7392 -7.7392 -7.0757 -7.0757 0.9033 0.9033 2.3104 2.3104 2.6375 2.6375 3.1070 3.1070 3.7666 3.7666 4.2941 4.2941 5.9395 5.9395 6.1039 6.1039 6.1996 6.1996 6.7111 6.7111 7.3060 7.3060 10.2521 10.2521 k = 0.0996-0.1857 0.0000 ( 8071 PWs) bands (ev): -64.9385 -64.9385 -37.0291 -37.0291 -36.0762 -36.0762 -36.0316 -36.0316 -7.7608 -7.7608 -7.0841 -7.0841 0.8736 0.8736 2.3601 2.3601 2.7216 2.7216 3.1116 3.1116 3.8235 3.8235 4.3390 4.3390 5.9386 5.9386 6.0864 6.0864 6.1827 6.1827 6.7289 6.7289 7.2966 7.2966 10.1898 10.1898 k = 0.0934-0.1741 0.0000 ( 8071 PWs) bands (ev): -64.9385 -64.9385 -37.0290 -37.0290 -36.0762 -36.0762 -36.0315 -36.0315 -7.7814 -7.7814 -7.0923 -7.0923 0.8450 0.8450 2.4067 2.4067 2.8052 2.8052 3.1171 3.1171 3.8812 3.8812 4.3821 4.3821 5.9364 5.9364 6.0692 6.0692 6.1659 6.1659 6.7464 6.7464 7.2906 7.2906 10.1079 10.1079 k = 0.0872-0.1624 0.0000 ( 8071 PWs) bands (ev): -64.9385 -64.9385 -37.0290 -37.0290 -36.0761 -36.0761 -36.0314 -36.0314 -7.8009 -7.8009 -7.1001 -7.1001 0.8177 0.8177 2.4505 2.4505 2.8859 2.8859 3.1245 3.1245 3.9400 3.9400 4.4232 4.4232 5.9329 5.9329 6.0518 6.0518 6.1488 6.1488 6.7628 6.7628 7.2902 7.2902 10.0111 10.0111 k = 0.0810-0.1508 0.0000 ( 8079 PWs) bands (ev): -64.9388 -64.9388 -37.0290 -37.0290 -36.0762 -36.0762 -36.0313 -36.0313 -7.8194 -7.8194 -7.1076 -7.1076 0.7918 0.7918 2.4915 2.4915 2.9610 2.9610 3.1354 3.1354 4.0000 4.0000 4.4619 4.4619 5.9271 5.9271 6.0336 6.0336 6.1308 6.1308 6.7785 6.7785 7.2938 7.2938 9.9114 9.9114 k = 0.0747-0.1392 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0290 -37.0290 -36.0762 -36.0762 -36.0312 -36.0312 -7.8367 -7.8367 -7.1148 -7.1148 0.7674 0.7674 2.5300 2.5300 3.0255 3.0255 3.1536 3.1536 4.0615 4.0615 4.4982 4.4982 5.9195 5.9195 6.0161 6.0161 6.1140 6.1140 6.7931 6.7931 7.3035 7.3035 9.8117 9.8117 k = 0.0685-0.1276 0.0000 ( 8075 PWs) bands (ev): -64.9386 -64.9386 -37.0289 -37.0289 -36.0762 -36.0762 -36.0311 -36.0311 -7.8528 -7.8528 -7.1215 -7.1215 0.7447 0.7447 2.5655 2.5655 3.0728 3.0728 3.1850 3.1850 4.1245 4.1245 4.5320 4.5320 5.9097 5.9097 6.0004 6.0004 6.0982 6.0982 6.8074 6.8074 7.3186 7.3186 9.7136 9.7136 k = 0.0623-0.1160 0.0000 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0290 -37.0290 -36.0763 -36.0763 -36.0311 -36.0311 -7.8677 -7.8677 -7.1277 -7.1277 0.7236 0.7236 2.5976 2.5976 3.1017 3.1017 3.2292 3.2292 4.1888 4.1888 4.5631 4.5631 5.8957 5.8957 5.9836 5.9836 6.0825 6.0825 6.8189 6.8189 7.3362 7.3362 9.6182 9.6182 k = 0.0560-0.1044 0.0000 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0289 -37.0289 -36.0763 -36.0763 -36.0310 -36.0310 -7.8813 -7.8813 -7.1334 -7.1334 0.7043 0.7043 2.6265 2.6265 3.1207 3.1207 3.2778 3.2778 4.2541 4.2541 4.5914 4.5914 5.8806 5.8806 5.9690 5.9690 6.0704 6.0704 6.8297 6.8297 7.3580 7.3580 9.5270 9.5270 k = 0.0498-0.0928 0.0000 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0289 -37.0289 -36.0763 -36.0763 -36.0309 -36.0309 -7.8936 -7.8936 -7.1387 -7.1387 0.6869 0.6869 2.6519 2.6519 3.1360 3.1360 3.3238 3.3238 4.3198 4.3198 4.6169 4.6169 5.8634 5.8634 5.9540 5.9540 6.0595 6.0595 6.8402 6.8402 7.3828 7.3828 9.4411 9.4411 k = 0.0436-0.0812 0.0000 ( 8083 PWs) bands (ev): -64.9390 -64.9390 -37.0288 -37.0288 -36.0762 -36.0762 -36.0308 -36.0308 -7.9045 -7.9045 -7.1433 -7.1433 0.6714 0.6714 2.6740 2.6740 3.1501 3.1501 3.3644 3.3644 4.3847 4.3847 4.6397 4.6397 5.8446 5.8446 5.9400 5.9400 6.0509 6.0509 6.8490 6.8490 7.4113 7.4113 9.3618 9.3618 k = 0.0374-0.0696 0.0000 ( 8083 PWs) bands (ev): -64.9390 -64.9390 -37.0288 -37.0288 -36.0762 -36.0762 -36.0307 -36.0307 -7.9141 -7.9141 -7.1474 -7.1474 0.6579 0.6579 2.6924 2.6924 3.1636 3.1636 3.3986 3.3986 4.4474 4.4474 4.6596 4.6596 5.8244 5.8244 5.9264 5.9264 6.0430 6.0430 6.8574 6.8574 7.4391 7.4391 9.2902 9.2902 k = 0.0311-0.0580 0.0000 ( 8087 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0762 -36.0762 -36.0308 -36.0308 -7.9222 -7.9222 -7.1510 -7.1510 0.6464 0.6464 2.7074 2.7074 3.1762 3.1762 3.4264 3.4264 4.5060 4.5060 4.6767 4.6767 5.8030 5.8030 5.9136 5.9136 6.0374 6.0374 6.8636 6.8636 7.4661 7.4661 9.2274 9.2274 k = 0.0249-0.0464 0.0000 ( 8095 PWs) bands (ev): -64.9396 -64.9396 -37.0289 -37.0289 -36.0763 -36.0763 -36.0308 -36.0308 -7.9288 -7.9288 -7.1539 -7.1539 0.6370 0.6370 2.7192 2.7192 3.1875 3.1875 3.4481 3.4481 4.5584 4.5584 4.6910 4.6910 5.7821 5.7821 5.9017 5.9017 6.0333 6.0333 6.8683 6.8683 7.4906 7.4906 9.1744 9.1744 k = 0.0187-0.0348 0.0000 ( 8097 PWs) bands (ev): -64.9397 -64.9397 -37.0289 -37.0289 -36.0763 -36.0763 -36.0308 -36.0308 -7.9340 -7.9340 -7.1561 -7.1561 0.6296 0.6296 2.7280 2.7280 3.1972 3.1972 3.4642 3.4642 4.6024 4.6024 4.7025 4.7025 5.7640 5.7640 5.8936 5.8936 6.0305 6.0305 6.8723 6.8723 7.5109 7.5109 9.1322 9.1322 k = 0.0125-0.0232 0.0000 ( 8087 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0763 -36.0763 -36.0306 -36.0306 -7.9377 -7.9377 -7.1577 -7.1577 0.6243 0.6243 2.7343 2.7343 3.2049 3.2049 3.4752 3.4752 4.6355 4.6355 4.7113 4.7113 5.7502 5.7502 5.8887 5.8887 6.0291 6.0291 6.8761 6.8761 7.5278 7.5278 9.1016 9.1016 k = 0.0062-0.0116 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0287 -37.0287 -36.0762 -36.0762 -36.0306 -36.0306 -7.9400 -7.9400 -7.1587 -7.1587 0.6211 0.6211 2.7381 2.7381 3.2098 3.2098 3.4815 3.4815 4.6558 4.6558 4.7171 4.7171 5.7412 5.7412 5.8853 5.8853 6.0282 6.0282 6.8787 6.8787 7.5387 7.5387 9.0830 9.0830 k = 0.0000 0.0000 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0287 -37.0287 -36.0762 -36.0762 -36.0305 -36.0305 -7.9407 -7.9407 -7.1591 -7.1591 0.6200 0.6200 2.7393 2.7393 3.2114 3.2114 3.4836 3.4836 4.6626 4.6626 4.7192 4.7192 5.7378 5.7378 5.8845 5.8845 6.0275 6.0275 6.8794 6.8794 7.5422 7.5422 9.0766 9.0766 k = 0.0000 0.0000 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0287 -37.0287 -36.0762 -36.0762 -36.0305 -36.0305 -7.9407 -7.9407 -7.1591 -7.1591 0.6200 0.6200 2.7393 2.7393 3.2114 3.2114 3.4836 3.4836 4.6626 4.6626 4.7192 4.7192 5.7378 5.7378 5.8845 5.8845 6.0275 6.0275 6.8794 6.8794 7.5422 7.5422 9.0766 9.0766 k = 0.0109-0.0072-0.0027 ( 8084 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9400 -7.9400 -7.1588 -7.1588 0.6212 0.6212 2.7380 2.7380 3.2096 3.2096 3.4817 3.4817 4.6566 4.6566 4.7163 4.7163 5.7404 5.7404 5.8851 5.8851 6.0283 6.0283 6.8780 6.8780 7.5392 7.5392 9.0829 9.0829 k = 0.0217-0.0144-0.0055 ( 8086 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9378 -7.9378 -7.1580 -7.1580 0.6247 0.6247 2.7342 2.7342 3.2042 3.2042 3.4759 3.4759 4.6387 4.6387 4.7085 4.7085 5.7482 5.7482 5.8883 5.8883 6.0305 6.0305 6.8752 6.8752 7.5305 7.5305 9.1016 9.1016 k = 0.0326-0.0216-0.0082 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9341 -7.9341 -7.1567 -7.1567 0.6304 0.6304 2.7277 2.7277 3.1955 3.1955 3.4660 3.4660 4.6087 4.6087 4.6969 4.6969 5.7605 5.7605 5.8931 5.8931 6.0348 6.0348 6.8703 6.8703 7.5167 7.5167 9.1324 9.1324 k = 0.0435-0.0288-0.0110 ( 8090 PWs) bands (ev): -64.9393 -64.9393 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9289 -7.9289 -7.1549 -7.1549 0.6385 0.6385 2.7186 2.7186 3.1839 3.1839 3.4516 3.4516 4.5677 4.5677 4.6820 4.6820 5.7763 5.7763 5.8992 5.8992 6.0416 6.0416 6.8641 6.8641 7.4983 7.4983 9.1749 9.1749 k = 0.0543-0.0360-0.0137 ( 8088 PWs) bands (ev): -64.9392 -64.9392 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9223 -7.9223 -7.1526 -7.1526 0.6488 0.6488 2.7067 2.7067 3.1699 3.1699 3.4326 3.4326 4.5178 4.5178 4.6644 4.6644 5.7958 5.7958 5.9057 5.9057 6.0507 6.0507 6.8566 6.8566 7.4764 7.4764 9.2283 9.2283 k = 0.0652-0.0433-0.0165 ( 8091 PWs) bands (ev): -64.9394 -64.9394 -37.0289 -37.0289 -36.0763 -36.0763 -36.0308 -36.0308 -7.9143 -7.9143 -7.1498 -7.1498 0.6614 0.6614 2.6916 2.6916 3.1538 3.1538 3.4084 3.4084 4.4607 4.4607 4.6439 4.6439 5.8171 5.8171 5.9113 5.9113 6.0625 6.0625 6.8468 6.8468 7.4517 7.4517 9.2919 9.2919 k = 0.0761-0.0505-0.0192 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0308 -36.0308 -7.9048 -7.9048 -7.1466 -7.1466 0.6761 0.6761 2.6736 2.6736 3.1362 3.1362 3.3791 3.3791 4.3986 4.3986 4.6208 4.6208 5.8394 5.8394 5.9177 5.9177 6.0766 6.0766 6.8370 6.8370 7.4260 7.4260 9.3648 9.3648 k = 0.0870-0.0577-0.0220 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0288 -37.0288 -36.0762 -36.0762 -36.0308 -36.0308 -7.8940 -7.8940 -7.1428 -7.1428 0.6930 0.6930 2.6524 2.6524 3.1172 3.1172 3.3445 3.3445 4.3331 4.3331 4.5953 4.5953 5.8605 5.8605 5.9252 5.9252 6.0930 6.0930 6.8265 6.8265 7.4001 7.4001 9.4461 9.4461 k = 0.0978-0.0649-0.0247 ( 8080 PWs) bands (ev): -64.9389 -64.9389 -37.0289 -37.0289 -36.0762 -36.0762 -36.0309 -36.0309 -7.8818 -7.8818 -7.1387 -7.1387 0.7120 0.7120 2.6275 2.6275 3.0964 3.0964 3.3051 3.3051 4.2658 4.2658 4.5673 4.5673 5.8770 5.8770 5.9351 5.9351 6.1099 6.1099 6.8145 6.8145 7.3725 7.3725 9.5343 9.5343 k = 0.1087-0.0721-0.0275 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0289 -37.0289 -36.0762 -36.0762 -36.0309 -36.0309 -7.8683 -7.8683 -7.1341 -7.1341 0.7331 0.7331 2.5995 2.5995 3.0733 3.0733 3.2618 3.2618 4.1980 4.1980 4.5372 4.5372 5.8873 5.8873 5.9515 5.9515 6.1281 6.1281 6.8032 6.8032 7.3465 7.3465 9.6283 9.6283 k = 0.1196-0.0793-0.0302 ( 8071 PWs) bands (ev): -64.9384 -64.9384 -37.0289 -37.0289 -36.0761 -36.0761 -36.0310 -36.0310 -7.8535 -7.8535 -7.1291 -7.1291 0.7560 0.7560 2.5681 2.5681 3.0462 3.0462 3.2169 3.2169 4.1306 4.1306 4.5049 4.5049 5.8916 5.8916 5.9724 5.9724 6.1468 6.1468 6.7924 6.7924 7.3218 7.3218 9.7268 9.7268 k = 0.1304-0.0865-0.0330 ( 8077 PWs) bands (ev): -64.9387 -64.9387 -37.0289 -37.0289 -36.0762 -36.0762 -36.0311 -36.0311 -7.8374 -7.8374 -7.1237 -7.1237 0.7809 0.7809 2.5334 2.5334 3.0119 3.0119 3.1738 3.1738 4.0645 4.0645 4.4705 4.4705 5.8907 5.8907 5.9951 5.9951 6.1649 6.1649 6.7810 6.7810 7.2983 7.2983 9.8282 9.8282 k = 0.1413-0.0937-0.0357 ( 8079 PWs) bands (ev): -64.9388 -64.9388 -37.0290 -37.0290 -36.0762 -36.0762 -36.0312 -36.0312 -7.8201 -7.8201 -7.1180 -7.1180 0.8075 0.8075 2.4957 2.4957 2.9672 2.9672 3.1367 3.1367 4.0002 4.0002 4.4342 4.4342 5.8883 5.8883 6.0193 6.0193 6.1825 6.1825 6.7713 6.7713 7.2765 7.2765 9.9304 9.9304 k = 0.1522-0.1009-0.0384 ( 8080 PWs) bands (ev): -64.9389 -64.9389 -37.0290 -37.0290 -36.0763 -36.0763 -36.0313 -36.0313 -7.8017 -7.8017 -7.1120 -7.1120 0.8358 0.8358 2.4550 2.4550 2.9106 2.9106 3.1075 3.1075 3.9379 3.9379 4.3961 4.3961 5.8845 5.8845 6.0439 6.0439 6.1990 6.1990 6.7630 6.7630 7.2567 7.2567 10.0298 10.0298 k = 0.1630-0.1081-0.0412 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0290 -37.0290 -36.0762 -36.0762 -36.0313 -36.0313 -7.7822 -7.7822 -7.1057 -7.1057 0.8656 0.8656 2.4117 2.4117 2.8442 2.8442 3.0853 3.0853 3.8778 3.8778 4.3562 4.3562 5.8801 5.8801 6.0686 6.0686 6.2155 6.2155 6.7555 6.7555 7.2401 7.2401 10.1129 10.1129 k = 0.1739-0.1154-0.0439 ( 8075 PWs) bands (ev): -64.9386 -64.9386 -37.0291 -37.0291 -36.0763 -36.0763 -36.0314 -36.0314 -7.7616 -7.7616 -7.0992 -7.0992 0.8968 0.8968 2.3656 2.3656 2.7712 2.7712 3.0679 3.0679 3.8198 3.8198 4.3148 4.3148 5.8747 5.8747 6.0922 6.0922 6.2301 6.2301 6.7500 6.7500 7.2257 7.2257 10.1553 10.1553 k = 0.1848-0.1226-0.0467 ( 8080 PWs) bands (ev): -64.9389 -64.9389 -37.0292 -37.0292 -36.0763 -36.0763 -36.0316 -36.0316 -7.7401 -7.7401 -7.0924 -7.0924 0.9291 0.9291 2.3167 2.3167 2.6943 2.6943 3.0535 3.0535 3.7639 3.7639 4.2718 4.2718 5.8683 5.8683 6.1133 6.1133 6.2433 6.2433 6.7456 6.7456 7.2138 7.2138 10.1690 10.1690 k = 0.1957-0.1298-0.0494 ( 8083 PWs) bands (ev): -64.9390 -64.9390 -37.0292 -37.0292 -36.0763 -36.0763 -36.0317 -36.0317 -7.7176 -7.7176 -7.0855 -7.0855 0.9624 0.9624 2.2650 2.2650 2.6159 2.6159 3.0413 3.0413 3.7099 3.7099 4.2277 4.2277 5.8613 5.8613 6.1337 6.1337 6.2556 6.2556 6.7432 6.7432 7.2042 7.2042 10.1674 10.1674 k = 0.2065-0.1370-0.0522 ( 8078 PWs) bands (ev): -64.9388 -64.9388 -37.0292 -37.0292 -36.0763 -36.0763 -36.0318 -36.0318 -7.6943 -7.6943 -7.0784 -7.0784 0.9964 0.9964 2.2102 2.2102 2.5381 2.5381 3.0307 3.0307 3.6578 3.6578 4.1825 4.1825 5.8546 5.8546 6.1534 6.1534 6.2672 6.2672 6.7433 6.7433 7.1975 7.1975 10.1545 10.1545 k = 0.2174-0.1442-0.0549 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0293 -37.0293 -36.0763 -36.0763 -36.0319 -36.0319 -7.6702 -7.6702 -7.0713 -7.0713 1.0307 1.0307 2.1519 2.1519 2.4627 2.4627 3.0211 3.0211 3.6073 3.6073 4.1365 4.1365 5.8477 5.8477 6.1709 6.1709 6.2773 6.2773 6.7447 6.7447 7.1926 7.1926 10.1331 10.1331 k = 0.2283-0.1514-0.0577 ( 8079 PWs) bands (ev): -64.9388 -64.9388 -37.0293 -37.0293 -36.0763 -36.0763 -36.0320 -36.0320 -7.6454 -7.6454 -7.0642 -7.0642 1.0649 1.0649 2.0899 2.0899 2.3914 2.3914 3.0121 3.0121 3.5584 3.5584 4.0900 4.0900 5.8401 5.8401 6.1858 6.1858 6.2860 6.2860 6.7475 6.7475 7.1898 7.1898 10.1054 10.1054 k = 0.2391-0.1586-0.0604 ( 8078 PWs) bands (ev): -64.9388 -64.9388 -37.0294 -37.0294 -36.0763 -36.0763 -36.0321 -36.0321 -7.6200 -7.6200 -7.0570 -7.0570 1.0986 1.0986 2.0243 2.0243 2.3255 2.3255 3.0037 3.0037 3.5111 3.5111 4.0432 4.0432 5.8324 5.8324 6.1995 6.1995 6.2944 6.2944 6.7517 6.7517 7.1891 7.1891 10.0733 10.0733 k = 0.2500-0.1658-0.0632 ( 8080 PWs) bands (ev): -64.9388 -64.9388 -37.0294 -37.0294 -36.0763 -36.0763 -36.0323 -36.0323 -7.5941 -7.5941 -7.0500 -7.0500 1.1309 1.1309 1.9557 1.9557 2.2657 2.2657 2.9956 2.9956 3.4653 3.4653 3.9962 3.9962 5.8245 5.8245 6.2103 6.2103 6.3018 6.3018 6.7576 6.7576 7.1896 7.1896 10.0386 10.0386 k = 0.2609-0.1730-0.0659 ( 8087 PWs) bands (ev): -64.9392 -64.9392 -37.0295 -37.0295 -36.0764 -36.0764 -36.0325 -36.0325 -7.5678 -7.5678 -7.0430 -7.0430 1.1609 1.1609 1.8854 1.8854 2.2124 2.2124 2.9877 2.9877 3.4210 3.4210 3.9495 3.9495 5.8156 5.8156 6.2180 6.2180 6.3083 6.3083 6.7646 6.7646 7.1918 7.1918 10.0026 10.0026 k = 0.2717-0.1802-0.0687 ( 8087 PWs) bands (ev): -64.9392 -64.9392 -37.0296 -37.0296 -36.0764 -36.0764 -36.0326 -36.0326 -7.5411 -7.5411 -7.0363 -7.0363 1.1874 1.1874 1.8151 1.8151 2.1658 2.1658 2.9798 2.9798 3.3783 3.3783 3.9033 3.9033 5.8075 5.8075 6.2246 6.2246 6.3146 6.3146 6.7727 6.7727 7.1960 7.1960 9.9665 9.9665 k = 0.2826-0.1875-0.0714 ( 8079 PWs) bands (ev): -64.9388 -64.9388 -37.0296 -37.0296 -36.0764 -36.0764 -36.0326 -36.0326 -7.5141 -7.5141 -7.0298 -7.0298 1.2085 1.2085 1.7471 1.7471 2.1258 2.1258 2.9718 2.9718 3.3373 3.3373 3.8578 3.8578 5.8003 5.8003 6.2296 6.2296 6.3212 6.3212 6.7819 6.7819 7.2023 7.2023 9.9311 9.9311 k = 0.2935-0.1947-0.0741 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0296 -37.0296 -36.0764 -36.0764 -36.0327 -36.0327 -7.4870 -7.4870 -7.0236 -7.0236 1.2220 1.2220 1.6840 1.6840 2.0926 2.0926 2.9633 2.9633 3.2980 3.2980 3.8131 3.8131 5.7920 5.7920 6.2318 6.2318 6.3263 6.3263 6.7915 6.7915 7.2087 7.2087 9.8972 9.8972 k = 0.3043-0.2019-0.0769 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0297 -37.0297 -36.0764 -36.0764 -36.0328 -36.0328 -7.4599 -7.4599 -7.0177 -7.0177 1.2249 1.2249 1.6286 1.6286 2.0666 2.0666 2.9541 2.9541 3.2607 3.2607 3.7695 3.7695 5.7835 5.7835 6.2326 6.2326 6.3308 6.3308 6.8015 6.8015 7.2172 7.2172 9.8654 9.8654 k = 0.3152-0.2091-0.0796 ( 8081 PWs) bands (ev): -64.9388 -64.9388 -37.0297 -37.0297 -36.0764 -36.0764 -36.0330 -36.0330 -7.4328 -7.4328 -7.0123 -7.0123 1.2144 1.2144 1.5834 1.5834 2.0482 2.0482 2.9441 2.9441 3.2256 3.2256 3.7273 3.7273 5.7759 5.7759 6.2324 6.2324 6.3335 6.3335 6.8118 6.8118 7.2263 7.2263 9.8359 9.8359 k = 0.3261-0.2163-0.0824 ( 8079 PWs) bands (ev): -64.9387 -64.9387 -37.0298 -37.0298 -36.0764 -36.0764 -36.0331 -36.0331 -7.4059 -7.4059 -7.0074 -7.0074 1.1898 1.1898 1.5492 1.5492 2.0381 2.0381 2.9328 2.9328 3.1930 3.1930 3.6865 3.6865 5.7682 5.7682 6.2314 6.2314 6.3352 6.3352 6.8227 6.8227 7.2366 7.2366 9.8091 9.8091 k = 0.3370-0.2235-0.0851 ( 8082 PWs) bands (ev): -64.9389 -64.9389 -37.0298 -37.0298 -36.0765 -36.0765 -36.0332 -36.0332 -7.3793 -7.3793 -7.0030 -7.0030 1.1530 1.1530 1.5241 1.5241 2.0363 2.0363 2.9198 2.9198 3.1632 3.1632 3.6473 3.6473 5.7604 5.7604 6.2294 6.2294 6.3351 6.3351 6.8330 6.8330 7.2475 7.2475 9.7852 9.7852 k = 0.3478-0.2307-0.0879 ( 8080 PWs) bands (ev): -64.9388 -64.9388 -37.0299 -37.0299 -36.0765 -36.0765 -36.0333 -36.0333 -7.3531 -7.3531 -6.9992 -6.9992 1.1079 1.1079 1.5046 1.5046 2.0428 2.0428 2.9048 2.9048 3.1366 3.1366 3.6100 3.6100 5.7530 5.7530 6.2272 6.2272 6.3337 6.3337 6.8436 6.8436 7.2601 7.2601 9.7644 9.7644 k = 0.3587-0.2379-0.0906 ( 8076 PWs) bands (ev): -64.9386 -64.9386 -37.0299 -37.0299 -36.0764 -36.0764 -36.0333 -36.0333 -7.3274 -7.3274 -6.9961 -6.9961 1.0583 1.0583 1.4877 1.4877 2.0567 2.0567 2.8874 2.8874 3.1134 3.1134 3.5746 3.5746 5.7462 5.7462 6.2250 6.2250 6.3311 6.3311 6.8542 6.8542 7.2733 7.2733 9.7468 9.7468 k = 0.3696-0.2451-0.0934 ( 8079 PWs) bands (ev): -64.9387 -64.9387 -37.0299 -37.0299 -36.0765 -36.0765 -36.0334 -36.0334 -7.3023 -7.3023 -6.9936 -6.9936 1.0074 1.0074 1.4716 1.4716 2.0771 2.0771 2.8675 2.8675 3.0937 3.0937 3.5411 3.5411 5.7401 5.7401 6.2214 6.2214 6.3256 6.3256 6.8638 6.8638 7.2871 7.2871 9.7323 9.7323 k = 0.3804-0.2523-0.0961 ( 8077 PWs) bands (ev): -64.9386 -64.9386 -37.0299 -37.0299 -36.0765 -36.0765 -36.0335 -36.0335 -7.2779 -7.2779 -6.9920 -6.9920 0.9571 0.9571 1.4556 1.4556 2.1028 2.1028 2.8452 2.8452 3.0775 3.0775 3.5099 3.5099 5.7342 5.7342 6.2184 6.2184 6.3201 6.3201 6.8737 6.8737 7.3010 7.3010 9.7210 9.7210 k = 0.3913-0.2596-0.0989 ( 8077 PWs) bands (ev): -64.9386 -64.9386 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.2544 -7.2544 -6.9911 -6.9911 0.9087 0.9087 1.4396 1.4396 2.1326 2.1326 2.8205 2.8205 3.0643 3.0643 3.4809 3.4809 5.7285 5.7285 6.2156 6.2156 6.3137 6.3137 6.8825 6.8825 7.3149 7.3149 9.7128 9.7128 k = 0.4022-0.2668-0.1016 ( 8078 PWs) bands (ev): -64.9386 -64.9386 -37.0300 -37.0300 -36.0765 -36.0765 -36.0336 -36.0336 -7.2318 -7.2318 -6.9911 -6.9911 0.8633 0.8633 1.4239 1.4239 2.1656 2.1656 2.7939 2.7939 3.0538 3.0538 3.4543 3.4543 5.7231 5.7231 6.2124 6.2124 6.3066 6.3066 6.8907 6.8907 7.3290 7.3290 9.7077 9.7077 k = 0.4130-0.2740-0.1044 ( 8076 PWs) bands (ev): -64.9385 -64.9385 -37.0300 -37.0300 -36.0765 -36.0765 -36.0337 -36.0337 -7.2104 -7.2104 -6.9919 -6.9919 0.8215 0.8215 1.4088 1.4088 2.2007 2.2007 2.7658 2.7658 3.0455 3.0455 3.4302 3.4302 5.7179 5.7179 6.2102 6.2102 6.2990 6.2990 6.8987 6.8987 7.3432 7.3432 9.7057 9.7057 k = 0.4239-0.2812-0.1071 ( 8076 PWs) bands (ev): -64.9385 -64.9385 -37.0300 -37.0300 -36.0765 -36.0765 -36.0338 -36.0338 -7.1902 -7.1902 -6.9936 -6.9936 0.7837 0.7837 1.3947 1.3947 2.2373 2.2373 2.7363 2.7363 3.0390 3.0390 3.4086 3.4086 5.7135 5.7135 6.2074 6.2074 6.2911 6.2911 6.9056 6.9056 7.3569 7.3569 9.7065 9.7065 k = 0.4348-0.2884-0.1098 ( 8075 PWs) bands (ev): -64.9384 -64.9384 -37.0301 -37.0301 -36.0765 -36.0765 -36.0338 -36.0338 -7.1714 -7.1714 -6.9960 -6.9960 0.7505 0.7505 1.3819 1.3819 2.2747 2.2747 2.7058 2.7058 3.0340 3.0340 3.3897 3.3897 5.7098 5.7098 6.2053 6.2053 6.2841 6.2841 6.9116 6.9116 7.3688 7.3688 9.7101 9.7101 k = 0.4457-0.2956-0.1126 ( 8085 PWs) bands (ev): -64.9389 -64.9389 -37.0301 -37.0301 -36.0765 -36.0765 -36.0339 -36.0339 -7.1543 -7.1543 -6.9992 -6.9992 0.7218 0.7218 1.3707 1.3707 2.3125 2.3125 2.6744 2.6744 3.0301 3.0301 3.3734 3.3734 5.7055 5.7055 6.2025 6.2025 6.2767 6.2767 6.9162 6.9162 7.3785 7.3785 9.7157 9.7157 k = 0.4565-0.3028-0.1153 ( 8081 PWs) bands (ev): -64.9387 -64.9387 -37.0301 -37.0301 -36.0765 -36.0765 -36.0340 -36.0340 -7.1391 -7.1391 -7.0028 -7.0028 0.6982 0.6982 1.3612 1.3612 2.3501 2.3501 2.6423 2.6423 3.0272 3.0272 3.3601 3.3601 5.7030 5.7030 6.2009 6.2009 6.2720 6.2720 6.9210 6.9210 7.3875 7.3875 9.7235 9.7235 k = 0.4674-0.3100-0.1181 ( 8079 PWs) bands (ev): -64.9386 -64.9386 -37.0301 -37.0301 -36.0765 -36.0765 -36.0340 -36.0340 -7.1261 -7.1261 -7.0066 -7.0066 0.6797 0.6797 1.3537 1.3537 2.3873 2.3873 2.6097 2.6097 3.0252 3.0252 3.3496 3.3496 5.7012 5.7012 6.1990 6.1990 6.2675 6.2675 6.9244 6.9244 7.3957 7.3957 9.7321 9.7321 k = 0.4783-0.3172-0.1208 ( 8076 PWs) bands (ev): -64.9385 -64.9385 -37.0301 -37.0301 -36.0765 -36.0765 -36.0340 -36.0340 -7.1161 -7.1161 -7.0101 -7.0101 0.6664 0.6664 1.3483 1.3483 2.4234 2.4234 2.5772 2.5772 3.0239 3.0239 3.3420 3.3420 5.6994 5.6994 6.1983 6.1983 6.2639 6.2639 6.9277 6.9277 7.4017 7.4017 9.7402 9.7402 k = 0.4891-0.3244-0.1236 ( 8084 PWs) bands (ev): -64.9388 -64.9388 -37.0302 -37.0302 -36.0765 -36.0765 -36.0340 -36.0340 -7.1096 -7.1096 -7.0127 -7.0127 0.6583 0.6583 1.3449 1.3449 2.4564 2.4564 2.5463 2.5463 3.0231 3.0231 3.3375 3.3375 5.6978 5.6978 6.1969 6.1969 6.2604 6.2604 6.9288 6.9288 7.4048 7.4048 9.7460 9.7460 k = 0.5000-0.3317-0.1263 ( 8084 PWs) bands (ev): -64.9388 -64.9388 -37.0302 -37.0302 -36.0765 -36.0765 -36.0340 -36.0340 -7.1073 -7.1073 -7.0137 -7.0137 0.6556 0.6556 1.3438 1.3438 2.4748 2.4748 2.5285 2.5285 3.0228 3.0228 3.3360 3.3360 5.6972 5.6972 6.1971 6.1971 6.2601 6.2601 6.9292 6.9292 7.4056 7.4056 9.7482 9.7482 k = 0.5000-0.3317 0.1833 ( 8096 PWs) bands (ev): -64.9395 -64.9395 -37.0303 -37.0303 -36.0767 -36.0767 -36.0341 -36.0341 -7.1680 -7.1680 -6.9440 -6.9440 0.4531 0.4531 1.1288 1.1288 2.5603 2.5603 2.8476 2.8476 3.3480 3.3480 3.3940 3.3940 5.5787 5.5787 6.1995 6.1995 6.2627 6.2627 7.0614 7.0614 7.7484 7.7484 8.6418 8.6418 k = 0.4896-0.3247 0.1795 ( 8098 PWs) bands (ev): -64.9396 -64.9396 -37.0303 -37.0303 -36.0767 -36.0767 -36.0341 -36.0341 -7.1690 -7.1690 -6.9443 -6.9443 0.4559 0.4559 1.1295 1.1295 2.5591 2.5591 2.8487 2.8487 3.3434 3.3434 3.3986 3.3986 5.5791 5.5791 6.1992 6.1992 6.2631 6.2631 7.0608 7.0608 7.7472 7.7472 8.6447 8.6447 k = 0.4792-0.3178 0.1757 ( 8103 PWs) bands (ev): -64.9399 -64.9399 -37.0303 -37.0303 -36.0767 -36.0767 -36.0341 -36.0341 -7.1721 -7.1721 -6.9449 -6.9449 0.4642 0.4642 1.1315 1.1315 2.5554 2.5554 2.8519 2.8519 3.3326 3.3326 3.4094 3.4094 5.5813 5.5813 6.1986 6.1986 6.2630 6.2630 7.0590 7.0590 7.7441 7.7441 8.6533 8.6533 k = 0.4688-0.3109 0.1719 ( 8109 PWs) bands (ev): -64.9401 -64.9401 -37.0303 -37.0303 -36.0768 -36.0768 -36.0342 -36.0342 -7.1772 -7.1772 -6.9459 -6.9459 0.4781 0.4781 1.1348 1.1348 2.5494 2.5494 2.8571 2.8571 3.3194 3.3194 3.4230 3.4230 5.5854 5.5854 6.1973 6.1973 6.2636 6.2636 7.0561 7.0561 7.7386 7.7386 8.6676 8.6676 k = 0.4583-0.3040 0.1681 ( 8111 PWs) bands (ev): -64.9402 -64.9402 -37.0303 -37.0303 -36.0768 -36.0768 -36.0342 -36.0342 -7.1843 -7.1843 -6.9474 -6.9474 0.4974 0.4974 1.1393 1.1393 2.5412 2.5412 2.8642 2.8642 3.3051 3.3051 3.4381 3.4381 5.5912 5.5912 6.1969 6.1969 6.2651 6.2651 7.0527 7.0527 7.7310 7.7310 8.6875 8.6875 k = 0.4479-0.2971 0.1642 ( 8105 PWs) bands (ev): -64.9400 -64.9400 -37.0303 -37.0303 -36.0767 -36.0767 -36.0341 -36.0341 -7.1934 -7.1934 -6.9494 -6.9494 0.5222 0.5222 1.1450 1.1450 2.5310 2.5310 2.8728 2.8728 3.2906 3.2906 3.4546 3.4546 5.5994 5.5994 6.1977 6.1977 6.2676 6.2676 7.0484 7.0484 7.7216 7.7216 8.7132 8.7132 k = 0.4375-0.2902 0.1604 ( 8107 PWs) bands (ev): -64.9400 -64.9400 -37.0303 -37.0303 -36.0768 -36.0768 -36.0341 -36.0341 -7.2043 -7.2043 -6.9517 -6.9517 0.5522 0.5522 1.1518 1.1518 2.5188 2.5188 2.8826 2.8826 3.2765 3.2765 3.4722 3.4722 5.6079 5.6079 6.1982 6.1982 6.2697 6.2697 7.0427 7.0427 7.7095 7.7095 8.7442 8.7442 k = 0.4271-0.2833 0.1566 ( 8103 PWs) bands (ev): -64.9398 -64.9398 -37.0302 -37.0302 -36.0767 -36.0767 -36.0340 -36.0340 -7.2169 -7.2169 -6.9545 -6.9545 0.5875 0.5875 1.1595 1.1595 2.5050 2.5050 2.8933 2.8933 3.2632 3.2632 3.4912 3.4912 5.6180 5.6180 6.1986 6.1986 6.2728 6.2728 7.0367 7.0367 7.6961 7.6961 8.7806 8.7806 k = 0.4167-0.2764 0.1528 ( 8097 PWs) bands (ev): -64.9396 -64.9396 -37.0302 -37.0302 -36.0767 -36.0767 -36.0339 -36.0339 -7.2312 -7.2312 -6.9578 -6.9578 0.6276 0.6276 1.1679 1.1679 2.4898 2.4898 2.9046 2.9046 3.2514 3.2514 3.5116 3.5116 5.6290 5.6290 6.1998 6.1998 6.2753 6.2753 7.0298 7.0298 7.6813 7.6813 8.8220 8.8220 k = 0.4062-0.2695 0.1490 ( 8087 PWs) bands (ev): -64.9391 -64.9391 -37.0301 -37.0301 -36.0766 -36.0766 -36.0337 -36.0337 -7.2471 -7.2471 -6.9615 -6.9615 0.6725 0.6725 1.1770 1.1770 2.4733 2.4733 2.9160 2.9160 3.2417 3.2417 3.5337 3.5337 5.6405 5.6405 6.2014 6.2014 6.2779 6.2779 7.0226 7.0226 7.6658 7.6658 8.8683 8.8683 k = 0.3958-0.2626 0.1451 ( 8088 PWs) bands (ev): -64.9391 -64.9391 -37.0301 -37.0301 -36.0766 -36.0766 -36.0337 -36.0337 -7.2644 -7.2644 -6.9655 -6.9655 0.7219 0.7219 1.1866 1.1866 2.4560 2.4560 2.9270 2.9270 3.2348 3.2348 3.5571 3.5571 5.6527 5.6527 6.2020 6.2020 6.2789 6.2789 7.0128 7.0128 7.6478 7.6478 8.9190 8.9190 k = 0.3854-0.2557 0.1413 ( 8090 PWs) bands (ev): -64.9392 -64.9392 -37.0301 -37.0301 -36.0766 -36.0766 -36.0336 -36.0336 -7.2830 -7.2830 -6.9700 -6.9700 0.7754 0.7754 1.1965 1.1965 2.4381 2.4381 2.9372 2.9372 3.2313 3.2313 3.5821 3.5821 5.6642 5.6642 6.2029 6.2029 6.2794 6.2794 7.0027 7.0027 7.6288 7.6288 8.9739 8.9739 k = 0.3750-0.2487 0.1375 ( 8086 PWs) bands (ev): -64.9390 -64.9390 -37.0300 -37.0300 -36.0765 -36.0765 -36.0335 -36.0335 -7.3029 -7.3029 -6.9749 -6.9749 0.8325 0.8325 1.2068 1.2068 2.4202 2.4202 2.9462 2.9462 3.2317 3.2317 3.6087 3.6087 5.6772 5.6772 6.2039 6.2039 6.2806 6.2806 6.9917 6.9917 7.6088 7.6088 9.0327 9.0327 k = 0.3646-0.2418 0.1337 ( 8087 PWs) bands (ev): -64.9391 -64.9391 -37.0300 -37.0300 -36.0766 -36.0766 -36.0334 -36.0334 -7.3238 -7.3238 -6.9801 -6.9801 0.8926 0.8926 1.2175 1.2175 2.4027 2.4027 2.9539 2.9539 3.2365 3.2365 3.6368 3.6368 5.6896 5.6896 6.2048 6.2048 6.2806 6.2806 6.9796 6.9796 7.5872 7.5872 9.0948 9.0948 k = 0.3542-0.2349 0.1299 ( 8091 PWs) bands (ev): -64.9393 -64.9393 -37.0300 -37.0300 -36.0766 -36.0766 -36.0334 -36.0334 -7.3457 -7.3457 -6.9857 -6.9857 0.9541 0.9541 1.2295 1.2295 2.3862 2.3862 2.9601 2.9601 3.2456 3.2456 3.6665 3.6665 5.7019 5.7019 6.2053 6.2053 6.2795 6.2795 6.9666 6.9666 7.5650 7.5650 9.1599 9.1599 k = 0.3438-0.2280 0.1260 ( 8089 PWs) bands (ev): -64.9392 -64.9392 -37.0299 -37.0299 -36.0765 -36.0765 -36.0333 -36.0333 -7.3685 -7.3685 -6.9916 -6.9916 1.0148 1.0148 1.2444 1.2444 2.3713 2.3713 2.9649 2.9649 3.2591 3.2591 3.6976 3.6976 5.7146 5.7146 6.2060 6.2060 6.2790 6.2790 6.9535 6.9535 7.5420 7.5420 9.2277 9.2277 k = 0.3333-0.2211 0.1222 ( 8086 PWs) bands (ev): -64.9391 -64.9391 -37.0298 -37.0298 -36.0765 -36.0765 -36.0331 -36.0331 -7.3919 -7.3919 -6.9977 -6.9977 1.0698 1.0698 1.2664 1.2664 2.3587 2.3587 2.9688 2.9688 3.2767 3.2767 3.7303 3.7303 5.7267 5.7267 6.2073 6.2073 6.2779 6.2779 6.9401 6.9401 7.5189 7.5189 9.2974 9.2974 k = 0.3229-0.2142 0.1184 ( 8079 PWs) bands (ev): -64.9387 -64.9387 -37.0298 -37.0298 -36.0765 -36.0765 -36.0330 -36.0330 -7.4160 -7.4160 -7.0041 -7.0041 1.1119 1.1119 1.3022 1.3022 2.3490 2.3490 2.9720 2.9720 3.2979 3.2979 3.7643 3.7643 5.7397 5.7397 6.2080 6.2080 6.2764 6.2764 6.9268 6.9268 7.4956 7.4956 9.3689 9.3689 k = 0.3125-0.2073 0.1146 ( 8080 PWs) bands (ev): -64.9388 -64.9388 -37.0297 -37.0297 -36.0764 -36.0764 -36.0329 -36.0329 -7.4405 -7.4405 -7.0107 -7.0107 1.1363 1.1363 1.3558 1.3558 2.3428 2.3428 2.9747 2.9747 3.3223 3.3223 3.7996 3.7996 5.7520 5.7520 6.2067 6.2067 6.2736 6.2736 6.9125 6.9125 7.4725 7.4725 9.4413 9.4413 k = 0.3021-0.2004 0.1108 ( 8080 PWs) bands (ev): -64.9388 -64.9388 -37.0297 -37.0297 -36.0764 -36.0764 -36.0328 -36.0328 -7.4654 -7.4654 -7.0175 -7.0175 1.1456 1.1456 1.4241 1.4241 2.3405 2.3405 2.9774 2.9774 3.3494 3.3494 3.8360 3.8360 5.7640 5.7640 6.2054 6.2054 6.2706 6.2706 6.8981 6.8981 7.4494 7.4494 9.5144 9.5144 k = 0.2917-0.1935 0.1069 ( 8075 PWs) bands (ev): -64.9386 -64.9386 -37.0296 -37.0296 -36.0764 -36.0764 -36.0327 -36.0327 -7.4905 -7.4905 -7.0244 -7.0244 1.1448 1.1448 1.5017 1.5017 2.3427 2.3427 2.9803 2.9803 3.3791 3.3791 3.8737 3.8737 5.7748 5.7748 6.2041 6.2041 6.2686 6.2686 6.8843 6.8843 7.4273 7.4273 9.5874 9.5874 k = 0.2812-0.1866 0.1031 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0296 -37.0296 -36.0764 -36.0764 -36.0326 -36.0326 -7.5158 -7.5158 -7.0315 -7.0315 1.1370 1.1370 1.5847 1.5847 2.3496 2.3496 2.9834 2.9834 3.4108 3.4108 3.9122 3.9122 5.7850 5.7850 6.2007 6.2007 6.2658 6.2658 6.8705 6.8705 7.4054 7.4054 9.6599 9.6599 k = 0.2708-0.1796 0.0993 ( 8078 PWs) bands (ev): -64.9388 -64.9388 -37.0295 -37.0295 -36.0764 -36.0764 -36.0325 -36.0325 -7.5410 -7.5410 -7.0386 -7.0386 1.1243 1.1243 1.6708 1.6708 2.3614 2.3614 2.9870 2.9870 3.4446 3.4446 3.9515 3.9515 5.7951 5.7951 6.1961 6.1961 6.2624 6.2624 6.8573 6.8573 7.3841 7.3841 9.7311 9.7311 k = 0.2604-0.1727 0.0955 ( 8076 PWs) bands (ev): -64.9387 -64.9387 -37.0295 -37.0295 -36.0764 -36.0764 -36.0323 -36.0323 -7.5662 -7.5662 -7.0457 -7.0457 1.1075 1.1075 1.7588 1.7588 2.3784 2.3784 2.9913 2.9913 3.4801 3.4801 3.9915 3.9915 5.8057 5.8057 6.1904 6.1904 6.2588 6.2588 6.8450 6.8450 7.3641 7.3641 9.8004 9.8004 k = 0.2500-0.1658 0.0917 ( 8075 PWs) bands (ev): -64.9387 -64.9387 -37.0294 -37.0294 -36.0764 -36.0764 -36.0322 -36.0322 -7.5911 -7.5911 -7.0529 -7.0529 1.0875 1.0875 1.8471 1.8471 2.4009 2.4009 2.9961 2.9961 3.5173 3.5173 4.0320 4.0320 5.8153 5.8153 6.1833 6.1833 6.2548 6.2548 6.8337 6.8337 7.3459 7.3459 9.8667 9.8667 k = 0.2396-0.1589 0.0878 ( 8075 PWs) bands (ev): -64.9387 -64.9387 -37.0294 -37.0294 -36.0764 -36.0764 -36.0321 -36.0321 -7.6158 -7.6158 -7.0601 -7.0601 1.0648 1.0648 1.9346 1.9346 2.4290 2.4290 3.0017 3.0017 3.5561 3.5561 4.0730 4.0730 5.8246 5.8246 6.1745 6.1745 6.2495 6.2495 6.8237 6.8237 7.3298 7.3298 9.9288 9.9288 k = 0.2292-0.1520 0.0840 ( 8082 PWs) bands (ev): -64.9390 -64.9390 -37.0294 -37.0294 -36.0764 -36.0764 -36.0320 -36.0320 -7.6401 -7.6401 -7.0671 -7.0671 1.0401 1.0401 2.0198 2.0198 2.4632 2.4632 3.0079 3.0079 3.5963 3.5963 4.1140 4.1140 5.8331 5.8331 6.1635 6.1635 6.2431 6.2431 6.8140 6.8140 7.3154 7.3154 9.9853 9.9853 k = 0.2188-0.1451 0.0802 ( 8084 PWs) bands (ev): -64.9391 -64.9391 -37.0293 -37.0293 -36.0764 -36.0764 -36.0320 -36.0320 -7.6639 -7.6639 -7.0741 -7.0741 1.0138 1.0138 2.1012 2.1012 2.5041 2.5041 3.0151 3.0151 3.6381 3.6381 4.1550 4.1550 5.8413 5.8413 6.1514 6.1514 6.2360 6.2360 6.8068 6.8068 7.3036 7.3036 10.0343 10.0343 k = 0.2083-0.1382 0.0764 ( 8083 PWs) bands (ev): -64.9391 -64.9391 -37.0293 -37.0293 -36.0764 -36.0764 -36.0318 -36.0318 -7.6871 -7.6871 -7.0810 -7.0810 0.9863 0.9863 2.1772 2.1772 2.5521 2.5521 3.0234 3.0234 3.6815 3.6815 4.1959 4.1959 5.8485 5.8485 6.1384 6.1384 6.2283 6.2283 6.8021 6.8021 7.2944 7.2944 10.0735 10.0735 k = 0.1979-0.1313 0.0726 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0293 -37.0293 -36.0764 -36.0764 -36.0318 -36.0318 -7.7097 -7.7097 -7.0878 -7.0878 0.9582 0.9582 2.2464 2.2464 2.6072 2.6072 3.0326 3.0326 3.7264 3.7264 4.2362 4.2362 5.8549 5.8549 6.1230 6.1230 6.2189 6.2189 6.7984 6.7984 7.2877 7.2877 10.0996 10.0996 k = 0.1875-0.1244 0.0687 ( 8088 PWs) bands (ev): -64.9393 -64.9393 -37.0292 -37.0292 -36.0764 -36.0764 -36.0317 -36.0317 -7.7316 -7.7316 -7.0943 -7.0943 0.9298 0.9298 2.3084 2.3084 2.6688 2.6688 3.0432 3.0432 3.7731 3.7731 4.2760 4.2760 5.8618 5.8618 6.1069 6.1069 6.2091 6.2091 6.7965 6.7965 7.2842 7.2842 10.1080 10.1080 k = 0.1771-0.1175 0.0649 ( 8087 PWs) bands (ev): -64.9392 -64.9392 -37.0292 -37.0292 -36.0764 -36.0764 -36.0316 -36.0316 -7.7527 -7.7527 -7.1007 -7.1007 0.9015 0.9015 2.3634 2.3634 2.7351 2.7351 3.0555 3.0555 3.8216 3.8216 4.3150 4.3150 5.8681 5.8681 6.0897 6.0897 6.1979 6.1979 6.7963 6.7963 7.2842 7.2842 10.0921 10.0921 k = 0.1667-0.1106 0.0611 ( 8084 PWs) bands (ev): -64.9391 -64.9391 -37.0291 -37.0291 -36.0763 -36.0763 -36.0314 -36.0314 -7.7729 -7.7729 -7.1069 -7.1069 0.8735 0.8735 2.4122 2.4122 2.8035 2.8035 3.0700 3.0700 3.8721 3.8721 4.3530 4.3530 5.8739 5.8739 6.0710 6.0710 6.1867 6.1867 6.7978 6.7978 7.2872 7.2872 10.0487 10.0487 k = 0.1562-0.1036 0.0573 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0291 -37.0291 -36.0763 -36.0763 -36.0313 -36.0313 -7.7922 -7.7922 -7.1127 -7.1127 0.8461 0.8461 2.4560 2.4560 2.8707 2.8707 3.0878 3.0878 3.9249 3.9249 4.3898 4.3898 5.8784 5.8784 6.0501 6.0501 6.1746 6.1746 6.8003 6.8003 7.2937 7.2937 9.9844 9.9844 k = 0.1458-0.0967 0.0535 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0290 -37.0290 -36.0763 -36.0763 -36.0312 -36.0312 -7.8105 -7.8105 -7.1184 -7.1184 0.8196 0.8196 2.4954 2.4954 2.9330 2.9330 3.1105 3.1105 3.9799 3.9799 4.4253 4.4253 5.8824 5.8824 6.0287 6.0287 6.1612 6.1612 6.8045 6.8045 7.3034 7.3034 9.9081 9.9081 k = 0.1354-0.0898 0.0497 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0290 -37.0290 -36.0763 -36.0763 -36.0312 -36.0312 -7.8277 -7.8277 -7.1237 -7.1237 0.7941 0.7941 2.5312 2.5312 2.9863 2.9863 3.1403 3.1403 4.0373 4.0373 4.4594 4.4594 5.8852 5.8852 6.0062 6.0062 6.1462 6.1462 6.8095 6.8095 7.3162 7.3162 9.8252 9.8252 k = 0.1250-0.0829 0.0458 ( 8091 PWs) bands (ev): -64.9394 -64.9394 -37.0290 -37.0290 -36.0763 -36.0763 -36.0312 -36.0312 -7.8439 -7.8439 -7.1287 -7.1287 0.7700 0.7700 2.5637 2.5637 3.0284 3.0284 3.1782 3.1782 4.0971 4.0971 4.4919 4.4919 5.8861 5.8861 5.9842 5.9842 6.1317 6.1317 6.8157 6.8157 7.3314 7.3314 9.7393 9.7393 k = 0.1146-0.0760 0.0420 ( 8095 PWs) bands (ev): -64.9396 -64.9396 -37.0290 -37.0290 -36.0764 -36.0764 -36.0311 -36.0311 -7.8590 -7.8590 -7.1334 -7.1334 0.7472 0.7472 2.5932 2.5932 3.0603 3.0603 3.2218 3.2218 4.1589 4.1589 4.5227 4.5227 5.8838 5.8838 5.9634 5.9634 6.1178 6.1178 6.8215 6.8215 7.3492 7.3492 9.6527 9.6527 k = 0.1042-0.0691 0.0382 ( 8093 PWs) bands (ev): -64.9395 -64.9395 -37.0290 -37.0290 -36.0763 -36.0763 -36.0310 -36.0310 -7.8729 -7.8729 -7.1377 -7.1377 0.7260 0.7260 2.6198 2.6198 3.0857 3.0857 3.2668 3.2668 4.2223 4.2223 4.5518 4.5518 5.8778 5.8778 5.9462 5.9462 6.1033 6.1033 6.8289 6.8289 7.3701 7.3701 9.5675 9.5675 k = 0.0938-0.0622 0.0344 ( 8093 PWs) bands (ev): -64.9395 -64.9395 -37.0289 -37.0289 -36.0763 -36.0763 -36.0310 -36.0310 -7.8855 -7.8855 -7.1417 -7.1417 0.7065 0.7065 2.6435 2.6435 3.1073 3.1073 3.3096 3.3096 4.2865 4.2865 4.5790 4.5790 5.8659 5.8659 5.9333 5.9333 6.0894 6.0894 6.8362 6.8362 7.3923 7.3923 9.4852 9.4852 k = 0.0833-0.0553 0.0306 ( 8091 PWs) bands (ev): -64.9394 -64.9394 -37.0289 -37.0289 -36.0763 -36.0763 -36.0309 -36.0309 -7.8970 -7.8970 -7.1452 -7.1452 0.6888 0.6888 2.6645 2.6645 3.1266 3.1266 3.3484 3.3484 4.3505 4.3505 4.6042 4.6042 5.8492 5.8492 5.9244 5.9244 6.0761 6.0761 6.8435 6.8435 7.4162 7.4162 9.4073 9.4073 k = 0.0729-0.0484 0.0267 ( 8089 PWs) bands (ev): -64.9393 -64.9393 -37.0289 -37.0289 -36.0763 -36.0763 -36.0308 -36.0308 -7.9071 -7.9071 -7.1484 -7.1484 0.6730 0.6730 2.6827 2.6827 3.1443 3.1443 3.3822 3.3822 4.4130 4.4130 4.6273 4.6273 5.8299 5.8299 5.9176 5.9176 6.0641 6.0641 6.8506 6.8506 7.4403 7.4403 9.3352 9.3352 k = 0.0625-0.0415 0.0229 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0308 -36.0308 -7.9160 -7.9160 -7.1512 -7.1512 0.6591 0.6591 2.6982 2.6982 3.1605 3.1605 3.4108 3.4108 4.4723 4.4723 4.6482 4.6482 5.8100 5.8100 5.9115 5.9115 6.0543 6.0543 6.8573 6.8573 7.4638 7.4638 9.2701 9.2701 k = 0.0521-0.0345 0.0191 ( 8085 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0307 -36.0307 -7.9235 -7.9235 -7.1536 -7.1536 0.6473 0.6473 2.7110 2.7110 3.1749 3.1749 3.4342 3.4342 4.5268 4.5268 4.6669 4.6669 5.7905 5.7905 5.9053 5.9053 6.0457 6.0457 6.8635 6.8635 7.4851 7.4851 9.2131 9.2131 k = 0.0417-0.0276 0.0153 ( 8091 PWs) bands (ev): -64.9394 -64.9394 -37.0288 -37.0288 -36.0763 -36.0763 -36.0307 -36.0307 -7.9297 -7.9297 -7.1556 -7.1556 0.6375 0.6375 2.7212 2.7212 3.1873 3.1873 3.4526 3.4526 4.5743 4.5743 4.6831 4.6831 5.7726 5.7726 5.8986 5.8986 6.0380 6.0380 6.8683 6.8683 7.5039 7.5039 9.1649 9.1649 k = 0.0312-0.0207 0.0115 ( 8095 PWs) bands (ev): -64.9396 -64.9396 -37.0289 -37.0289 -36.0763 -36.0763 -36.0307 -36.0307 -7.9345 -7.9345 -7.1571 -7.1571 0.6299 0.6299 2.7291 2.7291 3.1974 3.1974 3.4665 3.4665 4.6129 4.6129 4.6971 4.6971 5.7576 5.7576 5.8920 5.8920 6.0326 6.0326 6.8726 6.8726 7.5192 7.5192 9.1268 9.1268 k = 0.0208-0.0138 0.0076 ( 8084 PWs) bands (ev): -64.9391 -64.9391 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9380 -7.9380 -7.1582 -7.1582 0.6244 0.6244 2.7348 2.7348 3.2051 3.2051 3.4761 3.4761 4.6408 4.6408 4.7084 4.7084 5.7472 5.7472 5.8884 5.8884 6.0302 6.0302 6.8764 6.8764 7.5318 7.5318 9.0992 9.0992 k = 0.0104-0.0069 0.0038 ( 8082 PWs) bands (ev): -64.9390 -64.9390 -37.0288 -37.0288 -36.0762 -36.0762 -36.0306 -36.0306 -7.9400 -7.9400 -7.1588 -7.1588 0.6211 0.6211 2.7381 2.7381 3.2098 3.2098 3.4818 3.4818 4.6572 4.6572 4.7163 4.7163 5.7402 5.7402 5.8853 5.8853 6.0285 6.0285 6.8784 6.8784 7.5396 7.5396 9.0824 9.0824 k = 0.0000 0.0000 0.0000 ( 8081 PWs) bands (ev): -64.9389 -64.9389 -37.0287 -37.0287 -36.0762 -36.0762 -36.0305 -36.0305 -7.9407 -7.9407 -7.1591 -7.1591 0.6200 0.6200 2.7393 2.7393 3.2114 3.2114 3.4836 3.4836 4.6626 4.6626 4.7192 4.7192 5.7378 5.7378 5.8845 5.8845 6.0275 6.0275 6.8794 6.8794 7.5422 7.5422 9.0766 9.0766 Writing output data file CrI2.save init_run : 0.65s CPU 0.40s WALL ( 1 calls) electrons : 312.06s CPU 200.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 312.05s CPU 200.28s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.22s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.28s CPU 0.39s WALL ( 377 calls) cegterg : 271.87s CPU 177.69s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 207.41s CPU 123.73s WALL ( 7215 calls) s_psi : 3.87s CPU 2.41s WALL ( 7215 calls) g_psi : 0.21s CPU 0.15s WALL ( 6409 calls) cdiaghg : 73.47s CPU 55.10s WALL ( 6786 calls) cegterg:over : 8.89s CPU 5.90s WALL ( 6409 calls) cegterg:upda : 5.75s CPU 3.76s WALL ( 6409 calls) cegterg:last : 3.04s CPU 2.36s WALL ( 1183 calls) cdiaghg:chol : 3.30s CPU 2.43s WALL ( 6786 calls) cdiaghg:inve : 0.92s CPU 0.70s WALL ( 6786 calls) cdiaghg:para : 4.28s CPU 3.22s WALL ( 13572 calls) Called by h_psi: h_psi:vloc : 194.64s CPU 115.88s WALL ( 7215 calls) h_psi:vnl : 12.52s CPU 7.72s WALL ( 7215 calls) add_vuspsi : 7.10s CPU 4.22s WALL ( 7215 calls) General routines calbec : 5.38s CPU 3.48s WALL ( 7215 calls) fft : 0.09s CPU 0.04s WALL ( 15 calls) fftw : 188.65s CPU 112.31s WALL ( 498168 calls) davcio : 0.47s CPU 0.64s WALL ( 754 calls) Parallel routines fft_scatter : 121.46s CPU 75.63s WALL ( 498183 calls) PWSCF : 5m41.74s CPU 4m12.37s WALL This run was terminated on: 3: 2:31 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=