Program PWSCF v.5.1.1 starts on 8Oct2015 at 19:54: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KNO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 12 3 1018 446 69 Max 22 13 4 1023 463 80 Sum 1035 599 181 48991 21715 3641 bravais-lattice index = 14 lattice parameter (alat) = 6.3381 a.u. unit-cell volume = 497.3003 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.338147 celldm(2)= 1.000000 celldm(3)= 1.995344 celldm(4)= 0.113679 celldm(5)= 0.113679 celldm(6)= -0.114290 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.114290 0.993447 0.000000 ) a(3) = ( 0.226829 0.254421 1.966016 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.115044 -0.130263 ) b(2) = ( 0.000000 1.006596 -0.130263 ) b(3) = ( 0.000000 0.000000 0.508643 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0070112 0.0078640 -0.0010177), wk = 0.0023474 k( 3) = ( 0.0140224 0.0157281 -0.0020354), wk = 0.0023474 k( 4) = ( 0.0210336 0.0235921 -0.0030530), wk = 0.0023474 k( 5) = ( 0.0280448 0.0314561 -0.0040707), wk = 0.0023474 k( 6) = ( 0.0350560 0.0393201 -0.0050884), wk = 0.0023474 k( 7) = ( 0.0420671 0.0471842 -0.0061061), wk = 0.0023474 k( 8) = ( 0.0490783 0.0550482 -0.0071237), wk = 0.0023474 k( 9) = ( 0.0560895 0.0629122 -0.0081414), wk = 0.0023474 k( 10) = ( 0.0631007 0.0707763 -0.0091591), wk = 0.0023474 k( 11) = ( 0.0701119 0.0786403 -0.0101768), wk = 0.0023474 k( 12) = ( 0.0771231 0.0865043 -0.0111945), wk = 0.0023474 k( 13) = ( 0.0841343 0.0943684 -0.0122121), wk = 0.0023474 k( 14) = ( 0.0911455 0.1022324 -0.0132298), wk = 0.0023474 k( 15) = ( 0.0981567 0.1100964 -0.0142475), wk = 0.0023474 k( 16) = ( 0.1051678 0.1179604 -0.0152652), wk = 0.0023474 k( 17) = ( 0.1121790 0.1258245 -0.0162828), wk = 0.0023474 k( 18) = ( 0.1191902 0.1336885 -0.0173005), wk = 0.0023474 k( 19) = ( 0.1262014 0.1415525 -0.0183182), wk = 0.0023474 k( 20) = ( 0.1332126 0.1494166 -0.0193359), wk = 0.0023474 k( 21) = ( 0.1402238 0.1572806 -0.0203536), wk = 0.0023474 k( 22) = ( 0.1472350 0.1651446 -0.0213712), wk = 0.0023474 k( 23) = ( 0.1542462 0.1730087 -0.0223889), wk = 0.0023474 k( 24) = ( 0.1612574 0.1808727 -0.0234066), wk = 0.0023474 k( 25) = ( 0.1682686 0.1887367 -0.0244243), wk = 0.0023474 k( 26) = ( 0.1752798 0.1966007 -0.0254420), wk = 0.0023474 k( 27) = ( 0.1822909 0.2044648 -0.0264596), wk = 0.0023474 k( 28) = ( 0.1893021 0.2123288 -0.0274773), wk = 0.0023474 k( 29) = ( 0.1963133 0.2201928 -0.0284950), wk = 0.0023474 k( 30) = ( 0.2033245 0.2280569 -0.0295127), wk = 0.0023474 k( 31) = ( 0.2103357 0.2359209 -0.0305303), wk = 0.0023474 k( 32) = ( 0.2173469 0.2437849 -0.0315480), wk = 0.0023474 k( 33) = ( 0.2243581 0.2516489 -0.0325657), wk = 0.0023474 k( 34) = ( 0.2313693 0.2595130 -0.0335834), wk = 0.0023474 k( 35) = ( 0.2383805 0.2673770 -0.0346011), wk = 0.0023474 k( 36) = ( 0.2453916 0.2752410 -0.0356187), wk = 0.0023474 k( 37) = ( 0.2524028 0.2831051 -0.0366364), wk = 0.0023474 k( 38) = ( 0.2594140 0.2909691 -0.0376541), wk = 0.0023474 k( 39) = ( 0.2664252 0.2988331 -0.0386718), wk = 0.0023474 k( 40) = ( 0.2734364 0.3066972 -0.0396894), wk = 0.0023474 k( 41) = ( 0.2804476 0.3145612 -0.0407071), wk = 0.0023474 k( 42) = ( 0.2874588 0.3224252 -0.0417248), wk = 0.0023474 k( 43) = ( 0.2944700 0.3302892 -0.0427425), wk = 0.0023474 k( 44) = ( 0.3014812 0.3381533 -0.0437602), wk = 0.0023474 k( 45) = ( 0.3084924 0.3460173 -0.0447778), wk = 0.0023474 k( 46) = ( 0.3155036 0.3538813 -0.0457955), wk = 0.0023474 k( 47) = ( 0.3225147 0.3617454 -0.0468132), wk = 0.0023474 k( 48) = ( 0.3295259 0.3696094 -0.0478309), wk = 0.0023474 k( 49) = ( 0.3365371 0.3774734 -0.0488485), wk = 0.0023474 k( 50) = ( 0.3435483 0.3853375 -0.0498662), wk = 0.0023474 k( 51) = ( 0.3505595 0.3932015 -0.0508839), wk = 0.0023474 k( 52) = ( 0.3575707 0.4010655 -0.0519016), wk = 0.0023474 k( 53) = ( 0.3645819 0.4089295 -0.0529193), wk = 0.0023474 k( 54) = ( 0.3715931 0.4167936 -0.0539369), wk = 0.0023474 k( 55) = ( 0.3786043 0.4246576 -0.0549546), wk = 0.0023474 k( 56) = ( 0.3856155 0.4325216 -0.0559723), wk = 0.0023474 k( 57) = ( 0.3926266 0.4403857 -0.0569900), wk = 0.0023474 k( 58) = ( 0.3996378 0.4482497 -0.0580077), wk = 0.0023474 k( 59) = ( 0.4066490 0.4561137 -0.0590253), wk = 0.0023474 k( 60) = ( 0.4136602 0.4639777 -0.0600430), wk = 0.0023474 k( 61) = ( 0.4206714 0.4718418 -0.0610607), wk = 0.0023474 k( 62) = ( 0.4276826 0.4797058 -0.0620784), wk = 0.0023474 k( 63) = ( 0.4346938 0.4875698 -0.0630960), wk = 0.0023474 k( 64) = ( 0.4417050 0.4954339 -0.0641137), wk = 0.0023474 k( 65) = ( 0.4487162 0.5032979 -0.0651314), wk = 0.0023474 k( 66) = ( 0.4487162 0.5032979 -0.0651314), wk = 0.0023474 k( 67) = ( 0.4499288 0.5046581 -0.0546208), wk = 0.0023474 k( 68) = ( 0.4511415 0.5060182 -0.0441103), wk = 0.0023474 k( 69) = ( 0.4523541 0.5073784 -0.0335997), wk = 0.0023474 k( 70) = ( 0.4535668 0.5087386 -0.0230892), wk = 0.0023474 k( 71) = ( 0.4547794 0.5100987 -0.0125786), wk = 0.0023474 k( 72) = ( 0.4559921 0.5114589 -0.0020681), wk = 0.0023474 k( 73) = ( 0.4572048 0.5128190 0.0084425), wk = 0.0023474 k( 74) = ( 0.4584174 0.5141792 0.0189531), wk = 0.0023474 k( 75) = ( 0.4596301 0.5155394 0.0294636), wk = 0.0023474 k( 76) = ( 0.4608427 0.5168995 0.0399742), wk = 0.0023474 k( 77) = ( 0.4620554 0.5182597 0.0504847), wk = 0.0023474 k( 78) = ( 0.4632680 0.5196199 0.0609953), wk = 0.0023474 k( 79) = ( 0.4644807 0.5209800 0.0715059), wk = 0.0023474 k( 80) = ( 0.4656934 0.5223402 0.0820164), wk = 0.0023474 k( 81) = ( 0.4669060 0.5237004 0.0925270), wk = 0.0023474 k( 82) = ( 0.4681187 0.5250605 0.1030375), wk = 0.0023474 k( 83) = ( 0.4693313 0.5264207 0.1135481), wk = 0.0023474 k( 84) = ( 0.4705440 0.5277808 0.1240586), wk = 0.0023474 k( 85) = ( 0.4705440 0.5277808 0.1240586), wk = 0.0023474 k( 86) = ( 0.4674257 0.5242833 0.1333631), wk = 0.0023474 k( 87) = ( 0.4643075 0.5207857 0.1426676), wk = 0.0023474 k( 88) = ( 0.4611892 0.5172882 0.1519721), wk = 0.0023474 k( 89) = ( 0.4580709 0.5137906 0.1612766), wk = 0.0023474 k( 90) = ( 0.4549527 0.5102930 0.1705811), wk = 0.0023474 k( 91) = ( 0.4518344 0.5067955 0.1798856), wk = 0.0023474 k( 92) = ( 0.4487162 0.5032979 0.1891900), wk = 0.0023474 k( 93) = ( 0.4455979 0.4998003 0.1984945), wk = 0.0023474 k( 94) = ( 0.4424797 0.4963028 0.2077990), wk = 0.0023474 k( 95) = ( 0.4393614 0.4928052 0.2171035), wk = 0.0023474 k( 96) = ( 0.4362431 0.4893077 0.2264080), wk = 0.0023474 k( 97) = ( 0.4331249 0.4858101 0.2357125), wk = 0.0023474 k( 98) = ( 0.4300066 0.4823125 0.2450170), wk = 0.0023474 k( 99) = ( 0.4268884 0.4788150 0.2543215), wk = 0.0023474 k( 100) = ( 0.4268884 0.4788150 0.2543215), wk = 0.0023474 k( 101) = ( 0.4198902 0.4709655 0.2543214), wk = 0.0023474 k( 102) = ( 0.4128920 0.4631161 0.2543215), wk = 0.0023474 k( 103) = ( 0.4058939 0.4552667 0.2543214), wk = 0.0023474 k( 104) = ( 0.3988957 0.4474173 0.2543214), wk = 0.0023474 k( 105) = ( 0.3918975 0.4395678 0.2543214), wk = 0.0023474 k( 106) = ( 0.3848993 0.4317184 0.2543214), wk = 0.0023474 k( 107) = ( 0.3779012 0.4238690 0.2543214), wk = 0.0023474 k( 108) = ( 0.3709030 0.4160196 0.2543214), wk = 0.0023474 k( 109) = ( 0.3639048 0.4081701 0.2543214), wk = 0.0023474 k( 110) = ( 0.3569067 0.4003207 0.2543214), wk = 0.0023474 k( 111) = ( 0.3499085 0.3924713 0.2543214), wk = 0.0023474 k( 112) = ( 0.3429103 0.3846219 0.2543214), wk = 0.0023474 k( 113) = ( 0.3359122 0.3767724 0.2543214), wk = 0.0023474 k( 114) = ( 0.3289140 0.3689230 0.2543214), wk = 0.0023474 k( 115) = ( 0.3219158 0.3610736 0.2543214), wk = 0.0023474 k( 116) = ( 0.3149176 0.3532242 0.2543214), wk = 0.0023474 k( 117) = ( 0.3079195 0.3453747 0.2543214), wk = 0.0023474 k( 118) = ( 0.3009213 0.3375253 0.2543214), wk = 0.0023474 k( 119) = ( 0.2939231 0.3296759 0.2543214), wk = 0.0023474 k( 120) = ( 0.2869250 0.3218265 0.2543214), wk = 0.0023474 k( 121) = ( 0.2799268 0.3139770 0.2543214), wk = 0.0023474 k( 122) = ( 0.2729286 0.3061276 0.2543214), wk = 0.0023474 k( 123) = ( 0.2659304 0.2982782 0.2543214), wk = 0.0023474 k( 124) = ( 0.2589323 0.2904287 0.2543214), wk = 0.0023474 k( 125) = ( 0.2519341 0.2825793 0.2543214), wk = 0.0023474 k( 126) = ( 0.2449359 0.2747299 0.2543214), wk = 0.0023474 k( 127) = ( 0.2379378 0.2668805 0.2543214), wk = 0.0023474 k( 128) = ( 0.2309396 0.2590310 0.2543214), wk = 0.0023474 k( 129) = ( 0.2239414 0.2511816 0.2543215), wk = 0.0023474 k( 130) = ( 0.2169433 0.2433322 0.2543214), wk = 0.0023474 k( 131) = ( 0.2099451 0.2354828 0.2543215), wk = 0.0023474 k( 132) = ( 0.2029469 0.2276333 0.2543214), wk = 0.0023474 k( 133) = ( 0.1959488 0.2197839 0.2543215), wk = 0.0023474 k( 134) = ( 0.1889506 0.2119345 0.2543214), wk = 0.0023474 k( 135) = ( 0.1819524 0.2040851 0.2543215), wk = 0.0023474 k( 136) = ( 0.1749542 0.1962356 0.2543214), wk = 0.0023474 k( 137) = ( 0.1679561 0.1883862 0.2543215), wk = 0.0023474 k( 138) = ( 0.1609579 0.1805368 0.2543214), wk = 0.0023474 k( 139) = ( 0.1539597 0.1726874 0.2543215), wk = 0.0023474 k( 140) = ( 0.1469616 0.1648379 0.2543214), wk = 0.0023474 k( 141) = ( 0.1399634 0.1569885 0.2543215), wk = 0.0023474 k( 142) = ( 0.1329652 0.1491391 0.2543214), wk = 0.0023474 k( 143) = ( 0.1259671 0.1412897 0.2543214), wk = 0.0023474 k( 144) = ( 0.1189689 0.1334402 0.2543214), wk = 0.0023474 k( 145) = ( 0.1119707 0.1255908 0.2543214), wk = 0.0023474 k( 146) = ( 0.1049725 0.1177414 0.2543214), wk = 0.0023474 k( 147) = ( 0.0979744 0.1098920 0.2543214), wk = 0.0023474 k( 148) = ( 0.0909762 0.1020425 0.2543214), wk = 0.0023474 k( 149) = ( 0.0839780 0.0941931 0.2543214), wk = 0.0023474 k( 150) = ( 0.0769799 0.0863437 0.2543214), wk = 0.0023474 k( 151) = ( 0.0699817 0.0784943 0.2543214), wk = 0.0023474 k( 152) = ( 0.0629835 0.0706448 0.2543214), wk = 0.0023474 k( 153) = ( 0.0559854 0.0627954 0.2543214), wk = 0.0023474 k( 154) = ( 0.0489872 0.0549460 0.2543214), wk = 0.0023474 k( 155) = ( 0.0419890 0.0470966 0.2543214), wk = 0.0023474 k( 156) = ( 0.0349908 0.0392471 0.2543214), wk = 0.0023474 k( 157) = ( 0.0279927 0.0313977 0.2543214), wk = 0.0023474 k( 158) = ( 0.0209945 0.0235483 0.2543214), wk = 0.0023474 k( 159) = ( 0.0139963 0.0156989 0.2543214), wk = 0.0023474 k( 160) = ( 0.0069982 0.0078494 0.2543214), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.2543214), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.2543214), wk = 0.0023474 k( 163) = ( 0.0079365 -0.0070758 0.2543214), wk = 0.0023474 k( 164) = ( 0.0158730 -0.0141516 0.2543214), wk = 0.0023474 k( 165) = ( 0.0238095 -0.0212274 0.2543214), wk = 0.0023474 k( 166) = ( 0.0317460 -0.0283032 0.2543214), wk = 0.0023474 k( 167) = ( 0.0396825 -0.0353790 0.2543214), wk = 0.0023474 k( 168) = ( 0.0476191 -0.0424549 0.2543214), wk = 0.0023474 k( 169) = ( 0.0555556 -0.0495307 0.2543214), wk = 0.0023474 k( 170) = ( 0.0634921 -0.0566065 0.2543214), wk = 0.0023474 k( 171) = ( 0.0714286 -0.0636823 0.2543214), wk = 0.0023474 k( 172) = ( 0.0793651 -0.0707581 0.2543214), wk = 0.0023474 k( 173) = ( 0.0873016 -0.0778339 0.2543214), wk = 0.0023474 k( 174) = ( 0.0952381 -0.0849097 0.2543214), wk = 0.0023474 k( 175) = ( 0.1031746 -0.0919855 0.2543214), wk = 0.0023474 k( 176) = ( 0.1111111 -0.0990613 0.2543214), wk = 0.0023474 k( 177) = ( 0.1190476 -0.1061371 0.2543214), wk = 0.0023474 k( 178) = ( 0.1269841 -0.1132129 0.2543214), wk = 0.0023474 k( 179) = ( 0.1349206 -0.1202887 0.2543214), wk = 0.0023474 k( 180) = ( 0.1428571 -0.1273645 0.2543214), wk = 0.0023474 k( 181) = ( 0.1507937 -0.1344404 0.2543214), wk = 0.0023474 k( 182) = ( 0.1587302 -0.1415162 0.2543214), wk = 0.0023474 k( 183) = ( 0.1666667 -0.1485920 0.2543214), wk = 0.0023474 k( 184) = ( 0.1746032 -0.1556678 0.2543214), wk = 0.0023474 k( 185) = ( 0.1825397 -0.1627436 0.2543214), wk = 0.0023474 k( 186) = ( 0.1904762 -0.1698194 0.2543214), wk = 0.0023474 k( 187) = ( 0.1984127 -0.1768952 0.2543214), wk = 0.0023474 k( 188) = ( 0.2063492 -0.1839710 0.2543214), wk = 0.0023474 k( 189) = ( 0.2142857 -0.1910468 0.2543214), wk = 0.0023474 k( 190) = ( 0.2222222 -0.1981226 0.2543214), wk = 0.0023474 k( 191) = ( 0.2301587 -0.2051984 0.2543214), wk = 0.0023474 k( 192) = ( 0.2380952 -0.2122742 0.2543214), wk = 0.0023474 k( 193) = ( 0.2460317 -0.2193501 0.2543214), wk = 0.0023474 k( 194) = ( 0.2539683 -0.2264259 0.2543214), wk = 0.0023474 k( 195) = ( 0.2619048 -0.2335017 0.2543214), wk = 0.0023474 k( 196) = ( 0.2698413 -0.2405775 0.2543214), wk = 0.0023474 k( 197) = ( 0.2777778 -0.2476533 0.2543214), wk = 0.0023474 k( 198) = ( 0.2857143 -0.2547291 0.2543214), wk = 0.0023474 k( 199) = ( 0.2936508 -0.2618049 0.2543214), wk = 0.0023474 k( 200) = ( 0.3015873 -0.2688807 0.2543214), wk = 0.0023474 k( 201) = ( 0.3095238 -0.2759565 0.2543214), wk = 0.0023474 k( 202) = ( 0.3174603 -0.2830323 0.2543214), wk = 0.0023474 k( 203) = ( 0.3253968 -0.2901081 0.2543214), wk = 0.0023474 k( 204) = ( 0.3333333 -0.2971839 0.2543214), wk = 0.0023474 k( 205) = ( 0.3412698 -0.3042597 0.2543214), wk = 0.0023474 k( 206) = ( 0.3492063 -0.3113356 0.2543214), wk = 0.0023474 k( 207) = ( 0.3571429 -0.3184114 0.2543214), wk = 0.0023474 k( 208) = ( 0.3650794 -0.3254872 0.2543214), wk = 0.0023474 k( 209) = ( 0.3730159 -0.3325630 0.2543214), wk = 0.0023474 k( 210) = ( 0.3809524 -0.3396388 0.2543214), wk = 0.0023474 k( 211) = ( 0.3888889 -0.3467146 0.2543214), wk = 0.0023474 k( 212) = ( 0.3968254 -0.3537904 0.2543214), wk = 0.0023474 k( 213) = ( 0.4047619 -0.3608662 0.2543214), wk = 0.0023474 k( 214) = ( 0.4126984 -0.3679420 0.2543214), wk = 0.0023474 k( 215) = ( 0.4206349 -0.3750178 0.2543214), wk = 0.0023474 k( 216) = ( 0.4285714 -0.3820936 0.2543214), wk = 0.0023474 k( 217) = ( 0.4365079 -0.3891695 0.2543214), wk = 0.0023474 k( 218) = ( 0.4444444 -0.3962453 0.2543214), wk = 0.0023474 k( 219) = ( 0.4523810 -0.4033211 0.2543214), wk = 0.0023474 k( 220) = ( 0.4603175 -0.4103969 0.2543214), wk = 0.0023474 k( 221) = ( 0.4682540 -0.4174727 0.2543214), wk = 0.0023474 k( 222) = ( 0.4761905 -0.4245485 0.2543214), wk = 0.0023474 k( 223) = ( 0.4841270 -0.4316243 0.2543214), wk = 0.0023474 k( 224) = ( 0.4920635 -0.4387001 0.2543214), wk = 0.0023474 k( 225) = ( 0.5000000 -0.4457759 0.2543214), wk = 0.0023474 k( 226) = ( 0.5000000 -0.4457759 0.2543214), wk = 0.0023474 k( 227) = ( 0.5058912 -0.4391681 0.2543214), wk = 0.0023474 k( 228) = ( 0.5117824 -0.4325603 0.2543214), wk = 0.0023474 k( 229) = ( 0.5176736 -0.4259525 0.2543214), wk = 0.0023474 k( 230) = ( 0.5235648 -0.4193447 0.2543214), wk = 0.0023474 k( 231) = ( 0.5294560 -0.4127369 0.2543214), wk = 0.0023474 k( 232) = ( 0.5731116 -0.3637710 0.1240586), wk = 0.0023474 k( 233) = ( 0.5718990 -0.3651311 0.1135481), wk = 0.0023474 k( 234) = ( 0.5706863 -0.3664913 0.1030375), wk = 0.0023474 k( 235) = ( 0.5694737 -0.3678515 0.0925270), wk = 0.0023474 k( 236) = ( 0.5682610 -0.3692116 0.0820164), wk = 0.0023474 k( 237) = ( 0.5670484 -0.3705718 0.0715059), wk = 0.0023474 k( 238) = ( 0.5658357 -0.3719320 0.0609953), wk = 0.0023474 k( 239) = ( 0.5646231 -0.3732921 0.0504847), wk = 0.0023474 k( 240) = ( 0.5634104 -0.3746523 0.0399742), wk = 0.0023474 k( 241) = ( 0.5621977 -0.3760125 0.0294636), wk = 0.0023474 k( 242) = ( 0.5609851 -0.3773726 0.0189531), wk = 0.0023474 k( 243) = ( 0.5597724 -0.3787328 0.0084425), wk = 0.0023474 k( 244) = ( 0.5585598 -0.3800929 -0.0020681), wk = 0.0023474 k( 245) = ( 0.5573471 -0.3814531 -0.0125786), wk = 0.0023474 k( 246) = ( 0.5561345 -0.3828133 -0.0230892), wk = 0.0023474 k( 247) = ( 0.5549218 -0.3841734 -0.0335997), wk = 0.0023474 k( 248) = ( 0.5537091 -0.3855336 -0.0441103), wk = 0.0023474 k( 249) = ( 0.5524965 -0.3868938 -0.0546208), wk = 0.0023474 k( 250) = ( 0.5512838 -0.3882539 -0.0651314), wk = 0.0023474 k( 251) = ( 0.5512838 -0.3882539 -0.0651314), wk = 0.0023474 k( 252) = ( 0.5461554 -0.3940061 -0.0586183), wk = 0.0023474 k( 253) = ( 0.5410271 -0.3997583 -0.0521051), wk = 0.0023474 k( 254) = ( 0.5358987 -0.4055105 -0.0455920), wk = 0.0023474 k( 255) = ( 0.5307703 -0.4112627 -0.0390788), wk = 0.0023474 k( 256) = ( 0.5256419 -0.4170149 -0.0325657), wk = 0.0023474 k( 257) = ( 0.5205135 -0.4227671 -0.0260526), wk = 0.0023474 k( 258) = ( 0.5153851 -0.4285193 -0.0195394), wk = 0.0023474 k( 259) = ( 0.5102568 -0.4342715 -0.0130263), wk = 0.0023474 k( 260) = ( 0.5051284 -0.4400237 -0.0065131), wk = 0.0023474 k( 261) = ( 0.5000000 -0.4457759 0.0000000), wk = 0.0023474 k( 262) = ( 0.5000000 -0.4457759 0.0000000), wk = 0.0023474 k( 263) = ( 0.4920635 -0.4387001 0.0000000), wk = 0.0023474 k( 264) = ( 0.4841270 -0.4316243 0.0000000), wk = 0.0023474 k( 265) = ( 0.4761905 -0.4245485 0.0000000), wk = 0.0023474 k( 266) = ( 0.4682540 -0.4174727 0.0000000), wk = 0.0023474 k( 267) = ( 0.4603175 -0.4103969 0.0000000), wk = 0.0023474 k( 268) = ( 0.4523810 -0.4033211 0.0000000), wk = 0.0023474 k( 269) = ( 0.4444444 -0.3962453 0.0000000), wk = 0.0023474 k( 270) = ( 0.4365079 -0.3891695 0.0000000), wk = 0.0023474 k( 271) = ( 0.4285714 -0.3820936 0.0000000), wk = 0.0023474 k( 272) = ( 0.4206349 -0.3750178 0.0000000), wk = 0.0023474 k( 273) = ( 0.4126984 -0.3679420 0.0000000), wk = 0.0023474 k( 274) = ( 0.4047619 -0.3608662 0.0000000), wk = 0.0023474 k( 275) = ( 0.3968254 -0.3537904 0.0000000), wk = 0.0023474 k( 276) = ( 0.3888889 -0.3467146 0.0000000), wk = 0.0023474 k( 277) = ( 0.3809524 -0.3396388 0.0000000), wk = 0.0023474 k( 278) = ( 0.3730159 -0.3325630 0.0000000), wk = 0.0023474 k( 279) = ( 0.3650794 -0.3254872 0.0000000), wk = 0.0023474 k( 280) = ( 0.3571429 -0.3184114 0.0000000), wk = 0.0023474 k( 281) = ( 0.3492063 -0.3113356 0.0000000), wk = 0.0023474 k( 282) = ( 0.3412698 -0.3042597 0.0000000), wk = 0.0023474 k( 283) = ( 0.3333333 -0.2971839 0.0000000), wk = 0.0023474 k( 284) = ( 0.3253968 -0.2901081 0.0000000), wk = 0.0023474 k( 285) = ( 0.3174603 -0.2830323 0.0000000), wk = 0.0023474 k( 286) = ( 0.3095238 -0.2759565 0.0000000), wk = 0.0023474 k( 287) = ( 0.3015873 -0.2688807 0.0000000), wk = 0.0023474 k( 288) = ( 0.2936508 -0.2618049 0.0000000), wk = 0.0023474 k( 289) = ( 0.2857143 -0.2547291 0.0000000), wk = 0.0023474 k( 290) = ( 0.2777778 -0.2476533 0.0000000), wk = 0.0023474 k( 291) = ( 0.2698413 -0.2405775 0.0000000), wk = 0.0023474 k( 292) = ( 0.2619048 -0.2335017 0.0000000), wk = 0.0023474 k( 293) = ( 0.2539683 -0.2264259 0.0000000), wk = 0.0023474 k( 294) = ( 0.2460317 -0.2193501 0.0000000), wk = 0.0023474 k( 295) = ( 0.2380952 -0.2122742 0.0000000), wk = 0.0023474 k( 296) = ( 0.2301587 -0.2051984 0.0000000), wk = 0.0023474 k( 297) = ( 0.2222222 -0.1981226 0.0000000), wk = 0.0023474 k( 298) = ( 0.2142857 -0.1910468 0.0000000), wk = 0.0023474 k( 299) = ( 0.2063492 -0.1839710 0.0000000), wk = 0.0023474 k( 300) = ( 0.1984127 -0.1768952 0.0000000), wk = 0.0023474 k( 301) = ( 0.1904762 -0.1698194 0.0000000), wk = 0.0023474 k( 302) = ( 0.1825397 -0.1627436 0.0000000), wk = 0.0023474 k( 303) = ( 0.1746032 -0.1556678 0.0000000), wk = 0.0023474 k( 304) = ( 0.1666667 -0.1485920 0.0000000), wk = 0.0023474 k( 305) = ( 0.1587302 -0.1415162 0.0000000), wk = 0.0023474 k( 306) = ( 0.1507937 -0.1344404 0.0000000), wk = 0.0023474 k( 307) = ( 0.1428571 -0.1273645 0.0000000), wk = 0.0023474 k( 308) = ( 0.1349206 -0.1202887 0.0000000), wk = 0.0023474 k( 309) = ( 0.1269841 -0.1132129 0.0000000), wk = 0.0023474 k( 310) = ( 0.1190476 -0.1061371 0.0000000), wk = 0.0023474 k( 311) = ( 0.1111111 -0.0990613 0.0000000), wk = 0.0023474 k( 312) = ( 0.1031746 -0.0919855 0.0000000), wk = 0.0023474 k( 313) = ( 0.0952381 -0.0849097 0.0000000), wk = 0.0023474 k( 314) = ( 0.0873016 -0.0778339 0.0000000), wk = 0.0023474 k( 315) = ( 0.0793651 -0.0707581 0.0000000), wk = 0.0023474 k( 316) = ( 0.0714286 -0.0636823 0.0000000), wk = 0.0023474 k( 317) = ( 0.0634921 -0.0566065 0.0000000), wk = 0.0023474 k( 318) = ( 0.0555556 -0.0495307 0.0000000), wk = 0.0023474 k( 319) = ( 0.0476191 -0.0424549 0.0000000), wk = 0.0023474 k( 320) = ( 0.0396825 -0.0353790 0.0000000), wk = 0.0023474 k( 321) = ( 0.0317460 -0.0283032 0.0000000), wk = 0.0023474 k( 322) = ( 0.0238095 -0.0212274 0.0000000), wk = 0.0023474 k( 323) = ( 0.0158730 -0.0141516 0.0000000), wk = 0.0023474 k( 324) = ( 0.0079365 -0.0070758 0.0000000), wk = 0.0023474 k( 325) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 327) = ( 0.0104167 0.0011984 -0.0013569), wk = 0.0023474 k( 328) = ( 0.0208333 0.0023967 -0.0027138), wk = 0.0023474 k( 329) = ( 0.0312500 0.0035951 -0.0040707), wk = 0.0023474 k( 330) = ( 0.0416667 0.0047935 -0.0054276), wk = 0.0023474 k( 331) = ( 0.0520833 0.0059919 -0.0067845), wk = 0.0023474 k( 332) = ( 0.0625000 0.0071902 -0.0081414), wk = 0.0023474 k( 333) = ( 0.0729167 0.0083886 -0.0094983), wk = 0.0023474 k( 334) = ( 0.0833333 0.0095870 -0.0108552), wk = 0.0023474 k( 335) = ( 0.0937500 0.0107854 -0.0122121), wk = 0.0023474 k( 336) = ( 0.1041667 0.0119837 -0.0135690), wk = 0.0023474 k( 337) = ( 0.1145833 0.0131821 -0.0149259), wk = 0.0023474 k( 338) = ( 0.1250000 0.0143805 -0.0162829), wk = 0.0023474 k( 339) = ( 0.1354167 0.0155789 -0.0176398), wk = 0.0023474 k( 340) = ( 0.1458333 0.0167772 -0.0189967), wk = 0.0023474 k( 341) = ( 0.1562500 0.0179756 -0.0203536), wk = 0.0023474 k( 342) = ( 0.1666667 0.0191740 -0.0217105), wk = 0.0023474 k( 343) = ( 0.1770833 0.0203724 -0.0230674), wk = 0.0023474 k( 344) = ( 0.1875000 0.0215707 -0.0244243), wk = 0.0023474 k( 345) = ( 0.1979167 0.0227691 -0.0257812), wk = 0.0023474 k( 346) = ( 0.2083333 0.0239675 -0.0271381), wk = 0.0023474 k( 347) = ( 0.2187500 0.0251659 -0.0284950), wk = 0.0023474 k( 348) = ( 0.2291667 0.0263642 -0.0298519), wk = 0.0023474 k( 349) = ( 0.2395833 0.0275626 -0.0312088), wk = 0.0023474 k( 350) = ( 0.2500000 0.0287610 -0.0325657), wk = 0.0023474 k( 351) = ( 0.2604167 0.0299594 -0.0339226), wk = 0.0023474 k( 352) = ( 0.2708333 0.0311577 -0.0352795), wk = 0.0023474 k( 353) = ( 0.2812500 0.0323561 -0.0366364), wk = 0.0023474 k( 354) = ( 0.2916667 0.0335545 -0.0379933), wk = 0.0023474 k( 355) = ( 0.3020833 0.0347529 -0.0393502), wk = 0.0023474 k( 356) = ( 0.3125000 0.0359512 -0.0407071), wk = 0.0023474 k( 357) = ( 0.3229167 0.0371496 -0.0420640), wk = 0.0023474 k( 358) = ( 0.3333333 0.0383480 -0.0434209), wk = 0.0023474 k( 359) = ( 0.3437500 0.0395464 -0.0447778), wk = 0.0023474 k( 360) = ( 0.3541667 0.0407447 -0.0461347), wk = 0.0023474 k( 361) = ( 0.3645833 0.0419431 -0.0474916), wk = 0.0023474 k( 362) = ( 0.3750000 0.0431415 -0.0488486), wk = 0.0023474 k( 363) = ( 0.3854167 0.0443399 -0.0502055), wk = 0.0023474 k( 364) = ( 0.3958333 0.0455382 -0.0515624), wk = 0.0023474 k( 365) = ( 0.4062500 0.0467366 -0.0529193), wk = 0.0023474 k( 366) = ( 0.4166667 0.0479350 -0.0542762), wk = 0.0023474 k( 367) = ( 0.4270833 0.0491334 -0.0556331), wk = 0.0023474 k( 368) = ( 0.4375000 0.0503317 -0.0569900), wk = 0.0023474 k( 369) = ( 0.4479167 0.0515301 -0.0583469), wk = 0.0023474 k( 370) = ( 0.4583333 0.0527285 -0.0597038), wk = 0.0023474 k( 371) = ( 0.4687500 0.0539269 -0.0610607), wk = 0.0023474 k( 372) = ( 0.4791667 0.0551252 -0.0624176), wk = 0.0023474 k( 373) = ( 0.4895833 0.0563236 -0.0637745), wk = 0.0023474 k( 374) = ( 0.5000000 0.0575220 -0.0651314), wk = 0.0023474 k( 375) = ( 0.5000000 0.0575220 0.1891900), wk = 0.0023474 k( 376) = ( 0.4901961 0.0563941 0.1854804), wk = 0.0023474 k( 377) = ( 0.4803922 0.0552662 0.1817708), wk = 0.0023474 k( 378) = ( 0.4705882 0.0541383 0.1780612), wk = 0.0023474 k( 379) = ( 0.4607843 0.0530105 0.1743516), wk = 0.0023474 k( 380) = ( 0.4509804 0.0518826 0.1706420), wk = 0.0023474 k( 381) = ( 0.4411765 0.0507547 0.1669324), wk = 0.0023474 k( 382) = ( 0.4313726 0.0496268 0.1632228), wk = 0.0023474 k( 383) = ( 0.4215686 0.0484989 0.1595132), wk = 0.0023474 k( 384) = ( 0.4117647 0.0473711 0.1558036), wk = 0.0023474 k( 385) = ( 0.4019608 0.0462432 0.1520940), wk = 0.0023474 k( 386) = ( 0.3921569 0.0451153 0.1483843), wk = 0.0023474 k( 387) = ( 0.3823529 0.0439874 0.1446747), wk = 0.0023474 k( 388) = ( 0.3725490 0.0428595 0.1409651), wk = 0.0023474 k( 389) = ( 0.3627451 0.0417316 0.1372555), wk = 0.0023474 k( 390) = ( 0.3529412 0.0406038 0.1335459), wk = 0.0023474 k( 391) = ( 0.3431373 0.0394759 0.1298363), wk = 0.0023474 k( 392) = ( 0.3333333 0.0383480 0.1261267), wk = 0.0023474 k( 393) = ( 0.3235294 0.0372201 0.1224171), wk = 0.0023474 k( 394) = ( 0.3137255 0.0360922 0.1187075), wk = 0.0023474 k( 395) = ( 0.3039216 0.0349643 0.1149979), wk = 0.0023474 k( 396) = ( 0.2941177 0.0338365 0.1112883), wk = 0.0023474 k( 397) = ( 0.2843137 0.0327086 0.1075787), wk = 0.0023474 k( 398) = ( 0.2745098 0.0315807 0.1038690), wk = 0.0023474 k( 399) = ( 0.2647059 0.0304528 0.1001594), wk = 0.0023474 k( 400) = ( 0.2549020 0.0293249 0.0964498), wk = 0.0023474 k( 401) = ( 0.2450980 0.0281971 0.0927402), wk = 0.0023474 k( 402) = ( 0.2352941 0.0270692 0.0890306), wk = 0.0023474 k( 403) = ( 0.2254902 0.0259413 0.0853210), wk = 0.0023474 k( 404) = ( 0.2156863 0.0248134 0.0816114), wk = 0.0023474 k( 405) = ( 0.2058823 0.0236855 0.0779018), wk = 0.0023474 k( 406) = ( 0.1960784 0.0225576 0.0741922), wk = 0.0023474 k( 407) = ( 0.1862745 0.0214298 0.0704826), wk = 0.0023474 k( 408) = ( 0.1764706 0.0203019 0.0667730), wk = 0.0023474 k( 409) = ( 0.1666667 0.0191740 0.0630634), wk = 0.0023474 k( 410) = ( 0.1568627 0.0180461 0.0593537), wk = 0.0023474 k( 411) = ( 0.1470588 0.0169182 0.0556441), wk = 0.0023474 k( 412) = ( 0.1372549 0.0157903 0.0519345), wk = 0.0023474 k( 413) = ( 0.1274510 0.0146625 0.0482249), wk = 0.0023474 k( 414) = ( 0.1176471 0.0135346 0.0445153), wk = 0.0023474 k( 415) = ( 0.1078431 0.0124067 0.0408057), wk = 0.0023474 k( 416) = ( 0.0980392 0.0112788 0.0370961), wk = 0.0023474 k( 417) = ( 0.0882353 0.0101509 0.0333865), wk = 0.0023474 k( 418) = ( 0.0784314 0.0090231 0.0296769), wk = 0.0023474 k( 419) = ( 0.0686275 0.0078952 0.0259673), wk = 0.0023474 k( 420) = ( 0.0588235 0.0067673 0.0222577), wk = 0.0023474 k( 421) = ( 0.0490196 0.0056394 0.0185480), wk = 0.0023474 k( 422) = ( 0.0392157 0.0045115 0.0148384), wk = 0.0023474 k( 423) = ( 0.0294118 0.0033836 0.0111288), wk = 0.0023474 k( 424) = ( 0.0196078 0.0022558 0.0074192), wk = 0.0023474 k( 425) = ( 0.0098039 0.0011279 0.0037096), wk = 0.0023474 k( 426) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0070112 0.0070112 0.0015903), wk = 0.0023474 k( 3) = ( 0.0140224 0.0140224 0.0031807), wk = 0.0023474 k( 4) = ( 0.0210336 0.0210336 0.0047710), wk = 0.0023474 k( 5) = ( 0.0280448 0.0280448 0.0063614), wk = 0.0023474 k( 6) = ( 0.0350560 0.0350560 0.0079517), wk = 0.0023474 k( 7) = ( 0.0420671 0.0420671 0.0095421), wk = 0.0023474 k( 8) = ( 0.0490783 0.0490783 0.0111324), wk = 0.0023474 k( 9) = ( 0.0560895 0.0560895 0.0127227), wk = 0.0023474 k( 10) = ( 0.0631007 0.0631007 0.0143131), wk = 0.0023474 k( 11) = ( 0.0701119 0.0701119 0.0159034), wk = 0.0023474 k( 12) = ( 0.0771231 0.0771231 0.0174938), wk = 0.0023474 k( 13) = ( 0.0841343 0.0841343 0.0190841), wk = 0.0023474 k( 14) = ( 0.0911455 0.0911455 0.0206745), wk = 0.0023474 k( 15) = ( 0.0981567 0.0981567 0.0222648), wk = 0.0023474 k( 16) = ( 0.1051678 0.1051679 0.0238551), wk = 0.0023474 k( 17) = ( 0.1121790 0.1121790 0.0254455), wk = 0.0023474 k( 18) = ( 0.1191902 0.1191902 0.0270358), wk = 0.0023474 k( 19) = ( 0.1262014 0.1262014 0.0286262), wk = 0.0023474 k( 20) = ( 0.1332126 0.1332126 0.0302165), wk = 0.0023474 k( 21) = ( 0.1402238 0.1402238 0.0318069), wk = 0.0023474 k( 22) = ( 0.1472350 0.1472350 0.0333972), wk = 0.0023474 k( 23) = ( 0.1542462 0.1542462 0.0349875), wk = 0.0023474 k( 24) = ( 0.1612574 0.1612574 0.0365779), wk = 0.0023474 k( 25) = ( 0.1682686 0.1682686 0.0381682), wk = 0.0023474 k( 26) = ( 0.1752798 0.1752798 0.0397586), wk = 0.0023474 k( 27) = ( 0.1822909 0.1822909 0.0413489), wk = 0.0023474 k( 28) = ( 0.1893021 0.1893021 0.0429393), wk = 0.0023474 k( 29) = ( 0.1963133 0.1963133 0.0445296), wk = 0.0023474 k( 30) = ( 0.2033245 0.2033245 0.0461199), wk = 0.0023474 k( 31) = ( 0.2103357 0.2103357 0.0477103), wk = 0.0023474 k( 32) = ( 0.2173469 0.2173469 0.0493006), wk = 0.0023474 k( 33) = ( 0.2243581 0.2243581 0.0508910), wk = 0.0023474 k( 34) = ( 0.2313693 0.2313693 0.0524813), wk = 0.0023474 k( 35) = ( 0.2383805 0.2383805 0.0540716), wk = 0.0023474 k( 36) = ( 0.2453916 0.2453917 0.0556620), wk = 0.0023474 k( 37) = ( 0.2524028 0.2524028 0.0572523), wk = 0.0023474 k( 38) = ( 0.2594140 0.2594140 0.0588427), wk = 0.0023474 k( 39) = ( 0.2664252 0.2664252 0.0604330), wk = 0.0023474 k( 40) = ( 0.2734364 0.2734364 0.0620234), wk = 0.0023474 k( 41) = ( 0.2804476 0.2804476 0.0636137), wk = 0.0023474 k( 42) = ( 0.2874588 0.2874588 0.0652040), wk = 0.0023474 k( 43) = ( 0.2944700 0.2944700 0.0667944), wk = 0.0023474 k( 44) = ( 0.3014812 0.3014812 0.0683847), wk = 0.0023474 k( 45) = ( 0.3084924 0.3084924 0.0699751), wk = 0.0023474 k( 46) = ( 0.3155036 0.3155036 0.0715654), wk = 0.0023474 k( 47) = ( 0.3225147 0.3225147 0.0731558), wk = 0.0023474 k( 48) = ( 0.3295259 0.3295259 0.0747461), wk = 0.0023474 k( 49) = ( 0.3365371 0.3365371 0.0763364), wk = 0.0023474 k( 50) = ( 0.3435483 0.3435483 0.0779268), wk = 0.0023474 k( 51) = ( 0.3505595 0.3505595 0.0795171), wk = 0.0023474 k( 52) = ( 0.3575707 0.3575707 0.0811075), wk = 0.0023474 k( 53) = ( 0.3645819 0.3645819 0.0826978), wk = 0.0023474 k( 54) = ( 0.3715931 0.3715931 0.0842882), wk = 0.0023474 k( 55) = ( 0.3786043 0.3786043 0.0858785), wk = 0.0023474 k( 56) = ( 0.3856155 0.3856155 0.0874688), wk = 0.0023474 k( 57) = ( 0.3926266 0.3926266 0.0890592), wk = 0.0023474 k( 58) = ( 0.3996378 0.3996378 0.0906495), wk = 0.0023474 k( 59) = ( 0.4066490 0.4066490 0.0922399), wk = 0.0023474 k( 60) = ( 0.4136602 0.4136602 0.0938302), wk = 0.0023474 k( 61) = ( 0.4206714 0.4206714 0.0954206), wk = 0.0023474 k( 62) = ( 0.4276826 0.4276826 0.0970109), wk = 0.0023474 k( 63) = ( 0.4346938 0.4346938 0.0986012), wk = 0.0023474 k( 64) = ( 0.4417050 0.4417050 0.1001916), wk = 0.0023474 k( 65) = ( 0.4487162 0.4487162 0.1017819), wk = 0.0023474 k( 66) = ( 0.4487162 0.4487162 0.1017819), wk = 0.0023474 k( 67) = ( 0.4499288 0.4499288 0.1230670), wk = 0.0023474 k( 68) = ( 0.4511415 0.4511415 0.1443520), wk = 0.0023474 k( 69) = ( 0.4523541 0.4523541 0.1656371), wk = 0.0023474 k( 70) = ( 0.4535668 0.4535668 0.1869221), wk = 0.0023474 k( 71) = ( 0.4547794 0.4547795 0.2082071), wk = 0.0023474 k( 72) = ( 0.4559921 0.4559921 0.2294922), wk = 0.0023474 k( 73) = ( 0.4572048 0.4572048 0.2507772), wk = 0.0023474 k( 74) = ( 0.4584174 0.4584174 0.2720623), wk = 0.0023474 k( 75) = ( 0.4596301 0.4596301 0.2933473), wk = 0.0023474 k( 76) = ( 0.4608427 0.4608427 0.3146324), wk = 0.0023474 k( 77) = ( 0.4620554 0.4620554 0.3359174), wk = 0.0023474 k( 78) = ( 0.4632680 0.4632680 0.3572024), wk = 0.0023474 k( 79) = ( 0.4644807 0.4644807 0.3784875), wk = 0.0023474 k( 80) = ( 0.4656934 0.4656934 0.3997725), wk = 0.0023474 k( 81) = ( 0.4669060 0.4669060 0.4210576), wk = 0.0023474 k( 82) = ( 0.4681187 0.4681187 0.4423426), wk = 0.0023474 k( 83) = ( 0.4693313 0.4693313 0.4636277), wk = 0.0023474 k( 84) = ( 0.4705440 0.4705440 0.4849127), wk = 0.0023474 k( 85) = ( 0.4705440 0.4705440 0.4849127), wk = 0.0023474 k( 86) = ( 0.4674257 0.4674257 0.5016083), wk = 0.0023474 k( 87) = ( 0.4643075 0.4643075 0.5183039), wk = 0.0023474 k( 88) = ( 0.4611892 0.4611892 0.5349995), wk = 0.0023474 k( 89) = ( 0.4580709 0.4580709 0.5516951), wk = 0.0023474 k( 90) = ( 0.4549527 0.4549527 0.5683907), wk = 0.0023474 k( 91) = ( 0.4518344 0.4518344 0.5850863), wk = 0.0023474 k( 92) = ( 0.4487162 0.4487162 0.6017819), wk = 0.0023474 k( 93) = ( 0.4455979 0.4455979 0.6184775), wk = 0.0023474 k( 94) = ( 0.4424797 0.4424797 0.6351731), wk = 0.0023474 k( 95) = ( 0.4393614 0.4393614 0.6518687), wk = 0.0023474 k( 96) = ( 0.4362431 0.4362431 0.6685643), wk = 0.0023474 k( 97) = ( 0.4331249 0.4331249 0.6852599), wk = 0.0023474 k( 98) = ( 0.4300066 0.4300066 0.7019555), wk = 0.0023474 k( 99) = ( 0.4268884 0.4268884 0.7186511), wk = 0.0023474 k( 100) = ( 0.4268884 0.4268884 0.7186511), wk = 0.0023474 k( 101) = ( 0.4198902 0.4198902 0.7150667), wk = 0.0023474 k( 102) = ( 0.4128920 0.4128920 0.7114822), wk = 0.0023474 k( 103) = ( 0.4058939 0.4058939 0.7078978), wk = 0.0023474 k( 104) = ( 0.3988957 0.3988957 0.7043134), wk = 0.0023474 k( 105) = ( 0.3918975 0.3918975 0.7007289), wk = 0.0023474 k( 106) = ( 0.3848993 0.3848993 0.6971445), wk = 0.0023474 k( 107) = ( 0.3779012 0.3779012 0.6935600), wk = 0.0023474 k( 108) = ( 0.3709030 0.3709030 0.6899756), wk = 0.0023474 k( 109) = ( 0.3639048 0.3639048 0.6863911), wk = 0.0023474 k( 110) = ( 0.3569067 0.3569067 0.6828067), wk = 0.0023474 k( 111) = ( 0.3499085 0.3499085 0.6792222), wk = 0.0023474 k( 112) = ( 0.3429103 0.3429103 0.6756378), wk = 0.0023474 k( 113) = ( 0.3359122 0.3359122 0.6720533), wk = 0.0023474 k( 114) = ( 0.3289140 0.3289140 0.6684689), wk = 0.0023474 k( 115) = ( 0.3219158 0.3219158 0.6648845), wk = 0.0023474 k( 116) = ( 0.3149176 0.3149176 0.6613000), wk = 0.0023474 k( 117) = ( 0.3079195 0.3079195 0.6577156), wk = 0.0023474 k( 118) = ( 0.3009213 0.3009213 0.6541311), wk = 0.0023474 k( 119) = ( 0.2939231 0.2939231 0.6505467), wk = 0.0023474 k( 120) = ( 0.2869250 0.2869250 0.6469622), wk = 0.0023474 k( 121) = ( 0.2799268 0.2799268 0.6433778), wk = 0.0023474 k( 122) = ( 0.2729286 0.2729286 0.6397934), wk = 0.0023474 k( 123) = ( 0.2659304 0.2659304 0.6362089), wk = 0.0023474 k( 124) = ( 0.2589323 0.2589323 0.6326245), wk = 0.0023474 k( 125) = ( 0.2519341 0.2519341 0.6290400), wk = 0.0023474 k( 126) = ( 0.2449359 0.2449359 0.6254556), wk = 0.0023474 k( 127) = ( 0.2379378 0.2379378 0.6218711), wk = 0.0023474 k( 128) = ( 0.2309396 0.2309396 0.6182867), wk = 0.0023474 k( 129) = ( 0.2239414 0.2239414 0.6147022), wk = 0.0023474 k( 130) = ( 0.2169433 0.2169433 0.6111178), wk = 0.0023474 k( 131) = ( 0.2099451 0.2099451 0.6075333), wk = 0.0023474 k( 132) = ( 0.2029469 0.2029469 0.6039489), wk = 0.0023474 k( 133) = ( 0.1959488 0.1959488 0.6003645), wk = 0.0023474 k( 134) = ( 0.1889506 0.1889506 0.5967800), wk = 0.0023474 k( 135) = ( 0.1819524 0.1819524 0.5931956), wk = 0.0023474 k( 136) = ( 0.1749542 0.1749542 0.5896111), wk = 0.0023474 k( 137) = ( 0.1679561 0.1679561 0.5860267), wk = 0.0023474 k( 138) = ( 0.1609579 0.1609579 0.5824422), wk = 0.0023474 k( 139) = ( 0.1539597 0.1539597 0.5788578), wk = 0.0023474 k( 140) = ( 0.1469616 0.1469616 0.5752733), wk = 0.0023474 k( 141) = ( 0.1399634 0.1399634 0.5716889), wk = 0.0023474 k( 142) = ( 0.1329652 0.1329652 0.5681045), wk = 0.0023474 k( 143) = ( 0.1259671 0.1259671 0.5645200), wk = 0.0023474 k( 144) = ( 0.1189689 0.1189689 0.5609356), wk = 0.0023474 k( 145) = ( 0.1119707 0.1119707 0.5573511), wk = 0.0023474 k( 146) = ( 0.1049725 0.1049725 0.5537667), wk = 0.0023474 k( 147) = ( 0.0979744 0.0979744 0.5501822), wk = 0.0023474 k( 148) = ( 0.0909762 0.0909762 0.5465978), wk = 0.0023474 k( 149) = ( 0.0839780 0.0839780 0.5430133), wk = 0.0023474 k( 150) = ( 0.0769799 0.0769799 0.5394289), wk = 0.0023474 k( 151) = ( 0.0699817 0.0699817 0.5358445), wk = 0.0023474 k( 152) = ( 0.0629835 0.0629835 0.5322600), wk = 0.0023474 k( 153) = ( 0.0559854 0.0559854 0.5286756), wk = 0.0023474 k( 154) = ( 0.0489872 0.0489872 0.5250911), wk = 0.0023474 k( 155) = ( 0.0419890 0.0419890 0.5215067), wk = 0.0023474 k( 156) = ( 0.0349908 0.0349909 0.5179222), wk = 0.0023474 k( 157) = ( 0.0279927 0.0279927 0.5143378), wk = 0.0023474 k( 158) = ( 0.0209945 0.0209945 0.5107533), wk = 0.0023474 k( 159) = ( 0.0139963 0.0139963 0.5071689), wk = 0.0023474 k( 160) = ( 0.0069982 0.0069982 0.5035844), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 163) = ( 0.0079365 -0.0079365 0.5000000), wk = 0.0023474 k( 164) = ( 0.0158730 -0.0158730 0.5000000), wk = 0.0023474 k( 165) = ( 0.0238095 -0.0238095 0.5000000), wk = 0.0023474 k( 166) = ( 0.0317460 -0.0317460 0.5000000), wk = 0.0023474 k( 167) = ( 0.0396825 -0.0396825 0.5000000), wk = 0.0023474 k( 168) = ( 0.0476191 -0.0476191 0.5000000), wk = 0.0023474 k( 169) = ( 0.0555556 -0.0555556 0.5000000), wk = 0.0023474 k( 170) = ( 0.0634921 -0.0634921 0.5000000), wk = 0.0023474 k( 171) = ( 0.0714286 -0.0714286 0.5000000), wk = 0.0023474 k( 172) = ( 0.0793651 -0.0793651 0.5000000), wk = 0.0023474 k( 173) = ( 0.0873016 -0.0873016 0.5000000), wk = 0.0023474 k( 174) = ( 0.0952381 -0.0952381 0.5000000), wk = 0.0023474 k( 175) = ( 0.1031746 -0.1031746 0.5000000), wk = 0.0023474 k( 176) = ( 0.1111111 -0.1111111 0.5000000), wk = 0.0023474 k( 177) = ( 0.1190476 -0.1190476 0.5000000), wk = 0.0023474 k( 178) = ( 0.1269841 -0.1269841 0.5000000), wk = 0.0023474 k( 179) = ( 0.1349206 -0.1349206 0.5000000), wk = 0.0023474 k( 180) = ( 0.1428571 -0.1428571 0.5000000), wk = 0.0023474 k( 181) = ( 0.1507937 -0.1507937 0.5000000), wk = 0.0023474 k( 182) = ( 0.1587302 -0.1587302 0.5000000), wk = 0.0023474 k( 183) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0023474 k( 184) = ( 0.1746032 -0.1746032 0.5000000), wk = 0.0023474 k( 185) = ( 0.1825397 -0.1825397 0.5000000), wk = 0.0023474 k( 186) = ( 0.1904762 -0.1904762 0.5000000), wk = 0.0023474 k( 187) = ( 0.1984127 -0.1984127 0.5000000), wk = 0.0023474 k( 188) = ( 0.2063492 -0.2063492 0.5000000), wk = 0.0023474 k( 189) = ( 0.2142857 -0.2142857 0.5000000), wk = 0.0023474 k( 190) = ( 0.2222222 -0.2222222 0.5000000), wk = 0.0023474 k( 191) = ( 0.2301587 -0.2301587 0.5000000), wk = 0.0023474 k( 192) = ( 0.2380952 -0.2380952 0.5000000), wk = 0.0023474 k( 193) = ( 0.2460317 -0.2460317 0.5000000), wk = 0.0023474 k( 194) = ( 0.2539683 -0.2539683 0.5000000), wk = 0.0023474 k( 195) = ( 0.2619048 -0.2619048 0.5000000), wk = 0.0023474 k( 196) = ( 0.2698413 -0.2698413 0.5000000), wk = 0.0023474 k( 197) = ( 0.2777778 -0.2777778 0.5000000), wk = 0.0023474 k( 198) = ( 0.2857143 -0.2857143 0.5000000), wk = 0.0023474 k( 199) = ( 0.2936508 -0.2936508 0.5000000), wk = 0.0023474 k( 200) = ( 0.3015873 -0.3015873 0.5000000), wk = 0.0023474 k( 201) = ( 0.3095238 -0.3095238 0.5000000), wk = 0.0023474 k( 202) = ( 0.3174603 -0.3174603 0.5000000), wk = 0.0023474 k( 203) = ( 0.3253968 -0.3253968 0.5000000), wk = 0.0023474 k( 204) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0023474 k( 205) = ( 0.3412698 -0.3412698 0.5000000), wk = 0.0023474 k( 206) = ( 0.3492063 -0.3492064 0.5000000), wk = 0.0023474 k( 207) = ( 0.3571429 -0.3571429 0.5000000), wk = 0.0023474 k( 208) = ( 0.3650794 -0.3650794 0.5000000), wk = 0.0023474 k( 209) = ( 0.3730159 -0.3730159 0.5000000), wk = 0.0023474 k( 210) = ( 0.3809524 -0.3809524 0.5000000), wk = 0.0023474 k( 211) = ( 0.3888889 -0.3888889 0.5000000), wk = 0.0023474 k( 212) = ( 0.3968254 -0.3968254 0.5000000), wk = 0.0023474 k( 213) = ( 0.4047619 -0.4047619 0.5000000), wk = 0.0023474 k( 214) = ( 0.4126984 -0.4126984 0.5000000), wk = 0.0023474 k( 215) = ( 0.4206349 -0.4206349 0.5000000), wk = 0.0023474 k( 216) = ( 0.4285714 -0.4285714 0.5000000), wk = 0.0023474 k( 217) = ( 0.4365079 -0.4365079 0.5000000), wk = 0.0023474 k( 218) = ( 0.4444444 -0.4444444 0.5000000), wk = 0.0023474 k( 219) = ( 0.4523810 -0.4523810 0.5000000), wk = 0.0023474 k( 220) = ( 0.4603175 -0.4603175 0.5000000), wk = 0.0023474 k( 221) = ( 0.4682540 -0.4682540 0.5000000), wk = 0.0023474 k( 222) = ( 0.4761905 -0.4761905 0.5000000), wk = 0.0023474 k( 223) = ( 0.4841270 -0.4841270 0.5000000), wk = 0.0023474 k( 224) = ( 0.4920635 -0.4920635 0.5000000), wk = 0.0023474 k( 225) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0023474 k( 226) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0023474 k( 227) = ( 0.5058912 -0.4941088 0.5030175), wk = 0.0023474 k( 228) = ( 0.5117824 -0.4882176 0.5060349), wk = 0.0023474 k( 229) = ( 0.5176736 -0.4823264 0.5090524), wk = 0.0023474 k( 230) = ( 0.5235648 -0.4764352 0.5120698), wk = 0.0023474 k( 231) = ( 0.5294560 -0.4705440 0.5150873), wk = 0.0023474 k( 232) = ( 0.5731116 -0.4268884 0.2813489), wk = 0.0023474 k( 233) = ( 0.5718990 -0.4281010 0.2600638), wk = 0.0023474 k( 234) = ( 0.5706863 -0.4293137 0.2387788), wk = 0.0023474 k( 235) = ( 0.5694737 -0.4305263 0.2174937), wk = 0.0023474 k( 236) = ( 0.5682610 -0.4317390 0.1962087), wk = 0.0023474 k( 237) = ( 0.5670484 -0.4329516 0.1749236), wk = 0.0023474 k( 238) = ( 0.5658357 -0.4341643 0.1536386), wk = 0.0023474 k( 239) = ( 0.5646231 -0.4353770 0.1323536), wk = 0.0023474 k( 240) = ( 0.5634104 -0.4365896 0.1110685), wk = 0.0023474 k( 241) = ( 0.5621977 -0.4378023 0.0897835), wk = 0.0023474 k( 242) = ( 0.5609851 -0.4390149 0.0684984), wk = 0.0023474 k( 243) = ( 0.5597724 -0.4402276 0.0472134), wk = 0.0023474 k( 244) = ( 0.5585598 -0.4414402 0.0259283), wk = 0.0023474 k( 245) = ( 0.5573471 -0.4426529 0.0046433), wk = 0.0023474 k( 246) = ( 0.5561345 -0.4438655 -0.0166417), wk = 0.0023474 k( 247) = ( 0.5549218 -0.4450782 -0.0379268), wk = 0.0023474 k( 248) = ( 0.5537091 -0.4462909 -0.0592118), wk = 0.0023474 k( 249) = ( 0.5524965 -0.4475035 -0.0804969), wk = 0.0023474 k( 250) = ( 0.5512838 -0.4487162 -0.1017819), wk = 0.0023474 k( 251) = ( 0.5512838 -0.4487162 -0.1017819), wk = 0.0023474 k( 252) = ( 0.5461554 -0.4538446 -0.0916037), wk = 0.0023474 k( 253) = ( 0.5410271 -0.4589729 -0.0814255), wk = 0.0023474 k( 254) = ( 0.5358987 -0.4641013 -0.0712473), wk = 0.0023474 k( 255) = ( 0.5307703 -0.4692297 -0.0610691), wk = 0.0023474 k( 256) = ( 0.5256419 -0.4743581 -0.0508910), wk = 0.0023474 k( 257) = ( 0.5205135 -0.4794865 -0.0407128), wk = 0.0023474 k( 258) = ( 0.5153851 -0.4846149 -0.0305346), wk = 0.0023474 k( 259) = ( 0.5102568 -0.4897432 -0.0203564), wk = 0.0023474 k( 260) = ( 0.5051284 -0.4948716 -0.0101782), wk = 0.0023474 k( 261) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0023474 k( 262) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0023474 k( 263) = ( 0.4920635 -0.4920635 -0.0000000), wk = 0.0023474 k( 264) = ( 0.4841270 -0.4841270 -0.0000000), wk = 0.0023474 k( 265) = ( 0.4761905 -0.4761905 -0.0000000), wk = 0.0023474 k( 266) = ( 0.4682540 -0.4682540 0.0000000), wk = 0.0023474 k( 267) = ( 0.4603175 -0.4603175 -0.0000000), wk = 0.0023474 k( 268) = ( 0.4523810 -0.4523810 -0.0000000), wk = 0.0023474 k( 269) = ( 0.4444444 -0.4444444 -0.0000000), wk = 0.0023474 k( 270) = ( 0.4365079 -0.4365079 0.0000000), wk = 0.0023474 k( 271) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0023474 k( 272) = ( 0.4206349 -0.4206349 -0.0000000), wk = 0.0023474 k( 273) = ( 0.4126984 -0.4126984 -0.0000000), wk = 0.0023474 k( 274) = ( 0.4047619 -0.4047619 -0.0000000), wk = 0.0023474 k( 275) = ( 0.3968254 -0.3968254 -0.0000000), wk = 0.0023474 k( 276) = ( 0.3888889 -0.3888889 -0.0000000), wk = 0.0023474 k( 277) = ( 0.3809524 -0.3809524 0.0000000), wk = 0.0023474 k( 278) = ( 0.3730159 -0.3730159 -0.0000000), wk = 0.0023474 k( 279) = ( 0.3650794 -0.3650794 -0.0000000), wk = 0.0023474 k( 280) = ( 0.3571429 -0.3571429 -0.0000000), wk = 0.0023474 k( 281) = ( 0.3492063 -0.3492064 -0.0000000), wk = 0.0023474 k( 282) = ( 0.3412698 -0.3412698 -0.0000000), wk = 0.0023474 k( 283) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0023474 k( 284) = ( 0.3253968 -0.3253968 -0.0000000), wk = 0.0023474 k( 285) = ( 0.3174603 -0.3174603 -0.0000000), wk = 0.0023474 k( 286) = ( 0.3095238 -0.3095238 -0.0000000), wk = 0.0023474 k( 287) = ( 0.3015873 -0.3015873 -0.0000000), wk = 0.0023474 k( 288) = ( 0.2936508 -0.2936508 -0.0000000), wk = 0.0023474 k( 289) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0023474 k( 290) = ( 0.2777778 -0.2777778 -0.0000000), wk = 0.0023474 k( 291) = ( 0.2698413 -0.2698413 -0.0000000), wk = 0.0023474 k( 292) = ( 0.2619048 -0.2619048 -0.0000000), wk = 0.0023474 k( 293) = ( 0.2539683 -0.2539683 -0.0000000), wk = 0.0023474 k( 294) = ( 0.2460317 -0.2460317 -0.0000000), wk = 0.0023474 k( 295) = ( 0.2380952 -0.2380952 -0.0000000), wk = 0.0023474 k( 296) = ( 0.2301587 -0.2301587 -0.0000000), wk = 0.0023474 k( 297) = ( 0.2222222 -0.2222222 -0.0000000), wk = 0.0023474 k( 298) = ( 0.2142857 -0.2142857 0.0000000), wk = 0.0023474 k( 299) = ( 0.2063492 -0.2063492 -0.0000000), wk = 0.0023474 k( 300) = ( 0.1984127 -0.1984127 -0.0000000), wk = 0.0023474 k( 301) = ( 0.1904762 -0.1904762 0.0000000), wk = 0.0023474 k( 302) = ( 0.1825397 -0.1825397 -0.0000000), wk = 0.0023474 k( 303) = ( 0.1746032 -0.1746032 -0.0000000), wk = 0.0023474 k( 304) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0023474 k( 305) = ( 0.1587302 -0.1587302 -0.0000000), wk = 0.0023474 k( 306) = ( 0.1507937 -0.1507937 -0.0000000), wk = 0.0023474 k( 307) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0023474 k( 308) = ( 0.1349206 -0.1349206 -0.0000000), wk = 0.0023474 k( 309) = ( 0.1269841 -0.1269841 0.0000000), wk = 0.0023474 k( 310) = ( 0.1190476 -0.1190476 -0.0000000), wk = 0.0023474 k( 311) = ( 0.1111111 -0.1111111 -0.0000000), wk = 0.0023474 k( 312) = ( 0.1031746 -0.1031746 -0.0000000), wk = 0.0023474 k( 313) = ( 0.0952381 -0.0952381 -0.0000000), wk = 0.0023474 k( 314) = ( 0.0873016 -0.0873016 -0.0000000), wk = 0.0023474 k( 315) = ( 0.0793651 -0.0793651 -0.0000000), wk = 0.0023474 k( 316) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0023474 k( 317) = ( 0.0634921 -0.0634921 0.0000000), wk = 0.0023474 k( 318) = ( 0.0555556 -0.0555556 -0.0000000), wk = 0.0023474 k( 319) = ( 0.0476191 -0.0476191 -0.0000000), wk = 0.0023474 k( 320) = ( 0.0396825 -0.0396825 -0.0000000), wk = 0.0023474 k( 321) = ( 0.0317460 -0.0317460 0.0000000), wk = 0.0023474 k( 322) = ( 0.0238095 -0.0238095 -0.0000000), wk = 0.0023474 k( 323) = ( 0.0158730 -0.0158730 -0.0000000), wk = 0.0023474 k( 324) = ( 0.0079365 -0.0079365 -0.0000000), wk = 0.0023474 k( 325) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 327) = ( 0.0104167 0.0000000 0.0000000), wk = 0.0023474 k( 328) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0023474 k( 329) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0023474 k( 330) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0023474 k( 331) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0023474 k( 332) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0023474 k( 333) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0023474 k( 334) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0023474 k( 335) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0023474 k( 336) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0023474 k( 337) = ( 0.1145833 0.0000000 0.0000000), wk = 0.0023474 k( 338) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023474 k( 339) = ( 0.1354167 0.0000000 0.0000000), wk = 0.0023474 k( 340) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0023474 k( 341) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0023474 k( 342) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0023474 k( 343) = ( 0.1770833 -0.0000000 0.0000000), wk = 0.0023474 k( 344) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0023474 k( 345) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0023474 k( 346) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0023474 k( 347) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0023474 k( 348) = ( 0.2291667 -0.0000000 0.0000000), wk = 0.0023474 k( 349) = ( 0.2395833 0.0000000 0.0000000), wk = 0.0023474 k( 350) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023474 k( 351) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0023474 k( 352) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0023474 k( 353) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0023474 k( 354) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0023474 k( 355) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0023474 k( 356) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0023474 k( 357) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0023474 k( 358) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0023474 k( 359) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0023474 k( 360) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0023474 k( 361) = ( 0.3645833 0.0000000 0.0000000), wk = 0.0023474 k( 362) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0023474 k( 363) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0023474 k( 364) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0023474 k( 365) = ( 0.4062500 -0.0000000 0.0000000), wk = 0.0023474 k( 366) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0023474 k( 367) = ( 0.4270833 0.0000000 0.0000000), wk = 0.0023474 k( 368) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0023474 k( 369) = ( 0.4479167 -0.0000000 0.0000000), wk = 0.0023474 k( 370) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0023474 k( 371) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0023474 k( 372) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0023474 k( 373) = ( 0.4895833 0.0000000 0.0000000), wk = 0.0023474 k( 374) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023474 k( 375) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023474 k( 376) = ( 0.4901961 0.0000000 0.4901961), wk = 0.0023474 k( 377) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0023474 k( 378) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0023474 k( 379) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0023474 k( 380) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0023474 k( 381) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0023474 k( 382) = ( 0.4313726 0.0000000 0.4313726), wk = 0.0023474 k( 383) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0023474 k( 384) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0023474 k( 385) = ( 0.4019608 0.0000000 0.4019608), wk = 0.0023474 k( 386) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0023474 k( 387) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0023474 k( 388) = ( 0.3725490 0.0000000 0.3725490), wk = 0.0023474 k( 389) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0023474 k( 390) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0023474 k( 391) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0023474 k( 392) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0023474 k( 393) = ( 0.3235294 0.0000000 0.3235294), wk = 0.0023474 k( 394) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0023474 k( 395) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0023474 k( 396) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0023474 k( 397) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0023474 k( 398) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0023474 k( 399) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0023474 k( 400) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0023474 k( 401) = ( 0.2450980 0.0000000 0.2450980), wk = 0.0023474 k( 402) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0023474 k( 403) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0023474 k( 404) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0023474 k( 405) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0023474 k( 406) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0023474 k( 407) = ( 0.1862745 0.0000000 0.1862745), wk = 0.0023474 k( 408) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0023474 k( 409) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0023474 k( 410) = ( 0.1568627 0.0000000 0.1568627), wk = 0.0023474 k( 411) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0023474 k( 412) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0023474 k( 413) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0023474 k( 414) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0023474 k( 415) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0023474 k( 416) = ( 0.0980392 0.0000000 0.0980392), wk = 0.0023474 k( 417) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0023474 k( 418) = ( 0.0784314 0.0000000 0.0784314), wk = 0.0023474 k( 419) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0023474 k( 420) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0023474 k( 421) = ( 0.0490196 0.0000000 0.0490196), wk = 0.0023474 k( 422) = ( 0.0392157 0.0000000 0.0392157), wk = 0.0023474 k( 423) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0023474 k( 424) = ( 0.0196078 0.0000000 0.0196078), wk = 0.0023474 k( 425) = ( 0.0098039 0.0000000 0.0098039), wk = 0.0023474 k( 426) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 Dense grid: 48991 G-vectors FFT dimensions: ( 40, 40, 75) Smooth grid: 21715 G-vectors FFT dimensions: ( 27, 27, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 122, 34) NL pseudopotentials 0.07 Mb ( 61, 76) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1022) G-vector shells 0.01 Mb ( 987) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 122, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.08 Mb ( 76, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KNO2.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 43.4 secs Computing kpt #: 4 total cpu time spent up to now is 43.9 secs Computing kpt #: 5 total cpu time spent up to now is 44.7 secs Computing kpt #: 6 total cpu time spent up to now is 45.4 secs Computing kpt #: 7 total cpu time spent up to now is 46.0 secs Computing kpt #: 8 total cpu time spent up to now is 46.7 secs Computing kpt #: 9 total cpu time spent up to now is 47.4 secs Computing kpt #: 10 total cpu time spent up to now is 48.1 secs Computing kpt #: 11 total cpu time spent up to now is 48.8 secs Computing kpt #: 12 total cpu time spent up to now is 50.7 secs Computing kpt #: 13 total cpu time spent up to now is 51.6 secs Computing kpt #: 14 total cpu time spent up to now is 52.4 secs Computing kpt #: 15 total cpu time spent up to now is 53.9 secs Computing kpt #: 16 total cpu time spent up to now is 54.6 secs Computing kpt #: 17 total cpu time spent up to now is 55.4 secs Computing kpt #: 18 total cpu time spent up to now is 56.1 secs Computing kpt #: 19 total cpu time spent up to now is 56.9 secs Computing kpt #: 20 total cpu time spent up to now is 57.7 secs Computing kpt #: 21 total cpu time spent up to now is 58.4 secs Computing kpt #: 22 total cpu time spent up to now is 59.1 secs Computing kpt #: 23 total cpu time spent up to now is 59.8 secs Computing kpt #: 24 total cpu time spent up to now is 60.5 secs Computing kpt #: 25 total cpu time spent up to now is 61.2 secs Computing kpt #: 26 total cpu time spent up to now is 62.3 secs Computing kpt #: 27 total cpu time spent up to now is 63.0 secs Computing kpt #: 28 total cpu time spent up to now is 63.9 secs Computing kpt #: 29 total cpu time spent up to now is 64.6 secs Computing kpt #: 30 total cpu time spent up to now is 65.4 secs Computing kpt #: 31 total cpu time spent up to now is 66.1 secs Computing kpt #: 32 total cpu time spent up to now is 66.9 secs Computing kpt #: 33 total cpu time spent up to now is 67.7 secs Computing kpt #: 34 total cpu time spent up to now is 68.5 secs Computing kpt #: 35 total cpu time spent up to now is 69.4 secs Computing kpt #: 36 total cpu time spent up to now is 70.2 secs Computing kpt #: 37 total cpu time spent up to now is 71.0 secs Computing kpt #: 38 total cpu time spent up to now is 71.8 secs Computing kpt #: 39 total cpu time spent up to now is 72.6 secs Computing kpt #: 40 total cpu time spent up to now is 73.4 secs Computing kpt #: 41 total cpu time spent up to now is 74.2 secs Computing kpt #: 42 total cpu time spent up to now is 75.1 secs Computing kpt #: 43 total cpu time spent up to now is 75.9 secs Computing kpt #: 44 total cpu time spent up to now is 76.7 secs Computing kpt #: 45 total cpu time spent up to now is 77.5 secs Computing kpt #: 46 total cpu time spent up to now is 78.3 secs Computing kpt #: 47 total cpu time spent up to now is 79.2 secs Computing kpt #: 48 total cpu time spent up to now is 80.0 secs Computing kpt #: 49 total cpu time spent up to now is 80.9 secs Computing kpt #: 50 total cpu time spent up to now is 81.7 secs Computing kpt #: 51 total cpu time spent up to now is 82.5 secs Computing kpt #: 52 total cpu time spent up to now is 83.3 secs Computing kpt #: 53 total cpu time spent up to now is 84.8 secs Computing kpt #: 54 total cpu time spent up to now is 85.5 secs Computing kpt #: 55 total cpu time spent up to now is 86.5 secs Computing kpt #: 56 total cpu time spent up to now is 87.3 secs Computing kpt #: 57 total cpu time spent up to now is 88.1 secs Computing kpt #: 58 total cpu time spent up to now is 89.8 secs Computing kpt #: 59 total cpu time spent up to now is 90.6 secs Computing kpt #: 60 total cpu time spent up to now is 91.5 secs Computing kpt #: 61 total cpu time spent up to now is 92.5 secs Computing kpt #: 62 total cpu time spent up to now is 93.4 secs Computing kpt #: 63 total cpu time spent up to now is 94.4 secs Computing kpt #: 64 total cpu time spent up to now is 95.3 secs Computing kpt #: 65 total cpu time spent up to now is 97.6 secs Computing kpt #: 66 total cpu time spent up to now is 98.5 secs Computing kpt #: 67 total cpu time spent up to now is 99.4 secs Computing kpt #: 68 total cpu time spent up to now is 100.2 secs Computing kpt #: 69 total cpu time spent up to now is 102.5 secs Computing kpt #: 70 total cpu time spent up to now is 103.3 secs Computing kpt #: 71 total cpu time spent up to now is 104.1 secs Computing kpt #: 72 total cpu time spent up to now is 104.9 secs Computing kpt #: 73 total cpu time spent up to now is 106.3 secs Computing kpt #: 74 total cpu time spent up to now is 107.1 secs Computing kpt #: 75 total cpu time spent up to now is 107.8 secs Computing kpt #: 76 total cpu time spent up to now is 109.4 secs Computing kpt #: 77 total cpu time spent up to now is 110.4 secs Computing kpt #: 78 total cpu time spent up to now is 111.3 secs Computing kpt #: 79 total cpu time spent up to now is 112.1 secs Computing kpt #: 80 total cpu time spent up to now is 113.1 secs Computing kpt #: 81 total cpu time spent up to now is 113.9 secs Computing kpt #: 82 total cpu time spent up to now is 114.6 secs Computing kpt #: 83 total cpu time spent up to now is 115.4 secs Computing kpt #: 84 total cpu time spent up to now is 116.1 secs Computing kpt #: 85 total cpu time spent up to now is 116.9 secs Computing kpt #: 86 total cpu time spent up to now is 117.7 secs Computing kpt #: 87 total cpu time spent up to now is 118.5 secs Computing kpt #: 88 total cpu time spent up to now is 119.2 secs Computing kpt #: 89 total cpu time spent up to now is 120.0 secs Computing kpt #: 90 total cpu time spent up to now is 120.7 secs Computing kpt #: 91 total cpu time spent up to now is 121.5 secs Computing kpt #: 92 total cpu time spent up to now is 122.3 secs Computing kpt #: 93 total cpu time spent up to now is 123.1 secs Computing kpt #: 94 total cpu time spent up to now is 123.8 secs Computing kpt #: 95 total cpu time spent up to now is 124.6 secs Computing kpt #: 96 total cpu time spent up to now is 125.3 secs Computing kpt #: 97 total cpu time spent up to now is 126.1 secs Computing kpt #: 98 total cpu time spent up to now is 126.8 secs Computing kpt #: 99 total cpu time spent up to now is 127.5 secs Computing kpt #: 100 total cpu time spent up to now is 128.4 secs Computing kpt #: 101 total cpu time spent up to now is 129.1 secs Computing kpt #: 102 total cpu time spent up to now is 129.9 secs Computing kpt #: 103 total cpu time spent up to now is 130.7 secs Computing kpt #: 104 total cpu time spent up to now is 131.4 secs Computing kpt #: 105 total cpu time spent up to now is 132.2 secs Computing kpt #: 106 total cpu time spent up to now is 132.9 secs Computing kpt #: 107 total cpu time spent up to now is 133.7 secs Computing kpt #: 108 total cpu time spent up to now is 134.5 secs Computing kpt #: 109 total cpu time spent up to now is 135.9 secs Computing kpt #: 110 total cpu time spent up to now is 136.7 secs Computing kpt #: 111 total cpu time spent up to now is 137.5 secs Computing kpt #: 112 total cpu time spent up to now is 139.0 secs Computing kpt #: 113 total cpu time spent up to now is 140.5 secs Computing kpt #: 114 total cpu time spent up to now is 141.4 secs Computing kpt #: 115 total cpu time spent up to now is 142.3 secs Computing kpt #: 116 total cpu time spent up to now is 143.1 secs Computing kpt #: 117 total cpu time spent up to now is 144.6 secs Computing kpt #: 118 total cpu time spent up to now is 145.4 secs Computing kpt #: 119 total cpu time spent up to now is 146.2 secs Computing kpt #: 120 total cpu time spent up to now is 147.7 secs Computing kpt #: 121 total cpu time spent up to now is 149.9 secs Computing kpt #: 122 total cpu time spent up to now is 150.7 secs Computing kpt #: 123 total cpu time spent up to now is 151.6 secs Computing kpt #: 124 total cpu time spent up to now is 152.4 secs Computing kpt #: 125 total cpu time spent up to now is 153.2 secs Computing kpt #: 126 total cpu time spent up to now is 153.9 secs Computing kpt #: 127 total cpu time spent up to now is 154.9 secs Computing kpt #: 128 total cpu time spent up to now is 155.7 secs Computing kpt #: 129 total cpu time spent up to now is 156.5 secs Computing kpt #: 130 total cpu time spent up to now is 157.2 secs Computing kpt #: 131 total cpu time spent up to now is 158.0 secs Computing kpt #: 132 total cpu time spent up to now is 158.8 secs Computing kpt #: 133 total cpu time spent up to now is 159.6 secs Computing kpt #: 134 total cpu time spent up to now is 160.3 secs Computing kpt #: 135 total cpu time spent up to now is 161.0 secs Computing kpt #: 136 total cpu time spent up to now is 161.8 secs Computing kpt #: 137 total cpu time spent up to now is 162.5 secs Computing kpt #: 138 total cpu time spent up to now is 163.3 secs Computing kpt #: 139 total cpu time spent up to now is 164.0 secs Computing kpt #: 140 total cpu time spent up to now is 164.7 secs Computing kpt #: 141 total cpu time spent up to now is 165.4 secs Computing kpt #: 142 total cpu time spent up to now is 166.2 secs Computing kpt #: 143 total cpu time spent up to now is 166.9 secs Computing kpt #: 144 total cpu time spent up to now is 167.7 secs Computing kpt #: 145 total cpu time spent up to now is 168.4 secs Computing kpt #: 146 total cpu time spent up to now is 169.2 secs Computing kpt #: 147 total cpu time spent up to now is 169.9 secs Computing kpt #: 148 total cpu time spent up to now is 170.6 secs Computing kpt #: 149 total cpu time spent up to now is 171.4 secs Computing kpt #: 150 total cpu time spent up to now is 172.1 secs Computing kpt #: 151 total cpu time spent up to now is 172.7 secs Computing kpt #: 152 total cpu time spent up to now is 173.4 secs Computing kpt #: 153 total cpu time spent up to now is 174.0 secs Computing kpt #: 154 total cpu time spent up to now is 174.6 secs Computing kpt #: 155 total cpu time spent up to now is 175.3 secs Computing kpt #: 156 total cpu time spent up to now is 176.0 secs Computing kpt #: 157 total cpu time spent up to now is 176.6 secs Computing kpt #: 158 total cpu time spent up to now is 177.3 secs Computing kpt #: 159 total cpu time spent up to now is 177.9 secs Computing kpt #: 160 total cpu time spent up to now is 178.6 secs Computing kpt #: 161 total cpu time spent up to now is 179.2 secs Computing kpt #: 162 total cpu time spent up to now is 179.9 secs Computing kpt #: 163 total cpu time spent up to now is 180.5 secs Computing kpt #: 164 total cpu time spent up to now is 181.1 secs Computing kpt #: 165 total cpu time spent up to now is 181.7 secs Computing kpt #: 166 total cpu time spent up to now is 182.4 secs Computing kpt #: 167 total cpu time spent up to now is 183.0 secs Computing kpt #: 168 total cpu time spent up to now is 183.7 secs Computing kpt #: 169 total cpu time spent up to now is 184.3 secs Computing kpt #: 170 total cpu time spent up to now is 187.1 secs Computing kpt #: 171 total cpu time spent up to now is 187.8 secs Computing kpt #: 172 total cpu time spent up to now is 188.6 secs Computing kpt #: 173 total cpu time spent up to now is 189.3 secs Computing kpt #: 174 total cpu time spent up to now is 189.9 secs Computing kpt #: 175 total cpu time spent up to now is 190.7 secs Computing kpt #: 176 total cpu time spent up to now is 191.4 secs Computing kpt #: 177 total cpu time spent up to now is 192.1 secs Computing kpt #: 178 total cpu time spent up to now is 192.8 secs Computing kpt #: 179 total cpu time spent up to now is 193.6 secs Computing kpt #: 180 total cpu time spent up to now is 194.5 secs Computing kpt #: 181 total cpu time spent up to now is 195.3 secs Computing kpt #: 182 total cpu time spent up to now is 196.1 secs Computing kpt #: 183 total cpu time spent up to now is 197.0 secs Computing kpt #: 184 total cpu time spent up to now is 197.8 secs Computing kpt #: 185 total cpu time spent up to now is 198.6 secs Computing kpt #: 186 total cpu time spent up to now is 199.4 secs Computing kpt #: 187 total cpu time spent up to now is 200.3 secs Computing kpt #: 188 total cpu time spent up to now is 201.1 secs Computing kpt #: 189 total cpu time spent up to now is 202.0 secs Computing kpt #: 190 total cpu time spent up to now is 202.9 secs Computing kpt #: 191 total cpu time spent up to now is 203.8 secs Computing kpt #: 192 total cpu time spent up to now is 204.6 secs Computing kpt #: 193 total cpu time spent up to now is 205.5 secs Computing kpt #: 194 total cpu time spent up to now is 206.3 secs Computing kpt #: 195 total cpu time spent up to now is 207.6 secs Computing kpt #: 196 total cpu time spent up to now is 208.5 secs Computing kpt #: 197 total cpu time spent up to now is 209.3 secs Computing kpt #: 198 total cpu time spent up to now is 210.1 secs Computing kpt #: 199 total cpu time spent up to now is 211.0 secs Computing kpt #: 200 total cpu time spent up to now is 212.0 secs Computing kpt #: 201 total cpu time spent up to now is 213.0 secs Computing kpt #: 202 total cpu time spent up to now is 213.9 secs Computing kpt #: 203 total cpu time spent up to now is 214.7 secs Computing kpt #: 204 total cpu time spent up to now is 215.6 secs Computing kpt #: 205 total cpu time spent up to now is 216.5 secs Computing kpt #: 206 total cpu time spent up to now is 217.4 secs Computing kpt #: 207 total cpu time spent up to now is 218.4 secs Computing kpt #: 208 total cpu time spent up to now is 220.5 secs Computing kpt #: 209 total cpu time spent up to now is 221.4 secs Computing kpt #: 210 total cpu time spent up to now is 223.0 secs Computing kpt #: 211 total cpu time spent up to now is 223.9 secs Computing kpt #: 212 total cpu time spent up to now is 224.8 secs Computing kpt #: 213 total cpu time spent up to now is 225.7 secs Computing kpt #: 214 total cpu time spent up to now is 226.5 secs Computing kpt #: 215 total cpu time spent up to now is 227.3 secs Computing kpt #: 216 total cpu time spent up to now is 228.0 secs Computing kpt #: 217 total cpu time spent up to now is 228.8 secs Computing kpt #: 218 total cpu time spent up to now is 229.5 secs Computing kpt #: 219 total cpu time spent up to now is 230.3 secs Computing kpt #: 220 total cpu time spent up to now is 231.2 secs Computing kpt #: 221 total cpu time spent up to now is 231.9 secs Computing kpt #: 222 total cpu time spent up to now is 232.7 secs Computing kpt #: 223 total cpu time spent up to now is 233.4 secs Computing kpt #: 224 total cpu time spent up to now is 235.6 secs Computing kpt #: 225 total cpu time spent up to now is 236.4 secs Computing kpt #: 226 total cpu time spent up to now is 237.1 secs Computing kpt #: 227 total cpu time spent up to now is 237.9 secs Computing kpt #: 228 total cpu time spent up to now is 238.7 secs Computing kpt #: 229 total cpu time spent up to now is 239.4 secs Computing kpt #: 230 total cpu time spent up to now is 240.2 secs Computing kpt #: 231 total cpu time spent up to now is 240.9 secs Computing kpt #: 232 total cpu time spent up to now is 241.6 secs Computing kpt #: 233 total cpu time spent up to now is 242.5 secs Computing kpt #: 234 total cpu time spent up to now is 243.2 secs Computing kpt #: 235 total cpu time spent up to now is 244.0 secs Computing kpt #: 236 total cpu time spent up to now is 244.8 secs Computing kpt #: 237 total cpu time spent up to now is 245.6 secs Computing kpt #: 238 total cpu time spent up to now is 246.3 secs Computing kpt #: 239 total cpu time spent up to now is 247.0 secs Computing kpt #: 240 total cpu time spent up to now is 247.9 secs Computing kpt #: 241 total cpu time spent up to now is 248.7 secs Computing kpt #: 242 total cpu time spent up to now is 249.5 secs Computing kpt #: 243 total cpu time spent up to now is 250.4 secs Computing kpt #: 244 total cpu time spent up to now is 251.2 secs Computing kpt #: 245 total cpu time spent up to now is 252.0 secs Computing kpt #: 246 total cpu time spent up to now is 252.7 secs Computing kpt #: 247 total cpu time spent up to now is 253.5 secs Computing kpt #: 248 total cpu time spent up to now is 254.3 secs Computing kpt #: 249 total cpu time spent up to now is 255.1 secs Computing kpt #: 250 total cpu time spent up to now is 256.0 secs Computing kpt #: 251 total cpu time spent up to now is 256.7 secs Computing kpt #: 252 total cpu time spent up to now is 257.5 secs Computing kpt #: 253 total cpu time spent up to now is 258.3 secs Computing kpt #: 254 total cpu time spent up to now is 259.1 secs Computing kpt #: 255 total cpu time spent up to now is 259.9 secs Computing kpt #: 256 total cpu time spent up to now is 260.7 secs Computing kpt #: 257 total cpu time spent up to now is 261.9 secs Computing kpt #: 258 total cpu time spent up to now is 263.6 secs Computing kpt #: 259 total cpu time spent up to now is 264.3 secs Computing kpt #: 260 total cpu time spent up to now is 265.1 secs Computing kpt #: 261 total cpu time spent up to now is 266.6 secs Computing kpt #: 262 total cpu time spent up to now is 267.4 secs Computing kpt #: 263 total cpu time spent up to now is 268.2 secs Computing kpt #: 264 total cpu time spent up to now is 269.0 secs Computing kpt #: 265 total cpu time spent up to now is 269.7 secs Computing kpt #: 266 total cpu time spent up to now is 271.3 secs Computing kpt #: 267 total cpu time spent up to now is 272.2 secs Computing kpt #: 268 total cpu time spent up to now is 273.2 secs Computing kpt #: 269 total cpu time spent up to now is 274.1 secs Computing kpt #: 270 total cpu time spent up to now is 274.9 secs Computing kpt #: 271 total cpu time spent up to now is 275.9 secs Computing kpt #: 272 total cpu time spent up to now is 276.7 secs Computing kpt #: 273 total cpu time spent up to now is 279.7 secs Computing kpt #: 274 total cpu time spent up to now is 280.6 secs Computing kpt #: 275 total cpu time spent up to now is 281.6 secs Computing kpt #: 276 total cpu time spent up to now is 282.4 secs Computing kpt #: 277 total cpu time spent up to now is 283.3 secs Computing kpt #: 278 total cpu time spent up to now is 284.1 secs Computing kpt #: 279 total cpu time spent up to now is 285.0 secs Computing kpt #: 280 total cpu time spent up to now is 285.9 secs Computing kpt #: 281 total cpu time spent up to now is 286.7 secs Computing kpt #: 282 total cpu time spent up to now is 287.5 secs Computing kpt #: 283 total cpu time spent up to now is 288.4 secs Computing kpt #: 284 total cpu time spent up to now is 289.2 secs Computing kpt #: 285 total cpu time spent up to now is 290.0 secs Computing kpt #: 286 total cpu time spent up to now is 292.3 secs Computing kpt #: 287 total cpu time spent up to now is 293.1 secs Computing kpt #: 288 total cpu time spent up to now is 294.0 secs Computing kpt #: 289 total cpu time spent up to now is 294.9 secs Computing kpt #: 290 total cpu time spent up to now is 295.7 secs Computing kpt #: 291 total cpu time spent up to now is 296.6 secs Computing kpt #: 292 total cpu time spent up to now is 297.5 secs Computing kpt #: 293 total cpu time spent up to now is 298.4 secs Computing kpt #: 294 total cpu time spent up to now is 299.3 secs Computing kpt #: 295 total cpu time spent up to now is 300.2 secs Computing kpt #: 296 total cpu time spent up to now is 301.0 secs Computing kpt #: 297 total cpu time spent up to now is 302.1 secs Computing kpt #: 298 total cpu time spent up to now is 302.9 secs Computing kpt #: 299 total cpu time spent up to now is 303.7 secs Computing kpt #: 300 total cpu time spent up to now is 304.5 secs Computing kpt #: 301 total cpu time spent up to now is 305.2 secs Computing kpt #: 302 total cpu time spent up to now is 306.0 secs Computing kpt #: 303 total cpu time spent up to now is 306.7 secs Computing kpt #: 304 total cpu time spent up to now is 307.4 secs Computing kpt #: 305 total cpu time spent up to now is 308.1 secs Computing kpt #: 306 total cpu time spent up to now is 308.9 secs Computing kpt #: 307 total cpu time spent up to now is 309.7 secs Computing kpt #: 308 total cpu time spent up to now is 310.4 secs Computing kpt #: 309 total cpu time spent up to now is 311.0 secs Computing kpt #: 310 total cpu time spent up to now is 311.7 secs Computing kpt #: 311 total cpu time spent up to now is 312.4 secs Computing kpt #: 312 total cpu time spent up to now is 313.4 secs Computing kpt #: 313 total cpu time spent up to now is 314.5 secs Computing kpt #: 314 total cpu time spent up to now is 316.8 secs Computing kpt #: 315 total cpu time spent up to now is 317.8 secs Computing kpt #: 316 total cpu time spent up to now is 318.9 secs Computing kpt #: 317 total cpu time spent up to now is 320.4 secs Computing kpt #: 318 total cpu time spent up to now is 321.2 secs Computing kpt #: 319 total cpu time spent up to now is 322.1 secs Computing kpt #: 320 total cpu time spent up to now is 323.0 secs Computing kpt #: 321 total cpu time spent up to now is 323.7 secs Computing kpt #: 322 total cpu time spent up to now is 324.4 secs Computing kpt #: 323 total cpu time spent up to now is 325.2 secs Computing kpt #: 324 total cpu time spent up to now is 325.9 secs Computing kpt #: 325 total cpu time spent up to now is 326.6 secs Computing kpt #: 326 total cpu time spent up to now is 327.2 secs Computing kpt #: 327 total cpu time spent up to now is 328.1 secs Computing kpt #: 328 total cpu time spent up to now is 328.8 secs Computing kpt #: 329 total cpu time spent up to now is 329.5 secs Computing kpt #: 330 total cpu time spent up to now is 330.1 secs Computing kpt #: 331 total cpu time spent up to now is 330.7 secs Computing kpt #: 332 total cpu time spent up to now is 333.4 secs Computing kpt #: 333 total cpu time spent up to now is 334.1 secs Computing kpt #: 334 total cpu time spent up to now is 334.8 secs Computing kpt #: 335 total cpu time spent up to now is 335.5 secs Computing kpt #: 336 total cpu time spent up to now is 336.2 secs Computing kpt #: 337 total cpu time spent up to now is 336.8 secs Computing kpt #: 338 total cpu time spent up to now is 337.5 secs Computing kpt #: 339 total cpu time spent up to now is 338.3 secs Computing kpt #: 340 total cpu time spent up to now is 339.0 secs Computing kpt #: 341 total cpu time spent up to now is 339.8 secs Computing kpt #: 342 total cpu time spent up to now is 340.5 secs Computing kpt #: 343 total cpu time spent up to now is 341.3 secs Computing kpt #: 344 total cpu time spent up to now is 342.0 secs Computing kpt #: 345 total cpu time spent up to now is 342.8 secs Computing kpt #: 346 total cpu time spent up to now is 343.5 secs Computing kpt #: 347 total cpu time spent up to now is 344.3 secs Computing kpt #: 348 total cpu time spent up to now is 345.1 secs Computing kpt #: 349 total cpu time spent up to now is 345.9 secs Computing kpt #: 350 total cpu time spent up to now is 346.7 secs Computing kpt #: 351 total cpu time spent up to now is 347.5 secs Computing kpt #: 352 total cpu time spent up to now is 348.2 secs Computing kpt #: 353 total cpu time spent up to now is 349.0 secs Computing kpt #: 354 total cpu time spent up to now is 349.9 secs Computing kpt #: 355 total cpu time spent up to now is 350.7 secs Computing kpt #: 356 total cpu time spent up to now is 351.6 secs Computing kpt #: 357 total cpu time spent up to now is 352.4 secs Computing kpt #: 358 total cpu time spent up to now is 353.1 secs Computing kpt #: 359 total cpu time spent up to now is 353.9 secs Computing kpt #: 360 total cpu time spent up to now is 354.7 secs Computing kpt #: 361 total cpu time spent up to now is 355.5 secs Computing kpt #: 362 total cpu time spent up to now is 356.2 secs Computing kpt #: 363 total cpu time spent up to now is 357.0 secs Computing kpt #: 364 total cpu time spent up to now is 357.8 secs Computing kpt #: 365 total cpu time spent up to now is 358.6 secs Computing kpt #: 366 total cpu time spent up to now is 359.2 secs Computing kpt #: 367 total cpu time spent up to now is 360.0 secs Computing kpt #: 368 total cpu time spent up to now is 360.7 secs Computing kpt #: 369 total cpu time spent up to now is 361.4 secs Computing kpt #: 370 total cpu time spent up to now is 362.2 secs Computing kpt #: 371 total cpu time spent up to now is 363.0 secs Computing kpt #: 372 total cpu time spent up to now is 363.7 secs Computing kpt #: 373 total cpu time spent up to now is 364.5 secs Computing kpt #: 374 total cpu time spent up to now is 365.1 secs Computing kpt #: 375 total cpu time spent up to now is 365.8 secs Computing kpt #: 376 total cpu time spent up to now is 366.5 secs Computing kpt #: 377 total cpu time spent up to now is 367.2 secs Computing kpt #: 378 total cpu time spent up to now is 368.1 secs Computing kpt #: 379 total cpu time spent up to now is 368.9 secs Computing kpt #: 380 total cpu time spent up to now is 369.8 secs Computing kpt #: 381 total cpu time spent up to now is 370.5 secs Computing kpt #: 382 total cpu time spent up to now is 371.1 secs Computing kpt #: 383 total cpu time spent up to now is 371.8 secs Computing kpt #: 384 total cpu time spent up to now is 372.5 secs Computing kpt #: 385 total cpu time spent up to now is 373.0 secs Computing kpt #: 386 total cpu time spent up to now is 373.8 secs Computing kpt #: 387 total cpu time spent up to now is 374.5 secs Computing kpt #: 388 total cpu time spent up to now is 375.2 secs Computing kpt #: 389 total cpu time spent up to now is 376.0 secs Computing kpt #: 390 total cpu time spent up to now is 376.8 secs Computing kpt #: 391 total cpu time spent up to now is 377.5 secs Computing kpt #: 392 total cpu time spent up to now is 378.3 secs Computing kpt #: 393 total cpu time spent up to now is 379.1 secs Computing kpt #: 394 total cpu time spent up to now is 379.9 secs Computing kpt #: 395 total cpu time spent up to now is 380.8 secs Computing kpt #: 396 total cpu time spent up to now is 381.7 secs Computing kpt #: 397 total cpu time spent up to now is 382.6 secs Computing kpt #: 398 total cpu time spent up to now is 383.3 secs Computing kpt #: 399 total cpu time spent up to now is 384.1 secs Computing kpt #: 400 total cpu time spent up to now is 384.9 secs Computing kpt #: 401 total cpu time spent up to now is 385.7 secs Computing kpt #: 402 total cpu time spent up to now is 386.5 secs Computing kpt #: 403 total cpu time spent up to now is 387.4 secs Computing kpt #: 404 total cpu time spent up to now is 388.2 secs Computing kpt #: 405 total cpu time spent up to now is 388.9 secs Computing kpt #: 406 total cpu time spent up to now is 389.7 secs Computing kpt #: 407 total cpu time spent up to now is 391.1 secs Computing kpt #: 408 total cpu time spent up to now is 391.9 secs Computing kpt #: 409 total cpu time spent up to now is 392.7 secs Computing kpt #: 410 total cpu time spent up to now is 393.4 secs Computing kpt #: 411 total cpu time spent up to now is 394.8 secs Computing kpt #: 412 total cpu time spent up to now is 395.5 secs Computing kpt #: 413 total cpu time spent up to now is 397.1 secs Computing kpt #: 414 total cpu time spent up to now is 397.8 secs Computing kpt #: 415 total cpu time spent up to now is 398.5 secs Computing kpt #: 416 total cpu time spent up to now is 399.2 secs Computing kpt #: 417 total cpu time spent up to now is 399.8 secs Computing kpt #: 418 total cpu time spent up to now is 400.5 secs Computing kpt #: 419 total cpu time spent up to now is 401.2 secs Computing kpt #: 420 total cpu time spent up to now is 401.8 secs Computing kpt #: 421 total cpu time spent up to now is 402.4 secs Computing kpt #: 422 total cpu time spent up to now is 403.1 secs Computing kpt #: 423 total cpu time spent up to now is 403.8 secs Computing kpt #: 424 total cpu time spent up to now is 404.4 secs Computing kpt #: 425 total cpu time spent up to now is 405.1 secs Computing kpt #: 426 total cpu time spent up to now is 405.7 secs ethr = 3.85E-11, avg # of iterations = 31.1 total cpu time spent up to now is 405.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2717 PWs) bands (ev): -28.5384 -28.5384 -24.3893 -24.3893 -17.2607 -17.2607 -11.9683 -11.9683 -11.7137 -11.7137 -11.6721 -11.6721 -6.1070 -6.1070 -4.3061 -4.3061 -3.5301 -3.5301 -2.5225 -2.5225 0.2803 0.2803 2.4711 2.4711 3.8853 3.8853 4.4020 4.4020 7.1510 7.1510 7.8154 7.8154 9.3771 9.3771 k = 0.0070 0.0079-0.0010 ( 2719 PWs) bands (ev): -28.5383 -28.5383 -24.3892 -24.3892 -17.2610 -17.2610 -11.9685 -11.9685 -11.7139 -11.7139 -11.6724 -11.6724 -6.1070 -6.1069 -4.3081 -4.3072 -3.5288 -3.5280 -2.5238 -2.5234 0.2821 0.2826 2.4723 2.4724 3.8852 3.8854 4.4027 4.4030 7.1518 7.1518 7.8141 7.8141 9.3766 9.3775 k = 0.0140 0.0157-0.0020 ( 2717 PWs) bands (ev): -28.5381 -28.5381 -24.3888 -24.3888 -17.2619 -17.2619 -11.9691 -11.9691 -11.7145 -11.7144 -11.6731 -11.6731 -6.1067 -6.1064 -4.3133 -4.3115 -3.5242 -3.5227 -2.5272 -2.5265 0.2878 0.2890 2.4762 2.4763 3.8850 3.8854 4.4054 4.4059 7.1541 7.1541 7.8102 7.8103 9.3760 9.3777 k = 0.0210 0.0236-0.0031 ( 2711 PWs) bands (ev): -28.5377 -28.5377 -24.3880 -24.3880 -17.2635 -17.2635 -11.9702 -11.9701 -11.7153 -11.7152 -11.6744 -11.6744 -6.1062 -6.1058 -4.3214 -4.3188 -3.5165 -3.5142 -2.5327 -2.5317 0.2975 0.2993 2.4826 2.4827 3.8847 3.8854 4.4099 4.4107 7.1579 7.1580 7.8039 7.8041 9.3753 9.3778 k = 0.0280 0.0315-0.0041 ( 2701 PWs) bands (ev): -28.5371 -28.5371 -24.3870 -24.3870 -17.2657 -17.2656 -11.9716 -11.9714 -11.7165 -11.7164 -11.6761 -11.6760 -6.1054 -6.1049 -4.3323 -4.3288 -3.5058 -3.5029 -2.5403 -2.5389 0.3112 0.3135 2.4915 2.4916 3.8843 3.8853 4.4163 4.4174 7.1633 7.1634 7.7952 7.7954 9.3745 9.3777 k = 0.0351 0.0393-0.0051 ( 2699 PWs) bands (ev): -28.5364 -28.5364 -24.3857 -24.3857 -17.2685 -17.2684 -11.9735 -11.9733 -11.7182 -11.7180 -11.6781 -11.6781 -6.1044 -6.1038 -4.3456 -4.3414 -3.4925 -3.4890 -2.5498 -2.5481 0.3287 0.3316 2.5028 2.5030 3.8839 3.8851 4.4246 4.4260 7.1702 7.1703 7.7842 7.7844 9.3734 9.3774 k = 0.0421 0.0472-0.0061 ( 2701 PWs) bands (ev): -28.5355 -28.5355 -24.3841 -24.3841 -17.2719 -17.2718 -11.9758 -11.9756 -11.7203 -11.7201 -11.6805 -11.6805 -6.1032 -6.1024 -4.3610 -4.3561 -3.4769 -3.4728 -2.5613 -2.5593 0.3499 0.3533 2.5165 2.5168 3.8834 3.8849 4.4348 4.4365 7.1787 7.1788 7.7711 7.7712 9.3722 9.3769 k = 0.0491 0.0550-0.0071 ( 2696 PWs) bands (ev): -28.5345 -28.5345 -24.3823 -24.3823 -17.2758 -17.2758 -11.9786 -11.9783 -11.7229 -11.7227 -11.6831 -11.6831 -6.1018 -6.1009 -4.3781 -4.3727 -3.4593 -3.4548 -2.5746 -2.5722 0.3747 0.3787 2.5325 2.5328 3.8829 3.8846 4.4469 4.4489 7.1887 7.1888 7.7559 7.7560 9.3708 9.3761 k = 0.0561 0.0629-0.0081 ( 2696 PWs) bands (ev): -28.5333 -28.5333 -24.3802 -24.3801 -17.2804 -17.2803 -11.9818 -11.9815 -11.7261 -11.7259 -11.6858 -11.6858 -6.1002 -6.0991 -4.3968 -4.3908 -3.4401 -3.4351 -2.5895 -2.5869 0.4030 0.4075 2.5507 2.5510 3.8823 3.8843 4.4611 4.4634 7.2003 7.2004 7.7389 7.7389 9.3691 9.3749 k = 0.0631 0.0708-0.0092 ( 2695 PWs) bands (ev): -28.5320 -28.5320 -24.3777 -24.3777 -17.2856 -17.2855 -11.9855 -11.9852 -11.7300 -11.7298 -11.6884 -11.6884 -6.0983 -6.0971 -4.4166 -4.4101 -3.4195 -3.4142 -2.6060 -2.6031 0.4346 0.4396 2.5709 2.5712 3.8817 3.8839 4.4772 4.4798 7.2134 7.2135 7.7202 7.7203 9.3670 9.3733 k = 0.0701 0.0786-0.0102 ( 2694 PWs) bands (ev): -28.5305 -28.5305 -24.3751 -24.3751 -17.2913 -17.2912 -11.9897 -11.9894 -11.7347 -11.7344 -11.6909 -11.6909 -6.0963 -6.0949 -4.4372 -4.4303 -3.3980 -3.3924 -2.6239 -2.6208 0.4693 0.4748 2.5930 2.5933 3.8811 3.8835 4.4954 4.4983 7.2280 7.2281 7.7000 7.7002 9.3646 9.3712 k = 0.0771 0.0865-0.0112 ( 2692 PWs) bands (ev): -28.5289 -28.5289 -24.3721 -24.3721 -17.2976 -17.2975 -11.9944 -11.9940 -11.7401 -11.7398 -11.6932 -11.6932 -6.0940 -6.0925 -4.4585 -4.4512 -3.3756 -3.3698 -2.6430 -2.6397 0.5071 0.5130 2.6168 2.6172 3.8804 3.8831 4.5157 4.5190 7.2442 7.2444 7.6786 7.6789 9.3617 9.3686 k = 0.0841 0.0944-0.0122 ( 2691 PWs) bands (ev): -28.5272 -28.5272 -24.3689 -24.3689 -17.3044 -17.3043 -11.9996 -11.9992 -11.7463 -11.7460 -11.6952 -11.6951 -6.0916 -6.0900 -4.4802 -4.4725 -3.3527 -3.3467 -2.6634 -2.6599 0.5477 0.5540 2.6422 2.6426 3.8797 3.8826 4.5381 4.5417 7.2620 7.2621 7.6561 7.6566 9.3581 9.3653 k = 0.0911 0.1022-0.0132 ( 2693 PWs) bands (ev): -28.5253 -28.5253 -24.3655 -24.3655 -17.3118 -17.3116 -12.0053 -12.0049 -11.7533 -11.7531 -11.6968 -11.6967 -6.0890 -6.0872 -4.5021 -4.4941 -3.3296 -3.3234 -2.6848 -2.6811 0.5909 0.5977 2.6690 2.6694 3.8789 3.8821 4.5627 4.5666 7.2813 7.2814 7.6327 7.6334 9.3539 9.3613 k = 0.0982 0.1101-0.0142 ( 2699 PWs) bands (ev): -28.5233 -28.5233 -24.3618 -24.3618 -17.3196 -17.3195 -12.0115 -12.0111 -11.7611 -11.7609 -11.6981 -11.6980 -6.0862 -6.0843 -4.5240 -4.5158 -3.3064 -3.2999 -2.7070 -2.7032 0.6366 0.6437 2.6970 2.6974 3.8782 3.8817 4.5895 4.5938 7.3021 7.3023 7.6087 7.6097 9.3489 9.3564 k = 0.1052 0.1180-0.0153 ( 2697 PWs) bands (ev): -28.5211 -28.5211 -24.3579 -24.3579 -17.3280 -17.3278 -12.0182 -12.0178 -11.7696 -11.7694 -11.6990 -11.6989 -6.0833 -6.0812 -4.5459 -4.5373 -3.2832 -3.2766 -2.7301 -2.7261 0.6846 0.6921 2.7260 2.7264 3.8775 3.8812 4.6186 4.6232 7.3246 7.3247 7.5843 7.5855 9.3430 9.3505 k = 0.1122 0.1258-0.0163 ( 2701 PWs) bands (ev): -28.5188 -28.5188 -24.3537 -24.3537 -17.3368 -17.3367 -12.0255 -12.0250 -11.7787 -11.7785 -11.6996 -11.6995 -6.0802 -6.0779 -4.5674 -4.5586 -3.2603 -3.2536 -2.7538 -2.7497 0.7347 0.7426 2.7559 2.7563 3.8768 3.8808 4.6500 4.6549 7.3485 7.3487 7.5596 7.5610 9.3361 9.3437 k = 0.1192 0.1337-0.0173 ( 2704 PWs) bands (ev): -28.5165 -28.5164 -24.3494 -24.3493 -17.3461 -17.3459 -12.0332 -12.0327 -11.7885 -11.7883 -11.6999 -11.6997 -6.0769 -6.0745 -4.5886 -4.5796 -3.2377 -3.2310 -2.7781 -2.7739 0.7868 0.7951 2.7863 2.7867 3.8761 3.8804 4.6836 4.6889 7.3740 7.3742 7.5348 7.5365 9.3282 9.3357 k = 0.1262 0.1416-0.0183 ( 2699 PWs) bands (ev): -28.5139 -28.5139 -24.3448 -24.3447 -17.3558 -17.3556 -12.0413 -12.0409 -11.7987 -11.7986 -11.6998 -11.6996 -6.0734 -6.0709 -4.6094 -4.6001 -3.2156 -3.2088 -2.8028 -2.7985 0.8407 0.8494 2.8171 2.8175 3.8755 3.8800 4.7196 4.7253 7.4011 7.4012 7.5102 7.5121 9.3191 9.3265 k = 0.1332 0.1494-0.0193 ( 2695 PWs) bands (ev): -28.5113 -28.5113 -24.3400 -24.3400 -17.3659 -17.3657 -12.0499 -12.0495 -11.8095 -11.8094 -11.6995 -11.6993 -6.0698 -6.0672 -4.6296 -4.6201 -3.1942 -3.1873 -2.8278 -2.8235 0.8962 0.9053 2.8481 2.8485 3.8749 3.8797 4.7579 4.7639 7.4296 7.4297 7.4859 7.4880 9.3088 9.3161 k = 0.1402 0.1573-0.0204 ( 2699 PWs) bands (ev): -28.5086 -28.5086 -24.3350 -24.3350 -17.3764 -17.3762 -12.0590 -12.0586 -11.8207 -11.8206 -11.6988 -11.6986 -6.0661 -6.0633 -4.6491 -4.6395 -3.1735 -3.1666 -2.8532 -2.8488 0.9533 0.9627 2.8791 2.8795 3.8743 3.8794 4.7984 4.8048 7.4567 7.4586 7.4649 7.4654 9.2972 9.3043 k = 0.1472 0.1651-0.0214 ( 2694 PWs) bands (ev): -28.5058 -28.5058 -24.3298 -24.3298 -17.3873 -17.3871 -12.0684 -12.0680 -11.8324 -11.8323 -11.6979 -11.6977 -6.0621 -6.0592 -4.6680 -4.6582 -3.1536 -3.1467 -2.8787 -2.8742 1.0117 1.0214 2.9099 2.9103 3.8738 3.8792 4.8411 4.8479 7.4377 7.4408 7.4916 7.4921 9.2844 9.2914 k = 0.1542 0.1730-0.0224 ( 2694 PWs) bands (ev): -28.5029 -28.5029 -24.3245 -24.3244 -17.3985 -17.3983 -12.0782 -12.0778 -11.8444 -11.8443 -11.6967 -11.6965 -6.0581 -6.0549 -4.6862 -4.6762 -3.1347 -3.1277 -2.9043 -2.8998 1.0714 1.0813 2.9403 2.9407 3.8734 3.8790 4.8860 4.8931 7.4149 7.4183 7.5246 7.5250 9.2704 9.2771 k = 0.1613 0.1809-0.0234 ( 2700 PWs) bands (ev): -28.5000 -28.4999 -24.3190 -24.3189 -17.4100 -17.4098 -12.0884 -12.0880 -11.8568 -11.8567 -11.6953 -11.6951 -6.0538 -6.0505 -4.7036 -4.6935 -3.1167 -3.1097 -2.9299 -2.9255 1.1321 1.1423 2.9702 2.9705 3.8731 3.8790 4.9329 4.9403 7.3928 7.3965 7.5592 7.5596 9.2551 9.2616 k = 0.1683 0.1887-0.0244 ( 2704 PWs) bands (ev): -28.4969 -28.4969 -24.3133 -24.3133 -17.4218 -17.4217 -12.0988 -12.0984 -11.8694 -11.8693 -11.6937 -11.6935 -6.0493 -6.0459 -4.7202 -4.7099 -3.0999 -3.0927 -2.9555 -2.9511 1.1937 1.2043 2.9993 2.9997 3.8728 3.8790 4.9816 4.9894 7.3714 7.3754 7.5952 7.5956 9.2386 9.2450 k = 0.1753 0.1966-0.0254 ( 2702 PWs) bands (ev): -28.4938 -28.4938 -24.3075 -24.3074 -17.4339 -17.4338 -12.1095 -12.1092 -11.8823 -11.8822 -11.6918 -11.6916 -6.0447 -6.0412 -4.7360 -4.7256 -3.0841 -3.0769 -2.9810 -2.9766 1.2562 1.2670 3.0277 3.0280 3.8727 3.8791 5.0321 5.0402 7.3509 7.3552 7.6326 7.6331 9.2211 9.2273 k = 0.1823 0.2045-0.0265 ( 2694 PWs) bands (ev): -28.4906 -28.4906 -24.3015 -24.3015 -17.4463 -17.4461 -12.1205 -12.1201 -11.8954 -11.8953 -11.6897 -11.6896 -6.0398 -6.0362 -4.7510 -4.7404 -3.0696 -3.0623 -3.0062 -3.0019 1.3193 1.3304 3.0551 3.0554 3.8726 3.8794 5.0841 5.0925 7.3312 7.3359 7.6714 7.6719 9.2025 9.2086 k = 0.1893 0.2123-0.0275 ( 2694 PWs) bands (ev): -28.4873 -28.4873 -24.2955 -24.2954 -17.4589 -17.4587 -12.1316 -12.1313 -11.9087 -11.9086 -11.6875 -11.6873 -6.0348 -6.0309 -4.7651 -4.7544 -3.0567 -3.0489 -3.0309 -3.0271 1.3830 1.3944 3.0815 3.0818 3.8726 3.8797 5.1372 5.1459 7.3125 7.3175 7.7115 7.7120 9.1829 9.1888 k = 0.1963 0.2202-0.0285 ( 2694 PWs) bands (ev): -28.4840 -28.4840 -24.2893 -24.2893 -17.4716 -17.4714 -12.1429 -12.1426 -11.9221 -11.9221 -11.6851 -11.6849 -6.0294 -6.0255 -4.7785 -4.7676 -3.0581 -3.0522 -3.0423 -3.0366 1.4471 1.4588 3.1067 3.1071 3.8727 3.8801 5.1913 5.2002 7.2947 7.2999 7.7529 7.7535 9.1624 9.1681 k = 0.2033 0.2281-0.0295 ( 2690 PWs) bands (ev): -28.4807 -28.4807 -24.2830 -24.2830 -17.4846 -17.4844 -12.1544 -12.1541 -11.9357 -11.9356 -11.6825 -11.6824 -6.0238 -6.0197 -4.7910 -4.7801 -3.0817 -3.0769 -3.0325 -3.0258 1.5116 1.5235 3.1308 3.1313 3.8730 3.8806 5.2460 5.2551 7.2778 7.2833 7.7955 7.7961 9.1409 9.1465 k = 0.2103 0.2359-0.0305 ( 2696 PWs) bands (ev): -28.4773 -28.4773 -24.2767 -24.2766 -17.4976 -17.4974 -12.1659 -12.1656 -11.9493 -11.9493 -11.6798 -11.6797 -6.0179 -6.0137 -4.8027 -4.7917 -3.1059 -3.1012 -3.0231 -3.0164 1.5762 1.5884 3.1537 3.1542 3.8733 3.8812 5.3008 5.3101 7.2617 7.2674 7.8392 7.8398 9.1186 9.1241 k = 0.2173 0.2438-0.0315 ( 2700 PWs) bands (ev): -28.4739 -28.4739 -24.2702 -24.2702 -17.5108 -17.5106 -12.1776 -12.1773 -11.9630 -11.9629 -11.6770 -11.6769 -6.0117 -6.0074 -4.8138 -4.8026 -3.1299 -3.1253 -3.0150 -3.0082 1.6410 1.6534 3.1755 3.1760 3.8737 3.8820 5.3554 5.3649 7.2463 7.2523 7.8839 7.8846 9.0954 9.1007 k = 0.2244 0.2516-0.0326 ( 2701 PWs) bands (ev): -28.4705 -28.4705 -24.2638 -24.2637 -17.5241 -17.5239 -12.1892 -12.1890 -11.9766 -11.9766 -11.6741 -11.6740 -6.0052 -6.0007 -4.8240 -4.8128 -3.1535 -3.1490 -3.0083 -3.0015 1.7057 1.7184 3.1960 3.1966 3.8743 3.8828 5.4094 5.4189 7.2317 7.2379 7.9295 7.9302 9.0714 9.0766 k = 0.2314 0.2595-0.0336 ( 2697 PWs) bands (ev): -28.4670 -28.4670 -24.2572 -24.2572 -17.5374 -17.5372 -12.2009 -12.2007 -11.9902 -11.9902 -11.6711 -11.6710 -5.9982 -5.9937 -4.8336 -4.8223 -3.1767 -3.1723 -3.0029 -2.9961 1.7704 1.7833 3.2153 3.2159 3.8749 3.8838 5.4621 5.4717 7.2177 7.2240 7.9759 7.9766 9.0466 9.0517 k = 0.2384 0.2674-0.0346 ( 2701 PWs) bands (ev): -28.4635 -28.4635 -24.2507 -24.2506 -17.5508 -17.5506 -12.2126 -12.2124 -12.0038 -12.0038 -11.6680 -11.6679 -5.9909 -5.9862 -4.8426 -4.8312 -3.1995 -3.1952 -2.9988 -2.9920 1.8348 1.8479 3.2334 3.2341 3.8757 3.8848 5.5132 5.5227 7.2041 7.2105 8.0228 8.0236 9.0212 9.0262 k = 0.2454 0.2752-0.0356 ( 2701 PWs) bands (ev): -28.4601 -28.4601 -24.2441 -24.2440 -17.5642 -17.5640 -12.2242 -12.2240 -12.0172 -12.0172 -11.6648 -11.6647 -5.9831 -5.9784 -4.8510 -4.8395 -3.2218 -3.2176 -2.9962 -2.9894 1.8989 1.9123 3.2504 3.2512 3.8765 3.8860 5.5619 5.5714 7.1909 7.1973 8.0700 8.0709 8.9955 9.0003 k = 0.2524 0.2831-0.0366 ( 2705 PWs) bands (ev): -28.4566 -28.4566 -24.2375 -24.2374 -17.5776 -17.5774 -12.2358 -12.2356 -12.0305 -12.0305 -11.6616 -11.6615 -5.9749 -5.9700 -4.8589 -4.8473 -3.2437 -3.2396 -2.9949 -2.9881 1.9625 1.9762 3.2663 3.2672 3.8774 3.8872 5.6079 5.6173 7.1779 7.1844 8.1173 8.1183 8.9696 8.9743 k = 0.2594 0.2910-0.0377 ( 2712 PWs) bands (ev): -28.4532 -28.4532 -24.2309 -24.2308 -17.5909 -17.5907 -12.2474 -12.2472 -12.0437 -12.0437 -11.6583 -11.6583 -5.9662 -5.9612 -4.8663 -4.8547 -3.2651 -3.2610 -2.9949 -2.9882 2.0257 2.0395 3.2812 3.2821 3.8784 3.8885 5.6505 5.6596 7.1652 7.1716 8.1643 8.1653 8.9442 8.9487 k = 0.2664 0.2988-0.0387 ( 2711 PWs) bands (ev): -28.4497 -28.4497 -24.2243 -24.2243 -17.6042 -17.6040 -12.2588 -12.2586 -12.0566 -12.0566 -11.6551 -11.6550 -5.9570 -5.9519 -4.8732 -4.8616 -3.2860 -3.2820 -2.9962 -2.9895 2.0883 2.1023 3.2951 3.2961 3.8795 3.8899 5.6891 5.6980 7.1526 7.1589 8.2105 8.2117 8.9196 8.9239 k = 0.2734 0.3067-0.0397 ( 2716 PWs) bands (ev): -28.4463 -28.4463 -24.2177 -24.2177 -17.6173 -17.6172 -12.2701 -12.2700 -12.0693 -12.0693 -11.6518 -11.6517 -5.9472 -5.9420 -4.8799 -4.8682 -3.3064 -3.3025 -2.9988 -2.9922 2.1501 2.1644 3.3080 3.3091 3.8807 3.8914 5.7232 5.7317 7.1402 7.1464 8.2555 8.2567 8.8965 8.9006 k = 0.2804 0.3146-0.0407 ( 2714 PWs) bands (ev): -28.4430 -28.4429 -24.2112 -24.2112 -17.6304 -17.6302 -12.2813 -12.2812 -12.0817 -12.0817 -11.6484 -11.6484 -5.9369 -5.9316 -4.8862 -4.8745 -3.3262 -3.3224 -3.0027 -2.9961 2.2112 2.2257 3.3201 3.3212 3.8819 3.8929 5.7523 5.7604 7.1282 7.1341 8.2985 8.2999 8.8754 8.8792 k = 0.2875 0.3224-0.0417 ( 2724 PWs) bands (ev): -28.4396 -28.4396 -24.2048 -24.2047 -17.6433 -17.6431 -12.2924 -12.2923 -12.0939 -12.0939 -11.6451 -11.6451 -5.9259 -5.9206 -4.8924 -4.8807 -3.3455 -3.3418 -3.0077 -3.0012 2.2714 2.2861 3.3313 3.3325 3.8832 3.8945 5.7760 5.7835 7.1165 7.1222 8.3388 8.3403 8.8569 8.8604 k = 0.2945 0.3303-0.0427 ( 2720 PWs) bands (ev): -28.4363 -28.4363 -24.1984 -24.1984 -17.6561 -17.6559 -12.3033 -12.3032 -12.1057 -12.1057 -11.6419 -11.6419 -5.9144 -5.9090 -4.8984 -4.8866 -3.3643 -3.3607 -3.0138 -3.0074 2.3307 2.3456 3.3418 3.3431 3.8845 3.8961 5.7937 5.8008 7.1055 7.1110 8.3754 8.3771 8.8413 8.8446 k = 0.3015 0.3382-0.0438 ( 2717 PWs) bands (ev): -28.4331 -28.4331 -24.1921 -24.1920 -17.6686 -17.6684 -12.3140 -12.3139 -12.1171 -12.1171 -11.6386 -11.6386 -5.9022 -5.8967 -4.9043 -4.8926 -3.3825 -3.3790 -3.0211 -3.0147 2.3890 2.4040 3.3515 3.3529 3.8858 3.8977 5.8054 5.8118 7.0955 7.1006 8.4074 8.4092 8.8289 8.8320 k = 0.3085 0.3460-0.0448 ( 2719 PWs) bands (ev): -28.4299 -28.4299 -24.1859 -24.1858 -17.6810 -17.6808 -12.3245 -12.3245 -12.1283 -12.1283 -11.6354 -11.6354 -5.8894 -5.8838 -4.9103 -4.8985 -3.4001 -3.3967 -3.0293 -3.0230 2.4461 2.4613 3.3607 3.3621 3.8872 3.8993 5.8108 5.8166 7.0866 7.0914 8.4338 8.4356 8.8199 8.8227 k = 0.3155 0.3539-0.0458 ( 2719 PWs) bands (ev): -28.4267 -28.4267 -24.1798 -24.1797 -17.6931 -17.6929 -12.3349 -12.3348 -12.1390 -12.1390 -11.6322 -11.6322 -5.8759 -5.8702 -4.9163 -4.9045 -3.4172 -3.4139 -3.0384 -3.0322 2.5021 2.5174 3.3692 3.3707 3.8885 3.9009 5.8099 5.8151 7.0791 7.0836 8.4536 8.4556 8.8144 8.8169 k = 0.3225 0.3617-0.0468 ( 2723 PWs) bands (ev): -28.4237 -28.4237 -24.1738 -24.1737 -17.7049 -17.7048 -12.3451 -12.3450 -12.1493 -12.1493 -11.6291 -11.6290 -5.8618 -5.8560 -4.9225 -4.9107 -3.4336 -3.4305 -3.0484 -3.0423 2.5568 2.5722 3.3772 3.3788 3.8898 3.9024 5.8029 5.8075 7.0733 7.0774 8.4666 8.4686 8.8122 8.8144 k = 0.3295 0.3696-0.0478 ( 2723 PWs) bands (ev): -28.4207 -28.4207 -24.1679 -24.1679 -17.7165 -17.7163 -12.3550 -12.3549 -12.1592 -12.1592 -11.6260 -11.6260 -5.8470 -5.8411 -4.9288 -4.9171 -3.4495 -3.4464 -3.0592 -3.0532 2.6101 2.6257 3.3847 3.3863 3.8911 3.9039 5.7902 5.7942 7.0691 7.0730 8.4727 8.4746 8.8132 8.8151 k = 0.3365 0.3775-0.0488 ( 2726 PWs) bands (ev): -28.4178 -28.4177 -24.1622 -24.1621 -17.7278 -17.7276 -12.3647 -12.3647 -12.1687 -12.1687 -11.6230 -11.6230 -5.8315 -5.8255 -4.9355 -4.9237 -3.4648 -3.4618 -3.0706 -3.0647 2.6621 2.6777 3.3918 3.3934 3.8924 3.9053 5.7721 5.7755 7.0667 7.0703 8.4724 8.4743 8.8172 8.8189 k = 0.3435 0.3853-0.0499 ( 2722 PWs) bands (ev): -28.4149 -28.4149 -24.1566 -24.1566 -17.7387 -17.7386 -12.3742 -12.3741 -12.1777 -12.1777 -11.6201 -11.6200 -5.8154 -5.8093 -4.9424 -4.9308 -3.4795 -3.4766 -3.0826 -3.0768 2.7126 2.7283 3.3984 3.4000 3.8936 3.9067 5.7493 5.7522 7.0661 7.0694 8.4666 8.4684 8.8240 8.8255 k = 0.3506 0.3932-0.0509 ( 2724 PWs) bands (ev): -28.4122 -28.4122 -24.1512 -24.1511 -17.7493 -17.7492 -12.3834 -12.3833 -12.1863 -12.1863 -11.6173 -11.6172 -5.7986 -5.7925 -4.9498 -4.9382 -3.4935 -3.4908 -3.0951 -3.0894 2.7616 2.7773 3.4047 3.4063 3.8947 3.9079 5.7223 5.7248 7.0670 7.0701 8.4563 8.4579 8.8335 8.8346 k = 0.3576 0.4011-0.0519 ( 2724 PWs) bands (ev): -28.4095 -28.4095 -24.1459 -24.1459 -17.7596 -17.7595 -12.3923 -12.3923 -12.1945 -12.1945 -11.6145 -11.6144 -5.7811 -5.7749 -4.9576 -4.9461 -3.5070 -3.5043 -3.1079 -3.1024 2.8089 2.8246 3.4106 3.4122 3.8957 3.9091 5.6920 5.6940 7.0693 7.0723 8.4425 8.4440 8.8453 8.8462 k = 0.3646 0.4089-0.0529 ( 2724 PWs) bands (ev): -28.4070 -28.4069 -24.1409 -24.1408 -17.7695 -17.7694 -12.4009 -12.4009 -12.2022 -12.2022 -11.6118 -11.6118 -5.7631 -5.7568 -4.9660 -4.9545 -3.5198 -3.5173 -3.1210 -3.1156 2.8547 2.8703 3.4161 3.4178 3.8966 3.9101 5.6589 5.6606 7.0729 7.0758 8.4262 8.4276 8.8592 8.8599 k = 0.3716 0.4168-0.0539 ( 2726 PWs) bands (ev): -28.4045 -28.4045 -24.1360 -24.1360 -17.7790 -17.7789 -12.4092 -12.4092 -12.2094 -12.2094 -11.6093 -11.6092 -5.7445 -5.7381 -4.9749 -4.9634 -3.5320 -3.5296 -3.1342 -3.1290 2.8986 2.9142 3.4214 3.4230 3.8975 3.9109 5.6239 5.6252 7.0776 7.0804 8.4083 8.4096 8.8750 8.8755 k = 0.3786 0.4247-0.0550 ( 2728 PWs) bands (ev): -28.4021 -28.4021 -24.1313 -24.1313 -17.7881 -17.7880 -12.4172 -12.4172 -12.2162 -12.2162 -11.6068 -11.6068 -5.7253 -5.7189 -4.9843 -4.9730 -3.5435 -3.5413 -3.1475 -3.1425 2.9408 2.9563 3.4264 3.4279 3.8982 3.9116 5.5875 5.5886 7.0831 7.0858 8.3893 8.3905 8.8924 8.8928 k = 0.3856 0.4325-0.0560 ( 2727 PWs) bands (ev): -28.3999 -28.3999 -24.1269 -24.1268 -17.7968 -17.7966 -12.4249 -12.4249 -12.2225 -12.2225 -11.6045 -11.6044 -5.7056 -5.6991 -4.9944 -4.9832 -3.5545 -3.5524 -3.1608 -3.1559 2.9812 2.9964 3.4310 3.4326 3.8988 3.9122 5.5504 5.5512 7.0893 7.0919 8.3700 8.3710 8.9113 8.9115 k = 0.3926 0.4404-0.0570 ( 2727 PWs) bands (ev): -28.3978 -28.3978 -24.1226 -24.1226 -17.8050 -17.8049 -12.4322 -12.4322 -12.2284 -12.2284 -11.6023 -11.6022 -5.6854 -5.6789 -5.0051 -4.9940 -3.5648 -3.5628 -3.1738 -3.1692 3.0197 3.0347 3.4355 3.4370 3.8993 3.9125 5.5131 5.5138 7.0961 7.0986 8.3506 8.3515 8.9313 8.9313 k = 0.3996 0.4482-0.0580 ( 2725 PWs) bands (ev): -28.3958 -28.3958 -24.1186 -24.1186 -17.8128 -17.8126 -12.4391 -12.4391 -12.2339 -12.2339 -11.6002 -11.6001 -5.6649 -5.6582 -5.0165 -5.0055 -3.5744 -3.5726 -3.1866 -3.1822 3.0562 3.0708 3.4396 3.4411 3.8997 3.9127 5.4762 5.4767 7.1031 7.1056 8.3315 8.3324 8.9521 8.9522 k = 0.4066 0.4561-0.0590 ( 2727 PWs) bands (ev): -28.3939 -28.3939 -24.1148 -24.1148 -17.8201 -17.8200 -12.4457 -12.4457 -12.2389 -12.2389 -11.5982 -11.5981 -5.6440 -5.6373 -5.0285 -5.0177 -3.5835 -3.5817 -3.1991 -3.1949 3.0907 3.1049 3.4435 3.4449 3.8999 3.9127 5.4401 5.4405 7.1104 7.1128 8.3131 8.3139 8.9735 8.9737 k = 0.4137 0.4640-0.0600 ( 2727 PWs) bands (ev): -28.3921 -28.3921 -24.1113 -24.1113 -17.8269 -17.8268 -12.4518 -12.4518 -12.2436 -12.2436 -11.5963 -11.5963 -5.6228 -5.6161 -5.0411 -5.0305 -3.5918 -3.5902 -3.2110 -3.2071 3.1232 3.1369 3.4472 3.4485 3.9001 3.9125 5.4053 5.4056 7.1179 7.1202 8.2955 8.2962 8.9952 8.9955 k = 0.4207 0.4718-0.0611 ( 2726 PWs) bands (ev): -28.3905 -28.3905 -24.1080 -24.1080 -17.8332 -17.8331 -12.4576 -12.4575 -12.2478 -12.2478 -11.5946 -11.5945 -5.6015 -5.5947 -5.0543 -5.0440 -3.5996 -3.5981 -3.2224 -3.2187 3.1534 3.1666 3.4506 3.4518 3.9002 3.9121 5.3720 5.3722 7.1253 7.1275 8.2789 8.2795 9.0169 9.0172 k = 0.4277 0.4797-0.0621 ( 2729 PWs) bands (ev): -28.3890 -28.3890 -24.1050 -24.1049 -17.8391 -17.8390 -12.4629 -12.4628 -12.2516 -12.2516 -11.5930 -11.5929 -5.5801 -5.5734 -5.0681 -5.0580 -3.6066 -3.6053 -3.2331 -3.2297 3.1815 3.1940 3.4537 3.4548 3.9001 3.9115 5.3406 5.3407 7.1327 7.1348 8.2634 8.2640 9.0381 9.0385 k = 0.4347 0.4876-0.0631 ( 2728 PWs) bands (ev): -28.3876 -28.3876 -24.1022 -24.1022 -17.8444 -17.8443 -12.4677 -12.4677 -12.2551 -12.2550 -11.5915 -11.5915 -5.5588 -5.5521 -5.0823 -5.0725 -3.6131 -3.6118 -3.2431 -3.2400 3.2074 3.2191 3.4566 3.4576 3.9001 3.9108 5.3113 5.3114 7.1400 7.1420 8.2492 8.2497 9.0586 9.0590 k = 0.4417 0.4954-0.0641 ( 2722 PWs) bands (ev): -28.3863 -28.3863 -24.0997 -24.0997 -17.8492 -17.8491 -12.4721 -12.4721 -12.2581 -12.2581 -11.5902 -11.5901 -5.5377 -5.5311 -5.0967 -5.0873 -3.6188 -3.6177 -3.2523 -3.2495 3.2309 3.2418 3.4592 3.4602 3.9000 3.9100 5.2844 5.2845 7.1472 7.1490 8.2364 8.2368 9.0780 9.0784 k = 0.4487 0.5033-0.0651 ( 2718 PWs) bands (ev): -28.3852 -28.3852 -24.0975 -24.0974 -17.8535 -17.8534 -12.4760 -12.4760 -12.2608 -12.2608 -11.5890 -11.5889 -5.5171 -5.5106 -5.1114 -5.1024 -3.6239 -3.6230 -3.2606 -3.2581 3.2521 3.2620 3.4616 3.4624 3.8999 3.9091 5.2601 5.2602 7.1542 7.1559 8.2250 8.2253 9.0957 9.0961 k = 0.4487 0.5033-0.0651 ( 2718 PWs) bands (ev): -28.3852 -28.3852 -24.0975 -24.0974 -17.8535 -17.8534 -12.4760 -12.4760 -12.2608 -12.2608 -11.5890 -11.5889 -5.5171 -5.5106 -5.1114 -5.1024 -3.6239 -3.6230 -3.2606 -3.2581 3.2521 3.2620 3.4616 3.4624 3.8999 3.9091 5.2601 5.2602 7.1542 7.1559 8.2250 8.2253 9.0957 9.0961 k = 0.4499 0.5047-0.0546 ( 2722 PWs) bands (ev): -28.3850 -28.3850 -24.0971 -24.0971 -17.8542 -17.8541 -12.4767 -12.4766 -12.2612 -12.2612 -11.5884 -11.5884 -5.5142 -5.5077 -5.1151 -5.1062 -3.6245 -3.6236 -3.2622 -3.2597 3.2567 3.2664 3.4698 3.4706 3.9002 3.9092 5.2585 5.2586 7.1587 7.1605 8.2080 8.2083 9.0823 9.0828 k = 0.4511 0.5060-0.0441 ( 2726 PWs) bands (ev): -28.3849 -28.3849 -24.0968 -24.0968 -17.8548 -17.8548 -12.4773 -12.4773 -12.2616 -12.2616 -11.5878 -11.5877 -5.5115 -5.5050 -5.1191 -5.1102 -3.6251 -3.6241 -3.2638 -3.2614 3.2613 3.2709 3.4791 3.4799 3.9005 3.9093 5.2570 5.2572 7.1652 7.1669 8.1896 8.1899 9.0655 9.0660 k = 0.4524 0.5074-0.0336 ( 2720 PWs) bands (ev): -28.3847 -28.3847 -24.0965 -24.0965 -17.8555 -17.8554 -12.4779 -12.4779 -12.2620 -12.2620 -11.5871 -11.5870 -5.5088 -5.5024 -5.1232 -5.1144 -3.6256 -3.6247 -3.2655 -3.2631 3.2661 3.2755 3.4894 3.4902 3.9008 3.9095 5.2556 5.2558 7.1735 7.1752 8.1702 8.1705 9.0456 9.0461 k = 0.4536 0.5087-0.0231 ( 2724 PWs) bands (ev): -28.3845 -28.3845 -24.0962 -24.0961 -17.8561 -17.8561 -12.4786 -12.4785 -12.2624 -12.2624 -11.5864 -11.5863 -5.5063 -5.4998 -5.1274 -5.1187 -3.6261 -3.6252 -3.2671 -3.2648 3.2708 3.2801 3.5006 3.5013 3.9010 3.9096 5.2542 5.2544 7.1834 7.1851 8.1500 8.1503 9.0230 9.0236 k = 0.4548 0.5101-0.0126 ( 2720 PWs) bands (ev): -28.3843 -28.3843 -24.0959 -24.0958 -17.8567 -17.8567 -12.4792 -12.4791 -12.2628 -12.2628 -11.5856 -11.5855 -5.5038 -5.4974 -5.1317 -5.1230 -3.6265 -3.6256 -3.2688 -3.2665 3.2756 3.2847 3.5124 3.5131 3.9013 3.9098 5.2529 5.2531 7.1949 7.1966 8.1294 8.1297 8.9982 8.9989 k = 0.4560 0.5115-0.0021 ( 2716 PWs) bands (ev): -28.3842 -28.3842 -24.0956 -24.0956 -17.8573 -17.8573 -12.4797 -12.4797 -12.2631 -12.2631 -11.5848 -11.5848 -5.5014 -5.4950 -5.1361 -5.1275 -3.6269 -3.6261 -3.2704 -3.2682 3.2805 3.2894 3.5246 3.5253 3.9016 3.9099 5.2515 5.2518 7.2077 7.2094 8.1087 8.1090 8.9718 8.9725 k = 0.4572 0.5128 0.0084 ( 2712 PWs) bands (ev): -28.3840 -28.3840 -24.0953 -24.0953 -17.8579 -17.8579 -12.4803 -12.4803 -12.2635 -12.2635 -11.5840 -11.5840 -5.4991 -5.4927 -5.1405 -5.1320 -3.6273 -3.6265 -3.2720 -3.2699 3.2852 3.2940 3.5371 3.5378 3.9019 3.9100 5.2502 5.2504 7.2218 7.2235 8.0883 8.0886 8.9442 8.9449 k = 0.4584 0.5142 0.0190 ( 2716 PWs) bands (ev): -28.3839 -28.3839 -24.0950 -24.0950 -17.8585 -17.8584 -12.4809 -12.4809 -12.2638 -12.2638 -11.5833 -11.5832 -5.4968 -5.4904 -5.1449 -5.1364 -3.6277 -3.6269 -3.2736 -3.2715 3.2899 3.2985 3.5495 3.5502 3.9021 3.9101 5.2488 5.2490 7.2368 7.2384 8.0685 8.0687 8.9159 8.9167 k = 0.4596 0.5155 0.0295 ( 2724 PWs) bands (ev): -28.3837 -28.3837 -24.0948 -24.0947 -17.8590 -17.8590 -12.4814 -12.4814 -12.2642 -12.2641 -11.5825 -11.5824 -5.4945 -5.4882 -5.1492 -5.1409 -3.6280 -3.6273 -3.2752 -3.2731 3.2945 3.3029 3.5618 3.5624 3.9023 3.9101 5.2473 5.2476 7.2524 7.2541 8.0494 8.0496 8.8875 8.8883 k = 0.4608 0.5169 0.0400 ( 2718 PWs) bands (ev): -28.3836 -28.3836 -24.0945 -24.0945 -17.8596 -17.8595 -12.4819 -12.4819 -12.2645 -12.2645 -11.5817 -11.5817 -5.4922 -5.4859 -5.1534 -5.1452 -3.6284 -3.6276 -3.2767 -3.2747 3.2990 3.3072 3.5736 3.5742 3.9025 3.9102 5.2458 5.2461 7.2685 7.2702 8.0315 8.0316 8.8596 8.8604 k = 0.4621 0.5183 0.0505 ( 2718 PWs) bands (ev): -28.3834 -28.3834 -24.0942 -24.0942 -17.8601 -17.8600 -12.4824 -12.4824 -12.2648 -12.2648 -11.5810 -11.5810 -5.4899 -5.4836 -5.1575 -5.1494 -3.6287 -3.6280 -3.2781 -3.2762 3.3033 3.3113 3.5848 3.5853 3.9027 3.9102 5.2442 5.2445 7.2847 7.2863 8.0148 8.0150 8.8326 8.8334 k = 0.4633 0.5196 0.0610 ( 2717 PWs) bands (ev): -28.3833 -28.3833 -24.0940 -24.0940 -17.8606 -17.8605 -12.4829 -12.4829 -12.2651 -12.2651 -11.5804 -11.5803 -5.4876 -5.4814 -5.1615 -5.1535 -3.6291 -3.6284 -3.2795 -3.2777 3.3074 3.3152 3.5951 3.5956 3.9028 3.9101 5.2425 5.2427 7.3007 7.3022 7.9997 7.9999 8.8071 8.8080 k = 0.4645 0.5210 0.0715 ( 2720 PWs) bands (ev): -28.3832 -28.3832 -24.0938 -24.0938 -17.8611 -17.8610 -12.4834 -12.4834 -12.2654 -12.2654 -11.5798 -11.5797 -5.4852 -5.4790 -5.1653 -5.1574 -3.6295 -3.6288 -3.2809 -3.2791 3.3113 3.3189 3.6044 3.6048 3.9029 3.9100 5.2406 5.2409 7.3159 7.3174 7.9863 7.9865 8.7837 8.7845 k = 0.4657 0.5223 0.0820 ( 2717 PWs) bands (ev): -28.3830 -28.3830 -24.0935 -24.0935 -17.8615 -17.8615 -12.4839 -12.4839 -12.2656 -12.2656 -11.5792 -11.5792 -5.4828 -5.4767 -5.1688 -5.1611 -3.6298 -3.6292 -3.2821 -3.2804 3.3150 3.3224 3.6125 3.6129 3.9029 3.9099 5.2387 5.2389 7.3302 7.3317 7.9748 7.9750 8.7628 8.7636 k = 0.4669 0.5237 0.0925 ( 2719 PWs) bands (ev): -28.3829 -28.3829 -24.0933 -24.0933 -17.8620 -17.8619 -12.4843 -12.4843 -12.2659 -12.2659 -11.5787 -11.5787 -5.4803 -5.4743 -5.1722 -5.1645 -3.6302 -3.6296 -3.2833 -3.2816 3.3183 3.3255 3.6192 3.6196 3.9029 3.9097 5.2365 5.2368 7.3432 7.3445 7.9653 7.9655 8.7450 8.7458 k = 0.4681 0.5251 0.1030 ( 2717 PWs) bands (ev): -28.3828 -28.3828 -24.0931 -24.0931 -17.8624 -17.8624 -12.4847 -12.4847 -12.2662 -12.2662 -11.5783 -11.5783 -5.4777 -5.4718 -5.1752 -5.1677 -3.6306 -3.6300 -3.2844 -3.2828 3.3214 3.3284 3.6245 3.6248 3.9029 3.9095 5.2343 5.2345 7.3543 7.3556 7.9580 7.9581 8.7307 8.7315 k = 0.4693 0.5264 0.1135 ( 2717 PWs) bands (ev): -28.3827 -28.3827 -24.0929 -24.0929 -17.8628 -17.8628 -12.4851 -12.4851 -12.2664 -12.2664 -11.5780 -11.5780 -5.4751 -5.4692 -5.1780 -5.1707 -3.6311 -3.6305 -3.2854 -3.2839 3.3242 3.3310 3.6282 3.6285 3.9029 3.9092 5.2319 5.2321 7.3634 7.3646 7.9528 7.9530 8.7203 8.7210 k = 0.4705 0.5278 0.1241 ( 2724 PWs) bands (ev): -28.3826 -28.3826 -24.0927 -24.0927 -17.8633 -17.8632 -12.4855 -12.4855 -12.2667 -12.2667 -11.5778 -11.5778 -5.4723 -5.4666 -5.1805 -5.1734 -3.6315 -3.6309 -3.2863 -3.2849 3.3267 3.3332 3.6302 3.6305 3.9028 3.9089 5.2293 5.2295 7.3702 7.3713 7.9499 7.9501 8.7141 8.7148 k = 0.4705 0.5278 0.1241 ( 2724 PWs) bands (ev): -28.3826 -28.3826 -24.0927 -24.0927 -17.8633 -17.8632 -12.4855 -12.4855 -12.2667 -12.2667 -11.5778 -11.5778 -5.4723 -5.4666 -5.1805 -5.1734 -3.6315 -3.6309 -3.2863 -3.2849 3.3267 3.3332 3.6302 3.6305 3.9028 3.9089 5.2293 5.2295 7.3702 7.3713 7.9499 7.9501 8.7141 8.7148 k = 0.4674 0.5243 0.1334 ( 2722 PWs) bands (ev): -28.3829 -28.3829 -24.0932 -24.0932 -17.8622 -17.8621 -12.4845 -12.4845 -12.2660 -12.2660 -11.5780 -11.5780 -5.4800 -5.4739 -5.1750 -5.1674 -3.6303 -3.6296 -3.2841 -3.2825 3.3207 3.3278 3.6299 3.6302 3.9030 3.9097 5.2352 5.2353 7.3768 7.3780 7.9543 7.9545 8.7001 8.7008 k = 0.4643 0.5208 0.1427 ( 2712 PWs) bands (ev): -28.3832 -28.3832 -24.0939 -24.0938 -17.8610 -17.8609 -12.4834 -12.4834 -12.2653 -12.2653 -11.5783 -11.5783 -5.4879 -5.4816 -5.1690 -5.1611 -3.6289 -3.6282 -3.2817 -3.2799 3.3140 3.3217 3.6284 3.6287 3.9032 3.9104 5.2413 5.2415 7.3829 7.3842 7.9607 7.9609 8.6873 8.6880 k = 0.4612 0.5173 0.1520 ( 2716 PWs) bands (ev): -28.3835 -28.3835 -24.0945 -24.0945 -17.8597 -17.8596 -12.4822 -12.4822 -12.2645 -12.2645 -11.5787 -11.5787 -5.4961 -5.4896 -5.1627 -5.1544 -3.6274 -3.6267 -3.2790 -3.2771 3.3065 3.3148 3.6259 3.6262 3.9034 3.9111 5.2478 5.2479 7.3885 7.3898 7.9691 7.9693 8.6758 8.6765 k = 0.4581 0.5138 0.1613 ( 2718 PWs) bands (ev): -28.3839 -28.3839 -24.0953 -24.0953 -17.8582 -17.8582 -12.4809 -12.4809 -12.2637 -12.2637 -11.5792 -11.5792 -5.5044 -5.4978 -5.1562 -5.1476 -3.6259 -3.6251 -3.2761 -3.2741 3.2985 3.3073 3.6223 3.6226 3.9035 3.9117 5.2544 5.2546 7.3933 7.3947 7.9794 7.9796 8.6659 8.6667 k = 0.4550 0.5103 0.1706 ( 2720 PWs) bands (ev): -28.3843 -28.3843 -24.0961 -24.0961 -17.8567 -17.8567 -12.4795 -12.4794 -12.2627 -12.2627 -11.5798 -11.5798 -5.5129 -5.5061 -5.1494 -5.1405 -3.6242 -3.6233 -3.2729 -3.2708 3.2898 3.2990 3.6177 3.6180 3.9037 3.9123 5.2613 5.2615 7.3973 7.3987 7.9915 7.9918 8.6579 8.6587 k = 0.4518 0.5068 0.1799 ( 2719 PWs) bands (ev): -28.3847 -28.3847 -24.0969 -24.0969 -17.8551 -17.8551 -12.4779 -12.4779 -12.2617 -12.2617 -11.5804 -11.5804 -5.5214 -5.5145 -5.1424 -5.1333 -3.6224 -3.6215 -3.2695 -3.2673 3.2804 3.2902 3.6121 3.6125 3.9038 3.9129 5.2685 5.2687 7.4001 7.4016 8.0054 8.0057 8.6519 8.6527 k = 0.4487 0.5033 0.1892 ( 2723 PWs) bands (ev): -28.3852 -28.3851 -24.0978 -24.0978 -17.8534 -17.8533 -12.4763 -12.4763 -12.2607 -12.2607 -11.5811 -11.5811 -5.5300 -5.5231 -5.1352 -5.1259 -3.6205 -3.6196 -3.2659 -3.2635 3.2705 3.2808 3.6057 3.6061 3.9039 3.9133 5.2758 5.2760 7.4017 7.4032 8.0210 8.0213 8.6480 8.6488 k = 0.4456 0.4998 0.1985 ( 2727 PWs) bands (ev): -28.3856 -28.3856 -24.0987 -24.0987 -17.8516 -17.8515 -12.4746 -12.4746 -12.2595 -12.2595 -11.5819 -11.5819 -5.5387 -5.5317 -5.1278 -5.1183 -3.6186 -3.6175 -3.2621 -3.2596 3.2601 3.2707 3.5985 3.5989 3.9039 3.9137 5.2834 5.2836 7.4019 7.4035 8.0381 8.0385 8.6464 8.6472 k = 0.4425 0.4963 0.2078 ( 2726 PWs) bands (ev): -28.3861 -28.3861 -24.0997 -24.0997 -17.8496 -17.8496 -12.4728 -12.4728 -12.2583 -12.2583 -11.5827 -11.5827 -5.5475 -5.5404 -5.1204 -5.1107 -3.6165 -3.6154 -3.2581 -3.2554 3.2491 3.2601 3.5905 3.5910 3.9039 3.9141 5.2913 5.2914 7.4006 7.4022 8.0566 8.0570 8.6473 8.6480 k = 0.4394 0.4928 0.2171 ( 2719 PWs) bands (ev): -28.3867 -28.3867 -24.1008 -24.1008 -17.8476 -17.8475 -12.4709 -12.4709 -12.2570 -12.2570 -11.5836 -11.5836 -5.5562 -5.5491 -5.1129 -5.1031 -3.6142 -3.6131 -3.2539 -3.2511 3.2376 3.2490 3.5820 3.5825 3.9038 3.9143 5.2994 5.2995 7.3976 7.3992 8.0764 8.0768 8.6506 8.6513 k = 0.4362 0.4893 0.2264 ( 2712 PWs) bands (ev): -28.3872 -28.3872 -24.1019 -24.1019 -17.8454 -17.8453 -12.4689 -12.4689 -12.2557 -12.2557 -11.5845 -11.5845 -5.5649 -5.5578 -5.1053 -5.0954 -3.6119 -3.6107 -3.2494 -3.2465 3.2256 3.2374 3.5729 3.5735 3.9037 3.9145 5.3077 5.3079 7.3929 7.3946 8.0972 8.0977 8.6564 8.6571 k = 0.4331 0.4858 0.2357 ( 2708 PWs) bands (ev): -28.3878 -28.3878 -24.1030 -24.1030 -17.8432 -17.8431 -12.4668 -12.4668 -12.2542 -12.2542 -11.5855 -11.5855 -5.5737 -5.5666 -5.0978 -5.0877 -3.6094 -3.6082 -3.2448 -3.2418 3.2132 3.2253 3.5634 3.5640 3.9035 3.9146 5.3164 5.3166 7.3864 7.3882 8.1189 8.1194 8.6646 8.6653 k = 0.4300 0.4823 0.2450 ( 2713 PWs) bands (ev): -28.3884 -28.3884 -24.1043 -24.1042 -17.8408 -17.8407 -12.4646 -12.4646 -12.2527 -12.2527 -11.5866 -11.5866 -5.5824 -5.5753 -5.0902 -5.0800 -3.6068 -3.6055 -3.2401 -3.2369 3.2003 3.2128 3.5534 3.5541 3.9032 3.9145 5.3255 5.3257 7.3783 7.3800 8.1413 8.1419 8.6752 8.6758 k = 0.4269 0.4788 0.2543 ( 2715 PWs) bands (ev): -28.3891 -28.3890 -24.1055 -24.1055 -17.8384 -17.8383 -12.4624 -12.4624 -12.2511 -12.2511 -11.5877 -11.5877 -5.5912 -5.5841 -5.0826 -5.0723 -3.6041 -3.6028 -3.2352 -3.2319 3.1870 3.1998 3.5433 3.5440 3.9029 3.9145 5.3349 5.3351 7.3684 7.3702 8.1642 8.1648 8.6879 8.6884 k = 0.4269 0.4788 0.2543 ( 2715 PWs) bands (ev): -28.3891 -28.3890 -24.1055 -24.1055 -17.8384 -17.8383 -12.4624 -12.4624 -12.2511 -12.2511 -11.5877 -11.5877 -5.5912 -5.5841 -5.0826 -5.0723 -3.6041 -3.6028 -3.2352 -3.2319 3.1870 3.1998 3.5433 3.5440 3.9029 3.9145 5.3349 5.3351 7.3684 7.3702 8.1642 8.1648 8.6879 8.6884 k = 0.4199 0.4710 0.2543 ( 2712 PWs) bands (ev): -28.3906 -28.3906 -24.1086 -24.1086 -17.8325 -17.8324 -12.4570 -12.4570 -12.2473 -12.2473 -11.5891 -11.5891 -5.6129 -5.6058 -5.0695 -5.0590 -3.5970 -3.5955 -3.2244 -3.2208 3.1584 3.1718 3.5431 3.5439 3.9032 3.9153 5.3627 5.3629 7.3811 7.3831 8.1815 8.1822 8.6506 8.6512 k = 0.4129 0.4631 0.2543 ( 2708 PWs) bands (ev): -28.3922 -28.3922 -24.1119 -24.1119 -17.8261 -17.8260 -12.4513 -12.4512 -12.2430 -12.2430 -11.5907 -11.5906 -5.6345 -5.6275 -5.0570 -5.0462 -3.5892 -3.5876 -3.2129 -3.2091 3.1275 3.1415 3.5427 3.5436 3.9034 3.9159 5.3917 5.3921 7.3943 7.3964 8.2002 8.2009 8.6138 8.6143 k = 0.4059 0.4553 0.2543 ( 2708 PWs) bands (ev): -28.3940 -28.3940 -24.1155 -24.1154 -17.8192 -17.8191 -12.4451 -12.4450 -12.2384 -12.2383 -11.5923 -11.5923 -5.6560 -5.6489 -5.0451 -5.0341 -3.5808 -3.5791 -3.2009 -3.1968 3.0945 3.1090 3.5423 3.5433 3.9035 3.9164 5.4217 5.4223 7.4079 7.4101 8.2200 8.2208 8.5778 8.5783 k = 0.3989 0.4474 0.2543 ( 2710 PWs) bands (ev): -28.3959 -28.3959 -24.1193 -24.1192 -17.8119 -17.8118 -12.4385 -12.4384 -12.2333 -12.2333 -11.5941 -11.5941 -5.6771 -5.6702 -5.0338 -5.0226 -3.5718 -3.5699 -3.1883 -3.1840 3.0595 3.0743 3.5418 3.5428 3.9035 3.9166 5.4523 5.4530 7.4219 7.4242 8.2408 8.2417 8.5432 8.5437 k = 0.3919 0.4396 0.2543 ( 2708 PWs) bands (ev): -28.3979 -28.3979 -24.1233 -24.1233 -17.8041 -17.8040 -12.4315 -12.4315 -12.2278 -12.2278 -11.5960 -11.5960 -5.6980 -5.6911 -5.0232 -5.0119 -3.5621 -3.5600 -3.1754 -3.1709 3.0225 3.0376 3.5413 3.5423 3.9034 3.9167 5.4829 5.4838 7.4364 7.4388 8.2624 8.2634 8.5104 8.5108 k = 0.3849 0.4317 0.2543 ( 2710 PWs) bands (ev): -28.4000 -28.4000 -24.1276 -24.1275 -17.7958 -17.7957 -12.4242 -12.4241 -12.2218 -12.2218 -11.5981 -11.5981 -5.7184 -5.7116 -5.0132 -5.0017 -3.5517 -3.5496 -3.1623 -3.1576 2.9836 2.9990 3.5407 3.5418 3.9031 3.9165 5.5132 5.5142 7.4515 7.4539 8.2845 8.2856 8.4798 8.4800 k = 0.3779 0.4239 0.2543 ( 2710 PWs) bands (ev): -28.4023 -28.4023 -24.1321 -24.1320 -17.7871 -17.7870 -12.4165 -12.4164 -12.2155 -12.2155 -11.6002 -11.6002 -5.7384 -5.7317 -5.0038 -4.9922 -3.5408 -3.5385 -3.1489 -3.1440 2.9428 2.9584 3.5401 3.5412 3.9027 3.9162 5.5425 5.5438 7.4670 7.4695 8.3069 8.3081 8.4517 8.4518 k = 0.3709 0.4160 0.2543 ( 2706 PWs) bands (ev): -28.4046 -28.4046 -24.1367 -24.1367 -17.7780 -17.7779 -12.4084 -12.4084 -12.2087 -12.2086 -11.6025 -11.6025 -5.7579 -5.7512 -4.9950 -4.9834 -3.5292 -3.5268 -3.1355 -3.1305 2.9002 2.9159 3.5394 3.5405 3.9021 3.9156 5.5703 5.5718 7.4832 7.4856 8.3291 8.3305 8.4263 8.4266 k = 0.3639 0.4082 0.2543 ( 2712 PWs) bands (ev): -28.4071 -28.4071 -24.1416 -24.1416 -17.7685 -17.7684 -12.4001 -12.4000 -12.2014 -12.2014 -11.6049 -11.6049 -5.7769 -5.7703 -4.9868 -4.9751 -3.5169 -3.5144 -3.1222 -3.1169 2.8559 2.8716 3.5386 3.5398 3.9014 3.9149 5.5960 5.5978 7.4999 7.5023 8.3505 8.3522 8.4041 8.4048 k = 0.3569 0.4003 0.2543 ( 2711 PWs) bands (ev): -28.4097 -28.4097 -24.1467 -24.1467 -17.7586 -17.7585 -12.3914 -12.3914 -12.1937 -12.1937 -11.6073 -11.6073 -5.7952 -5.7887 -4.9792 -4.9674 -3.5041 -3.5015 -3.1090 -3.1036 2.8098 2.8256 3.5379 3.5390 3.9006 3.9140 5.6189 5.6210 7.5173 7.5197 8.3700 8.3726 8.3854 8.3872 k = 0.3499 0.3925 0.2543 ( 2711 PWs) bands (ev): -28.4123 -28.4123 -24.1520 -24.1519 -17.7483 -17.7482 -12.3825 -12.3824 -12.1855 -12.1855 -11.6099 -11.6099 -5.8130 -5.8066 -4.9720 -4.9601 -3.4906 -3.4879 -3.0961 -3.0905 2.7622 2.7779 3.5370 3.5382 3.8997 3.9130 5.6384 5.6409 7.5353 7.5377 8.3704 8.3706 8.3903 8.3910 k = 0.3429 0.3846 0.2543 ( 2714 PWs) bands (ev): -28.4151 -28.4151 -24.1574 -24.1574 -17.7377 -17.7375 -12.3733 -12.3732 -12.1769 -12.1769 -11.6125 -11.6125 -5.8302 -5.8238 -4.9652 -4.9533 -3.4766 -3.4737 -3.0835 -3.0779 2.7129 2.7286 3.5362 3.5373 3.8986 3.9118 5.6539 5.6568 7.5540 7.5563 8.3594 8.3605 8.4051 8.4064 k = 0.3359 0.3768 0.2543 ( 2715 PWs) bands (ev): -28.4179 -28.4179 -24.1630 -24.1630 -17.7267 -17.7266 -12.3638 -12.3637 -12.1679 -12.1679 -11.6152 -11.6152 -5.8468 -5.8405 -4.9588 -4.9469 -3.4619 -3.4589 -3.0714 -3.0657 2.6621 2.6778 3.5352 3.5364 3.8975 3.9105 5.6647 5.6680 7.5732 7.5755 8.3526 8.3541 8.4161 8.4177 k = 0.3289 0.3689 0.2543 ( 2716 PWs) bands (ev): -28.4208 -28.4208 -24.1687 -24.1687 -17.7154 -17.7153 -12.3541 -12.3540 -12.1584 -12.1584 -11.6180 -11.6180 -5.8627 -5.8565 -4.9527 -4.9408 -3.4466 -3.4435 -3.0599 -3.0540 2.6099 2.6255 3.5342 3.5353 3.8964 3.9091 5.6703 5.6740 7.5930 7.5952 8.3499 8.3519 8.4221 8.4238 k = 0.3219 0.3611 0.2543 ( 2716 PWs) bands (ev): -28.4238 -28.4238 -24.1746 -24.1746 -17.7039 -17.7037 -12.3441 -12.3440 -12.1485 -12.1485 -11.6209 -11.6209 -5.8779 -5.8718 -4.9469 -4.9349 -3.4307 -3.4275 -3.0491 -3.0431 2.5564 2.5718 3.5332 3.5343 3.8951 3.9077 5.6703 5.6744 7.6131 7.6153 8.3514 8.3539 8.4217 8.4235 k = 0.3149 0.3532 0.2543 ( 2716 PWs) bands (ev): -28.4269 -28.4269 -24.1806 -24.1806 -17.6920 -17.6918 -12.3339 -12.3338 -12.1382 -12.1382 -11.6238 -11.6238 -5.8926 -5.8866 -4.9412 -4.9292 -3.4142 -3.4109 -3.0390 -3.0329 2.5015 2.5168 3.5320 3.5331 3.8939 3.9062 5.6642 5.6688 7.6336 7.6357 8.3571 8.3599 8.4144 8.4161 k = 0.3079 0.3454 0.2543 ( 2717 PWs) bands (ev): -28.4300 -28.4300 -24.1867 -24.1867 -17.6799 -17.6797 -12.3236 -12.3234 -12.1274 -12.1274 -11.6268 -11.6268 -5.9066 -5.9007 -4.9356 -4.9236 -3.3972 -3.3938 -3.0298 -3.0236 2.4454 2.4606 3.5308 3.5318 3.8926 3.9046 5.6518 5.6569 7.6540 7.6562 8.3666 8.3697 8.3997 8.4012 k = 0.3009 0.3375 0.2543 ( 2719 PWs) bands (ev): -28.4332 -28.4332 -24.1930 -24.1929 -17.6676 -17.6674 -12.3130 -12.3129 -12.1163 -12.1163 -11.6299 -11.6298 -5.9200 -5.9142 -4.9301 -4.9181 -3.3796 -3.3761 -3.0215 -3.0152 2.3881 2.4031 3.5295 3.5304 3.8912 3.9030 5.6329 5.6384 7.6743 7.6764 8.3751 8.3779 8.3809 8.3858 k = 0.2939 0.3297 0.2543 ( 2719 PWs) bands (ev): -28.4365 -28.4365 -24.1993 -24.1992 -17.6550 -17.6549 -12.3022 -12.3021 -12.1048 -12.1048 -11.6329 -11.6329 -5.9328 -5.9270 -4.9245 -4.9125 -3.3614 -3.3578 -3.0141 -3.0078 2.3297 2.3446 3.5280 3.5289 3.8899 3.9015 5.6076 5.6135 7.6941 7.6963 8.3481 8.3502 8.3963 8.4011 k = 0.2869 0.3218 0.2543 ( 2711 PWs) bands (ev): -28.4398 -28.4398 -24.2057 -24.2056 -17.6423 -17.6421 -12.2913 -12.2912 -12.0930 -12.0930 -11.6360 -11.6359 -5.9450 -5.9393 -4.9187 -4.9068 -3.3426 -3.3389 -3.0079 -3.0015 2.2703 2.2850 3.5265 3.5273 3.8887 3.8999 5.5759 5.5822 7.7134 7.7156 8.3142 8.3160 8.4155 8.4206 k = 0.2799 0.3140 0.2543 ( 2711 PWs) bands (ev): -28.4431 -28.4431 -24.2121 -24.2121 -17.6294 -17.6292 -12.2802 -12.2801 -12.0809 -12.0809 -11.6391 -11.6390 -5.9566 -5.9511 -4.9128 -4.9009 -3.3233 -3.3195 -3.0028 -2.9963 2.2100 2.2245 3.5248 3.5256 3.8874 3.8984 5.5381 5.5447 7.7319 7.7341 8.2758 8.2775 8.4370 8.4424 k = 0.2729 0.3061 0.2543 ( 2712 PWs) bands (ev): -28.4465 -28.4465 -24.2186 -24.2186 -17.6164 -17.6162 -12.2690 -12.2688 -12.0685 -12.0685 -11.6422 -11.6421 -5.9677 -5.9623 -4.9067 -4.8948 -3.3034 -3.2995 -2.9989 -2.9924 2.1489 2.1631 3.5229 3.5237 3.8862 3.8969 5.4944 5.5013 7.7496 7.7517 8.2341 8.2356 8.4602 8.4660 k = 0.2659 0.2983 0.2543 ( 2708 PWs) bands (ev): -28.4499 -28.4499 -24.2252 -24.2251 -17.6032 -17.6030 -12.2577 -12.2575 -12.0558 -12.0558 -11.6453 -11.6452 -5.9783 -5.9729 -4.9001 -4.8883 -3.2831 -3.2791 -2.9962 -2.9896 2.0869 2.1010 3.5210 3.5216 3.8851 3.8954 5.4451 5.4524 7.7663 7.7684 8.1900 8.1914 8.4847 8.4908 k = 0.2589 0.2904 0.2543 ( 2708 PWs) bands (ev): -28.4533 -28.4533 -24.2318 -24.2317 -17.5900 -17.5898 -12.2462 -12.2460 -12.0429 -12.0428 -11.6484 -11.6483 -5.9883 -5.9831 -4.8932 -4.8815 -3.2622 -3.2581 -2.9948 -2.9882 2.0243 2.0382 3.5188 3.5194 3.8840 3.8941 5.3908 5.3983 7.7822 7.7842 8.1443 8.1456 8.5102 8.5166 k = 0.2519 0.2826 0.2543 ( 2710 PWs) bands (ev): -28.4568 -28.4567 -24.2384 -24.2383 -17.5766 -17.5765 -12.2347 -12.2345 -12.0298 -12.0297 -11.6515 -11.6514 -5.9979 -5.9928 -4.8859 -4.8741 -3.2408 -3.2366 -2.9947 -2.9881 1.9611 1.9748 3.5165 3.5170 3.8830 3.8927 5.3320 5.3396 7.7972 7.7992 8.0977 8.0989 8.5362 8.5429 k = 0.2449 0.2747 0.2543 ( 2706 PWs) bands (ev): -28.4602 -28.4602 -24.2449 -24.2449 -17.5633 -17.5631 -12.2231 -12.2229 -12.0165 -12.0164 -11.6545 -11.6544 -6.0071 -6.0021 -4.8780 -4.8663 -3.2189 -3.2147 -2.9959 -2.9893 1.8975 1.9109 3.5140 3.5144 3.8821 3.8915 5.2690 5.2768 7.8115 7.8134 8.0506 8.0517 8.5627 8.5697 k = 0.2379 0.2669 0.2543 ( 2714 PWs) bands (ev): -28.4637 -28.4637 -24.2515 -24.2515 -17.5499 -17.5497 -12.2115 -12.2112 -12.0031 -12.0030 -11.6575 -11.6574 -6.0158 -6.0109 -4.8695 -4.8579 -3.1966 -3.1923 -2.9985 -2.9918 1.8334 1.8465 3.5113 3.5117 3.8813 3.8904 5.2024 5.2103 7.8253 7.8270 8.0034 8.0044 8.5897 8.5969 k = 0.2309 0.2590 0.2543 ( 2716 PWs) bands (ev): -28.4671 -28.4671 -24.2581 -24.2581 -17.5366 -17.5364 -12.1998 -12.1995 -11.9895 -11.9895 -11.6604 -11.6603 -6.0242 -6.0194 -4.8604 -4.8489 -3.1739 -3.1695 -3.0025 -2.9958 1.7690 1.7819 3.5085 3.5087 3.8805 3.8893 5.1328 5.1407 7.8385 7.8401 7.9565 7.9575 8.6171 8.6245 k = 0.2239 0.2512 0.2543 ( 2718 PWs) bands (ev): -28.4706 -28.4706 -24.2646 -24.2646 -17.5233 -17.5231 -12.1881 -12.1878 -11.9760 -11.9759 -11.6633 -11.6631 -6.0322 -6.0275 -4.8505 -4.8391 -3.1507 -3.1462 -3.0078 -3.0011 1.7044 1.7170 3.5054 3.5056 3.8799 3.8884 5.0606 5.0686 7.8514 7.8529 7.9101 7.9112 8.6451 8.6527 k = 0.2169 0.2433 0.2543 ( 2716 PWs) bands (ev): -28.4740 -28.4740 -24.2711 -24.2711 -17.5100 -17.5098 -12.1763 -12.1761 -11.9623 -11.9623 -11.6660 -11.6659 -6.0398 -6.0353 -4.8400 -4.8287 -3.1271 -3.1225 -3.0144 -3.0078 1.6397 1.6521 3.5022 3.5022 3.8794 3.8876 4.9864 4.9943 7.8606 7.8637 7.8663 7.8690 8.6736 8.6814 k = 0.2099 0.2355 0.2543 ( 2723 PWs) bands (ev): -28.4774 -28.4774 -24.2775 -24.2775 -17.4969 -17.4967 -12.1647 -12.1644 -11.9487 -11.9487 -11.6687 -11.6685 -6.0472 -6.0428 -4.8287 -4.8175 -3.1032 -3.0985 -3.0225 -3.0158 1.5750 1.5871 3.4987 3.4988 3.8790 3.8869 4.9106 4.9184 7.8195 7.8199 7.8777 7.8782 8.7027 8.7108 k = 0.2029 0.2276 0.2543 ( 2718 PWs) bands (ev): -28.4808 -28.4808 -24.2839 -24.2839 -17.4838 -17.4837 -12.1531 -12.1528 -11.9351 -11.9351 -11.6712 -11.6711 -6.0543 -6.0500 -4.8165 -4.8054 -3.0791 -3.0741 -3.0317 -3.0253 1.5104 1.5223 3.4950 3.4952 3.8787 3.8863 4.8336 4.8415 7.7757 7.7762 7.8904 7.8908 8.7326 8.7408 k = 0.1959 0.2198 0.2543 ( 2719 PWs) bands (ev): -28.4841 -28.4841 -24.2901 -24.2901 -17.4709 -17.4708 -12.1416 -12.1413 -11.9216 -11.9215 -11.6736 -11.6735 -6.0611 -6.0570 -4.8036 -4.7926 -3.0556 -3.0495 -3.0413 -3.0360 1.4460 1.4576 3.4911 3.4914 3.8785 3.8858 4.7560 4.7638 7.7330 7.7335 7.9032 7.9035 8.7630 8.7714 k = 0.1890 0.2119 0.2543 ( 2717 PWs) bands (ev): -28.4874 -28.4874 -24.2963 -24.2963 -17.4582 -17.4580 -12.1303 -12.1299 -11.9082 -11.9081 -11.6759 -11.6757 -6.0677 -6.0637 -4.7898 -4.7789 -3.0558 -3.0482 -3.0283 -3.0245 1.3819 1.3933 3.4871 3.4874 3.8784 3.8854 4.6782 4.6858 7.6915 7.6920 7.9163 7.9163 8.7941 8.8027 k = 0.1820 0.2041 0.2543 ( 2717 PWs) bands (ev): -28.4906 -28.4906 -24.3024 -24.3023 -17.4457 -17.4455 -12.1191 -12.1187 -11.8949 -11.8948 -11.6780 -11.6778 -6.0740 -6.0702 -4.7751 -4.7644 -3.0687 -3.0615 -3.0036 -2.9993 1.3183 1.3294 3.4828 3.4833 3.8784 3.8851 4.6004 4.6079 7.6512 7.6517 7.9292 7.9294 8.8258 8.8345 k = 0.1750 0.1962 0.2543 ( 2715 PWs) bands (ev): -28.4938 -28.4938 -24.3083 -24.3083 -17.4334 -17.4332 -12.1080 -12.1077 -11.8818 -11.8817 -11.6800 -11.6798 -6.0802 -6.0765 -4.7596 -4.7490 -3.0832 -3.0761 -2.9784 -2.9740 1.2553 1.2661 3.4784 3.4790 3.8786 3.8850 4.5232 4.5306 7.6123 7.6128 7.9423 7.9427 8.8581 8.8669 k = 0.1680 0.1884 0.2543 ( 2705 PWs) bands (ev): -28.4969 -28.4969 -24.3141 -24.3141 -17.4213 -17.4211 -12.0972 -12.0968 -11.8689 -11.8688 -11.6818 -11.6815 -6.0861 -6.0826 -4.7432 -4.7328 -3.0989 -3.0918 -2.9529 -2.9485 1.1929 1.2035 3.4739 3.4746 3.8788 3.8850 4.4469 4.4541 7.5748 7.5752 7.9554 7.9560 8.8907 8.8997 k = 0.1610 0.1805 0.2543 ( 2701 PWs) bands (ev): -28.5000 -28.5000 -24.3197 -24.3197 -17.4095 -17.4093 -12.0867 -12.0863 -11.8563 -11.8562 -11.6833 -11.6831 -6.0919 -6.0885 -4.7259 -4.7157 -3.1157 -3.1087 -2.9274 -2.9229 1.1314 1.1416 3.4691 3.4700 3.8791 3.8850 4.3717 4.3788 7.5387 7.5391 7.9685 7.9693 8.9237 8.9327 k = 0.1540 0.1727 0.2543 ( 2705 PWs) bands (ev): -28.5029 -28.5029 -24.3253 -24.3252 -17.3980 -17.3978 -12.0765 -12.0761 -11.8439 -11.8438 -11.6847 -11.6845 -6.0974 -6.0942 -4.7078 -4.6978 -3.1337 -3.1267 -2.9018 -2.8973 1.0707 1.0807 3.4642 3.4652 3.8795 3.8851 4.2980 4.3050 7.5040 7.5044 7.9816 7.9826 8.9568 8.9659 k = 0.1470 0.1648 0.2543 ( 2706 PWs) bands (ev): -28.5058 -28.5058 -24.3306 -24.3306 -17.3868 -17.3866 -12.0666 -12.0662 -11.8319 -11.8318 -11.6858 -11.6856 -6.1028 -6.0997 -4.6890 -4.6791 -3.1526 -3.1457 -2.8762 -2.8718 1.0112 1.0209 3.4591 3.4602 3.8800 3.8853 4.2262 4.2330 7.4708 7.4712 7.9945 7.9956 8.9899 8.9991 k = 0.1400 0.1570 0.2543 ( 2708 PWs) bands (ev): -28.5086 -28.5086 -24.3358 -24.3357 -17.3760 -17.3758 -12.0570 -12.0566 -11.8202 -11.8201 -11.6868 -11.6866 -6.1080 -6.1051 -4.6694 -4.6597 -3.1725 -3.1657 -2.8508 -2.8464 0.9529 0.9622 3.4538 3.4550 3.8805 3.8855 4.1564 4.1631 7.4391 7.4395 8.0072 8.0085 9.0230 9.0321 k = 0.1330 0.1491 0.2543 ( 2708 PWs) bands (ev): -28.5113 -28.5113 -24.3407 -24.3407 -17.3655 -17.3653 -12.0479 -12.0475 -11.8090 -11.8089 -11.6874 -11.6872 -6.1131 -6.1103 -4.6491 -4.6396 -3.1932 -3.1864 -2.8255 -2.8211 0.8959 0.9049 3.4483 3.4496 3.8811 3.8858 4.0890 4.0956 7.4090 7.4093 8.0196 8.0210 9.0556 9.0647 k = 0.1260 0.1413 0.2543 ( 2709 PWs) bands (ev): -28.5139 -28.5139 -24.3455 -24.3455 -17.3554 -17.3553 -12.0391 -12.0387 -11.7981 -11.7980 -11.6879 -11.6877 -6.1179 -6.1153 -4.6282 -4.6189 -3.2147 -3.2079 -2.8005 -2.7962 0.8405 0.8491 3.4426 3.4440 3.8817 3.8862 4.0243 4.0307 7.3803 7.3806 8.0315 8.0330 9.0878 9.0968 k = 0.1190 0.1334 0.2543 ( 2709 PWs) bands (ev): -28.5164 -28.5164 -24.3501 -24.3501 -17.3457 -17.3456 -12.0308 -12.0304 -11.7878 -11.7876 -11.6881 -11.6879 -6.1226 -6.1201 -4.6067 -4.5976 -3.2368 -3.2301 -2.7758 -2.7716 0.7867 0.7950 3.4366 3.4381 3.8824 3.8866 3.9624 3.9687 7.3532 7.3535 8.0430 8.0446 9.1194 9.1282 k = 0.1120 0.1256 0.2543 ( 2705 PWs) bands (ev): -28.5188 -28.5188 -24.3545 -24.3544 -17.3365 -17.3364 -12.0229 -12.0225 -11.7779 -11.7778 -11.6880 -11.6878 -6.1271 -6.1248 -4.5847 -4.5759 -3.2594 -3.2528 -2.7516 -2.7475 0.7347 0.7427 3.4302 3.4319 3.8829 3.8869 3.9039 3.9100 7.3277 7.3279 8.0539 8.0556 9.1500 9.1587 k = 0.1050 0.1177 0.2543 ( 2701 PWs) bands (ev): -28.5210 -28.5210 -24.3586 -24.3586 -17.3277 -17.3276 -12.0155 -12.0151 -11.7686 -11.7685 -11.6876 -11.6874 -6.1313 -6.1292 -4.5624 -4.5538 -3.2824 -3.2760 -2.7279 -2.7239 0.6847 0.6922 3.4234 3.4252 3.8483 3.8542 3.8841 3.8878 7.3037 7.3039 8.0643 8.0659 9.1796 9.1880 k = 0.0980 0.1099 0.2543 ( 2698 PWs) bands (ev): -28.5232 -28.5232 -24.3625 -24.3625 -17.3194 -17.3193 -12.0086 -12.0083 -11.7599 -11.7598 -11.6870 -11.6868 -6.1354 -6.1334 -4.5398 -4.5315 -3.3057 -3.2994 -2.7049 -2.7011 0.6368 0.6440 3.4161 3.4180 3.7968 3.8026 3.8848 3.8882 7.2812 7.2815 8.0739 8.0756 9.2080 9.2161 k = 0.0910 0.1020 0.2543 ( 2696 PWs) bands (ev): -28.5252 -28.5252 -24.3662 -24.3662 -17.3115 -17.3114 -12.0023 -12.0019 -11.7519 -11.7517 -11.6860 -11.6859 -6.1392 -6.1374 -4.5171 -4.5091 -3.3291 -3.3229 -2.6827 -2.6790 0.5912 0.5980 3.4082 3.4102 3.7493 3.7549 3.8856 3.8888 7.2603 7.2605 8.0829 8.0845 9.2350 9.2427 k = 0.0840 0.0942 0.2543 ( 2694 PWs) bands (ev): -28.5271 -28.5271 -24.3696 -24.3696 -17.3042 -17.3041 -11.9964 -11.9960 -11.7445 -11.7443 -11.6849 -11.6848 -6.1428 -6.1411 -4.4945 -4.4868 -3.3524 -3.3463 -2.6613 -2.6579 0.5481 0.5545 3.3995 3.4016 3.7061 3.7115 3.8863 3.8893 7.2410 7.2412 8.0911 8.0927 9.2604 9.2676 k = 0.0770 0.0863 0.2543 ( 2694 PWs) bands (ev): -28.5288 -28.5288 -24.3728 -24.3728 -17.2974 -17.2973 -11.9910 -11.9907 -11.7379 -11.7377 -11.6834 -11.6834 -6.1462 -6.1447 -4.4721 -4.4648 -3.3754 -3.3696 -2.6410 -2.6378 0.5076 0.5135 3.3900 3.3920 3.6674 3.6725 3.8871 3.8898 7.2232 7.2234 8.0986 8.1001 9.2841 9.2908 k = 0.0700 0.0785 0.2543 ( 2696 PWs) bands (ev): -28.5304 -28.5304 -24.3757 -24.3757 -17.2912 -17.2911 -11.9861 -11.9858 -11.7319 -11.7317 -11.6818 -11.6817 -6.1493 -6.1479 -4.4501 -4.4432 -3.3979 -3.3923 -2.6219 -2.6188 0.4700 0.4754 3.3795 3.3815 3.6335 3.6383 3.8878 3.8902 7.2070 7.2072 8.1054 8.1068 9.3060 9.3122 k = 0.0630 0.0706 0.2543 ( 2694 PWs) bands (ev): -28.5319 -28.5319 -24.3784 -24.3784 -17.2854 -17.2854 -11.9818 -11.9815 -11.7267 -11.7265 -11.6799 -11.6799 -6.1522 -6.1509 -4.4288 -4.4223 -3.4197 -3.4144 -2.6041 -2.6012 0.4353 0.4403 3.3681 3.3701 3.6045 3.6089 3.8885 3.8907 7.1923 7.1925 8.1114 8.1127 9.3259 9.3316 k = 0.0560 0.0628 0.2543 ( 2696 PWs) bands (ev): -28.5332 -28.5332 -24.3808 -24.3808 -17.2803 -17.2802 -11.9779 -11.9776 -11.7223 -11.7221 -11.6780 -11.6780 -6.1547 -6.1536 -4.4084 -4.4024 -3.4404 -3.4355 -2.5876 -2.5850 0.4038 0.4083 3.3561 3.3578 3.5802 3.5841 3.8892 3.8911 7.1792 7.1793 8.1167 8.1179 9.3440 9.3491 k = 0.0490 0.0549 0.2543 ( 2701 PWs) bands (ev): -28.5344 -28.5344 -24.3829 -24.3829 -17.2757 -17.2757 -11.9745 -11.9743 -11.7185 -11.7183 -11.6760 -11.6760 -6.1570 -6.1560 -4.3892 -4.3837 -3.4598 -3.4553 -2.5728 -2.5704 0.3756 0.3795 3.3437 3.3452 3.5603 3.5638 3.8898 3.8914 7.1677 7.1678 8.1213 8.1224 9.3600 9.3645 k = 0.0420 0.0471 0.2543 ( 2699 PWs) bands (ev): -28.5354 -28.5354 -24.3848 -24.3848 -17.2718 -17.2717 -11.9716 -11.9714 -11.7154 -11.7152 -11.6740 -11.6740 -6.1590 -6.1582 -4.3715 -4.3666 -3.4776 -3.4735 -2.5595 -2.5575 0.3509 0.3543 3.3315 3.3327 3.5446 3.5475 3.8903 3.8918 7.1576 7.1577 8.1253 8.1262 9.3739 9.3778 k = 0.0350 0.0392 0.2543 ( 2699 PWs) bands (ev): -28.5363 -28.5363 -24.3864 -24.3863 -17.2684 -17.2683 -11.9692 -11.9690 -11.7128 -11.7127 -11.6721 -11.6721 -6.1607 -6.1600 -4.3556 -4.3514 -3.4934 -3.4899 -2.5481 -2.5464 0.3297 0.3326 3.3200 3.3210 3.5323 3.5347 3.8908 3.8920 7.1492 7.1493 8.1286 8.1294 9.3859 9.3891 k = 0.0280 0.0314 0.2543 ( 2698 PWs) bands (ev): -28.5370 -28.5370 -24.3876 -24.3876 -17.2656 -17.2656 -11.9672 -11.9670 -11.7108 -11.7107 -11.6705 -11.6705 -6.1621 -6.1615 -4.3419 -4.3384 -3.5068 -3.5039 -2.5386 -2.5372 0.3123 0.3146 3.3097 3.3105 3.5231 3.5250 3.8913 3.8922 7.1423 7.1423 8.1313 8.1319 9.3957 9.3982 k = 0.0210 0.0235 0.2543 ( 2696 PWs) bands (ev): -28.5375 -28.5375 -24.3886 -24.3886 -17.2634 -17.2634 -11.9656 -11.9655 -11.7093 -11.7092 -11.6691 -11.6691 -6.1631 -6.1627 -4.3307 -4.3281 -3.5176 -3.5154 -2.5310 -2.5300 0.2987 0.3004 3.3013 3.3019 3.5164 3.5178 3.8916 3.8923 7.1369 7.1369 8.1334 8.1339 9.4034 9.4053 k = 0.0140 0.0157 0.2543 ( 2694 PWs) bands (ev): -28.5379 -28.5379 -24.3894 -24.3894 -17.2619 -17.2619 -11.9645 -11.9645 -11.7082 -11.7082 -11.6681 -11.6681 -6.1639 -6.1636 -4.3224 -4.3205 -3.5255 -3.5239 -2.5255 -2.5248 0.2890 0.2901 3.2950 3.2954 3.5120 3.5129 3.8919 3.8924 7.1330 7.1331 8.1349 8.1352 9.4090 9.4103 k = 0.0070 0.0078 0.2543 ( 2692 PWs) bands (ev): -28.5382 -28.5382 -24.3898 -24.3898 -17.2609 -17.2609 -11.9639 -11.9638 -11.7076 -11.7076 -11.6674 -11.6674 -6.1643 -6.1642 -4.3170 -4.3161 -3.5301 -3.5293 -2.5221 -2.5217 0.2832 0.2838 3.2912 3.2914 3.5095 3.5099 3.8922 3.8924 7.1307 7.1308 8.1358 8.1360 9.4125 9.4131 k = 0.0000 0.0000 0.2543 ( 2696 PWs) bands (ev): -28.5383 -28.5383 -24.3899 -24.3899 -17.2606 -17.2606 -11.9636 -11.9636 -11.7074 -11.7074 -11.6672 -11.6672 -6.1644 -6.1644 -4.3149 -4.3149 -3.5314 -3.5314 -2.5208 -2.5208 0.2815 0.2815 3.2899 3.2899 3.5088 3.5088 3.8923 3.8923 7.1300 7.1300 8.1361 8.1361 9.4138 9.4138 k = 0.0000 0.0000 0.2543 ( 2696 PWs) bands (ev): -28.5383 -28.5383 -24.3899 -24.3899 -17.2606 -17.2606 -11.9636 -11.9636 -11.7074 -11.7074 -11.6672 -11.6672 -6.1644 -6.1644 -4.3149 -4.3149 -3.5314 -3.5314 -2.5208 -2.5208 0.2815 0.2815 3.2899 3.2899 3.5088 3.5088 3.8923 3.8923 7.1300 7.1300 8.1361 8.1361 9.4138 9.4138 k = 0.0079-0.0071 0.2543 ( 2694 PWs) bands (ev): -28.5382 -28.5382 -24.3898 -24.3898 -17.2610 -17.2610 -11.9639 -11.9638 -11.7076 -11.7076 -11.6675 -11.6675 -6.1638 -6.1637 -4.3143 -4.3141 -3.5334 -3.5334 -2.5216 -2.5213 0.2842 0.2842 3.2914 3.2918 3.5089 3.5099 3.8908 3.8913 7.1316 7.1316 8.1364 8.1364 9.4129 9.4130 k = 0.0159-0.0142 0.2543 ( 2700 PWs) bands (ev): -28.5379 -28.5379 -24.3892 -24.3892 -17.2623 -17.2623 -11.9646 -11.9645 -11.7082 -11.7081 -11.6684 -11.6684 -6.1619 -6.1618 -4.3121 -4.3117 -3.5393 -3.5393 -2.5236 -2.5231 0.2921 0.2921 3.2960 3.2968 3.5103 3.5122 3.8869 3.8879 7.1366 7.1366 8.1371 8.1372 9.4103 9.4105 k = 0.0238-0.0212 0.2543 ( 2700 PWs) bands (ev): -28.5374 -28.5374 -24.3883 -24.3883 -17.2644 -17.2644 -11.9658 -11.9656 -11.7093 -11.7091 -11.6698 -11.6697 -6.1587 -6.1586 -4.3083 -4.3078 -3.5491 -3.5491 -2.5268 -2.5260 0.3053 0.3054 3.3036 3.3049 3.5128 3.5157 3.8806 3.8822 7.1448 7.1448 8.1383 8.1384 9.4059 9.4062 k = 0.0317-0.0283 0.2543 ( 2692 PWs) bands (ev): -28.5367 -28.5367 -24.3871 -24.3871 -17.2673 -17.2673 -11.9674 -11.9672 -11.7108 -11.7106 -11.6716 -11.6715 -6.1543 -6.1541 -4.3031 -4.3024 -3.5627 -3.5626 -2.5312 -2.5302 0.3236 0.3237 3.3141 3.3158 3.5167 3.5207 3.8722 3.8744 7.1563 7.1564 8.1400 8.1400 9.3999 9.4003 k = 0.0397-0.0354 0.2543 ( 2684 PWs) bands (ev): -28.5358 -28.5358 -24.3854 -24.3854 -17.2711 -17.2710 -11.9695 -11.9693 -11.7128 -11.7126 -11.6738 -11.6736 -6.1486 -6.1484 -4.2964 -4.2955 -3.5799 -3.5798 -2.5369 -2.5356 0.3469 0.3471 3.3271 3.3293 3.5219 3.5270 3.8619 3.8648 7.1712 7.1712 8.1420 8.1421 9.3922 9.3927 k = 0.0476-0.0425 0.2543 ( 2686 PWs) bands (ev): -28.5348 -28.5348 -24.3835 -24.3835 -17.2756 -17.2756 -11.9721 -11.9718 -11.7156 -11.7153 -11.6762 -11.6760 -6.1416 -6.1414 -4.2882 -4.2872 -3.6006 -3.6005 -2.5439 -2.5423 0.3751 0.3753 3.3420 3.3448 3.5285 3.5349 3.8503 3.8538 7.1892 7.1893 8.1442 8.1444 9.3829 9.3835 k = 0.0556-0.0495 0.2543 ( 2686 PWs) bands (ev): -28.5335 -28.5335 -24.3812 -24.3812 -17.2809 -17.2809 -11.9753 -11.9749 -11.7191 -11.7187 -11.6786 -11.6784 -6.1335 -6.1332 -4.2786 -4.2774 -3.6246 -3.6245 -2.5520 -2.5502 0.4080 0.4082 3.3583 3.3616 3.5366 3.5442 3.8380 3.8422 7.2105 7.2106 8.1467 8.1469 9.3721 9.3727 k = 0.0635-0.0566 0.2543 ( 2684 PWs) bands (ev): -28.5321 -28.5321 -24.3785 -24.3785 -17.2871 -17.2870 -11.9789 -11.9785 -11.7235 -11.7230 -11.6810 -11.6807 -6.1242 -6.1239 -4.2676 -4.2662 -3.6516 -3.6515 -2.5613 -2.5593 0.4453 0.4455 3.3752 3.3789 3.5461 3.5548 3.8262 3.8311 7.2350 7.2351 8.1493 8.1495 9.3598 9.3605 k = 0.0714-0.0637 0.2543 ( 2688 PWs) bands (ev): -28.5305 -28.5305 -24.3755 -24.3755 -17.2939 -17.2939 -11.9831 -11.9826 -11.7288 -11.7283 -11.6831 -11.6827 -6.1138 -6.1134 -4.2553 -4.2537 -3.6814 -3.6813 -2.5719 -2.5696 0.4869 0.4871 3.3920 3.3958 3.5565 3.5659 3.8165 3.8218 7.2626 7.2627 8.1519 8.1521 9.3461 9.3469 k = 0.0794-0.0708 0.2543 ( 2690 PWs) bands (ev): -28.5288 -28.5287 -24.3722 -24.3722 -17.3015 -17.3015 -11.9879 -11.9873 -11.7351 -11.7346 -11.6849 -11.6845 -6.1022 -6.1018 -4.2417 -4.2399 -3.7138 -3.7137 -2.5836 -2.5810 0.5325 0.5327 3.4078 3.4113 3.5667 3.5759 3.8112 3.8167 7.2934 7.2935 8.1543 8.1545 9.3312 9.3320 k = 0.0873-0.0778 0.2543 ( 2692 PWs) bands (ev): -28.5268 -28.5268 -24.3686 -24.3686 -17.3098 -17.3098 -11.9932 -11.9926 -11.7424 -11.7418 -11.6863 -11.6859 -6.0896 -6.0892 -4.2268 -4.2248 -3.7486 -3.7485 -2.5965 -2.5937 0.5819 0.5821 3.4218 3.4244 3.5748 3.5826 3.8136 3.8185 7.3273 7.3274 8.1565 8.1567 9.3150 9.3160 k = 0.0952-0.0849 0.2543 ( 2696 PWs) bands (ev): -28.5247 -28.5247 -24.3647 -24.3646 -17.3188 -17.3188 -11.9991 -11.9985 -11.7506 -11.7499 -11.6874 -11.6869 -6.0759 -6.0755 -4.2108 -4.2086 -3.7854 -3.7853 -2.6105 -2.6074 0.6348 0.6350 3.4334 3.4343 3.5792 3.5840 3.8264 3.8299 7.3642 7.3643 8.1582 8.1584 9.2978 9.2989 k = 0.1032-0.0920 0.2543 ( 2696 PWs) bands (ev): -28.5224 -28.5224 -24.3604 -24.3604 -17.3284 -17.3284 -12.0056 -12.0049 -11.7596 -11.7589 -11.6881 -11.6876 -6.0612 -6.0608 -4.1936 -4.1912 -3.8241 -3.8241 -2.6256 -2.6222 0.6910 0.6913 3.4401 3.4416 3.5794 3.5799 3.8507 3.8524 7.4040 7.4041 8.1593 8.1596 9.2797 9.2808 k = 0.1111-0.0991 0.2543 ( 2700 PWs) bands (ev): -28.5200 -28.5200 -24.3559 -24.3559 -17.3387 -17.3386 -12.0127 -12.0120 -11.7694 -11.7687 -11.6885 -11.6880 -6.0456 -6.0452 -4.1754 -4.1728 -3.8644 -3.8643 -2.6417 -2.6381 0.7503 0.7505 3.4406 3.4453 3.5726 3.5769 3.8854 3.8857 7.4468 7.4469 8.1597 8.1600 9.2608 9.2620 k = 0.1190-0.1061 0.2543 ( 2706 PWs) bands (ev): -28.5174 -28.5174 -24.3510 -24.3510 -17.3495 -17.3495 -12.0204 -12.0196 -11.7799 -11.7792 -11.6885 -11.6880 -6.0291 -6.0287 -4.1564 -4.1535 -3.9061 -3.9059 -2.6588 -2.6550 0.8124 0.8127 3.4349 3.4428 3.5656 3.5744 3.9278 3.9293 7.4924 7.4925 8.1592 8.1596 9.2413 9.2425 k = 0.1270-0.1132 0.2543 ( 2708 PWs) bands (ev): -28.5147 -28.5147 -24.3459 -24.3459 -17.3609 -17.3609 -12.0287 -12.0279 -11.7910 -11.7903 -11.6882 -11.6877 -6.0118 -6.0114 -4.1367 -4.1336 -3.9488 -3.9484 -2.6768 -2.6728 0.8772 0.8774 3.4225 3.4328 3.5619 3.5740 3.9775 3.9800 7.5407 7.5408 8.1577 8.1581 9.2212 9.2225 k = 0.1349-0.1203 0.2543 ( 2706 PWs) bands (ev): -28.5119 -28.5119 -24.3406 -24.3406 -17.3728 -17.3728 -12.0375 -12.0367 -11.8027 -11.8019 -11.6876 -11.6871 -5.9937 -5.9932 -4.1169 -4.1133 -3.9919 -3.9912 -2.6957 -2.6915 0.9444 0.9446 3.4044 3.4157 3.5624 3.5763 4.0332 4.0365 7.5916 7.5918 8.1550 8.1555 9.2007 9.2021 k = 0.1429-0.1274 0.2543 ( 2704 PWs) bands (ev): -28.5089 -28.5089 -24.3350 -24.3350 -17.3852 -17.3852 -12.0469 -12.0461 -11.8149 -11.8141 -11.6867 -11.6862 -5.9749 -5.9744 -4.0991 -4.0949 -4.0335 -4.0318 -2.7155 -2.7110 1.0137 1.0140 3.3817 3.3932 3.5666 3.5810 4.0939 4.0978 7.6451 7.6453 8.1511 8.1516 9.1797 9.1813 k = 0.1508-0.1344 0.2543 ( 2708 PWs) bands (ev): -28.5058 -28.5058 -24.3291 -24.3291 -17.3981 -17.3980 -12.0569 -12.0560 -11.8276 -11.8267 -11.6856 -11.6850 -5.9553 -5.9548 -4.1010 -4.0972 -4.0553 -4.0521 -2.7360 -2.7312 1.0851 1.0853 3.3561 3.3672 3.5731 3.5875 4.1588 4.1631 7.7009 7.7011 8.1457 8.1463 9.1585 9.1601 k = 0.1587-0.1415 0.2543 ( 2710 PWs) bands (ev): -28.5026 -28.5026 -24.3231 -24.3231 -17.4113 -17.4113 -12.0674 -12.0665 -11.8406 -11.8398 -11.6842 -11.6836 -5.9352 -5.9347 -4.1376 -4.1358 -4.0408 -4.0374 -2.7572 -2.7522 1.1582 1.1584 3.3285 3.3392 3.5810 3.5953 4.2272 4.2318 7.7588 7.7591 8.1387 8.1394 9.1371 9.1387 k = 0.1667-0.1486 0.2543 ( 2712 PWs) bands (ev): -28.4992 -28.4992 -24.3168 -24.3168 -17.4249 -17.4249 -12.0784 -12.0774 -11.8540 -11.8531 -11.6825 -11.6820 -5.9145 -5.9140 -4.1819 -4.1807 -4.0192 -4.0155 -2.7790 -2.7737 1.2330 1.2332 3.2999 3.3102 3.5900 3.6039 4.2986 4.3034 7.8187 7.8190 8.1301 8.1309 9.1154 9.1172 k = 0.1746-0.1557 0.2543 ( 2710 PWs) bands (ev): -28.4958 -28.4958 -24.3103 -24.3103 -17.4389 -17.4388 -12.0899 -12.0889 -11.8677 -11.8668 -11.6806 -11.6800 -5.8933 -5.8928 -4.2277 -4.2268 -3.9962 -3.9921 -2.8013 -2.7958 1.3093 1.3095 3.2709 3.2808 3.5995 3.6131 4.3724 4.3774 7.8804 7.8807 8.1197 8.1207 9.0937 9.0955 k = 0.1825-0.1627 0.2543 ( 2712 PWs) bands (ev): -28.4923 -28.4923 -24.3037 -24.3037 -17.4531 -17.4531 -12.1017 -12.1007 -11.8816 -11.8807 -11.6785 -11.6779 -5.8716 -5.8711 -4.2740 -4.2732 -3.9725 -3.9682 -2.8241 -2.8184 1.3868 1.3870 3.2420 3.2516 3.6094 3.6227 4.4482 4.4534 7.9433 7.9436 8.1075 8.1085 9.0719 9.0737 k = 0.1905-0.1698 0.2543 ( 2710 PWs) bands (ev): -28.4887 -28.4887 -24.2969 -24.2969 -17.4676 -17.4676 -12.1140 -12.1130 -11.8957 -11.8948 -11.6761 -11.6756 -5.8496 -5.8491 -4.3205 -4.3198 -3.9486 -3.9440 -2.8472 -2.8413 1.4655 1.4657 3.2137 3.2230 3.6195 3.6326 4.5254 4.5308 8.0070 8.0074 8.0934 8.0945 9.0500 9.0518 k = 0.1984-0.1769 0.2543 ( 2710 PWs) bands (ev): -28.4850 -28.4850 -24.2900 -24.2899 -17.4823 -17.4823 -12.1266 -12.1256 -11.9100 -11.9091 -11.6736 -11.6730 -5.8272 -5.8267 -4.3668 -4.3662 -3.9246 -3.9197 -2.8707 -2.8645 1.5451 1.5453 3.1862 3.1954 3.6297 3.6427 4.6038 4.6092 8.0691 8.0699 8.0793 8.0797 9.0282 9.0298 k = 0.2063-0.1840 0.2543 ( 2710 PWs) bands (ev): -28.4813 -28.4813 -24.2829 -24.2829 -17.4972 -17.4971 -12.1396 -12.1385 -11.9244 -11.9234 -11.6709 -11.6703 -5.8046 -5.8041 -4.4129 -4.4123 -3.9006 -3.8955 -2.8943 -2.8880 1.6256 1.6258 3.1599 3.1689 3.6400 3.6528 4.6826 4.6881 8.0580 8.0594 8.1350 8.1355 9.0060 9.0072 k = 0.2143-0.1910 0.2543 ( 2712 PWs) bands (ev): -28.4775 -28.4775 -24.2757 -24.2757 -17.5122 -17.5122 -12.1528 -12.1517 -11.9388 -11.9379 -11.6680 -11.6675 -5.7818 -5.7813 -4.4587 -4.4581 -3.8769 -3.8715 -2.9180 -2.9115 1.7067 1.7069 3.1350 3.1439 3.6502 3.6629 4.7615 4.7670 8.0372 8.0386 8.1966 8.1971 8.9824 8.9828 k = 0.2222-0.1981 0.2543 ( 2712 PWs) bands (ev): -28.4737 -28.4737 -24.2684 -24.2684 -17.5273 -17.5273 -12.1662 -12.1651 -11.9533 -11.9524 -11.6650 -11.6645 -5.7589 -5.7584 -4.5040 -4.5034 -3.8535 -3.8479 -2.9418 -2.9350 1.7884 1.7886 3.1116 3.1205 3.6604 3.6729 4.8397 4.8453 8.0138 8.0151 8.2548 8.2554 8.9530 8.9544 k = 0.2302-0.2052 0.2543 ( 2710 PWs) bands (ev): -28.4698 -28.4698 -24.2611 -24.2610 -17.5425 -17.5424 -12.1798 -12.1788 -11.9678 -11.9669 -11.6618 -11.6613 -5.7359 -5.7354 -4.5487 -4.5482 -3.8307 -3.8247 -2.9654 -2.9585 1.8705 1.8707 3.0901 3.0990 3.6703 3.6828 4.9168 4.9224 7.9879 7.9892 8.3070 8.3080 8.9146 8.9181 k = 0.2381-0.2123 0.2543 ( 2706 PWs) bands (ev): -28.4659 -28.4659 -24.2537 -24.2536 -17.5576 -17.5576 -12.1936 -12.1925 -11.9822 -11.9813 -11.6586 -11.6581 -5.7128 -5.7124 -4.5928 -4.5923 -3.8084 -3.8022 -2.9889 -2.9817 1.9529 1.9531 3.0705 3.0795 3.6801 3.6925 4.9920 4.9975 7.9594 7.9607 8.3503 8.3518 8.8723 8.8773 k = 0.2460-0.2194 0.2543 ( 2706 PWs) bands (ev): -28.4620 -28.4620 -24.2462 -24.2462 -17.5728 -17.5727 -12.2074 -12.2064 -11.9966 -11.9957 -11.6552 -11.6547 -5.6899 -5.6895 -4.6361 -4.6356 -3.7869 -3.7804 -3.0120 -3.0047 2.0354 2.0356 3.0530 3.0620 3.6895 3.7019 5.0647 5.0701 7.9288 7.9300 8.3809 8.3835 8.8349 8.8411 k = 0.2540-0.2264 0.2543 ( 2712 PWs) bands (ev): -28.4581 -28.4581 -24.2387 -24.2387 -17.5879 -17.5878 -12.2214 -12.2203 -12.0109 -12.0100 -11.6518 -11.6513 -5.6671 -5.6666 -4.6786 -4.6781 -3.7662 -3.7595 -3.0348 -3.0273 2.1179 2.1181 3.0377 3.0468 3.6986 3.7110 5.1340 5.1393 7.8965 7.8975 8.3963 8.4000 8.8080 8.8151 k = 0.2619-0.2335 0.2543 ( 2714 PWs) bands (ev): -28.4542 -28.4542 -24.2313 -24.2312 -17.6029 -17.6028 -12.2353 -12.2342 -12.0250 -12.0241 -11.6483 -11.6478 -5.6444 -5.6440 -4.7202 -4.7197 -3.7465 -3.7396 -3.0570 -3.0493 2.2003 2.2005 3.0247 3.0339 3.7074 3.7198 5.1993 5.2045 7.8630 7.8640 8.3962 8.4008 8.7930 8.8006 k = 0.2698-0.2406 0.2543 ( 2714 PWs) bands (ev): -28.4503 -28.4503 -24.2238 -24.2238 -17.6177 -17.6177 -12.2491 -12.2481 -12.0390 -12.0381 -11.6448 -11.6443 -5.6220 -5.6216 -4.7609 -4.7604 -3.7279 -3.7208 -3.0786 -3.0708 2.2825 2.2826 3.0141 3.0234 3.7157 3.7281 5.2598 5.2647 7.8293 7.8304 8.3830 8.3883 8.7888 8.7965 k = 0.2778-0.2477 0.2543 ( 2714 PWs) bands (ev): -28.4464 -28.4464 -24.2164 -24.2164 -17.6324 -17.6324 -12.2629 -12.2619 -12.0528 -12.0518 -11.6412 -11.6407 -5.6000 -5.5996 -4.8005 -4.8000 -3.7105 -3.7033 -3.0994 -3.0915 2.3642 2.3643 3.0059 3.0154 3.7235 3.7359 5.3147 5.3194 7.7962 7.7975 8.3605 8.3662 8.7936 8.8010 k = 0.2857-0.2547 0.2543 ( 2712 PWs) bands (ev): -28.4426 -28.4426 -24.2090 -24.2090 -17.6469 -17.6468 -12.2766 -12.2756 -12.0663 -12.0654 -11.6376 -11.6371 -5.5783 -5.5779 -4.8390 -4.8386 -3.6945 -3.6870 -3.1194 -3.1113 2.4454 2.4455 3.0002 3.0099 3.7308 3.7432 5.3634 5.3678 7.7648 7.7664 8.3320 8.3379 8.8059 8.8129 k = 0.2937-0.2618 0.2543 ( 2714 PWs) bands (ev): -28.4388 -28.4388 -24.2017 -24.2017 -17.6612 -17.6611 -12.2901 -12.2891 -12.0796 -12.0787 -11.6340 -11.6336 -5.5571 -5.5567 -4.8764 -4.8759 -3.6798 -3.6722 -3.1384 -3.1303 2.5259 2.5259 2.9971 3.0069 3.7375 3.7500 5.4053 5.4093 7.7358 7.7378 8.2998 8.3058 8.8254 8.8318 k = 0.3016-0.2689 0.2543 ( 2718 PWs) bands (ev): -28.4351 -28.4350 -24.1945 -24.1945 -17.6752 -17.6751 -12.3034 -12.3025 -12.0926 -12.0917 -11.6304 -11.6300 -5.5365 -5.5361 -4.9126 -4.9121 -3.6665 -3.6589 -3.1563 -3.1481 2.6054 2.6055 2.9965 3.0065 3.7435 3.7561 5.4400 5.4436 7.7100 7.7123 8.2653 8.2713 8.8519 8.8577 k = 0.3095-0.2760 0.2543 ( 2712 PWs) bands (ev): -28.4314 -28.4313 -24.1874 -24.1874 -17.6888 -17.6888 -12.3165 -12.3155 -12.1053 -12.1044 -11.6269 -11.6264 -5.5164 -5.5161 -4.9474 -4.9469 -3.6548 -3.6472 -3.1730 -3.1649 2.6838 2.6838 2.9985 3.0087 3.7489 3.7615 5.4672 5.4705 7.6877 7.6903 8.2295 8.2355 8.8855 8.8907 k = 0.3175-0.2830 0.2543 ( 2718 PWs) bands (ev): -28.4277 -28.4277 -24.1804 -24.1804 -17.7022 -17.7021 -12.3293 -12.3284 -12.1176 -12.1168 -11.6233 -11.6230 -5.4971 -5.4968 -4.9809 -4.9804 -3.6447 -3.6371 -3.1884 -3.1805 2.7607 2.7608 3.0033 3.0137 3.7536 3.7662 5.4869 5.4898 7.6690 7.6719 8.1930 8.1991 8.9261 8.9304 k = 0.3254-0.2901 0.2543 ( 2718 PWs) bands (ev): -28.4242 -28.4242 -24.1736 -24.1736 -17.7152 -17.7151 -12.3418 -12.3409 -12.1297 -12.1289 -11.6199 -11.6195 -5.4786 -5.4783 -5.0130 -5.0125 -3.6362 -3.6287 -3.2026 -3.1948 2.8354 2.8356 3.0113 3.0219 3.7575 3.7702 5.4994 5.5019 7.6538 7.6569 8.1564 8.1624 8.9731 8.9761 k = 0.3333-0.2972 0.2543 ( 2724 PWs) bands (ev): -28.4208 -28.4208 -24.1669 -24.1669 -17.7278 -17.7278 -12.3539 -12.3531 -12.1413 -12.1406 -11.6165 -11.6161 -5.4610 -5.4607 -5.0435 -5.0430 -3.6292 -3.6218 -3.2154 -3.2078 2.9066 2.9070 3.0238 3.0343 3.7607 3.7735 5.5050 5.5071 7.6417 7.6449 8.1201 8.1262 9.0221 9.0233 k = 0.3413-0.3043 0.2543 ( 2718 PWs) bands (ev): -28.4174 -28.4174 -24.1604 -24.1604 -17.7400 -17.7400 -12.3657 -12.3649 -12.1525 -12.1518 -11.6132 -11.6128 -5.4444 -5.4441 -5.0723 -5.0718 -3.6237 -3.6166 -3.2268 -3.2195 2.9690 2.9708 3.0455 3.0549 3.7631 3.7759 5.5044 5.5062 7.6320 7.6352 8.0848 8.0910 9.0427 9.0473 k = 0.3492-0.3113 0.2543 ( 2720 PWs) bands (ev): -28.4142 -28.4142 -24.1541 -24.1541 -17.7518 -17.7517 -12.3771 -12.3763 -12.1634 -12.1627 -11.6099 -11.6096 -5.4290 -5.4287 -5.0994 -5.0989 -3.6196 -3.6129 -3.2369 -3.2300 3.0110 3.0166 3.0877 3.0936 3.7647 3.7776 5.4982 5.4996 7.6239 7.6272 8.0511 8.0572 9.0287 9.0315 k = 0.3571-0.3184 0.2543 ( 2720 PWs) bands (ev): -28.4110 -28.4110 -24.1481 -24.1480 -17.7631 -17.7631 -12.3880 -12.3873 -12.1738 -12.1731 -11.6068 -11.6065 -5.4150 -5.4147 -5.1245 -5.1240 -3.6169 -3.6105 -3.2457 -3.2392 3.0356 3.0439 3.1474 3.1506 3.7655 3.7784 5.4873 5.4884 7.6166 7.6197 8.0195 8.0257 9.0067 9.0086 k = 0.3651-0.3255 0.2543 ( 2718 PWs) bands (ev): -28.4080 -28.4080 -24.1422 -24.1422 -17.7740 -17.7739 -12.3985 -12.3978 -12.1837 -12.1831 -11.6038 -11.6035 -5.4025 -5.4022 -5.1475 -5.1469 -3.6154 -3.6094 -3.2534 -3.2473 3.0553 3.0647 3.2114 3.2137 3.7656 3.7785 5.4724 5.4733 7.6090 7.6120 7.9909 7.9971 8.9833 8.9847 k = 0.3730-0.3326 0.2543 ( 2716 PWs) bands (ev): -28.4051 -28.4051 -24.1366 -24.1366 -17.7843 -17.7842 -12.4085 -12.4079 -12.1931 -12.1925 -11.6009 -11.6006 -5.3920 -5.3916 -5.1680 -5.1674 -3.6149 -3.6094 -3.2600 -3.2544 3.0744 3.0844 3.2750 3.2769 3.7650 3.7779 5.4545 5.4552 7.6002 7.6029 7.9659 7.9721 8.9598 8.9610 k = 0.3810-0.3396 0.2543 ( 2714 PWs) bands (ev): -28.4024 -28.4024 -24.1313 -24.1313 -17.7941 -17.7940 -12.4180 -12.4174 -12.2021 -12.2015 -11.5981 -11.5978 -5.3836 -5.3832 -5.1858 -5.1852 -3.6152 -3.6102 -3.2657 -3.2606 3.0939 3.1043 3.3367 3.3384 3.7638 3.7767 5.4342 5.4347 7.5893 7.5918 7.9452 7.9513 8.9369 8.9379 k = 0.3889-0.3467 0.2543 ( 2722 PWs) bands (ev): -28.3998 -28.3998 -24.1262 -24.1262 -17.8033 -17.8033 -12.4271 -12.4265 -12.2106 -12.2101 -11.5955 -11.5952 -5.3778 -5.3774 -5.2004 -5.1997 -3.6163 -3.6117 -3.2706 -3.2660 3.1142 3.1248 3.3956 3.3973 3.7622 3.7750 5.4124 5.4128 7.5760 7.5782 7.9290 7.9349 8.9148 8.9157 k = 0.3968-0.3538 0.2543 ( 2726 PWs) bands (ev): -28.3973 -28.3973 -24.1214 -24.1214 -17.8121 -17.8120 -12.4355 -12.4350 -12.2186 -12.2181 -11.5930 -11.5927 -5.3749 -5.3745 -5.2115 -5.2109 -3.6178 -3.6137 -3.2747 -3.2706 3.1352 3.1459 3.4511 3.4529 3.7606 3.7732 5.3896 5.3899 7.5600 7.5619 7.9175 7.9231 8.8938 8.8946 k = 0.4048-0.3609 0.2543 ( 2726 PWs) bands (ev): -28.3950 -28.3950 -24.1169 -24.1169 -17.8202 -17.8201 -12.4434 -12.4429 -12.2260 -12.2255 -11.5906 -11.5904 -5.3750 -5.3746 -5.2191 -5.2185 -3.6198 -3.6161 -3.2783 -3.2747 3.1567 3.1675 3.5023 3.5043 3.7594 3.7717 5.3666 5.3668 7.5416 7.5433 7.9101 7.9154 8.8740 8.8747 k = 0.4127-0.3679 0.2543 ( 2726 PWs) bands (ev): -28.3929 -28.3929 -24.1128 -24.1128 -17.8277 -17.8277 -12.4508 -12.4503 -12.2329 -12.2324 -11.5884 -11.5882 -5.3777 -5.3774 -5.2234 -5.2229 -3.6219 -3.6187 -3.2814 -3.2783 3.1787 3.1894 3.5482 3.5505 3.7596 3.7714 5.3437 5.3440 7.5215 7.5228 7.9064 7.9112 8.8555 8.8561 k = 0.4206-0.3750 0.2543 ( 2724 PWs) bands (ev): -28.3909 -28.3909 -24.1089 -24.1089 -17.8346 -17.8346 -12.4575 -12.4571 -12.2392 -12.2388 -11.5864 -11.5862 -5.3826 -5.3823 -5.2250 -5.2245 -3.6241 -3.6213 -3.2841 -3.2814 3.2008 3.2114 3.5871 3.5899 3.7626 3.7734 5.3216 5.3218 7.5004 7.5014 7.9055 7.9099 8.8383 8.8389 k = 0.4286-0.3821 0.2543 ( 2730 PWs) bands (ev): -28.3892 -28.3891 -24.1054 -24.1054 -17.8409 -17.8409 -12.4636 -12.4632 -12.2449 -12.2446 -11.5846 -11.5844 -5.3888 -5.3886 -5.2247 -5.2242 -3.6263 -3.6239 -3.2865 -3.2841 3.2228 3.2332 3.6168 3.6206 3.7705 3.7797 5.3005 5.3007 7.4789 7.4797 7.9068 7.9107 8.8227 8.8232 k = 0.4365-0.3892 0.2543 ( 2720 PWs) bands (ev): -28.3875 -28.3875 -24.1022 -24.1022 -17.8466 -17.8465 -12.4691 -12.4688 -12.2501 -12.2497 -11.5829 -11.5828 -5.3958 -5.3955 -5.2231 -5.2227 -3.6285 -3.6264 -3.2886 -3.2866 3.2445 3.2546 3.6359 3.6409 3.7847 3.7918 5.2808 5.2811 7.4579 7.4585 7.9095 7.9130 8.8086 8.8090 k = 0.4444-0.3962 0.2543 ( 2720 PWs) bands (ev): -28.3861 -28.3861 -24.0994 -24.0994 -17.8516 -17.8516 -12.4740 -12.4737 -12.2546 -12.2544 -11.5814 -11.5813 -5.4028 -5.4026 -5.2208 -5.2204 -3.6304 -3.6287 -3.2904 -3.2887 3.2655 3.2752 3.6451 3.6513 3.8041 3.8093 5.2629 5.2631 7.4380 7.4385 7.9131 7.9161 8.7960 8.7964 k = 0.4524-0.4033 0.2543 ( 2720 PWs) bands (ev): -28.3848 -28.3848 -24.0970 -24.0970 -17.8560 -17.8559 -12.4783 -12.4780 -12.2586 -12.2584 -11.5801 -11.5800 -5.4095 -5.4093 -5.2182 -5.2179 -3.6322 -3.6308 -3.2919 -3.2905 3.2854 3.2945 3.6475 3.6543 3.8259 3.8295 5.2469 5.2471 7.4196 7.4200 7.9171 7.9196 8.7851 8.7854 k = 0.4603-0.4104 0.2543 ( 2724 PWs) bands (ev): -28.3838 -28.3838 -24.0949 -24.0949 -17.8597 -17.8597 -12.4819 -12.4817 -12.2620 -12.2618 -11.5790 -11.5789 -5.4155 -5.4154 -5.2157 -5.2155 -3.6337 -3.6326 -3.2932 -3.2921 3.3039 3.3121 3.6458 3.6526 3.8473 3.8499 5.2330 5.2332 7.4034 7.4037 7.9210 7.9232 8.7757 8.7760 k = 0.4683-0.4175 0.2543 ( 2728 PWs) bands (ev): -28.3829 -28.3829 -24.0932 -24.0932 -17.8627 -17.8627 -12.4849 -12.4847 -12.2648 -12.2646 -11.5781 -11.5780 -5.4206 -5.4205 -5.2135 -5.2133 -3.6350 -3.6341 -3.2943 -3.2934 3.3204 3.3275 3.6424 3.6486 3.8664 3.8682 5.2215 5.2216 7.3896 7.3898 7.9247 7.9264 8.7681 8.7683 k = 0.4762-0.4245 0.2543 ( 2734 PWs) bands (ev): -28.3822 -28.3822 -24.0918 -24.0918 -17.8651 -17.8651 -12.4872 -12.4870 -12.2669 -12.2668 -11.5774 -11.5774 -5.4248 -5.4247 -5.2116 -5.2114 -3.6360 -3.6353 -3.2951 -3.2944 3.3344 3.3401 3.6385 3.6437 3.8821 3.8833 5.2124 5.2125 7.3785 7.3787 7.9279 7.9291 8.7621 8.7623 k = 0.4841-0.4316 0.2543 ( 2732 PWs) bands (ev): -28.3817 -28.3817 -24.0909 -24.0909 -17.8668 -17.8668 -12.4888 -12.4887 -12.2685 -12.2684 -11.5769 -11.5769 -5.4278 -5.4277 -5.2102 -5.2101 -3.6366 -3.6362 -3.2956 -3.2952 3.3453 3.3494 3.6353 3.6390 3.8938 3.8945 5.2058 5.2059 7.3705 7.3706 7.9303 7.9312 8.7578 8.7579 k = 0.4921-0.4387 0.2543 ( 2726 PWs) bands (ev): -28.3814 -28.3814 -24.0903 -24.0903 -17.8678 -17.8678 -12.4898 -12.4897 -12.2694 -12.2693 -11.5766 -11.5766 -5.4296 -5.4296 -5.2093 -5.2092 -3.6370 -3.6368 -3.2959 -3.2957 3.3526 3.3547 3.6335 3.6354 3.9009 3.9013 5.2019 5.2019 7.3656 7.3657 7.9319 7.9323 8.7553 8.7553 k = 0.5000-0.4458 0.2543 ( 2720 PWs) bands (ev): -28.3813 -28.3813 -24.0901 -24.0901 -17.8681 -17.8681 -12.4901 -12.4901 -12.2696 -12.2696 -11.5765 -11.5765 -5.4302 -5.4302 -5.2090 -5.2090 -3.6370 -3.6370 -3.2959 -3.2959 3.3558 3.3558 3.6335 3.6335 3.9035 3.9035 5.2006 5.2006 7.3640 7.3640 7.9326 7.9326 8.7545 8.7545 k = 0.5000-0.4458 0.2543 ( 2720 PWs) bands (ev): -28.3813 -28.3813 -24.0901 -24.0901 -17.8681 -17.8681 -12.4901 -12.4901 -12.2696 -12.2696 -11.5765 -11.5765 -5.4302 -5.4302 -5.2090 -5.2090 -3.6370 -3.6370 -3.2959 -3.2959 3.3558 3.3558 3.6335 3.6335 3.9035 3.9035 5.2006 5.2006 7.3640 7.3640 7.9326 7.9326 8.7545 8.7545 k = 0.5059-0.4392 0.2543 ( 2725 PWs) bands (ev): -28.3814 -28.3814 -24.0902 -24.0902 -17.8680 -17.8679 -12.4899 -12.4899 -12.2695 -12.2695 -11.5765 -11.5765 -5.4328 -5.4312 -5.2084 -5.2065 -3.6369 -3.6368 -3.2957 -3.2954 3.3541 3.3555 3.6333 3.6334 3.9029 3.9042 5.2017 5.2018 7.3642 7.3644 7.9333 7.9333 8.7527 8.7529 k = 0.5118-0.4326 0.2543 ( 2725 PWs) bands (ev): -28.3815 -28.3815 -24.0905 -24.0905 -17.8674 -17.8674 -12.4893 -12.4893 -12.2692 -12.2692 -11.5767 -11.5767 -5.4388 -5.4358 -5.2048 -5.2013 -3.6362 -3.6360 -3.2946 -3.2940 3.3503 3.3530 3.6329 3.6330 3.9026 3.9052 5.2052 5.2053 7.3649 7.3653 7.9354 7.9354 8.7477 8.7480 k = 0.5177-0.4260 0.2543 ( 2727 PWs) bands (ev): -28.3818 -28.3818 -24.0910 -24.0910 -17.8664 -17.8664 -12.4884 -12.4884 -12.2686 -12.2686 -11.5770 -11.5769 -5.4477 -5.4436 -5.1986 -5.1936 -3.6351 -3.6348 -3.2926 -3.2918 3.3444 3.3485 3.6323 3.6324 3.9025 3.9063 5.2110 5.2111 7.3661 7.3668 7.9388 7.9389 8.7395 8.7399 k = 0.5236-0.4193 0.2543 ( 2723 PWs) bands (ev): -28.3821 -28.3821 -24.0917 -24.0917 -17.8650 -17.8650 -12.4872 -12.4872 -12.2678 -12.2678 -11.5773 -11.5773 -5.4591 -5.4540 -5.1904 -5.1842 -3.6335 -3.6331 -3.2899 -3.2887 3.3366 3.3419 3.6314 3.6316 3.9026 3.9076 5.2190 5.2191 7.3679 7.3688 7.9437 7.9438 8.7283 8.7288 k = 0.5295-0.4127 0.2543 ( 2724 PWs) bands (ev): -28.3826 -28.3826 -24.0927 -24.0927 -17.8633 -17.8632 -12.4855 -12.4855 -12.2667 -12.2667 -11.5778 -11.5778 -5.4723 -5.4666 -5.1805 -5.1734 -3.6315 -3.6309 -3.2863 -3.2849 3.3267 3.3332 3.6302 3.6305 3.9028 3.9089 5.2293 5.2295 7.3702 7.3713 7.9499 7.9501 8.7141 8.7148 k = 0.5731-0.3638 0.1241 ( 2715 PWs) bands (ev): -28.3891 -28.3890 -24.1055 -24.1055 -17.8384 -17.8383 -12.4624 -12.4624 -12.2511 -12.2511 -11.5877 -11.5877 -5.5912 -5.5841 -5.0826 -5.0723 -3.6041 -3.6028 -3.2352 -3.2319 3.1870 3.1998 3.5433 3.5440 3.9029 3.9145 5.3349 5.3351 7.3684 7.3702 8.1642 8.1648 8.6879 8.6884 k = 0.5719-0.3651 0.1135 ( 2717 PWs) bands (ev): -28.3888 -28.3888 -24.1050 -24.1050 -17.8393 -17.8393 -12.4632 -12.4632 -12.2518 -12.2518 -11.5881 -11.5881 -5.5864 -5.5793 -5.0830 -5.0728 -3.6056 -3.6042 -3.2366 -3.2334 3.1904 3.2030 3.5317 3.5325 3.9022 3.9137 5.3277 5.3278 7.3477 7.3494 8.1791 8.1797 8.7290 8.7295 k = 0.5707-0.3665 0.1030 ( 2717 PWs) bands (ev): -28.3886 -28.3886 -24.1045 -24.1044 -17.8403 -17.8402 -12.4641 -12.4641 -12.2524 -12.2524 -11.5885 -11.5885 -5.5815 -5.5745 -5.0835 -5.0733 -3.6070 -3.6057 -3.2380 -3.2348 3.1937 3.2062 3.5201 3.5209 3.9017 3.9130 5.3208 5.3209 7.3268 7.3285 8.1942 8.1948 8.7706 8.7710 k = 0.5695-0.3679 0.0925 ( 2723 PWs) bands (ev): -28.3883 -28.3883 -24.1040 -24.1039 -17.8413 -17.8412 -12.4649 -12.4649 -12.2530 -12.2530 -11.5889 -11.5889 -5.5767 -5.5697 -5.0839 -5.0738 -3.6085 -3.6071 -3.2394 -3.2362 3.1970 3.2092 3.5086 3.5094 3.9011 3.9123 5.3143 5.3144 7.3062 7.3078 8.2090 8.2096 8.8119 8.8123 k = 0.5683-0.3692 0.0820 ( 2724 PWs) bands (ev): -28.3881 -28.3881 -24.1034 -24.1034 -17.8422 -17.8421 -12.4657 -12.4657 -12.2536 -12.2536 -11.5893 -11.5893 -5.5720 -5.5650 -5.0844 -5.0744 -3.6098 -3.6085 -3.2408 -3.2376 3.2002 3.2123 3.4975 3.4983 3.9006 3.9117 5.3082 5.3082 7.2860 7.2876 8.2234 8.2240 8.8524 8.8527 k = 0.5670-0.3706 0.0715 ( 2724 PWs) bands (ev): -28.3879 -28.3879 -24.1029 -24.1029 -17.8431 -17.8430 -12.4665 -12.4665 -12.2542 -12.2542 -11.5897 -11.5897 -5.5673 -5.5603 -5.0850 -5.0751 -3.6112 -3.6099 -3.2421 -3.2390 3.2034 3.2153 3.4869 3.4878 3.9002 3.9111 5.3024 5.3025 7.2666 7.2682 8.2370 8.2376 8.8916 8.8919 k = 0.5658-0.3719 0.0610 ( 2728 PWs) bands (ev): -28.3877 -28.3877 -24.1025 -24.1024 -17.8440 -17.8439 -12.4673 -12.4673 -12.2548 -12.2548 -11.5900 -11.5900 -5.5626 -5.5558 -5.0857 -5.0759 -3.6125 -3.6112 -3.2434 -3.2404 3.2066 3.2183 3.4771 3.4780 3.8999 3.9106 5.2971 5.2971 7.2482 7.2498 8.2493 8.2499 8.9288 8.9291 k = 0.5646-0.3733 0.0505 ( 2722 PWs) bands (ev): -28.3874 -28.3874 -24.1020 -24.1020 -17.8449 -17.8448 -12.4681 -12.4681 -12.2554 -12.2554 -11.5903 -11.5903 -5.5581 -5.5513 -5.0866 -5.0768 -3.6137 -3.6125 -3.2447 -3.2417 3.2098 3.2214 3.4682 3.4691 3.8996 3.9102 5.2921 5.2922 7.2310 7.2326 8.2602 8.2608 8.9637 8.9640 k = 0.5634-0.3747 0.0400 ( 2723 PWs) bands (ev): -28.3872 -28.3872 -24.1015 -24.1015 -17.8458 -17.8457 -12.4689 -12.4689 -12.2559 -12.2559 -11.5905 -11.5905 -5.5537 -5.5469 -5.0876 -5.0779 -3.6149 -3.6137 -3.2460 -3.2431 3.2131 3.2246 3.4604 3.4613 3.8993 3.9098 5.2876 5.2877 7.2151 7.2167 8.2692 8.2698 8.9958 8.9960 k = 0.5622-0.3760 0.0295 ( 2724 PWs) bands (ev): -28.3870 -28.3870 -24.1011 -24.1010 -17.8466 -17.8465 -12.4696 -12.4696 -12.2565 -12.2565 -11.5907 -11.5907 -5.5494 -5.5426 -5.0888 -5.0792 -3.6161 -3.6149 -3.2474 -3.2445 3.2165 3.2278 3.4538 3.4547 3.8991 3.9095 5.2834 5.2835 7.2008 7.2024 8.2761 8.2767 9.0245 9.0247 k = 0.5610-0.3774 0.0190 ( 2722 PWs) bands (ev): -28.3868 -28.3868 -24.1006 -24.1006 -17.8474 -17.8474 -12.4704 -12.4704 -12.2570 -12.2570 -11.5908 -11.5908 -5.5452 -5.5385 -5.0903 -5.0808 -3.6172 -3.6160 -3.2487 -3.2458 3.2199 3.2311 3.4486 3.4495 3.8990 3.9092 5.2797 5.2798 7.1881 7.1897 8.2807 8.2813 9.0497 9.0499 k = 0.5598-0.3787 0.0084 ( 2720 PWs) bands (ev): -28.3866 -28.3866 -24.1002 -24.1002 -17.8483 -17.8482 -12.4711 -12.4711 -12.2575 -12.2575 -11.5909 -11.5909 -5.5412 -5.5345 -5.0920 -5.0825 -3.6182 -3.6171 -3.2501 -3.2473 3.2235 3.2345 3.4448 3.4457 3.8990 3.9090 5.2763 5.2763 7.1772 7.1788 8.2828 8.2834 9.0708 9.0710 k = 0.5586-0.3801-0.0021 ( 2722 PWs) bands (ev): -28.3864 -28.3864 -24.0998 -24.0997 -17.8491 -17.8490 -12.4718 -12.4718 -12.2580 -12.2580 -11.5909 -11.5908 -5.5373 -5.5306 -5.0940 -5.0846 -3.6192 -3.6181 -3.2515 -3.2487 3.2272 3.2380 3.4425 3.4434 3.8990 3.9089 5.2732 5.2733 7.1680 7.1696 8.2822 8.2828 9.0877 9.0880 k = 0.5573-0.3815-0.0126 ( 2723 PWs) bands (ev): -28.3862 -28.3862 -24.0993 -24.0993 -17.8498 -17.8498 -12.4726 -12.4726 -12.2585 -12.2585 -11.5908 -11.5907 -5.5335 -5.5269 -5.0962 -5.0869 -3.6202 -3.6191 -3.2529 -3.2502 3.2310 3.2417 3.4419 3.4427 3.8990 3.9088 5.2704 5.2705 7.1608 7.1624 8.2790 8.2795 9.1002 9.1005 k = 0.5561-0.3828-0.0231 ( 2724 PWs) bands (ev): -28.3860 -28.3860 -24.0989 -24.0989 -17.8506 -17.8505 -12.4733 -12.4733 -12.2590 -12.2590 -11.5906 -11.5905 -5.5299 -5.5233 -5.0987 -5.0895 -3.6210 -3.6200 -3.2544 -3.2517 3.2350 3.2455 3.4427 3.4436 3.8991 3.9088 5.2680 5.2680 7.1555 7.1571 8.2730 8.2735 9.1082 9.1085 k = 0.5549-0.3842-0.0336 ( 2724 PWs) bands (ev): -28.3858 -28.3858 -24.0986 -24.0985 -17.8514 -17.8513 -12.4740 -12.4740 -12.2594 -12.2594 -11.5903 -11.5902 -5.5265 -5.5199 -5.1015 -5.0923 -3.6218 -3.6208 -3.2559 -3.2533 3.2391 3.2494 3.4452 3.4461 3.8993 3.9088 5.2657 5.2657 7.1522 7.1538 8.2645 8.2649 9.1117 9.1120 k = 0.5537-0.3855-0.0441 ( 2722 PWs) bands (ev): -28.3856 -28.3856 -24.0982 -24.0982 -17.8521 -17.8520 -12.4747 -12.4747 -12.2599 -12.2599 -11.5899 -11.5899 -5.5232 -5.5167 -5.1045 -5.0954 -3.6226 -3.6216 -3.2574 -3.2548 3.2433 3.2535 3.4492 3.4501 3.8995 3.9088 5.2637 5.2637 7.1508 7.1525 8.2535 8.2539 9.1106 9.1110 k = 0.5525-0.3869-0.0546 ( 2722 PWs) bands (ev): -28.3854 -28.3854 -24.0978 -24.0978 -17.8528 -17.8527 -12.4753 -12.4753 -12.2603 -12.2603 -11.5895 -11.5894 -5.5201 -5.5135 -5.1078 -5.0988 -3.6233 -3.6223 -3.2590 -3.2564 3.2476 3.2577 3.4547 3.4555 3.8997 3.9089 5.2618 5.2619 7.1515 7.1532 8.2402 8.2406 9.1052 9.1056 k = 0.5513-0.3883-0.0651 ( 2718 PWs) bands (ev): -28.3852 -28.3852 -24.0975 -24.0974 -17.8535 -17.8534 -12.4760 -12.4760 -12.2608 -12.2608 -11.5890 -11.5889 -5.5171 -5.5106 -5.1114 -5.1024 -3.6239 -3.6230 -3.2606 -3.2581 3.2521 3.2620 3.4616 3.4624 3.8999 3.9091 5.2601 5.2602 7.1542 7.1559 8.2250 8.2253 9.0957 9.0961 k = 0.5513-0.3883-0.0651 ( 2718 PWs) bands (ev): -28.3852 -28.3852 -24.0975 -24.0974 -17.8535 -17.8534 -12.4760 -12.4760 -12.2608 -12.2608 -11.5890 -11.5889 -5.5171 -5.5106 -5.1114 -5.1024 -3.6239 -3.6230 -3.2606 -3.2581 3.2521 3.2620 3.4616 3.4624 3.8999 3.9091 5.2601 5.2602 7.1542 7.1559 8.2250 8.2253 9.0957 9.0961 k = 0.5462-0.3940-0.0586 ( 2718 PWs) bands (ev): -28.3845 -28.3845 -24.0960 -24.0960 -17.8563 -17.8562 -12.4785 -12.4785 -12.2625 -12.2625 -11.5884 -11.5883 -5.5021 -5.4957 -5.1214 -5.1128 -3.6273 -3.6265 -3.2659 -3.2636 3.2655 3.2746 3.4594 3.4602 3.8998 3.9082 5.2429 5.2429 7.1579 7.1595 8.2250 8.2254 9.1148 9.1152 k = 0.5410-0.3998-0.0521 ( 2722 PWs) bands (ev): -28.3839 -28.3839 -24.0947 -24.0947 -17.8588 -17.8588 -12.4809 -12.4808 -12.2641 -12.2641 -11.5879 -11.5878 -5.4877 -5.4815 -5.1314 -5.1232 -3.6304 -3.6296 -3.2707 -3.2687 3.2775 3.2858 3.4574 3.4581 3.8997 3.9073 5.2274 5.2274 7.1616 7.1630 8.2253 8.2256 9.1318 9.1322 k = 0.5359-0.4055-0.0456 ( 2724 PWs) bands (ev): -28.3833 -28.3833 -24.0935 -24.0935 -17.8610 -17.8610 -12.4829 -12.4829 -12.2654 -12.2654 -11.5874 -11.5873 -5.4739 -5.4681 -5.1410 -5.1334 -3.6331 -3.6324 -3.2750 -3.2732 3.2883 3.2956 3.4556 3.4562 3.8996 3.9064 5.2136 5.2136 7.1652 7.1665 8.2258 8.2261 9.1469 9.1473 k = 0.5308-0.4113-0.0391 ( 2721 PWs) bands (ev): -28.3828 -28.3828 -24.0925 -24.0925 -17.8630 -17.8629 -12.4846 -12.4846 -12.2666 -12.2666 -11.5870 -11.5869 -5.4610 -5.4556 -5.1501 -5.1432 -3.6355 -3.6349 -3.2787 -3.2772 3.2977 3.3040 3.4540 3.4545 3.8997 3.9056 5.2016 5.2016 7.1686 7.1697 8.2264 8.2267 9.1600 9.1603 k = 0.5256-0.4170-0.0326 ( 2723 PWs) bands (ev): -28.3824 -28.3824 -24.0917 -24.0916 -17.8646 -17.8646 -12.4862 -12.4862 -12.2676 -12.2676 -11.5866 -11.5866 -5.4492 -5.4443 -5.1585 -5.1524 -3.6374 -3.6369 -3.2819 -3.2806 3.3057 3.3111 3.4526 3.4531 3.8998 3.9048 5.1914 5.1914 7.1717 7.1726 8.2271 8.2273 9.1710 9.1713 k = 0.5205-0.4228-0.0261 ( 2722 PWs) bands (ev): -28.3820 -28.3820 -24.0909 -24.0909 -17.8659 -17.8659 -12.4874 -12.4874 -12.2684 -12.2684 -11.5863 -11.5863 -5.4387 -5.4345 -5.1659 -5.1607 -3.6390 -3.6386 -3.2845 -3.2834 3.3124 3.3168 3.4515 3.4518 3.9000 3.9040 5.1830 5.1830 7.1743 7.1750 8.2277 8.2278 9.1800 9.1802 k = 0.5154-0.4285-0.0195 ( 2724 PWs) bands (ev): -28.3817 -28.3817 -24.0904 -24.0904 -17.8670 -17.8670 -12.4883 -12.4883 -12.2690 -12.2690 -11.5861 -11.5861 -5.4299 -5.4265 -5.1720 -5.1678 -3.6403 -3.6400 -3.2864 -3.2857 3.3178 3.3211 3.4506 3.4508 3.9002 3.9033 5.1765 5.1765 7.1764 7.1770 8.2282 8.2283 9.1870 9.1872 k = 0.5103-0.4343-0.0130 ( 2731 PWs) bands (ev): -28.3816 -28.3816 -24.0900 -24.0900 -17.8677 -17.8677 -12.4890 -12.4890 -12.2695 -12.2695 -11.5859 -11.5859 -5.4231 -5.4208 -5.1764 -5.1735 -3.6412 -3.6410 -3.2878 -3.2873 3.3217 3.3239 3.4500 3.4501 3.9006 3.9026 5.1718 5.1718 7.1780 7.1784 8.2286 8.2287 9.1920 9.1921 k = 0.5051-0.4400-0.0065 ( 2740 PWs) bands (ev): -28.3815 -28.3815 -24.0898 -24.0898 -17.8682 -17.8682 -12.4895 -12.4895 -12.2698 -12.2698 -11.5859 -11.5859 -5.4186 -5.4174 -5.1788 -5.1774 -3.6417 -3.6416 -3.2886 -3.2883 3.3243 3.3254 3.4496 3.4497 3.9010 3.9020 5.1690 5.1690 7.1790 7.1792 8.2289 8.2289 9.1950 9.1951 k = 0.5000-0.4458 0.0000 ( 2742 PWs) bands (ev): -28.3814 -28.3814 -24.0897 -24.0897 -17.8683 -17.8683 -12.4896 -12.4896 -12.2699 -12.2699 -11.5858 -11.5858 -5.4167 -5.4167 -5.1792 -5.1792 -3.6418 -3.6418 -3.2888 -3.2888 3.3256 3.3256 3.4495 3.4495 3.9014 3.9014 5.1680 5.1680 7.1794 7.1794 8.2290 8.2290 9.1960 9.1960 k = 0.5000-0.4458 0.0000 ( 2742 PWs) bands (ev): -28.3814 -28.3814 -24.0897 -24.0897 -17.8683 -17.8683 -12.4896 -12.4896 -12.2699 -12.2699 -11.5858 -11.5858 -5.4167 -5.4167 -5.1792 -5.1792 -3.6418 -3.6418 -3.2888 -3.2888 3.3256 3.3256 3.4495 3.4495 3.9014 3.9014 5.1680 5.1680 7.1794 7.1794 8.2290 8.2290 9.1960 9.1960 k = 0.4921-0.4387 0.0000 ( 2738 PWs) bands (ev): -28.3815 -28.3815 -24.0899 -24.0899 -17.8680 -17.8680 -12.4893 -12.4893 -12.2696 -12.2695 -11.5859 -11.5859 -5.4160 -5.4160 -5.1795 -5.1795 -3.6417 -3.6415 -3.2887 -3.2886 3.3196 3.3239 3.4500 3.4543 3.8988 3.8990 5.1694 5.1695 7.1812 7.1814 8.2276 8.2280 9.1967 9.1968 k = 0.4841-0.4316 0.0000 ( 2730 PWs) bands (ev): -28.3818 -28.3818 -24.0905 -24.0905 -17.8669 -17.8669 -12.4883 -12.4882 -12.2686 -12.2686 -11.5862 -11.5862 -5.4140 -5.4140 -5.1806 -5.1805 -3.6413 -3.6409 -3.2885 -3.2881 3.3074 3.3150 3.4555 3.4631 3.8912 3.8917 5.1737 5.1738 7.1868 7.1872 8.2238 8.2247 9.1987 9.1989 k = 0.4762-0.4245 0.0000 ( 2726 PWs) bands (ev): -28.3823 -28.3823 -24.0914 -24.0914 -17.8652 -17.8652 -12.4867 -12.4865 -12.2671 -12.2670 -11.5868 -11.5867 -5.4106 -5.4106 -5.1823 -5.1821 -3.6405 -3.6400 -3.2879 -3.2874 3.2910 3.3006 3.4642 3.4738 3.8787 3.8794 5.1808 5.1809 7.1960 7.1966 8.2176 8.2190 9.2021 9.2024 k = 0.4683-0.4175 0.0000 ( 2716 PWs) bands (ev): -28.3830 -28.3830 -24.0928 -24.0928 -17.8629 -17.8628 -12.4843 -12.4842 -12.2649 -12.2648 -11.5875 -11.5874 -5.4060 -5.4059 -5.1846 -5.1844 -3.6395 -3.6387 -3.2872 -3.2864 3.2717 3.2825 3.4743 3.4850 3.8616 3.8625 5.1906 5.1908 7.2089 7.2096 8.2092 8.2111 9.2069 9.2072 k = 0.4603-0.4104 0.0000 ( 2718 PWs) bands (ev): -28.3838 -28.3838 -24.0945 -24.0945 -17.8598 -17.8598 -12.4814 -12.4812 -12.2621 -12.2620 -11.5884 -11.5883 -5.4002 -5.4001 -5.1874 -5.1872 -3.6381 -3.6371 -3.2862 -3.2852 3.2505 3.2620 3.4842 3.4956 3.8400 3.8413 5.2031 5.2033 7.2251 7.2261 8.1987 8.2010 9.2128 9.2133 k = 0.4524-0.4033 0.0000 ( 2720 PWs) bands (ev): -28.3849 -28.3849 -24.0966 -24.0966 -17.8561 -17.8561 -12.4778 -12.4775 -12.2588 -12.2585 -11.5896 -11.5895 -5.3932 -5.3931 -5.1908 -5.1905 -3.6364 -3.6351 -3.2850 -3.2837 3.2281 3.2399 3.4932 3.5047 3.8145 3.8162 5.2181 5.2184 7.2447 7.2458 8.1863 8.1890 9.2200 9.2205 k = 0.4444-0.3962 0.0000 ( 2718 PWs) bands (ev): -28.3862 -28.3862 -24.0990 -24.0990 -17.8517 -17.8517 -12.4735 -12.4732 -12.2548 -12.2545 -11.5909 -11.5908 -5.3852 -5.3851 -5.1945 -5.1941 -3.6344 -3.6329 -3.2836 -3.2820 3.2049 3.2169 3.5002 3.5117 3.7857 3.7880 5.2354 5.2358 7.2674 7.2686 8.1721 8.1752 9.2282 9.2289 k = 0.4365-0.3892 0.0000 ( 2716 PWs) bands (ev): -28.3876 -28.3876 -24.1018 -24.1018 -17.8467 -17.8467 -12.4686 -12.4683 -12.2502 -12.2499 -11.5925 -11.5923 -5.3765 -5.3764 -5.1983 -5.1979 -3.6322 -3.6304 -3.2819 -3.2801 3.1811 3.1933 3.5043 3.5153 3.7545 3.7576 5.2549 5.2554 7.2929 7.2943 8.1564 8.1599 9.2373 9.2382 k = 0.4286-0.3821 0.0000 ( 2722 PWs) bands (ev): -28.3892 -28.3892 -24.1050 -24.1050 -17.8411 -17.8410 -12.4631 -12.4628 -12.2450 -12.2447 -11.5942 -11.5940 -5.3674 -5.3672 -5.2019 -5.2015 -3.6298 -3.6277 -3.2801 -3.2779 3.1572 3.1693 3.5041 3.5142 3.7224 3.7266 5.2764 5.2769 7.3210 7.3226 8.1394 8.1434 9.2472 9.2483 k = 0.4206-0.3750 0.0000 ( 2724 PWs) bands (ev): -28.3910 -28.3910 -24.1085 -24.1085 -17.8348 -17.8347 -12.4570 -12.4566 -12.2393 -12.2389 -11.5961 -11.5959 -5.3584 -5.3581 -5.2049 -5.2044 -3.6273 -3.6248 -3.2779 -3.2753 3.1333 3.1454 3.4974 3.5060 3.6917 3.6976 5.2995 5.3002 7.3515 7.3532 8.1215 8.1258 9.2575 9.2589 k = 0.4127-0.3679 0.0000 ( 2722 PWs) bands (ev): -28.3930 -28.3930 -24.1124 -24.1123 -17.8278 -17.8278 -12.4503 -12.4498 -12.2329 -12.2326 -11.5982 -11.5980 -5.3501 -5.3497 -5.2065 -5.2059 -3.6247 -3.6219 -3.2755 -3.2725 3.1096 3.1216 3.4814 3.4882 3.6654 3.6733 5.3241 5.3249 7.3840 7.3859 8.1031 8.1078 9.2677 9.2696 k = 0.4048-0.3609 0.0000 ( 2716 PWs) bands (ev): -28.3951 -28.3951 -24.1165 -24.1165 -17.8203 -17.8202 -12.4429 -12.4425 -12.2261 -12.2256 -11.6005 -11.6003 -5.3435 -5.3431 -5.2058 -5.2051 -3.6222 -3.6190 -3.2726 -3.2692 3.0863 3.0982 3.4541 3.4590 3.6456 3.6556 5.3498 5.3507 7.4183 7.4203 8.0845 8.0895 9.2773 9.2798 k = 0.3968-0.3538 0.0000 ( 2716 PWs) bands (ev): -28.3974 -28.3974 -24.1210 -24.1210 -17.8122 -17.8121 -12.4351 -12.4345 -12.2186 -12.2182 -11.6029 -11.6027 -5.3397 -5.3393 -5.2017 -5.2010 -3.6199 -3.6162 -3.2694 -3.2655 3.0637 3.0755 3.4157 3.4191 3.6324 3.6440 5.3761 5.3772 7.4539 7.4561 8.0664 8.0716 9.2850 9.2884 k = 0.3889-0.3467 0.0000 ( 2720 PWs) bands (ev): -28.3999 -28.3999 -24.1258 -24.1258 -17.8035 -17.8034 -12.4266 -12.4261 -12.2107 -12.2102 -11.6055 -11.6052 -5.3394 -5.3389 -5.1935 -5.1929 -3.6179 -3.6138 -3.2655 -3.2612 3.0419 3.0535 3.3682 3.3708 3.6239 3.6364 5.4027 5.4039 7.4904 7.4927 8.0492 8.0545 9.2888 9.2935 k = 0.3810-0.3396 0.0000 ( 2722 PWs) bands (ev): -28.4025 -28.4025 -24.1309 -24.1308 -17.7942 -17.7942 -12.4177 -12.4171 -12.2022 -12.2017 -11.6082 -11.6080 -5.3427 -5.3423 -5.1811 -5.1804 -3.6164 -3.6118 -3.2611 -3.2563 3.0211 3.0325 3.3141 3.3161 3.6179 3.6310 5.4290 5.4305 7.5273 7.5298 8.0337 8.0391 9.2848 9.2911 k = 0.3730-0.3326 0.0000 ( 2720 PWs) bands (ev): -28.4052 -28.4052 -24.1362 -24.1362 -17.7844 -17.7844 -12.4081 -12.4075 -12.1932 -12.1927 -11.6111 -11.6108 -5.3494 -5.3490 -5.1648 -5.1641 -3.6155 -3.6105 -3.2558 -3.2505 3.0015 3.0127 3.2551 3.2568 3.6131 3.6264 5.4546 5.4564 7.5640 7.5667 8.0209 8.0262 9.2674 9.2749 k = 0.3651-0.3255 0.0000 ( 2718 PWs) bands (ev): -28.4081 -28.4081 -24.1418 -24.1418 -17.7741 -17.7740 -12.3981 -12.3975 -12.1837 -12.1832 -11.6141 -11.6138 -5.3589 -5.3584 -5.1451 -5.1445 -3.6155 -3.6100 -3.2497 -3.2439 2.9832 2.9941 3.1921 3.1937 3.6083 3.6219 5.4789 5.4809 7.5998 7.6027 8.0117 8.0168 9.2331 9.2403 k = 0.3571-0.3184 0.0000 ( 2718 PWs) bands (ev): -28.4111 -28.4111 -24.1476 -24.1476 -17.7632 -17.7632 -12.3877 -12.3870 -12.1738 -12.1732 -11.6173 -11.6169 -5.3705 -5.3701 -5.1225 -5.1220 -3.6165 -3.6106 -3.2425 -3.2362 2.9661 2.9768 3.1262 3.1277 3.6033 3.6169 5.5011 5.5035 7.6338 7.6369 8.0074 8.0122 9.1857 9.1916 k = 0.3492-0.3113 0.0000 ( 2714 PWs) bands (ev): -28.4143 -28.4143 -24.1537 -24.1537 -17.7519 -17.7519 -12.3767 -12.3760 -12.1634 -12.1627 -11.6205 -11.6202 -5.3840 -5.3836 -5.0976 -5.0971 -3.6187 -3.6124 -3.2341 -3.2275 2.9504 2.9606 3.0579 3.0596 3.5975 3.6112 5.5208 5.5235 7.6651 7.6684 8.0094 8.0136 9.1320 9.1369 k = 0.3413-0.3043 0.0000 ( 2714 PWs) bands (ev): -28.4175 -28.4175 -24.1600 -24.1600 -17.7401 -17.7401 -12.3654 -12.3646 -12.1525 -12.1519 -11.6239 -11.6235 -5.3989 -5.3985 -5.0707 -5.0701 -3.6222 -3.6156 -3.2245 -3.2175 2.9350 2.9436 2.9888 2.9917 3.5908 3.6045 5.5371 5.5403 7.6930 7.6966 8.0187 8.0221 9.0771 9.0812 k = 0.3333-0.2972 0.0000 ( 2716 PWs) bands (ev): -28.4209 -28.4209 -24.1665 -24.1664 -17.7279 -17.7279 -12.3536 -12.3528 -12.1413 -12.1406 -11.6273 -11.6269 -5.4151 -5.4146 -5.0418 -5.0413 -3.6272 -3.6204 -3.2135 -3.2062 2.9035 2.9048 2.9357 2.9456 3.5832 3.5968 5.5495 5.5531 7.7172 7.7211 8.0358 8.0384 9.0237 9.0274 k = 0.3254-0.2901 0.0000 ( 2710 PWs) bands (ev): -28.4243 -28.4243 -24.1731 -24.1731 -17.7153 -17.7152 -12.3415 -12.3407 -12.1296 -12.1289 -11.6308 -11.6304 -5.4323 -5.4319 -5.0113 -5.0108 -3.6337 -3.6268 -3.2011 -3.1936 2.8346 2.8348 2.9202 2.9309 3.5745 3.5881 5.5573 5.5614 7.7385 7.7425 8.0604 8.0623 8.9737 8.9771 k = 0.3175-0.2830 0.0000 ( 2706 PWs) bands (ev): -28.4278 -28.4278 -24.1799 -24.1799 -17.7023 -17.7022 -12.3290 -12.3282 -12.1176 -12.1168 -11.6344 -11.6340 -5.4504 -5.4500 -4.9793 -4.9788 -3.6419 -3.6348 -3.1874 -3.1796 2.7593 2.7595 2.9115 2.9219 3.5647 3.5782 5.5601 5.5646 7.7579 7.7619 8.0916 8.0927 8.9282 8.9315 k = 0.3095-0.2760 0.0000 ( 2704 PWs) bands (ev): -28.4315 -28.4314 -24.1869 -24.1869 -17.6889 -17.6888 -12.3163 -12.3154 -12.1052 -12.1044 -11.6380 -11.6376 -5.4694 -5.4689 -4.9457 -4.9453 -3.6517 -3.6445 -3.1722 -3.1644 2.6820 2.6823 2.9055 2.9157 3.5538 3.5673 5.5573 5.5623 7.7767 7.7806 8.1278 8.1285 8.8882 8.8913 k = 0.3016-0.2689 0.0000 ( 2706 PWs) bands (ev): -28.4351 -28.4351 -24.1940 -24.1940 -17.6752 -17.6752 -12.3032 -12.3023 -12.0925 -12.0917 -11.6417 -11.6413 -5.4890 -5.4885 -4.9108 -4.9104 -3.6631 -3.6559 -3.1558 -3.1479 2.6035 2.6038 2.9016 2.9116 3.5419 3.5553 5.5489 5.5543 7.7962 7.7998 8.1675 8.1680 8.8546 8.8576 k = 0.2937-0.2618 0.0000 ( 2704 PWs) bands (ev): -28.4389 -28.4389 -24.2012 -24.2012 -17.6612 -17.6612 -12.2900 -12.2890 -12.0795 -12.0787 -11.6454 -11.6450 -5.5093 -5.5087 -4.8747 -4.8742 -3.6761 -3.6690 -3.1382 -3.1303 2.5239 2.5242 2.8998 2.9096 3.5290 3.5424 5.5346 5.5405 7.8170 7.8202 8.2094 8.2101 8.8285 8.8313 k = 0.2857-0.2547 0.0000 ( 2702 PWs) bands (ev): -28.4427 -28.4427 -24.2085 -24.2085 -17.6470 -17.6469 -12.2765 -12.2756 -12.0662 -12.0654 -11.6491 -11.6487 -5.5300 -5.5295 -4.8373 -4.8368 -3.6905 -3.6836 -3.1194 -3.1116 2.4434 2.4438 2.8999 2.9095 3.5152 3.5286 5.5146 5.5209 7.8392 7.8418 8.2525 8.2534 8.8107 8.8135 k = 0.2778-0.2477 0.0000 ( 2702 PWs) bands (ev): -28.4465 -28.4465 -24.2159 -24.2159 -17.6325 -17.6324 -12.2629 -12.2619 -12.0526 -12.0518 -11.6528 -11.6524 -5.5513 -5.5507 -4.7987 -4.7983 -3.7064 -3.6996 -3.0996 -3.0919 2.3623 2.3626 2.9017 2.9112 3.5007 3.5140 5.4892 5.4958 7.8624 7.8644 8.2958 8.2970 8.8024 8.8053 k = 0.2698-0.2406 0.0000 ( 2702 PWs) bands (ev): -28.4504 -28.4504 -24.2233 -24.2233 -17.6178 -17.6177 -12.2492 -12.2482 -12.0388 -12.0380 -11.6565 -11.6561 -5.5729 -5.5724 -4.7591 -4.7586 -3.7237 -3.7171 -3.0789 -3.0713 2.2806 2.2810 2.9052 2.9145 3.4857 3.4989 5.4587 5.4656 7.8858 7.8872 8.3386 8.3399 8.8037 8.8079 k = 0.2619-0.2335 0.0000 ( 2702 PWs) bands (ev): -28.4543 -28.4543 -24.2308 -24.2307 -17.6029 -17.6029 -12.2353 -12.2343 -12.0249 -12.0240 -11.6602 -11.6597 -5.5949 -5.5943 -4.7184 -4.7180 -3.7422 -3.7357 -3.0575 -3.0499 2.1985 2.1989 2.9100 2.9192 3.4703 3.4834 5.4237 5.4308 7.9084 7.9092 8.3804 8.3819 8.7975 8.8080 k = 0.2540-0.2264 0.0000 ( 2696 PWs) bands (ev): -28.4582 -28.4582 -24.2382 -24.2382 -17.5879 -17.5879 -12.2215 -12.2205 -12.0107 -12.0099 -11.6638 -11.6633 -5.6171 -5.6165 -4.6768 -4.6763 -3.7618 -3.7555 -3.0353 -3.0280 2.1162 2.1166 2.9159 2.9249 3.4548 3.4678 5.3848 5.3920 7.9287 7.9294 8.4214 8.4229 8.7221 8.7242 k = 0.2460-0.2194 0.0000 ( 2700 PWs) bands (ev): -28.4621 -28.4621 -24.2457 -24.2457 -17.5728 -17.5728 -12.2077 -12.2066 -11.9964 -11.9956 -11.6674 -11.6669 -5.6394 -5.6389 -4.6343 -4.6338 -3.7824 -3.7764 -3.0126 -3.0055 2.0338 2.0341 2.9223 2.9312 3.4398 3.4527 5.3425 5.3499 7.9458 7.9468 8.4620 8.4634 8.6375 8.6387 k = 0.2381-0.2123 0.0000 ( 2704 PWs) bands (ev): -28.4660 -28.4660 -24.2531 -24.2531 -17.5577 -17.5576 -12.1939 -12.1929 -11.9821 -11.9812 -11.6709 -11.6703 -5.6620 -5.6614 -4.5909 -4.5904 -3.8038 -3.7981 -2.9895 -2.9825 1.9513 1.9517 2.9289 2.9375 3.4256 3.4383 5.2977 5.3050 7.9590 7.9604 8.5028 8.5037 8.5533 8.5546 k = 0.2302-0.2052 0.0000 ( 2704 PWs) bands (ev): -28.4699 -28.4699 -24.2605 -24.2605 -17.5425 -17.5424 -12.1802 -12.1792 -11.9676 -11.9667 -11.6742 -11.6737 -5.6845 -5.6839 -4.5469 -4.5464 -3.8261 -3.8206 -2.9661 -2.9593 1.8690 1.8694 2.9349 2.9432 3.4130 3.4254 5.2508 5.2582 7.9681 7.9699 8.4694 8.4699 8.5454 8.5471 k = 0.2222-0.1981 0.0000 ( 2706 PWs) bands (ev): -28.4738 -28.4738 -24.2679 -24.2679 -17.5274 -17.5273 -12.1667 -12.1657 -11.9531 -11.9522 -11.6775 -11.6769 -5.7071 -5.7065 -4.5021 -4.5016 -3.8489 -3.8437 -2.9425 -2.9359 1.7870 1.7873 2.9396 2.9476 3.4026 3.4146 5.2026 5.2098 7.9732 7.9753 8.3881 8.3886 8.5886 8.5901 k = 0.2143-0.1910 0.0000 ( 2702 PWs) bands (ev): -28.4776 -28.4776 -24.2752 -24.2751 -17.5123 -17.5122 -12.1533 -12.1523 -11.9386 -11.9377 -11.6806 -11.6800 -5.7296 -5.7290 -4.4568 -4.4563 -3.8722 -3.8672 -2.9188 -2.9123 1.7054 1.7057 2.9422 2.9497 3.3952 3.4067 5.1535 5.1607 7.9745 7.9769 8.3086 8.3091 8.6332 8.6346 k = 0.2063-0.1840 0.0000 ( 2706 PWs) bands (ev): -28.4814 -28.4814 -24.2823 -24.2823 -17.4972 -17.4972 -12.1402 -12.1392 -11.9241 -11.9233 -11.6835 -11.6830 -5.7520 -5.7514 -4.4110 -4.4105 -3.8959 -3.8912 -2.8951 -2.8888 1.6243 1.6246 2.9419 2.9488 3.3915 3.4024 5.1042 5.1112 7.9725 7.9750 8.2315 8.2320 8.6786 8.6800 k = 0.1984-0.1769 0.0000 ( 2698 PWs) bands (ev): -28.4851 -28.4851 -24.2894 -24.2894 -17.4824 -17.4823 -12.1274 -12.1264 -11.9097 -11.9089 -11.6863 -11.6857 -5.7743 -5.7736 -4.3649 -4.3643 -3.9198 -3.9153 -2.8714 -2.8654 1.5439 1.5442 2.9380 2.9442 3.3923 3.4024 5.0550 5.0618 7.9672 7.9697 8.1574 8.1580 8.7245 8.7260 k = 0.1905-0.1698 0.0000 ( 2696 PWs) bands (ev): -28.4888 -28.4888 -24.2964 -24.2963 -17.4677 -17.4676 -12.1148 -12.1138 -11.8954 -11.8946 -11.6889 -11.6883 -5.7962 -5.7956 -4.3185 -4.3178 -3.9438 -3.9396 -2.8480 -2.8422 1.4643 1.4646 2.9302 2.9356 3.3979 3.4070 5.0064 5.0130 7.9579 7.9602 8.0877 8.0884 8.7704 8.7719 k = 0.1825-0.1627 0.0000 ( 2698 PWs) bands (ev): -28.4924 -28.4924 -24.3031 -24.3031 -17.4532 -17.4531 -12.1027 -12.1017 -11.8813 -11.8805 -11.6913 -11.6907 -5.8179 -5.8172 -4.2720 -4.2712 -3.9677 -3.9638 -2.8248 -2.8193 1.3856 1.3860 2.9182 2.9228 3.4081 3.4163 4.9587 4.9650 7.9406 7.9426 8.0268 8.0279 8.8158 8.8173 k = 0.1746-0.1557 0.0000 ( 2692 PWs) bands (ev): -28.4959 -28.4959 -24.3098 -24.3098 -17.4389 -17.4388 -12.0909 -12.0900 -11.8674 -11.8665 -11.6934 -11.6929 -5.8392 -5.8385 -4.2255 -4.2247 -3.9914 -3.9877 -2.8021 -2.7967 1.3081 1.3085 2.9024 2.9062 3.4229 3.4301 4.9123 4.9183 7.9053 7.9066 7.9855 7.9872 8.8605 8.8620 k = 0.1667-0.1486 0.0000 ( 2690 PWs) bands (ev): -28.4993 -28.4993 -24.3162 -24.3162 -17.4249 -17.4249 -12.0796 -12.0787 -11.8537 -11.8529 -11.6954 -11.6948 -5.8600 -5.8594 -4.1794 -4.1783 -4.0146 -4.0112 -2.7798 -2.7746 1.2319 1.2323 2.8832 2.8862 3.4415 3.4479 4.8673 4.8731 7.8519 7.8527 7.9640 7.9660 8.9041 8.9056 k = 0.1587-0.1415 0.0000 ( 2697 PWs) bands (ev): -28.5027 -28.5027 -24.3225 -24.3225 -17.4113 -17.4113 -12.0688 -12.0679 -11.8403 -11.8395 -11.6970 -11.6965 -5.8804 -5.8798 -4.1343 -4.1328 -4.0367 -4.0336 -2.7580 -2.7531 1.1572 1.1575 2.8610 2.8633 3.4635 3.4691 4.8240 4.8295 7.7930 7.7936 7.9502 7.9522 8.9463 8.9478 k = 0.1508-0.1344 0.0000 ( 2697 PWs) bands (ev): -28.5059 -28.5059 -24.3286 -24.3285 -17.3981 -17.3980 -12.0585 -12.0576 -11.8273 -11.8265 -11.6984 -11.6979 -5.9003 -5.8996 -4.0949 -4.0916 -4.0538 -4.0508 -2.7369 -2.7322 1.0840 1.0844 2.8366 2.8384 3.4881 3.4930 4.7826 4.7877 7.7341 7.7345 7.9388 7.9406 8.9871 8.9886 k = 0.1429-0.1274 0.0000 ( 2697 PWs) bands (ev): -28.5090 -28.5090 -24.3344 -24.3344 -17.3853 -17.3852 -12.0487 -12.0479 -11.8147 -11.8139 -11.6995 -11.6990 -5.9195 -5.9189 -4.0913 -4.0874 -4.0338 -4.0322 -2.7164 -2.7120 1.0127 1.0130 2.8104 2.8118 3.5148 3.5191 4.7431 4.7479 7.6769 7.6772 7.9282 7.9299 9.0261 9.0276 k = 0.1349-0.1203 0.0000 ( 2695 PWs) bands (ev): -28.5120 -28.5120 -24.3400 -24.3400 -17.3729 -17.3728 -12.0395 -12.0387 -11.8025 -11.8018 -11.7003 -11.6998 -5.9381 -5.9375 -4.1096 -4.1064 -3.9914 -3.9908 -2.6967 -2.6925 0.9433 0.9436 2.7831 2.7842 3.5430 3.5468 4.7057 4.7102 7.6219 7.6222 7.9180 7.9196 9.0634 9.0649 k = 0.1270-0.1132 0.0000 ( 2689 PWs) bands (ev): -28.5148 -28.5148 -24.3454 -24.3453 -17.3609 -17.3609 -12.0308 -12.0300 -11.7908 -11.7901 -11.7008 -11.7002 -5.9560 -5.9554 -4.1296 -4.1267 -3.9479 -3.9477 -2.6778 -2.6738 0.8762 0.8765 2.7552 2.7559 3.5721 3.5756 4.6704 4.6746 7.5696 7.5699 7.9081 7.9096 9.0988 9.1003 k = 0.1190-0.1061 0.0000 ( 2681 PWs) bands (ev): -28.5175 -28.5175 -24.3504 -24.3504 -17.3495 -17.3495 -12.0227 -12.0220 -11.7798 -11.7791 -11.7009 -11.7004 -5.9731 -5.9725 -4.1492 -4.1467 -3.9051 -3.9050 -2.6598 -2.6561 0.8114 0.8117 2.7271 2.7276 3.6018 3.6049 4.6373 4.6412 7.5201 7.5203 7.8985 7.8998 9.1323 9.1337 k = 0.1111-0.0991 0.0000 ( 2683 PWs) bands (ev): -28.5201 -28.5201 -24.3553 -24.3553 -17.3387 -17.3387 -12.0152 -12.0145 -11.7694 -11.7687 -11.7007 -11.7001 -5.9894 -5.9889 -4.1682 -4.1658 -3.8633 -3.8633 -2.6428 -2.6393 0.7493 0.7496 2.6992 2.6995 3.6315 3.6343 4.6064 4.6100 7.4734 7.4736 7.8892 7.8904 9.1637 9.1650 k = 0.1032-0.0920 0.0000 ( 2685 PWs) bands (ev): -28.5226 -28.5225 -24.3598 -24.3598 -17.3285 -17.3284 -12.0084 -12.0077 -11.7598 -11.7592 -11.7001 -11.6995 -6.0048 -6.0043 -4.1862 -4.1840 -3.8230 -3.8229 -2.6267 -2.6234 0.6900 0.6903 2.6718 2.6720 3.6610 3.6634 4.5777 4.5811 7.4296 7.4298 7.8803 7.8813 9.1930 9.1943 k = 0.0952-0.0849 0.0000 ( 2685 PWs) bands (ev): -28.5248 -28.5248 -24.3641 -24.3640 -17.3188 -17.3188 -12.0021 -12.0015 -11.7510 -11.7504 -11.6990 -11.6985 -6.0193 -6.0188 -4.2032 -4.2012 -3.7843 -3.7842 -2.6117 -2.6087 0.6337 0.6340 2.6452 2.6453 3.6897 3.6919 4.5512 4.5543 7.3890 7.3891 7.8717 7.8726 9.2202 9.2214 k = 0.0873-0.0778 0.0000 ( 2683 PWs) bands (ev): -28.5269 -28.5269 -24.3680 -24.3680 -17.3099 -17.3098 -11.9964 -11.9958 -11.7432 -11.7427 -11.6974 -11.6970 -6.0329 -6.0324 -4.2191 -4.2173 -3.7474 -3.7473 -2.5978 -2.5950 0.5808 0.5811 2.6198 2.6199 3.7175 3.7195 4.5270 4.5298 7.3514 7.3515 7.8635 7.8643 9.2453 9.2464 k = 0.0794-0.0708 0.0000 ( 2683 PWs) bands (ev): -28.5289 -28.5289 -24.3716 -24.3716 -17.3016 -17.3015 -11.9913 -11.9908 -11.7365 -11.7360 -11.6954 -11.6949 -6.0454 -6.0449 -4.2338 -4.2322 -3.7126 -3.7125 -2.5849 -2.5824 0.5314 0.5317 2.5958 2.5958 3.7440 3.7457 4.5050 4.5075 7.3169 7.3170 7.8557 7.8564 9.2682 9.2692 k = 0.0714-0.0637 0.0000 ( 2687 PWs) bands (ev): -28.5307 -28.5307 -24.3749 -24.3749 -17.2940 -17.2939 -11.9867 -11.9863 -11.7308 -11.7304 -11.6928 -11.6924 -6.0568 -6.0564 -4.2473 -4.2458 -3.6802 -3.6801 -2.5733 -2.5710 0.4858 0.4861 2.5734 2.5734 3.7688 3.7704 4.4851 4.4874 7.2856 7.2857 7.8485 7.8491 9.2889 9.2898 k = 0.0635-0.0566 0.0000 ( 2689 PWs) bands (ev): -28.5323 -28.5323 -24.3779 -24.3779 -17.2871 -17.2871 -11.9827 -11.9823 -11.7263 -11.7259 -11.6898 -11.6895 -6.0672 -6.0668 -4.2594 -4.2582 -3.6504 -3.6502 -2.5628 -2.5607 0.4442 0.4444 2.5528 2.5529 3.7918 3.7932 4.4674 4.4694 7.2575 7.2576 7.8419 7.8424 9.3074 9.3082 k = 0.0556-0.0495 0.0000 ( 2697 PWs) bands (ev): -28.5337 -28.5337 -24.3806 -24.3806 -17.2810 -17.2810 -11.9793 -11.9789 -11.7227 -11.7224 -11.6866 -11.6863 -6.0764 -6.0761 -4.2703 -4.2692 -3.6233 -3.6232 -2.5535 -2.5517 0.4069 0.4071 2.5343 2.5343 3.8127 3.8139 4.4519 4.4536 7.2326 7.2327 7.8359 7.8364 9.3237 9.3245 k = 0.0476-0.0425 0.0000 ( 2695 PWs) bands (ev): -28.5349 -28.5349 -24.3829 -24.3829 -17.2757 -17.2756 -11.9763 -11.9760 -11.7199 -11.7197 -11.6833 -11.6830 -6.0845 -6.0842 -4.2797 -4.2788 -3.5994 -3.5992 -2.5454 -2.5438 0.3740 0.3742 2.5179 2.5180 3.8313 3.8324 4.4385 4.4400 7.2111 7.2111 7.8306 7.8310 9.3379 9.3385 k = 0.0397-0.0354 0.0000 ( 2697 PWs) bands (ev): -28.5360 -28.5360 -24.3848 -24.3848 -17.2711 -17.2711 -11.9738 -11.9736 -11.7178 -11.7177 -11.6801 -11.6800 -6.0913 -6.0911 -4.2878 -4.2870 -3.5787 -3.5786 -2.5385 -2.5372 0.3458 0.3459 2.5038 2.5039 3.8474 3.8483 4.4272 4.4284 7.1928 7.1928 7.8260 7.8263 9.3499 9.3504 k = 0.0317-0.0283 0.0000 ( 2709 PWs) bands (ev): -28.5369 -28.5369 -24.3865 -24.3865 -17.2674 -17.2674 -11.9718 -11.9716 -11.7163 -11.7161 -11.6774 -11.6773 -6.0970 -6.0968 -4.2944 -4.2938 -3.5614 -3.5614 -2.5329 -2.5318 0.3224 0.3226 2.4921 2.4922 3.8608 3.8615 4.4180 4.4190 7.1777 7.1778 7.8222 7.8224 9.3596 9.3601 k = 0.0238-0.0212 0.0000 ( 2711 PWs) bands (ev): -28.5375 -28.5375 -24.3877 -24.3877 -17.2645 -17.2645 -11.9703 -11.9701 -11.7151 -11.7150 -11.6752 -11.6751 -6.1014 -6.1012 -4.2995 -4.2991 -3.5479 -3.5478 -2.5284 -2.5277 0.3041 0.3042 2.4830 2.4830 3.8714 3.8719 4.4109 4.4116 7.1660 7.1661 7.8192 7.8194 9.3672 9.3676 k = 0.0159-0.0142 0.0000 ( 2715 PWs) bands (ev): -28.5380 -28.5380 -24.3886 -24.3886 -17.2624 -17.2624 -11.9692 -11.9691 -11.7144 -11.7143 -11.6735 -11.6734 -6.1045 -6.1045 -4.3032 -4.3029 -3.5380 -3.5380 -2.5252 -2.5247 0.2909 0.2910 2.4764 2.4764 3.8790 3.8794 4.4058 4.4063 7.1577 7.1577 7.8171 7.8172 9.3727 9.3729 k = 0.0079-0.0071 0.0000 ( 2713 PWs) bands (ev): -28.5383 -28.5383 -24.3892 -24.3891 -17.2611 -17.2611 -11.9685 -11.9685 -11.7139 -11.7139 -11.6724 -11.6724 -6.1064 -6.1064 -4.3054 -4.3052 -3.5321 -3.5321 -2.5233 -2.5230 0.2830 0.2830 2.4724 2.4724 3.8837 3.8839 4.4029 4.4031 7.1527 7.1527 7.8158 7.8158 9.3760 9.3761 k = 0.0000 0.0000 0.0000 ( 2717 PWs) bands (ev): -28.5384 -28.5384 -24.3893 -24.3893 -17.2607 -17.2607 -11.9683 -11.9683 -11.7137 -11.7137 -11.6721 -11.6721 -6.1070 -6.1070 -4.3061 -4.3061 -3.5301 -3.5301 -2.5225 -2.5225 0.2803 0.2803 2.4711 2.4711 3.8853 3.8853 4.4020 4.4020 7.1510 7.1510 7.8154 7.8154 9.3771 9.3771 k = 0.0000 0.0000 0.0000 ( 2717 PWs) bands (ev): -28.5384 -28.5384 -24.3893 -24.3893 -17.2607 -17.2607 -11.9683 -11.9683 -11.7137 -11.7137 -11.6721 -11.6721 -6.1070 -6.1070 -4.3061 -4.3061 -3.5301 -3.5301 -2.5225 -2.5225 0.2803 0.2803 2.4711 2.4711 3.8853 3.8853 4.4020 4.4020 7.1510 7.1510 7.8154 7.8154 9.3771 9.3771 k = 0.0104 0.0012-0.0014 ( 2718 PWs) bands (ev): -28.5383 -28.5383 -24.3892 -24.3892 -17.2610 -17.2610 -11.9685 -11.9685 -11.7139 -11.7139 -11.6724 -11.6724 -6.1068 -6.1067 -4.3070 -4.3063 -3.5303 -3.5297 -2.5235 -2.5232 0.2824 0.2828 2.4724 2.4724 3.8845 3.8848 4.4027 4.4030 7.1522 7.1522 7.8148 7.8149 9.3763 9.3770 k = 0.0208 0.0024-0.0027 ( 2711 PWs) bands (ev): -28.5381 -28.5381 -24.3887 -24.3887 -17.2621 -17.2621 -11.9692 -11.9691 -11.7144 -11.7143 -11.6732 -11.6732 -6.1058 -6.1056 -4.3090 -4.3076 -3.5304 -3.5293 -2.5263 -2.5256 0.2889 0.2898 2.4762 2.4763 3.8824 3.8828 4.4054 4.4059 7.1556 7.1556 7.8132 7.8133 9.3746 9.3759 k = 0.0312 0.0036-0.0041 ( 2709 PWs) bands (ev): -28.5376 -28.5376 -24.3879 -24.3879 -17.2639 -17.2638 -11.9702 -11.9701 -11.7153 -11.7152 -11.6745 -11.6745 -6.1041 -6.1038 -4.3121 -4.3100 -3.5304 -3.5287 -2.5306 -2.5297 0.2999 0.3012 2.4827 2.4828 3.8789 3.8796 4.4098 4.4106 7.1612 7.1612 7.8105 7.8106 9.3719 9.3738 k = 0.0417 0.0048-0.0054 ( 2708 PWs) bands (ev): -28.5370 -28.5370 -24.3868 -24.3868 -17.2663 -17.2663 -11.9718 -11.9716 -11.7168 -11.7166 -11.6761 -11.6760 -6.1018 -6.1014 -4.3162 -4.3135 -3.5303 -3.5280 -2.5366 -2.5354 0.3153 0.3170 2.4917 2.4918 3.8741 3.8750 4.4162 4.4172 7.1691 7.1691 7.8067 7.8069 9.3684 9.3709 k = 0.0521 0.0060-0.0068 ( 2705 PWs) bands (ev): -28.5363 -28.5363 -24.3854 -24.3854 -17.2694 -17.2694 -11.9738 -11.9736 -11.7188 -11.7186 -11.6778 -11.6777 -6.0988 -6.0983 -4.3214 -4.3180 -3.5301 -3.5273 -2.5441 -2.5426 0.3349 0.3370 2.5031 2.5033 3.8680 3.8691 4.4243 4.4257 7.1790 7.1790 7.8019 7.8022 9.3640 9.3672 k = 0.0625 0.0072-0.0081 ( 2698 PWs) bands (ev): -28.5353 -28.5353 -24.3837 -24.3837 -17.2733 -17.2732 -11.9764 -11.9762 -11.7216 -11.7214 -11.6793 -11.6792 -6.0952 -6.0945 -4.3275 -4.3235 -3.5300 -3.5267 -2.5529 -2.5512 0.3586 0.3611 2.5170 2.5171 3.8607 3.8620 4.4344 4.4360 7.1909 7.1910 7.7960 7.7964 9.3590 9.3627 k = 0.0729 0.0084-0.0095 ( 2693 PWs) bands (ev): -28.5342 -28.5342 -24.3817 -24.3817 -17.2777 -17.2777 -11.9797 -11.9794 -11.7253 -11.7250 -11.6805 -11.6804 -6.0908 -6.0901 -4.3346 -4.3300 -3.5299 -3.5261 -2.5630 -2.5610 0.3863 0.3892 2.5331 2.5333 3.8521 3.8536 4.4464 4.4483 7.2046 7.2048 7.7891 7.7896 9.3532 9.3575 k = 0.0833 0.0096-0.0109 ( 2689 PWs) bands (ev): -28.5330 -28.5330 -24.3794 -24.3794 -17.2828 -17.2828 -11.9837 -11.9833 -11.7298 -11.7294 -11.6813 -11.6812 -6.0858 -6.0850 -4.3425 -4.3374 -3.5300 -3.5257 -2.5741 -2.5720 0.4178 0.4210 2.5513 2.5515 3.8423 3.8441 4.4603 4.4625 7.2201 7.2203 7.7812 7.7818 9.3470 9.3517 k = 0.0938 0.0108-0.0122 ( 2687 PWs) bands (ev): -28.5316 -28.5316 -24.3769 -24.3769 -17.2885 -17.2885 -11.9885 -11.9881 -11.7350 -11.7346 -11.6816 -11.6814 -6.0801 -6.0792 -4.3512 -4.3456 -3.5302 -3.5256 -2.5862 -2.5839 0.4528 0.4563 2.5716 2.5718 3.8315 3.8334 4.4761 4.4786 7.2369 7.2373 7.7724 7.7731 9.3402 9.3454 k = 0.1042 0.0120-0.0136 ( 2690 PWs) bands (ev): -28.5301 -28.5301 -24.3741 -24.3741 -17.2948 -17.2948 -11.9943 -11.9939 -11.7408 -11.7404 -11.6814 -11.6813 -6.0738 -6.0727 -4.3607 -4.3546 -3.5307 -3.5257 -2.5991 -2.5966 0.4911 0.4950 2.5937 2.5940 3.8196 3.8217 4.4940 4.4967 7.2550 7.2556 7.7627 7.7637 9.3331 9.3387 k = 0.1146 0.0132-0.0149 ( 2687 PWs) bands (ev): -28.5284 -28.5284 -24.3710 -24.3710 -17.3017 -17.3016 -12.0011 -12.0006 -11.7470 -11.7464 -11.6808 -11.6807 -6.0668 -6.0656 -4.3709 -4.3643 -3.5316 -3.5262 -2.6126 -2.6099 0.5326 0.5368 2.6176 2.6178 3.8067 3.8091 4.5138 4.5169 7.2739 7.2747 7.7522 7.7536 9.3258 9.3317 k = 0.1250 0.0144-0.0163 ( 2686 PWs) bands (ev): -28.5266 -28.5266 -24.3677 -24.3676 -17.3091 -17.3090 -12.0090 -12.0085 -11.7532 -11.7526 -11.6799 -11.6798 -6.0591 -6.0579 -4.3818 -4.3747 -3.5329 -3.5272 -2.6265 -2.6238 0.5770 0.5814 2.6429 2.6432 3.7929 3.7955 4.5357 4.5391 7.2933 7.2944 7.7412 7.7430 9.3183 9.3245 k = 0.1354 0.0156-0.0176 ( 2689 PWs) bands (ev): -28.5247 -28.5247 -24.3641 -24.3641 -17.3170 -17.3169 -12.0182 -12.0176 -11.7593 -11.7588 -11.6787 -11.6786 -6.0508 -6.0495 -4.3933 -4.3857 -3.5346 -3.5287 -2.6407 -2.6379 0.6240 0.6287 2.6696 2.6699 3.7782 3.7810 4.5597 4.5634 7.3126 7.3142 7.7299 7.7322 9.3106 9.3171 k = 0.1458 0.0168-0.0190 ( 2689 PWs) bands (ev): -28.5226 -28.5226 -24.3603 -24.3603 -17.3254 -17.3253 -12.0286 -12.0280 -11.7652 -11.7646 -11.6772 -11.6771 -6.0419 -6.0404 -4.4053 -4.3974 -3.5369 -3.5307 -2.6550 -2.6522 0.6735 0.6784 2.6975 2.6978 3.7629 3.7659 4.5858 4.5898 7.3314 7.3334 7.7187 7.7216 9.3029 9.3096 k = 0.1562 0.0180-0.0204 ( 2694 PWs) bands (ev): -28.5205 -28.5205 -24.3564 -24.3563 -17.3342 -17.3341 -12.0404 -12.0398 -11.7706 -11.7701 -11.6755 -11.6754 -6.0323 -6.0307 -4.4178 -4.4095 -3.5397 -3.5333 -2.6693 -2.6665 0.7251 0.7302 2.7264 2.7266 3.7468 3.7500 4.6141 4.6184 7.3488 7.3514 7.7080 7.7117 9.2952 9.3020 k = 0.1667 0.0192-0.0217 ( 2693 PWs) bands (ev): -28.5183 -28.5183 -24.3522 -24.3522 -17.3435 -17.3434 -12.0534 -12.0528 -11.7756 -11.7750 -11.6737 -11.6736 -6.0221 -6.0204 -4.4308 -4.4222 -3.5430 -3.5365 -2.6834 -2.6807 0.7786 0.7839 2.7559 2.7562 3.7301 3.7336 4.6446 4.6492 7.3640 7.3673 7.6984 7.7029 9.2874 9.2943 k = 0.1771 0.0204-0.0231 ( 2692 PWs) bands (ev): -28.5159 -28.5159 -24.3479 -24.3478 -17.3530 -17.3529 -12.0677 -12.0671 -11.7799 -11.7793 -11.6716 -11.6715 -6.0113 -6.0095 -4.4443 -4.4354 -3.5470 -3.5404 -2.6974 -2.6946 0.8338 0.8393 2.7861 2.7863 3.7130 3.7166 4.6774 4.6823 7.3760 7.3801 7.6906 7.6961 9.2795 9.2865 k = 0.1875 0.0216-0.0244 ( 2697 PWs) bands (ev): -28.5135 -28.5135 -24.3434 -24.3434 -17.3630 -17.3629 -12.0832 -12.0826 -11.7837 -11.7831 -11.6695 -11.6694 -5.9999 -5.9980 -4.4582 -4.4490 -3.5516 -3.5449 -2.7109 -2.7083 0.8904 0.8961 2.8165 2.8168 3.6954 3.6993 4.7124 4.7176 7.3840 7.3888 7.6855 7.6918 9.2715 9.2784 k = 0.1979 0.0228-0.0258 ( 2697 PWs) bands (ev): -28.5110 -28.5110 -24.3387 -24.3387 -17.3732 -17.3731 -12.0998 -12.0992 -11.7868 -11.7862 -11.6672 -11.6671 -5.9878 -5.9858 -4.4725 -4.4631 -3.5567 -3.5499 -2.7241 -2.7215 0.9483 0.9540 2.8471 2.8475 3.6775 3.6816 4.7497 4.7552 7.3870 7.3925 7.6835 7.6907 9.2631 9.2700 k = 0.2083 0.0240-0.0271 ( 2697 PWs) bands (ev): -28.5085 -28.5085 -24.3340 -24.3340 -17.3836 -17.3835 -12.1173 -12.1167 -11.7893 -11.7888 -11.6648 -11.6648 -5.9752 -5.9731 -4.4872 -4.4776 -3.5624 -3.5556 -2.7367 -2.7343 1.0071 1.0129 2.8776 2.8781 3.6593 3.6637 4.7893 4.7951 7.3849 7.3907 7.6849 7.6926 9.2544 9.2611 k = 0.2188 0.0252-0.0285 ( 2697 PWs) bands (ev): -28.5059 -28.5059 -24.3292 -24.3292 -17.3942 -17.3941 -12.1357 -12.1351 -11.7913 -11.7908 -11.6624 -11.6623 -5.9620 -5.9598 -4.5023 -4.4925 -3.5686 -3.5618 -2.7488 -2.7465 1.0666 1.0725 2.9079 2.9085 3.6410 3.6456 4.8313 4.8373 7.3775 7.3836 7.6893 7.6973 9.2450 9.2516 k = 0.2292 0.0264-0.0299 ( 2700 PWs) bands (ev): -28.5033 -28.5033 -24.3243 -24.3243 -17.4050 -17.4049 -12.1547 -12.1542 -11.7928 -11.7923 -11.6599 -11.6598 -5.9483 -5.9460 -4.5177 -4.5078 -3.5752 -3.5685 -2.7604 -2.7583 1.1266 1.1326 2.9377 2.9385 3.6227 3.6275 4.8756 4.8818 7.3656 7.3716 7.6958 7.7041 9.2349 9.2413 k = 0.2396 0.0276-0.0312 ( 2701 PWs) bands (ev): -28.5007 -28.5006 -24.3193 -24.3193 -17.4159 -17.4158 -12.1743 -12.1738 -11.7938 -11.7933 -11.6573 -11.6572 -5.9340 -5.9316 -4.5336 -4.5236 -3.5822 -3.5755 -2.7713 -2.7694 1.1868 1.1929 2.9670 2.9679 3.6043 3.6094 4.9222 4.9287 7.3496 7.3554 7.7036 7.7118 9.2238 9.2299 k = 0.2500 0.0288-0.0326 ( 2701 PWs) bands (ev): -28.4980 -28.4980 -24.3143 -24.3143 -17.4268 -17.4267 -12.1943 -12.1938 -11.7944 -11.7940 -11.6547 -11.6546 -5.9193 -5.9167 -4.5498 -4.5397 -3.5895 -3.5829 -2.7817 -2.7799 1.2471 1.2532 2.9955 2.9967 3.5860 3.5914 4.9711 4.9778 7.3305 7.3360 7.7116 7.7196 9.2116 9.2174 k = 0.2604 0.0300-0.0339 ( 2704 PWs) bands (ev): -28.4953 -28.4953 -24.3093 -24.3093 -17.4378 -17.4377 -12.2146 -12.2141 -11.7947 -11.7943 -11.6521 -11.6520 -5.9040 -5.9014 -4.5664 -4.5562 -3.5970 -3.5906 -2.7915 -2.7899 1.3072 1.3132 3.0231 3.0246 3.5680 3.5736 5.0223 5.0292 7.3089 7.3140 7.7188 7.7267 9.1982 9.2036 k = 0.2708 0.0312-0.0353 ( 2704 PWs) bands (ev): -28.4927 -28.4927 -24.3043 -24.3043 -17.4487 -17.4486 -12.2349 -12.2345 -11.7947 -11.7943 -11.6494 -11.6494 -5.8883 -5.8856 -4.5833 -4.5732 -3.6047 -3.5983 -2.8007 -2.7992 1.3668 1.3729 3.0497 3.0515 3.5502 3.5561 5.0756 5.0827 7.2852 7.2900 7.7246 7.7322 9.1835 9.1885 k = 0.2812 0.0324-0.0366 ( 2702 PWs) bands (ev): -28.4900 -28.4900 -24.2993 -24.2993 -17.4595 -17.4594 -12.2553 -12.2548 -11.7945 -11.7941 -11.6468 -11.6468 -5.8721 -5.8693 -4.6006 -4.5905 -3.6123 -3.6062 -2.8093 -2.8081 1.4258 1.4318 3.0752 3.0774 3.5327 3.5390 5.1311 5.1384 7.2600 7.2645 7.7283 7.7357 9.1675 9.1722 k = 0.2917 0.0336-0.0380 ( 2703 PWs) bands (ev): -28.4874 -28.4874 -24.2944 -24.2944 -17.4703 -17.4702 -12.2755 -12.2751 -11.7940 -11.7937 -11.6442 -11.6442 -5.8556 -5.8527 -4.6182 -4.6082 -3.6200 -3.6140 -2.8175 -2.8164 1.4839 1.4899 3.0994 3.1021 3.5157 3.5223 5.1886 5.1960 7.2336 7.2378 7.7295 7.7367 9.1504 9.1547 k = 0.3021 0.0348-0.0394 ( 2700 PWs) bands (ev): -28.4849 -28.4849 -24.2896 -24.2895 -17.4808 -17.4807 -12.2954 -12.2950 -11.7934 -11.7930 -11.6416 -11.6416 -5.8387 -5.8357 -4.6361 -4.6262 -3.6275 -3.6217 -2.8251 -2.8241 1.5409 1.5468 3.1224 3.1255 3.4992 3.5062 5.2481 5.2556 7.2064 7.2102 7.7280 7.7350 9.1322 9.1362 k = 0.3125 0.0360-0.0407 ( 2701 PWs) bands (ev): -28.4824 -28.4824 -24.2848 -24.2848 -17.4911 -17.4910 -12.3150 -12.3146 -11.7926 -11.7923 -11.6391 -11.6391 -5.8215 -5.8185 -4.6543 -4.6445 -3.6348 -3.6292 -2.8322 -2.8315 1.5966 1.6024 3.1439 3.1476 3.4833 3.4908 5.3094 5.3170 7.1784 7.1819 7.7235 7.7303 9.1132 9.1168 k = 0.3229 0.0371-0.0421 ( 2700 PWs) bands (ev): -28.4799 -28.4799 -24.2802 -24.2801 -17.5011 -17.5010 -12.3341 -12.3338 -11.7918 -11.7915 -11.6366 -11.6366 -5.8041 -5.8010 -4.6727 -4.6631 -3.6418 -3.6365 -2.8389 -2.8383 1.6507 1.6564 3.1640 3.1684 3.4681 3.4760 5.3724 5.3800 7.1499 7.1530 7.7161 7.7227 9.0935 9.0968 k = 0.3333 0.0383-0.0434 ( 2700 PWs) bands (ev): -28.4776 -28.4776 -24.2757 -24.2756 -17.5109 -17.5108 -12.3526 -12.3523 -11.7908 -11.7905 -11.6342 -11.6342 -5.7865 -5.7834 -4.6913 -4.6819 -3.6485 -3.6434 -2.8452 -2.8447 1.7032 1.7087 3.1826 3.1877 3.4537 3.4621 5.4369 5.4446 7.1209 7.1238 7.7057 7.7121 9.0735 9.0765 k = 0.3438 0.0395-0.0448 ( 2702 PWs) bands (ev): -28.4753 -28.4753 -24.2713 -24.2713 -17.5202 -17.5201 -12.3705 -12.3702 -11.7898 -11.7896 -11.6319 -11.6319 -5.7688 -5.7657 -4.7099 -4.7008 -3.6549 -3.6500 -2.8511 -2.8507 1.7536 1.7591 3.1996 3.2055 3.4401 3.4492 5.5028 5.5105 7.0916 7.0942 7.6925 7.6987 9.0533 9.0560 k = 0.3542 0.0407-0.0461 ( 2701 PWs) bands (ev): -28.4731 -28.4731 -24.2671 -24.2671 -17.5292 -17.5291 -12.3876 -12.3873 -11.7888 -11.7886 -11.6297 -11.6297 -5.7511 -5.7479 -4.7286 -4.7198 -3.6608 -3.6562 -2.8566 -2.8563 1.8020 1.8072 3.2150 3.2217 3.4275 3.4372 5.5699 5.5775 7.0619 7.0642 7.6766 7.6826 9.0332 9.0356 k = 0.3646 0.0419-0.0475 ( 2699 PWs) bands (ev): -28.4710 -28.4710 -24.2632 -24.2632 -17.5378 -17.5377 -12.4039 -12.4036 -11.7878 -11.7876 -11.6276 -11.6275 -5.7335 -5.7303 -4.7472 -4.7387 -3.6662 -3.6620 -2.8617 -2.8615 1.8480 1.8530 3.2286 3.2362 3.4161 3.4265 5.6380 5.6456 7.0319 7.0339 7.6584 7.6642 9.0134 9.0156 k = 0.3750 0.0431-0.0488 ( 2699 PWs) bands (ev): -28.4691 -28.4691 -24.2594 -24.2594 -17.5458 -17.5458 -12.4192 -12.4190 -11.7868 -11.7866 -11.6255 -11.6255 -5.7161 -5.7129 -4.7656 -4.7574 -3.6712 -3.6673 -2.8665 -2.8663 1.8915 1.8963 3.2405 3.2489 3.4060 3.4170 5.7068 5.7144 7.0013 7.0031 7.6381 7.6438 8.9942 8.9962 k = 0.3854 0.0443-0.0502 ( 2703 PWs) bands (ev): -28.4672 -28.4672 -24.2559 -24.2559 -17.5534 -17.5533 -12.4336 -12.4334 -11.7858 -11.7856 -11.6236 -11.6236 -5.6989 -5.6958 -4.7836 -4.7759 -3.6758 -3.6721 -2.8709 -2.8707 1.9323 1.9368 3.2505 3.2597 3.3973 3.4089 5.7762 5.7837 6.9702 6.9717 7.6162 7.6217 8.9757 8.9775 k = 0.3958 0.0455-0.0516 ( 2705 PWs) bands (ev): -28.4655 -28.4655 -24.2526 -24.2526 -17.5605 -17.5604 -12.4470 -12.4468 -11.7848 -11.7847 -11.6219 -11.6219 -5.6823 -5.6792 -4.8011 -4.7938 -3.6798 -3.6764 -2.8750 -2.8748 1.9702 1.9744 3.2586 3.2685 3.3903 3.4023 5.8460 5.8533 6.9384 6.9396 7.5933 7.5985 8.9582 8.9597 k = 0.4062 0.0467-0.0529 ( 2705 PWs) bands (ev): -28.4640 -28.4640 -24.2496 -24.2496 -17.5669 -17.5669 -12.4593 -12.4591 -11.7839 -11.7838 -11.6203 -11.6203 -5.6662 -5.6633 -4.8179 -4.8111 -3.6834 -3.6803 -2.8787 -2.8785 2.0051 2.0090 3.2649 3.2751 3.3851 3.3972 5.9158 5.9229 6.9055 6.9064 7.5697 7.5746 8.9418 8.9432 k = 0.4167 0.0479-0.0543 ( 2707 PWs) bands (ev): -28.4625 -28.4625 -24.2469 -24.2468 -17.5728 -17.5727 -12.4704 -12.4702 -11.7831 -11.7830 -11.6188 -11.6188 -5.6510 -5.6482 -4.8338 -4.8276 -3.6865 -3.6838 -2.8821 -2.8819 2.0367 2.0403 3.2695 3.2796 3.3818 3.3935 5.9853 5.9922 6.8713 6.8721 7.5462 7.5508 8.9266 8.9279 k = 0.4271 0.0491-0.0556 ( 2708 PWs) bands (ev): -28.4613 -28.4613 -24.2444 -24.2444 -17.5780 -17.5780 -12.4803 -12.4801 -11.7823 -11.7822 -11.6175 -11.6175 -5.6368 -5.6342 -4.8486 -4.8430 -3.6892 -3.6868 -2.8850 -2.8849 2.0650 2.0682 3.2726 3.2821 3.3801 3.3911 6.0543 6.0609 6.8355 6.8363 7.5233 7.5275 8.9130 8.9140 k = 0.4375 0.0503-0.0570 ( 2709 PWs) bands (ev): -28.4602 -28.4602 -24.2423 -24.2423 -17.5826 -17.5825 -12.4889 -12.4888 -11.7817 -11.7816 -11.6163 -11.6163 -5.6238 -5.6214 -4.8621 -4.8571 -3.6914 -3.6894 -2.8876 -2.8875 2.0899 2.0927 3.2744 3.2830 3.3800 3.3897 6.1223 6.1287 6.7978 6.7988 7.5018 7.5056 8.9008 8.9017 k = 0.4479 0.0515-0.0583 ( 2712 PWs) bands (ev): -28.4592 -28.4592 -24.2404 -24.2404 -17.5865 -17.5865 -12.4963 -12.4962 -11.7811 -11.7810 -11.6154 -11.6153 -5.6122 -5.6101 -4.8740 -4.8697 -3.6933 -3.6915 -2.8899 -2.8897 2.1112 2.1135 3.2754 3.2827 3.3808 3.3891 6.1891 6.1951 6.7580 6.7593 7.4823 7.4856 8.8904 8.8911 k = 0.4583 0.0527-0.0597 ( 2711 PWs) bands (ev): -28.4584 -28.4584 -24.2389 -24.2389 -17.5897 -17.5897 -12.5024 -12.5023 -11.7806 -11.7805 -11.6145 -11.6145 -5.6022 -5.6005 -4.8840 -4.8805 -3.6947 -3.6933 -2.8917 -2.8915 2.1288 2.1307 3.2758 3.2817 3.3821 3.3889 6.2541 6.2597 6.7161 6.7178 7.4655 7.4682 8.8817 8.8823 k = 0.4688 0.0539-0.0611 ( 2711 PWs) bands (ev): -28.4578 -28.4578 -24.2377 -24.2377 -17.5922 -17.5922 -12.5071 -12.5071 -11.7802 -11.7802 -11.6139 -11.6139 -5.5942 -5.5929 -4.8920 -4.8893 -3.6958 -3.6947 -2.8931 -2.8930 2.1426 2.1441 3.2760 3.2804 3.3837 3.3888 6.3165 6.3216 6.6722 6.6744 7.4518 7.4539 8.8749 8.8753 k = 0.4792 0.0551-0.0624 ( 2710 PWs) bands (ev): -28.4574 -28.4574 -24.2369 -24.2369 -17.5940 -17.5940 -12.5105 -12.5105 -11.7799 -11.7799 -11.6134 -11.6134 -5.5882 -5.5873 -4.8977 -4.8959 -3.6965 -3.6958 -2.8941 -2.8940 2.1527 2.1536 3.2762 3.2791 3.3853 3.3886 6.3750 6.3795 6.6274 6.6299 7.4418 7.4432 8.8700 8.8703 k = 0.4896 0.0563-0.0638 ( 2715 PWs) bands (ev): -28.4571 -28.4571 -24.2364 -24.2364 -17.5951 -17.5951 -12.5126 -12.5126 -11.7798 -11.7797 -11.6132 -11.6132 -5.5845 -5.5840 -4.9010 -4.9001 -3.6968 -3.6964 -2.8947 -2.8947 2.1588 2.1593 3.2765 3.2780 3.3866 3.3883 6.4255 6.4288 6.5859 6.5882 7.4358 7.4365 8.8671 8.8672 k = 0.5000 0.0575-0.0651 ( 2718 PWs) bands (ev): -28.4570 -28.4570 -24.2362 -24.2362 -17.5955 -17.5955 -12.5133 -12.5133 -11.7797 -11.7797 -11.6131 -11.6131 -5.5831 -5.5831 -4.9018 -4.9018 -3.6968 -3.6968 -2.8949 -2.8949 2.1610 2.1610 3.2771 3.2771 3.3876 3.3876 6.4515 6.4515 6.5654 6.5654 7.4340 7.4340 8.8662 8.8662 k = 0.5000 0.0575 0.1892 ( 2702 PWs) bands (ev): -28.4569 -28.4569 -24.2367 -24.2367 -17.5954 -17.5954 -12.5133 -12.5133 -11.7756 -11.7756 -11.6054 -11.6054 -5.6332 -5.6332 -4.9054 -4.9054 -3.7012 -3.7012 -2.8889 -2.8889 2.1638 2.1638 3.3074 3.3074 3.6650 3.6650 6.3245 6.3245 6.4817 6.4817 7.5406 7.5406 8.6721 8.6721 k = 0.4902 0.0564 0.1855 ( 2703 PWs) bands (ev): -28.4570 -28.4570 -24.2368 -24.2368 -17.5950 -17.5950 -12.5127 -12.5127 -11.7757 -11.7756 -11.6055 -11.6054 -5.6343 -5.6339 -4.9048 -4.9040 -3.7012 -3.7008 -2.8888 -2.8887 2.1618 2.1623 3.3076 3.3080 3.6641 3.6646 6.3004 6.3028 6.5025 6.5040 7.5418 7.5423 8.6725 8.6726 k = 0.4804 0.0553 0.1818 ( 2705 PWs) bands (ev): -28.4572 -28.4572 -24.2373 -24.2373 -17.5941 -17.5941 -12.5109 -12.5109 -11.7758 -11.7758 -11.6057 -11.6057 -5.6373 -5.6365 -4.9021 -4.9004 -3.7008 -3.7001 -2.8883 -2.8882 2.1563 2.1573 3.3087 3.3096 3.6617 3.6627 6.2502 6.2536 6.5481 6.5499 7.5457 7.5469 8.6737 8.6739 k = 0.4706 0.0541 0.1781 ( 2704 PWs) bands (ev): -28.4576 -28.4576 -24.2380 -24.2380 -17.5925 -17.5925 -12.5079 -12.5078 -11.7761 -11.7760 -11.6062 -11.6061 -5.6421 -5.6409 -4.8974 -4.8949 -3.7001 -3.6991 -2.8874 -2.8873 2.1474 2.1488 3.3107 3.3120 3.6579 3.6595 6.1908 6.1948 6.6009 6.6024 7.5524 7.5541 8.6758 8.6761 k = 0.4608 0.0530 0.1744 ( 2706 PWs) bands (ev): -28.4581 -28.4581 -24.2391 -24.2391 -17.5902 -17.5902 -12.5037 -12.5036 -11.7765 -11.7764 -11.6068 -11.6068 -5.6486 -5.6470 -4.8908 -4.8876 -3.6990 -3.6977 -2.8862 -2.8861 2.1350 2.1368 3.3135 3.3153 3.6526 3.6548 6.1276 6.1320 6.6551 6.6563 7.5616 7.5640 8.6788 8.6792 k = 0.4510 0.0519 0.1706 ( 2707 PWs) bands (ev): -28.4588 -28.4588 -24.2404 -24.2404 -17.5874 -17.5873 -12.4983 -12.4982 -11.7769 -11.7768 -11.6076 -11.6076 -5.6566 -5.6547 -4.8824 -4.8784 -3.6976 -3.6959 -2.8847 -2.8846 2.1192 2.1215 3.3171 3.3194 3.6460 3.6487 6.0624 6.0672 6.7090 6.7098 7.5734 7.5763 8.6827 8.6832 k = 0.4412 0.0508 0.1669 ( 2705 PWs) bands (ev): -28.4597 -28.4597 -24.2421 -24.2420 -17.5839 -17.5839 -12.4917 -12.4916 -11.7775 -11.7774 -11.6086 -11.6085 -5.6660 -5.6639 -4.8725 -4.8677 -3.6958 -3.6938 -2.8829 -2.8827 2.1002 2.1028 3.3216 3.3243 3.6380 3.6413 5.9961 6.0012 6.7618 6.7622 7.5874 7.5908 8.6875 8.6881 k = 0.4314 0.0496 0.1632 ( 2707 PWs) bands (ev): -28.4607 -28.4607 -24.2440 -24.2440 -17.5798 -17.5798 -12.4840 -12.4839 -11.7781 -11.7780 -11.6097 -11.6096 -5.6767 -5.6743 -4.8610 -4.8556 -3.6935 -3.6912 -2.8807 -2.8805 2.0779 2.0809 3.3267 3.3300 3.6286 3.6326 5.9292 5.9346 6.8130 6.8134 7.6034 7.6073 8.6933 8.6939 k = 0.4216 0.0485 0.1595 ( 2705 PWs) bands (ev): -28.4618 -28.4618 -24.2461 -24.2461 -17.5752 -17.5751 -12.4752 -12.4750 -11.7788 -11.7787 -11.6110 -11.6109 -5.6885 -5.6858 -4.8483 -4.8423 -3.6909 -3.6883 -2.8782 -2.8780 2.0525 2.0559 3.3325 3.3363 3.6178 3.6225 5.8620 5.8676 6.8625 6.8632 7.6210 7.6255 8.7000 8.7007 k = 0.4118 0.0474 0.1558 ( 2705 PWs) bands (ev): -28.4631 -28.4631 -24.2486 -24.2486 -17.5700 -17.5699 -12.4653 -12.4651 -11.7796 -11.7795 -11.6124 -11.6123 -5.7011 -5.6983 -4.8345 -4.8279 -3.6879 -3.6850 -2.8754 -2.8752 2.0240 2.0278 3.3388 3.3432 3.6058 3.6112 5.7949 5.8007 6.9102 6.9114 7.6401 7.6450 8.7078 8.7085 k = 0.4020 0.0462 0.1521 ( 2704 PWs) bands (ev): -28.4645 -28.4645 -24.2513 -24.2512 -17.5642 -17.5641 -12.4543 -12.4542 -11.7805 -11.7803 -11.6140 -11.6139 -5.7146 -5.7116 -4.8197 -4.8127 -3.6845 -3.6812 -2.8723 -2.8721 1.9927 1.9968 3.3455 3.3505 3.5925 3.5987 5.7281 5.7341 6.9563 6.9579 7.6600 7.6654 8.7167 8.7174 k = 0.3922 0.0451 0.1484 ( 2708 PWs) bands (ev): -28.4660 -28.4660 -24.2542 -24.2542 -17.5579 -17.5578 -12.4424 -12.4422 -11.7814 -11.7812 -11.6157 -11.6157 -5.7286 -5.7256 -4.8042 -4.7967 -3.6806 -3.6770 -2.8688 -2.8686 1.9586 1.9630 3.3525 3.3582 3.5781 3.5853 5.6618 5.6680 7.0007 7.0027 7.6805 7.6864 8.7267 8.7275 k = 0.3824 0.0440 0.1447 ( 2709 PWs) bands (ev): -28.4677 -28.4677 -24.2573 -24.2573 -17.5511 -17.5511 -12.4295 -12.4293 -11.7824 -11.7822 -11.6176 -11.6175 -5.7432 -5.7400 -4.7881 -4.7801 -3.6763 -3.6724 -2.8651 -2.8649 1.9219 1.9265 3.3593 3.3659 3.5629 3.5711 5.5962 5.6026 7.0433 7.0458 7.7012 7.7074 8.7379 8.7387 k = 0.3725 0.0429 0.1410 ( 2707 PWs) bands (ev): -28.4694 -28.4694 -24.2607 -24.2607 -17.5439 -17.5438 -12.4157 -12.4155 -11.7834 -11.7831 -11.6196 -11.6195 -5.7581 -5.7549 -4.7715 -4.7631 -3.6716 -3.6674 -2.8610 -2.8608 1.8827 1.8875 3.3656 3.3733 3.5471 3.5566 5.5317 5.5381 7.0842 7.0871 7.7215 7.7281 8.7505 8.7513 k = 0.3627 0.0417 0.1373 ( 2706 PWs) bands (ev): -28.4713 -28.4713 -24.2643 -24.2643 -17.5362 -17.5361 -12.4010 -12.4008 -11.7844 -11.7842 -11.6217 -11.6216 -5.7732 -5.7700 -4.7545 -4.7458 -3.6664 -3.6620 -2.8567 -2.8564 1.8411 1.8462 3.3707 3.3796 3.5315 3.5424 5.4682 5.4748 7.1235 7.1267 7.7410 7.7479 8.7644 8.7653 k = 0.3529 0.0406 0.1335 ( 2705 PWs) bands (ev): -28.4733 -28.4733 -24.2680 -24.2680 -17.5281 -17.5280 -12.3856 -12.3853 -11.7854 -11.7852 -11.6239 -11.6238 -5.7885 -5.7853 -4.7373 -4.7283 -3.6609 -3.6562 -2.8520 -2.8516 1.7974 1.8026 3.3735 3.3836 3.5172 3.5296 5.4061 5.4127 7.1610 7.1645 7.7593 7.7665 8.7798 8.7807 k = 0.3431 0.0395 0.1298 ( 2704 PWs) bands (ev): -28.4753 -28.4753 -24.2720 -24.2719 -17.5196 -17.5195 -12.3694 -12.3691 -11.7864 -11.7862 -11.6262 -11.6261 -5.8039 -5.8006 -4.7199 -4.7106 -3.6550 -3.6501 -2.8470 -2.8466 1.7515 1.7570 3.3726 3.3835 3.5061 3.5195 5.3455 5.3522 7.1967 7.2006 7.7759 7.7834 8.7969 8.7978 k = 0.3333 0.0383 0.1261 ( 2703 PWs) bands (ev): -28.4775 -28.4775 -24.2760 -24.2760 -17.5108 -17.5107 -12.3525 -12.3523 -11.7875 -11.7872 -11.6286 -11.6285 -5.8192 -5.8160 -4.7025 -4.6930 -3.6487 -3.6435 -2.8417 -2.8411 1.7039 1.7095 3.3664 3.3774 3.5000 3.5136 5.2866 5.2932 7.2306 7.2348 7.7905 7.7983 8.8155 8.8165 k = 0.3235 0.0372 0.1224 ( 2705 PWs) bands (ev): -28.4797 -28.4797 -24.2803 -24.2802 -17.5016 -17.5015 -12.3351 -12.3348 -11.7884 -11.7881 -11.6311 -11.6310 -5.8344 -5.8313 -4.6850 -4.6753 -3.6421 -3.6367 -2.8360 -2.8353 1.6545 1.6602 3.3543 3.3642 3.5000 3.5127 5.2294 5.2360 7.2625 7.2670 7.8028 7.8108 8.8359 8.8369 k = 0.3137 0.0361 0.1187 ( 2706 PWs) bands (ev): -28.4820 -28.4820 -24.2846 -24.2846 -17.4922 -17.4921 -12.3171 -12.3168 -11.7894 -11.7891 -11.6337 -11.6336 -5.8495 -5.8464 -4.6677 -4.6578 -3.6353 -3.6297 -2.8299 -2.8291 1.6035 1.6094 3.3364 3.3447 3.5053 3.5165 5.1741 5.1807 7.2924 7.2972 7.8125 7.8207 8.8580 8.8590 k = 0.3039 0.0350 0.1150 ( 2705 PWs) bands (ev): -28.4844 -28.4844 -24.2890 -24.2890 -17.4825 -17.4824 -12.2988 -12.2984 -11.7902 -11.7899 -11.6363 -11.6362 -5.8644 -5.8614 -4.6504 -4.6404 -3.6282 -3.6224 -2.8234 -2.8225 1.5513 1.5572 3.3139 3.3205 3.5142 3.5241 5.1207 5.1273 7.3202 7.3252 7.8196 7.8279 8.8816 8.8828 k = 0.2941 0.0338 0.1113 ( 2701 PWs) bands (ev): -28.4868 -28.4868 -24.2936 -24.2936 -17.4727 -17.4726 -12.2800 -12.2796 -11.7909 -11.7906 -11.6389 -11.6388 -5.8791 -5.8761 -4.6334 -4.6232 -3.6209 -3.6150 -2.8165 -2.8154 1.4978 1.5038 3.2877 3.2929 3.5257 3.5343 5.0695 5.0760 7.3456 7.3508 7.8240 7.8325 8.9068 8.9081 k = 0.2843 0.0327 0.1076 ( 2697 PWs) bands (ev): -28.4892 -28.4892 -24.2982 -24.2982 -17.4626 -17.4625 -12.2610 -12.2606 -11.7915 -11.7911 -11.6416 -11.6415 -5.8934 -5.8905 -4.6165 -4.6063 -3.6136 -3.6074 -2.8092 -2.8080 1.4433 1.4493 3.2586 3.2627 3.5388 3.5464 5.0203 5.0268 7.3685 7.3739 7.8259 7.8344 8.9333 8.9348 k = 0.2745 0.0316 0.1039 ( 2701 PWs) bands (ev): -28.4917 -28.4917 -24.3028 -24.3028 -17.4525 -17.4524 -12.2419 -12.2415 -11.7919 -11.7915 -11.6443 -11.6442 -5.9074 -5.9046 -4.5998 -4.5896 -3.6062 -3.5999 -2.8014 -2.8000 1.3880 1.3941 3.2273 3.2306 3.5530 3.5598 4.9734 4.9797 7.3886 7.3942 7.8255 7.8341 8.9608 8.9625 k = 0.2647 0.0305 0.1002 ( 2701 PWs) bands (ev): -28.4942 -28.4942 -24.3075 -24.3075 -17.4422 -17.4421 -12.2227 -12.2223 -11.7922 -11.7917 -11.6471 -11.6469 -5.9211 -5.9184 -4.5834 -4.5732 -3.5989 -3.5925 -2.7931 -2.7916 1.3320 1.3381 3.1942 3.1967 3.5680 3.5743 4.9286 4.9348 7.4057 7.4114 7.8232 7.8318 8.9889 8.9908 k = 0.2549 0.0293 0.0964 ( 2703 PWs) bands (ev): -28.4967 -28.4967 -24.3122 -24.3122 -17.4320 -17.4318 -12.2036 -12.2031 -11.7921 -11.7917 -11.6498 -11.6496 -5.9343 -5.9317 -4.5673 -4.5570 -3.5916 -3.5851 -2.7843 -2.7826 1.2756 1.2817 3.1596 3.1616 3.5837 3.5894 4.8859 4.8920 7.4196 7.4253 7.8195 7.8280 9.0173 9.0195 k = 0.2451 0.0282 0.0927 ( 2703 PWs) bands (ev): -28.4992 -28.4992 -24.3169 -24.3169 -17.4216 -17.4215 -12.1846 -12.1841 -11.7918 -11.7914 -11.6525 -11.6523 -5.9472 -5.9447 -4.5514 -4.5412 -3.5846 -3.5780 -2.7750 -2.7732 1.2189 1.2250 3.1238 3.1254 3.5998 3.6051 4.8455 4.8514 7.4299 7.4355 7.8150 7.8232 9.0456 9.0481 k = 0.2353 0.0271 0.0890 ( 2701 PWs) bands (ev): -28.5017 -28.5017 -24.3216 -24.3216 -17.4114 -17.4113 -12.1659 -12.1654 -11.7912 -11.7908 -11.6551 -11.6550 -5.9596 -5.9572 -4.5358 -4.5257 -3.5778 -3.5711 -2.7652 -2.7632 1.1622 1.1682 3.0871 3.0884 3.6163 3.6212 4.8072 4.8129 7.4364 7.4419 7.8102 7.8181 9.0733 9.0761 k = 0.2255 0.0259 0.0853 ( 2702 PWs) bands (ev): -28.5042 -28.5042 -24.3262 -24.3262 -17.4012 -17.4011 -12.1476 -12.1471 -11.7902 -11.7898 -11.6578 -11.6576 -5.9716 -5.9692 -4.5205 -4.5106 -3.5713 -3.5646 -2.7548 -2.7526 1.1055 1.1115 3.0498 3.0507 3.6329 3.6375 4.7710 4.7765 7.4390 7.4442 7.8057 7.8132 9.1001 9.1033 k = 0.2157 0.0248 0.0816 ( 2702 PWs) bands (ev): -28.5066 -28.5066 -24.3308 -24.3308 -17.3911 -17.3910 -12.1299 -12.1293 -11.7889 -11.7884 -11.6604 -11.6602 -5.9831 -5.9808 -4.5056 -4.4958 -3.5652 -3.5585 -2.7439 -2.7416 1.0491 1.0550 3.0120 3.0128 3.6496 3.6540 4.7368 4.7421 7.4376 7.4424 7.8019 7.8088 9.1258 9.1292 k = 0.2059 0.0237 0.0779 ( 2696 PWs) bands (ev): -28.5091 -28.5091 -24.3353 -24.3353 -17.3811 -17.3810 -12.1127 -12.1122 -11.7870 -11.7865 -11.6629 -11.6627 -5.9941 -5.9919 -4.4910 -4.4813 -3.5596 -3.5528 -2.7325 -2.7301 0.9933 0.9991 2.9740 2.9746 3.6663 3.6705 4.7046 4.7098 7.4323 7.4367 7.7990 7.8053 9.1500 9.1538 k = 0.1961 0.0226 0.0742 ( 2694 PWs) bands (ev): -28.5114 -28.5114 -24.3397 -24.3397 -17.3713 -17.3712 -12.0964 -12.0958 -11.7847 -11.7841 -11.6653 -11.6651 -6.0046 -6.0026 -4.4766 -4.4672 -3.5544 -3.5476 -2.7207 -2.7181 0.9381 0.9438 2.9360 2.9365 3.6830 3.6869 4.6744 4.6793 7.4234 7.4273 7.7973 7.8029 9.1727 9.1767 k = 0.1863 0.0214 0.0705 ( 2694 PWs) bands (ev): -28.5138 -28.5138 -24.3441 -24.3440 -17.3618 -17.3617 -12.0809 -12.0804 -11.7818 -11.7813 -11.6677 -11.6675 -6.0146 -6.0127 -4.4627 -4.4535 -3.5497 -3.5430 -2.7084 -2.7057 0.8838 0.8894 2.8983 2.8987 3.6995 3.7031 4.6461 4.6508 7.4113 7.4146 7.7966 7.8015 9.1938 9.1981 k = 0.1765 0.0203 0.0668 ( 2691 PWs) bands (ev): -28.5160 -28.5160 -24.3482 -24.3482 -17.3524 -17.3524 -12.0664 -12.0659 -11.7784 -11.7778 -11.6699 -11.6697 -6.0242 -6.0223 -4.4491 -4.4401 -3.5455 -3.5389 -2.6957 -2.6929 0.8306 0.8361 2.8610 2.8614 3.7157 3.7192 4.6195 4.6240 7.3966 7.3994 7.7968 7.8011 9.2134 9.2179 k = 0.1667 0.0192 0.0631 ( 2693 PWs) bands (ev): -28.5182 -28.5182 -24.3523 -24.3523 -17.3434 -17.3433 -12.0530 -12.0524 -11.7744 -11.7739 -11.6720 -11.6718 -6.0332 -6.0315 -4.4359 -4.4272 -3.5419 -3.5354 -2.6827 -2.6799 0.7787 0.7840 2.8244 2.8248 3.7316 3.7349 4.5948 4.5990 7.3798 7.3821 7.7977 7.8013 9.2315 9.2361 k = 0.1569 0.0180 0.0594 ( 2692 PWs) bands (ev): -28.5203 -28.5203 -24.3562 -24.3562 -17.3347 -17.3346 -12.0407 -12.0401 -11.7699 -11.7694 -11.6740 -11.6738 -6.0417 -6.0401 -4.4231 -4.4148 -3.5388 -3.5324 -2.6695 -2.6667 0.7282 0.7334 2.7887 2.7891 3.7471 3.7502 4.5717 4.5757 7.3614 7.3633 7.7991 7.8021 9.2482 9.2529 k = 0.1471 0.0169 0.0556 ( 2689 PWs) bands (ev): -28.5224 -28.5224 -24.3600 -24.3599 -17.3264 -17.3263 -12.0295 -12.0290 -11.7649 -11.7644 -11.6757 -11.6755 -6.0497 -6.0481 -4.4108 -4.4027 -3.5362 -3.5300 -2.6561 -2.6533 0.6795 0.6844 2.7541 2.7545 3.7621 3.7650 4.5503 4.5540 7.3421 7.3436 7.8007 7.8033 9.2637 9.2684 k = 0.1373 0.0158 0.0519 ( 2687 PWs) bands (ev): -28.5243 -28.5243 -24.3635 -24.3635 -17.3184 -17.3184 -12.0195 -12.0190 -11.7596 -11.7591 -11.6773 -11.6771 -6.0571 -6.0557 -4.3989 -4.3912 -3.5341 -3.5281 -2.6427 -2.6399 0.6327 0.6374 2.7208 2.7212 3.7765 3.7792 4.5304 4.5339 7.3223 7.3235 7.8025 7.8047 9.2780 9.2827 k = 0.1275 0.0147 0.0482 ( 2697 PWs) bands (ev): -28.5262 -28.5262 -24.3669 -24.3669 -17.3109 -17.3108 -12.0107 -12.0102 -11.7540 -11.7535 -11.6787 -11.6785 -6.0641 -6.0628 -4.3876 -4.3803 -3.5325 -3.5267 -2.6294 -2.6267 0.5879 0.5924 2.6890 2.6893 3.7903 3.7928 4.5121 4.5154 7.3024 7.3033 7.8044 7.8061 9.2913 9.2959 k = 0.1176 0.0135 0.0445 ( 2693 PWs) bands (ev): -28.5279 -28.5279 -24.3701 -24.3701 -17.3038 -17.3037 -12.0030 -12.0025 -11.7482 -11.7478 -11.6798 -11.6796 -6.0705 -6.0693 -4.3768 -4.3699 -3.5313 -3.5258 -2.6163 -2.6136 0.5454 0.5497 2.6587 2.6591 3.8034 3.8057 4.4954 4.4983 7.2828 7.2835 7.8061 7.8075 9.3035 9.3080 k = 0.1078 0.0124 0.0408 ( 2695 PWs) bands (ev): -28.5295 -28.5295 -24.3731 -24.3730 -17.2972 -17.2971 -11.9963 -11.9958 -11.7425 -11.7421 -11.6806 -11.6804 -6.0764 -6.0753 -4.3665 -4.3601 -3.5304 -3.5253 -2.6035 -2.6010 0.5055 0.5095 2.6303 2.6307 3.8157 3.8179 4.4800 4.4828 7.2639 7.2644 7.8078 7.8089 9.3148 9.3191 k = 0.0980 0.0113 0.0371 ( 2694 PWs) bands (ev): -28.5310 -28.5310 -24.3758 -24.3758 -17.2910 -17.2910 -11.9905 -11.9901 -11.7370 -11.7366 -11.6810 -11.6809 -6.0818 -6.0808 -4.3570 -4.3510 -3.5299 -3.5251 -2.5912 -2.5888 0.4682 0.4719 2.6039 2.6042 3.8272 3.8292 4.4662 4.4686 7.2458 7.2462 7.8092 7.8101 9.3252 9.3292 k = 0.0882 0.0102 0.0334 ( 2692 PWs) bands (ev): -28.5324 -28.5324 -24.3783 -24.3783 -17.2854 -17.2854 -11.9856 -11.9853 -11.7318 -11.7315 -11.6811 -11.6809 -6.0866 -6.0857 -4.3480 -4.3426 -3.5296 -3.5252 -2.5795 -2.5773 0.4338 0.4372 2.5795 2.5798 3.8378 3.8396 4.4537 4.4559 7.2289 7.2291 7.8105 7.8112 9.3347 9.3384 k = 0.0784 0.0090 0.0297 ( 2697 PWs) bands (ev): -28.5336 -28.5336 -24.3806 -24.3806 -17.2803 -17.2803 -11.9815 -11.9812 -11.7273 -11.7270 -11.6807 -11.6805 -6.0910 -6.0902 -4.3399 -4.3350 -3.5296 -3.5255 -2.5686 -2.5665 0.4025 0.4056 2.5574 2.5576 3.8474 3.8490 4.4426 4.4446 7.2133 7.2135 7.8117 7.8122 9.3432 9.3466 k = 0.0686 0.0079 0.0260 ( 2697 PWs) bands (ev): -28.5347 -28.5347 -24.3826 -24.3826 -17.2758 -17.2757 -11.9781 -11.9778 -11.7235 -11.7232 -11.6798 -11.6797 -6.0948 -6.0941 -4.3325 -4.3281 -3.5297 -3.5261 -2.5586 -2.5567 0.3745 0.3772 2.5375 2.5378 3.8560 3.8574 4.4329 4.4347 7.1992 7.1993 7.8126 7.8130 9.3508 9.3539 k = 0.0588 0.0068 0.0223 ( 2701 PWs) bands (ev): -28.5357 -28.5357 -24.3844 -24.3844 -17.2718 -17.2718 -11.9753 -11.9751 -11.7204 -11.7202 -11.6786 -11.6785 -6.0981 -6.0975 -4.3259 -4.3221 -3.5298 -3.5267 -2.5496 -2.5479 0.3498 0.3522 2.5202 2.5204 3.8636 3.8648 4.4246 4.4260 7.1867 7.1868 7.8134 7.8137 9.3575 9.3602 k = 0.0490 0.0056 0.0185 ( 2706 PWs) bands (ev): -28.5365 -28.5365 -24.3859 -24.3859 -17.2685 -17.2684 -11.9731 -11.9729 -11.7180 -11.7178 -11.6772 -11.6771 -6.1009 -6.1004 -4.3202 -4.3170 -3.5300 -3.5274 -2.5417 -2.5403 0.3287 0.3307 2.5053 2.5055 3.8701 3.8711 4.4175 4.4188 7.1760 7.1760 7.8140 7.8143 9.3632 9.3655 k = 0.0392 0.0045 0.0148 ( 2708 PWs) bands (ev): -28.5372 -28.5372 -24.3871 -24.3871 -17.2657 -17.2656 -11.9713 -11.9711 -11.7163 -11.7161 -11.6756 -11.6756 -6.1031 -6.1027 -4.3155 -4.3129 -3.5302 -3.5281 -2.5350 -2.5339 0.3113 0.3129 2.4930 2.4932 3.8755 3.8763 4.4118 4.4128 7.1671 7.1671 7.8145 7.8147 9.3680 9.3699 k = 0.0294 0.0034 0.0111 ( 2716 PWs) bands (ev): -28.5377 -28.5377 -24.3881 -24.3881 -17.2635 -17.2635 -11.9700 -11.9699 -11.7151 -11.7150 -11.6742 -11.6742 -6.1049 -6.1046 -4.3116 -4.3097 -3.5304 -3.5287 -2.5297 -2.5289 0.2977 0.2989 2.4834 2.4836 3.8797 3.8803 4.4074 4.4081 7.1601 7.1601 7.8149 7.8150 9.3718 9.3732 k = 0.0196 0.0023 0.0074 ( 2720 PWs) bands (ev): -28.5381 -28.5381 -24.3888 -24.3888 -17.2620 -17.2619 -11.9691 -11.9690 -11.7143 -11.7143 -11.6731 -11.6731 -6.1061 -6.1059 -4.3088 -4.3075 -3.5304 -3.5293 -2.5259 -2.5253 0.2879 0.2887 2.4766 2.4766 3.8828 3.8832 4.4043 4.4048 7.1551 7.1551 7.8151 7.8152 9.3746 9.3755 k = 0.0098 0.0011 0.0037 ( 2721 PWs) bands (ev): -28.5384 -28.5384 -24.3892 -24.3892 -17.2610 -17.2610 -11.9685 -11.9685 -11.7139 -11.7139 -11.6724 -11.6724 -6.1068 -6.1067 -4.3069 -4.3063 -3.5303 -3.5298 -2.5234 -2.5231 0.2821 0.2825 2.4724 2.4725 3.8846 3.8848 4.4025 4.4027 7.1520 7.1520 7.8153 7.8153 9.3764 9.3768 k = 0.0000 0.0000 0.0000 ( 2717 PWs) bands (ev): -28.5384 -28.5384 -24.3893 -24.3893 -17.2607 -17.2607 -11.9683 -11.9683 -11.7137 -11.7137 -11.6721 -11.6721 -6.1070 -6.1070 -4.3061 -4.3061 -3.5301 -3.5301 -2.5225 -2.5225 0.2803 0.2803 2.4711 2.4711 3.8853 3.8853 4.4020 4.4020 7.1510 7.1510 7.8154 7.8154 9.3771 9.3771 Writing output data file KNO2.save init_run : 3.85s CPU 12.04s WALL ( 1 calls) electrons : 361.26s CPU 367.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 2.10s WALL ( 1 calls) Called by electrons: c_bands : 361.23s CPU 367.08s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.22s CPU 0.63s WALL ( 1 calls) newd : 0.35s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 426 calls) cegterg : 332.21s CPU 335.19s WALL ( 848 calls) Called by sum_band: Called by *egterg: h_psi : 163.10s CPU 169.93s WALL ( 14533 calls) s_psi : 9.04s CPU 10.21s WALL ( 14533 calls) g_psi : 0.28s CPU 0.40s WALL ( 13259 calls) cdiaghg : 109.31s CPU 107.43s WALL ( 13685 calls) cegterg:over : 30.66s CPU 26.98s WALL ( 13259 calls) cegterg:upda : 2.43s CPU 5.33s WALL ( 13259 calls) cegterg:last : 3.13s CPU 4.06s WALL ( 2555 calls) Called by h_psi: h_psi:vloc : 140.46s CPU 147.37s WALL ( 14533 calls) h_psi:vnl : 22.54s CPU 22.22s WALL ( 14533 calls) add_vuspsi : 3.92s CPU 7.79s WALL ( 14533 calls) General routines calbec : 18.59s CPU 14.36s WALL ( 14533 calls) fft : 0.61s CPU 1.55s WALL ( 19 calls) ffts : 0.02s CPU 0.57s WALL ( 4 calls) fftw : 136.02s CPU 140.62s WALL ( 1030324 calls) interpolate : 0.05s CPU 0.61s WALL ( 4 calls) davcio : 0.03s CPU 1.15s WALL ( 852 calls) Parallel routines fft_scatter : 95.48s CPU 98.97s WALL ( 1030347 calls) PWSCF : 6m54.42s CPU 8m13.28s WALL This run was terminated on: 20: 2:17 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=