Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:49:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgH4xClOx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 58 17 2734 1303 203 Max 97 59 18 2736 1314 205 Sum 3469 2117 623 98443 47059 7355 bravais-lattice index = 14 lattice parameter (alat) = 10.6774 a.u. unit-cell volume = 768.3095 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 4 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.677362 celldm(2)= 1.000000 celldm(3)= 0.645780 celldm(4)= 0.101837 celldm(5)= 0.101837 celldm(6)= -0.144912 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.144912 0.989445 0.000000 ) a(3) = ( 0.065764 0.076097 0.637900 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.146457 -0.120566 ) b(2) = ( 0.000000 1.010668 -0.120566 ) b(3) = ( 0.000000 0.000000 1.567643 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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. # 4 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Mg 10.00 24.30500 Mg( 1.00) Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0114925 0.0132983 -0.0015864), wk = 0.0029586 k( 3) = ( 0.0229850 0.0265965 -0.0031728), wk = 0.0029586 k( 4) = ( 0.0344775 0.0398948 -0.0047592), wk = 0.0029586 k( 5) = ( 0.0459700 0.0531931 -0.0063456), wk = 0.0029586 k( 6) = ( 0.0574625 0.0664913 -0.0079320), wk = 0.0029586 k( 7) = ( 0.0689550 0.0797896 -0.0095184), wk = 0.0029586 k( 8) = ( 0.0804475 0.0930878 -0.0111048), wk = 0.0029586 k( 9) = ( 0.0919400 0.1063861 -0.0126912), wk = 0.0029586 k( 10) = ( 0.1034325 0.1196844 -0.0142776), wk = 0.0029586 k( 11) = ( 0.1149250 0.1329826 -0.0158640), wk = 0.0029586 k( 12) = ( 0.1264175 0.1462809 -0.0174504), wk = 0.0029586 k( 13) = ( 0.1379100 0.1595792 -0.0190368), wk = 0.0029586 k( 14) = ( 0.1494025 0.1728774 -0.0206232), wk = 0.0029586 k( 15) = ( 0.1608950 0.1861757 -0.0222096), wk = 0.0029586 k( 16) = ( 0.1723875 0.1994739 -0.0237959), wk = 0.0029586 k( 17) = ( 0.1838800 0.2127722 -0.0253824), wk = 0.0029586 k( 18) = ( 0.1953725 0.2260705 -0.0269687), wk = 0.0029586 k( 19) = ( 0.2068650 0.2393687 -0.0285551), wk = 0.0029586 k( 20) = ( 0.2183575 0.2526670 -0.0301415), wk = 0.0029586 k( 21) = ( 0.2298500 0.2659653 -0.0317279), wk = 0.0029586 k( 22) = ( 0.2413425 0.2792635 -0.0333143), wk = 0.0029586 k( 23) = ( 0.2528350 0.2925618 -0.0349007), wk = 0.0029586 k( 24) = ( 0.2643275 0.3058600 -0.0364871), wk = 0.0029586 k( 25) = ( 0.2758200 0.3191583 -0.0380735), wk = 0.0029586 k( 26) = ( 0.2873125 0.3324566 -0.0396599), wk = 0.0029586 k( 27) = ( 0.2988050 0.3457548 -0.0412463), wk = 0.0029586 k( 28) = ( 0.3102975 0.3590531 -0.0428327), wk = 0.0029586 k( 29) = ( 0.3217900 0.3723514 -0.0444191), wk = 0.0029586 k( 30) = ( 0.3332825 0.3856496 -0.0460055), wk = 0.0029586 k( 31) = ( 0.3447750 0.3989479 -0.0475919), wk = 0.0029586 k( 32) = ( 0.3562675 0.4122462 -0.0491783), wk = 0.0029586 k( 33) = ( 0.3677600 0.4255444 -0.0507647), wk = 0.0029586 k( 34) = ( 0.3792525 0.4388427 -0.0523511), wk = 0.0029586 k( 35) = ( 0.3907450 0.4521409 -0.0539375), wk = 0.0029586 k( 36) = ( 0.4022375 0.4654392 -0.0555239), wk = 0.0029586 k( 37) = ( 0.4137300 0.4787375 -0.0571103), wk = 0.0029586 k( 38) = ( 0.4252225 0.4920357 -0.0586967), wk = 0.0029586 k( 39) = ( 0.4367150 0.5053340 -0.0602831), wk = 0.0029586 k( 40) = ( 0.4367150 0.5053340 -0.0602831), wk = 0.0029586 k( 41) = ( 0.4385343 0.5074392 -0.0426358), wk = 0.0029586 k( 42) = ( 0.4403536 0.5095444 -0.0249885), wk = 0.0029586 k( 43) = ( 0.4421730 0.5116496 -0.0073412), wk = 0.0029586 k( 44) = ( 0.4439923 0.5137548 0.0103060), wk = 0.0029586 k( 45) = ( 0.4458117 0.5158600 0.0279533), wk = 0.0029586 k( 46) = ( 0.4476310 0.5179652 0.0456006), wk = 0.0029586 k( 47) = ( 0.4494503 0.5200704 0.0632479), wk = 0.0029586 k( 48) = ( 0.4512697 0.5221756 0.0808952), wk = 0.0029586 k( 49) = ( 0.4530890 0.5242809 0.0985425), wk = 0.0029586 k( 50) = ( 0.4549084 0.5263861 0.1161897), wk = 0.0029586 k( 51) = ( 0.4567277 0.5284913 0.1338370), wk = 0.0029586 k( 52) = ( 0.4585471 0.5305965 0.1514843), wk = 0.0029586 k( 53) = ( 0.4603664 0.5327017 0.1691316), wk = 0.0029586 k( 54) = ( 0.4621857 0.5348069 0.1867789), wk = 0.0029586 k( 55) = ( 0.4640051 0.5369121 0.2044261), wk = 0.0029586 k( 56) = ( 0.4658244 0.5390173 0.2220734), wk = 0.0029586 k( 57) = ( 0.4676438 0.5411225 0.2397207), wk = 0.0029586 k( 58) = ( 0.4694631 0.5432277 0.2573680), wk = 0.0029586 k( 59) = ( 0.4712825 0.5453329 0.2750153), wk = 0.0029586 k( 60) = ( 0.4731018 0.5474381 0.2926626), wk = 0.0029586 k( 61) = ( 0.4749211 0.5495433 0.3103098), wk = 0.0029586 k( 62) = ( 0.4767405 0.5516485 0.3279571), wk = 0.0029586 k( 63) = ( 0.4785598 0.5537538 0.3456044), wk = 0.0029586 k( 64) = ( 0.4803792 0.5558590 0.3632517), wk = 0.0029586 k( 65) = ( 0.4821985 0.5579642 0.3808990), wk = 0.0029586 k( 66) = ( 0.4840179 0.5600694 0.3985463), wk = 0.0029586 k( 67) = ( 0.4858372 0.5621746 0.4161935), wk = 0.0029586 k( 68) = ( 0.4876565 0.5642798 0.4338408), wk = 0.0029586 k( 69) = ( 0.4894759 0.5663850 0.4514881), wk = 0.0029586 k( 70) = ( 0.4912952 0.5684902 0.4691354), wk = 0.0029586 k( 71) = ( 0.4931146 0.5705954 0.4867827), wk = 0.0029586 k( 72) = ( 0.4949339 0.5727006 0.5044299), wk = 0.0029586 k( 73) = ( 0.4967532 0.5748058 0.5220772), wk = 0.0029586 k( 74) = ( 0.4985726 0.5769110 0.5397245), wk = 0.0029586 k( 75) = ( 0.5003919 0.5790162 0.5573718), wk = 0.0029586 k( 76) = ( 0.5022113 0.5811214 0.5750191), wk = 0.0029586 k( 77) = ( 0.5040306 0.5832266 0.5926664), wk = 0.0029586 k( 78) = ( 0.5058499 0.5853319 0.6103136), wk = 0.0029586 k( 79) = ( 0.5076693 0.5874371 0.6279609), wk = 0.0029586 k( 80) = ( 0.5094886 0.5895423 0.6456082), wk = 0.0029586 k( 81) = ( 0.5113080 0.5916475 0.6632555), wk = 0.0029586 k( 82) = ( 0.5113080 0.5916475 0.6632555), wk = 0.0029586 k( 83) = ( 0.5013622 0.5801390 0.6712932), wk = 0.0029586 k( 84) = ( 0.4914165 0.5686305 0.6793310), wk = 0.0029586 k( 85) = ( 0.4814708 0.5571221 0.6873687), wk = 0.0029586 k( 86) = ( 0.4715250 0.5456136 0.6954065), wk = 0.0029586 k( 87) = ( 0.4615793 0.5341052 0.7034442), wk = 0.0029586 k( 88) = ( 0.4516336 0.5225967 0.7114820), wk = 0.0029586 k( 89) = ( 0.4416878 0.5110882 0.7195197), wk = 0.0029586 k( 90) = ( 0.4317421 0.4995798 0.7275574), wk = 0.0029586 k( 91) = ( 0.4217964 0.4880713 0.7355952), wk = 0.0029586 k( 92) = ( 0.4118506 0.4765628 0.7436329), wk = 0.0029586 k( 93) = ( 0.4019049 0.4650544 0.7516707), wk = 0.0029586 k( 94) = ( 0.3919591 0.4535459 0.7597084), wk = 0.0029586 k( 95) = ( 0.3820134 0.4420374 0.7677462), wk = 0.0029586 k( 96) = ( 0.3720677 0.4305290 0.7757839), wk = 0.0029586 k( 97) = ( 0.3621219 0.4190205 0.7838217), wk = 0.0029586 k( 98) = ( 0.3621219 0.4190205 0.7838217), wk = 0.0029586 k( 99) = ( 0.3504406 0.4055037 0.7838216), wk = 0.0029586 k( 100) = ( 0.3387592 0.3919869 0.7838216), wk = 0.0029586 k( 101) = ( 0.3270779 0.3784701 0.7838217), wk = 0.0029586 k( 102) = ( 0.3153965 0.3649534 0.7838216), wk = 0.0029586 k( 103) = ( 0.3037152 0.3514366 0.7838216), wk = 0.0029586 k( 104) = ( 0.2920338 0.3379198 0.7838217), wk = 0.0029586 k( 105) = ( 0.2803525 0.3244030 0.7838216), wk = 0.0029586 k( 106) = ( 0.2686711 0.3108862 0.7838216), wk = 0.0029586 k( 107) = ( 0.2569898 0.2973694 0.7838217), wk = 0.0029586 k( 108) = ( 0.2453084 0.2838526 0.7838216), wk = 0.0029586 k( 109) = ( 0.2336271 0.2703358 0.7838216), wk = 0.0029586 k( 110) = ( 0.2219457 0.2568190 0.7838217), wk = 0.0029586 k( 111) = ( 0.2102643 0.2433022 0.7838216), wk = 0.0029586 k( 112) = ( 0.1985830 0.2297854 0.7838216), wk = 0.0029586 k( 113) = ( 0.1869017 0.2162687 0.7838217), wk = 0.0029586 k( 114) = ( 0.1752203 0.2027519 0.7838216), wk = 0.0029586 k( 115) = ( 0.1635389 0.1892351 0.7838216), wk = 0.0029586 k( 116) = ( 0.1518576 0.1757183 0.7838217), wk = 0.0029586 k( 117) = ( 0.1401762 0.1622015 0.7838216), wk = 0.0029586 k( 118) = ( 0.1284949 0.1486847 0.7838216), wk = 0.0029586 k( 119) = ( 0.1168135 0.1351679 0.7838217), wk = 0.0029586 k( 120) = ( 0.1051322 0.1216511 0.7838216), wk = 0.0029586 k( 121) = ( 0.0934508 0.1081343 0.7838216), wk = 0.0029586 k( 122) = ( 0.0817695 0.0946175 0.7838217), wk = 0.0029586 k( 123) = ( 0.0700881 0.0811007 0.7838216), wk = 0.0029586 k( 124) = ( 0.0584068 0.0675839 0.7838216), wk = 0.0029586 k( 125) = ( 0.0467254 0.0540672 0.7838217), wk = 0.0029586 k( 126) = ( 0.0350441 0.0405504 0.7838216), wk = 0.0029586 k( 127) = ( 0.0233627 0.0270336 0.7838216), wk = 0.0029586 k( 128) = ( 0.0116814 0.0135168 0.7838217), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.7838216), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.7838216), wk = 0.0029586 k( 131) = ( 0.0135135 -0.0116785 0.7838216), wk = 0.0029586 k( 132) = ( 0.0270270 -0.0233570 0.7838216), wk = 0.0029586 k( 133) = ( 0.0405405 -0.0350356 0.7838216), wk = 0.0029586 k( 134) = ( 0.0540540 -0.0467141 0.7838216), wk = 0.0029586 k( 135) = ( 0.0675676 -0.0583926 0.7838216), wk = 0.0029586 k( 136) = ( 0.0810811 -0.0700711 0.7838216), wk = 0.0029586 k( 137) = ( 0.0945946 -0.0817496 0.7838216), wk = 0.0029586 k( 138) = ( 0.1081081 -0.0934282 0.7838216), wk = 0.0029586 k( 139) = ( 0.1216216 -0.1051067 0.7838216), wk = 0.0029586 k( 140) = ( 0.1351351 -0.1167852 0.7838216), wk = 0.0029586 k( 141) = ( 0.1486486 -0.1284637 0.7838216), wk = 0.0029586 k( 142) = ( 0.1621622 -0.1401422 0.7838216), wk = 0.0029586 k( 143) = ( 0.1756757 -0.1518208 0.7838216), wk = 0.0029586 k( 144) = ( 0.1891892 -0.1634993 0.7838216), wk = 0.0029586 k( 145) = ( 0.2027027 -0.1751778 0.7838216), wk = 0.0029586 k( 146) = ( 0.2162162 -0.1868563 0.7838216), wk = 0.0029586 k( 147) = ( 0.2297297 -0.1985349 0.7838216), wk = 0.0029586 k( 148) = ( 0.2432432 -0.2102134 0.7838216), wk = 0.0029586 k( 149) = ( 0.2567568 -0.2218919 0.7838216), wk = 0.0029586 k( 150) = ( 0.2702703 -0.2335704 0.7838216), wk = 0.0029586 k( 151) = ( 0.2837838 -0.2452489 0.7838216), wk = 0.0029586 k( 152) = ( 0.2972973 -0.2569275 0.7838216), wk = 0.0029586 k( 153) = ( 0.3108108 -0.2686060 0.7838216), wk = 0.0029586 k( 154) = ( 0.3243243 -0.2802845 0.7838216), wk = 0.0029586 k( 155) = ( 0.3378378 -0.2919630 0.7838216), wk = 0.0029586 k( 156) = ( 0.3513514 -0.3036415 0.7838216), wk = 0.0029586 k( 157) = ( 0.3648649 -0.3153201 0.7838216), wk = 0.0029586 k( 158) = ( 0.3783784 -0.3269986 0.7838216), wk = 0.0029586 k( 159) = ( 0.3918919 -0.3386771 0.7838216), wk = 0.0029586 k( 160) = ( 0.4054054 -0.3503556 0.7838216), wk = 0.0029586 k( 161) = ( 0.4189189 -0.3620341 0.7838216), wk = 0.0029586 k( 162) = ( 0.4324324 -0.3737127 0.7838216), wk = 0.0029586 k( 163) = ( 0.4459459 -0.3853912 0.7838216), wk = 0.0029586 k( 164) = ( 0.4594595 -0.3970697 0.7838216), wk = 0.0029586 k( 165) = ( 0.4729730 -0.4087482 0.7838216), wk = 0.0029586 k( 166) = ( 0.4864865 -0.4204267 0.7838216), wk = 0.0029586 k( 167) = ( 0.5000000 -0.4321053 0.7838216), wk = 0.0029586 k( 168) = ( 0.5000000 -0.4321053 0.7838216), wk = 0.0029586 k( 169) = ( 0.4886920 -0.4451900 0.7838217), wk = 0.0029586 k( 170) = ( 0.6378781 -0.2725631 0.6632555), wk = 0.0029586 k( 171) = ( 0.6360587 -0.2746683 0.6456082), wk = 0.0029586 k( 172) = ( 0.6342394 -0.2767735 0.6279609), wk = 0.0029586 k( 173) = ( 0.6324200 -0.2788787 0.6103136), wk = 0.0029586 k( 174) = ( 0.6306007 -0.2809839 0.5926664), wk = 0.0029586 k( 175) = ( 0.6287814 -0.2830891 0.5750191), wk = 0.0029586 k( 176) = ( 0.6269620 -0.2851943 0.5573718), wk = 0.0029586 k( 177) = ( 0.6251427 -0.2872995 0.5397245), wk = 0.0029586 k( 178) = ( 0.6233233 -0.2894047 0.5220772), wk = 0.0029586 k( 179) = ( 0.6215040 -0.2915099 0.5044299), wk = 0.0029586 k( 180) = ( 0.6196846 -0.2936151 0.4867827), wk = 0.0029586 k( 181) = ( 0.6178653 -0.2957203 0.4691354), wk = 0.0029586 k( 182) = ( 0.6160460 -0.2978255 0.4514881), wk = 0.0029586 k( 183) = ( 0.6142266 -0.2999307 0.4338408), wk = 0.0029586 k( 184) = ( 0.6124073 -0.3020359 0.4161935), wk = 0.0029586 k( 185) = ( 0.6105879 -0.3041412 0.3985463), wk = 0.0029586 k( 186) = ( 0.6087686 -0.3062464 0.3808990), wk = 0.0029586 k( 187) = ( 0.6069492 -0.3083516 0.3632517), wk = 0.0029586 k( 188) = ( 0.6051299 -0.3104568 0.3456044), wk = 0.0029586 k( 189) = ( 0.6033106 -0.3125620 0.3279571), wk = 0.0029586 k( 190) = ( 0.6014912 -0.3146672 0.3103098), wk = 0.0029586 k( 191) = ( 0.5996719 -0.3167724 0.2926626), wk = 0.0029586 k( 192) = ( 0.5978525 -0.3188776 0.2750153), wk = 0.0029586 k( 193) = ( 0.5960332 -0.3209828 0.2573680), wk = 0.0029586 k( 194) = ( 0.5942139 -0.3230880 0.2397207), wk = 0.0029586 k( 195) = ( 0.5923945 -0.3251932 0.2220734), wk = 0.0029586 k( 196) = ( 0.5905752 -0.3272984 0.2044261), wk = 0.0029586 k( 197) = ( 0.5887558 -0.3294036 0.1867789), wk = 0.0029586 k( 198) = ( 0.5869365 -0.3315088 0.1691316), wk = 0.0029586 k( 199) = ( 0.5851171 -0.3336141 0.1514843), wk = 0.0029586 k( 200) = ( 0.5832978 -0.3357193 0.1338370), wk = 0.0029586 k( 201) = ( 0.5814785 -0.3378245 0.1161897), wk = 0.0029586 k( 202) = ( 0.5796591 -0.3399297 0.0985425), wk = 0.0029586 k( 203) = ( 0.5778398 -0.3420349 0.0808952), wk = 0.0029586 k( 204) = ( 0.5760204 -0.3441401 0.0632479), wk = 0.0029586 k( 205) = ( 0.5742011 -0.3462453 0.0456006), wk = 0.0029586 k( 206) = ( 0.5723818 -0.3483505 0.0279533), wk = 0.0029586 k( 207) = ( 0.5705624 -0.3504557 0.0103060), wk = 0.0029586 k( 208) = ( 0.5687431 -0.3525609 -0.0073412), wk = 0.0029586 k( 209) = ( 0.5669237 -0.3546661 -0.0249885), wk = 0.0029586 k( 210) = ( 0.5651044 -0.3567713 -0.0426358), wk = 0.0029586 k( 211) = ( 0.5632850 -0.3588765 -0.0602831), wk = 0.0029586 k( 212) = ( 0.5632850 -0.3588765 -0.0602831), wk = 0.0029586 k( 213) = ( 0.5542443 -0.3693378 -0.0516712), wk = 0.0029586 k( 214) = ( 0.5452036 -0.3797990 -0.0430593), wk = 0.0029586 k( 215) = ( 0.5361629 -0.3902603 -0.0344475), wk = 0.0029586 k( 216) = ( 0.5271222 -0.4007215 -0.0258356), wk = 0.0029586 k( 217) = ( 0.5180814 -0.4111828 -0.0172237), wk = 0.0029586 k( 218) = ( 0.5090407 -0.4216440 -0.0086119), wk = 0.0029586 k( 219) = ( 0.5000000 -0.4321053 -0.0000000), wk = 0.0029586 k( 220) = ( 0.5000000 -0.4321053 -0.0000000), wk = 0.0029586 k( 221) = ( 0.4864865 -0.4204267 -0.0000000), wk = 0.0029586 k( 222) = ( 0.4729730 -0.4087482 -0.0000000), wk = 0.0029586 k( 223) = ( 0.4594595 -0.3970697 -0.0000000), wk = 0.0029586 k( 224) = ( 0.4459459 -0.3853912 -0.0000000), wk = 0.0029586 k( 225) = ( 0.4324324 -0.3737127 -0.0000000), wk = 0.0029586 k( 226) = ( 0.4189189 -0.3620341 -0.0000000), wk = 0.0029586 k( 227) = ( 0.4054054 -0.3503556 -0.0000000), wk = 0.0029586 k( 228) = ( 0.3918919 -0.3386771 -0.0000000), wk = 0.0029586 k( 229) = ( 0.3783784 -0.3269986 -0.0000000), wk = 0.0029586 k( 230) = ( 0.3648649 -0.3153201 -0.0000000), wk = 0.0029586 k( 231) = ( 0.3513514 -0.3036415 -0.0000000), wk = 0.0029586 k( 232) = ( 0.3378378 -0.2919630 -0.0000000), wk = 0.0029586 k( 233) = ( 0.3243243 -0.2802845 -0.0000000), wk = 0.0029586 k( 234) = ( 0.3108108 -0.2686060 -0.0000000), wk = 0.0029586 k( 235) = ( 0.2972973 -0.2569275 -0.0000000), wk = 0.0029586 k( 236) = ( 0.2837838 -0.2452489 -0.0000000), wk = 0.0029586 k( 237) = ( 0.2702703 -0.2335704 -0.0000000), wk = 0.0029586 k( 238) = ( 0.2567568 -0.2218919 -0.0000000), wk = 0.0029586 k( 239) = ( 0.2432432 -0.2102134 -0.0000000), wk = 0.0029586 k( 240) = ( 0.2297297 -0.1985349 -0.0000000), wk = 0.0029586 k( 241) = ( 0.2162162 -0.1868563 -0.0000000), wk = 0.0029586 k( 242) = ( 0.2027027 -0.1751778 -0.0000000), wk = 0.0029586 k( 243) = ( 0.1891892 -0.1634993 -0.0000000), wk = 0.0029586 k( 244) = ( 0.1756757 -0.1518208 -0.0000000), wk = 0.0029586 k( 245) = ( 0.1621622 -0.1401422 -0.0000000), wk = 0.0029586 k( 246) = ( 0.1486486 -0.1284637 -0.0000000), wk = 0.0029586 k( 247) = ( 0.1351351 -0.1167852 -0.0000000), wk = 0.0029586 k( 248) = ( 0.1216216 -0.1051067 -0.0000000), wk = 0.0029586 k( 249) = ( 0.1081081 -0.0934282 -0.0000000), wk = 0.0029586 k( 250) = ( 0.0945946 -0.0817496 -0.0000000), wk = 0.0029586 k( 251) = ( 0.0810811 -0.0700711 -0.0000000), wk = 0.0029586 k( 252) = ( 0.0675676 -0.0583926 -0.0000000), wk = 0.0029586 k( 253) = ( 0.0540540 -0.0467141 -0.0000000), wk = 0.0029586 k( 254) = ( 0.0405405 -0.0350356 -0.0000000), wk = 0.0029586 k( 255) = ( 0.0270270 -0.0233570 -0.0000000), wk = 0.0029586 k( 256) = ( 0.0135135 -0.0116785 -0.0000000), wk = 0.0029586 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 258) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 259) = ( 0.0172414 0.0025251 -0.0020787), wk = 0.0029586 k( 260) = ( 0.0344828 0.0050503 -0.0041575), wk = 0.0029586 k( 261) = ( 0.0517241 0.0075754 -0.0062362), wk = 0.0029586 k( 262) = ( 0.0689655 0.0101005 -0.0083149), wk = 0.0029586 k( 263) = ( 0.0862069 0.0126256 -0.0103936), wk = 0.0029586 k( 264) = ( 0.1034483 0.0151508 -0.0124724), wk = 0.0029586 k( 265) = ( 0.1206897 0.0176759 -0.0145511), wk = 0.0029586 k( 266) = ( 0.1379310 0.0202010 -0.0166298), wk = 0.0029586 k( 267) = ( 0.1551724 0.0227262 -0.0187085), wk = 0.0029586 k( 268) = ( 0.1724138 0.0252513 -0.0207873), wk = 0.0029586 k( 269) = ( 0.1896552 0.0277764 -0.0228660), wk = 0.0029586 k( 270) = ( 0.2068966 0.0303015 -0.0249447), wk = 0.0029586 k( 271) = ( 0.2241379 0.0328267 -0.0270235), wk = 0.0029586 k( 272) = ( 0.2413793 0.0353518 -0.0291022), wk = 0.0029586 k( 273) = ( 0.2586207 0.0378769 -0.0311809), wk = 0.0029586 k( 274) = ( 0.2758621 0.0404021 -0.0332596), wk = 0.0029586 k( 275) = ( 0.2931034 0.0429272 -0.0353384), wk = 0.0029586 k( 276) = ( 0.3103448 0.0454523 -0.0374171), wk = 0.0029586 k( 277) = ( 0.3275862 0.0479774 -0.0394958), wk = 0.0029586 k( 278) = ( 0.3448276 0.0505026 -0.0415745), wk = 0.0029586 k( 279) = ( 0.3620690 0.0530277 -0.0436533), wk = 0.0029586 k( 280) = ( 0.3793103 0.0555528 -0.0457320), wk = 0.0029586 k( 281) = ( 0.3965517 0.0580780 -0.0478107), wk = 0.0029586 k( 282) = ( 0.4137931 0.0606031 -0.0498894), wk = 0.0029586 k( 283) = ( 0.4310345 0.0631282 -0.0519682), wk = 0.0029586 k( 284) = ( 0.4482759 0.0656533 -0.0540469), wk = 0.0029586 k( 285) = ( 0.4655172 0.0681785 -0.0561256), wk = 0.0029586 k( 286) = ( 0.4827586 0.0707036 -0.0582044), wk = 0.0029586 k( 287) = ( 0.5000000 0.0732287 -0.0602831), wk = 0.0029586 k( 288) = ( 0.5000000 0.0732287 0.7235386), wk = 0.0029586 k( 289) = ( 0.4900000 0.0717642 0.7090678), wk = 0.0029586 k( 290) = ( 0.4800000 0.0702996 0.6945970), wk = 0.0029586 k( 291) = ( 0.4700000 0.0688350 0.6801263), wk = 0.0029586 k( 292) = ( 0.4600000 0.0673704 0.6656555), wk = 0.0029586 k( 293) = ( 0.4500000 0.0659059 0.6511847), wk = 0.0029586 k( 294) = ( 0.4400000 0.0644413 0.6367139), wk = 0.0029586 k( 295) = ( 0.4300000 0.0629767 0.6222432), wk = 0.0029586 k( 296) = ( 0.4200000 0.0615121 0.6077724), wk = 0.0029586 k( 297) = ( 0.4100000 0.0600476 0.5933016), wk = 0.0029586 k( 298) = ( 0.4000000 0.0585830 0.5788309), wk = 0.0029586 k( 299) = ( 0.3900000 0.0571184 0.5643601), wk = 0.0029586 k( 300) = ( 0.3800000 0.0556538 0.5498893), wk = 0.0029586 k( 301) = ( 0.3700000 0.0541893 0.5354185), wk = 0.0029586 k( 302) = ( 0.3600000 0.0527247 0.5209478), wk = 0.0029586 k( 303) = ( 0.3500000 0.0512601 0.5064770), wk = 0.0029586 k( 304) = ( 0.3400000 0.0497955 0.4920062), wk = 0.0029586 k( 305) = ( 0.3300000 0.0483310 0.4775355), wk = 0.0029586 k( 306) = ( 0.3200000 0.0468664 0.4630647), wk = 0.0029586 k( 307) = ( 0.3100000 0.0454018 0.4485939), wk = 0.0029586 k( 308) = ( 0.3000000 0.0439372 0.4341231), wk = 0.0029586 k( 309) = ( 0.2900000 0.0424727 0.4196524), wk = 0.0029586 k( 310) = ( 0.2800000 0.0410081 0.4051816), wk = 0.0029586 k( 311) = ( 0.2700000 0.0395435 0.3907108), wk = 0.0029586 k( 312) = ( 0.2600000 0.0380789 0.3762401), wk = 0.0029586 k( 313) = ( 0.2500000 0.0366144 0.3617693), wk = 0.0029586 k( 314) = ( 0.2400000 0.0351498 0.3472985), wk = 0.0029586 k( 315) = ( 0.2300000 0.0336852 0.3328277), wk = 0.0029586 k( 316) = ( 0.2200000 0.0322206 0.3183570), wk = 0.0029586 k( 317) = ( 0.2100000 0.0307561 0.3038862), wk = 0.0029586 k( 318) = ( 0.2000000 0.0292915 0.2894154), wk = 0.0029586 k( 319) = ( 0.1900000 0.0278269 0.2749447), wk = 0.0029586 k( 320) = ( 0.1800000 0.0263623 0.2604739), wk = 0.0029586 k( 321) = ( 0.1700000 0.0248978 0.2460031), wk = 0.0029586 k( 322) = ( 0.1600000 0.0234332 0.2315323), wk = 0.0029586 k( 323) = ( 0.1500000 0.0219686 0.2170616), wk = 0.0029586 k( 324) = ( 0.1400000 0.0205040 0.2025908), wk = 0.0029586 k( 325) = ( 0.1300000 0.0190395 0.1881200), wk = 0.0029586 k( 326) = ( 0.1200000 0.0175749 0.1736493), wk = 0.0029586 k( 327) = ( 0.1100000 0.0161103 0.1591785), wk = 0.0029586 k( 328) = ( 0.1000000 0.0146457 0.1447077), wk = 0.0029586 k( 329) = ( 0.0900000 0.0131812 0.1302369), wk = 0.0029586 k( 330) = ( 0.0800000 0.0117166 0.1157662), wk = 0.0029586 k( 331) = ( 0.0700000 0.0102520 0.1012954), wk = 0.0029586 k( 332) = ( 0.0600000 0.0087874 0.0868246), wk = 0.0029586 k( 333) = ( 0.0500000 0.0073229 0.0723539), wk = 0.0029586 k( 334) = ( 0.0400000 0.0058583 0.0578831), wk = 0.0029586 k( 335) = ( 0.0300000 0.0043937 0.0434123), wk = 0.0029586 k( 336) = ( 0.0200000 0.0029291 0.0289415), wk = 0.0029586 k( 337) = ( 0.0100000 0.0014646 0.0144708), wk = 0.0029586 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0114925 0.0114925 0.0007558), wk = 0.0029586 k( 3) = ( 0.0229850 0.0229850 0.0015116), wk = 0.0029586 k( 4) = ( 0.0344775 0.0344775 0.0022674), wk = 0.0029586 k( 5) = ( 0.0459700 0.0459700 0.0030232), wk = 0.0029586 k( 6) = ( 0.0574625 0.0574625 0.0037790), wk = 0.0029586 k( 7) = ( 0.0689550 0.0689550 0.0045348), wk = 0.0029586 k( 8) = ( 0.0804475 0.0804475 0.0052906), wk = 0.0029586 k( 9) = ( 0.0919400 0.0919400 0.0060464), wk = 0.0029586 k( 10) = ( 0.1034325 0.1034325 0.0068021), wk = 0.0029586 k( 11) = ( 0.1149250 0.1149250 0.0075579), wk = 0.0029586 k( 12) = ( 0.1264175 0.1264175 0.0083137), wk = 0.0029586 k( 13) = ( 0.1379100 0.1379100 0.0090695), wk = 0.0029586 k( 14) = ( 0.1494025 0.1494025 0.0098253), wk = 0.0029586 k( 15) = ( 0.1608950 0.1608950 0.0105811), wk = 0.0029586 k( 16) = ( 0.1723875 0.1723875 0.0113369), wk = 0.0029586 k( 17) = ( 0.1838800 0.1838800 0.0120927), wk = 0.0029586 k( 18) = ( 0.1953725 0.1953725 0.0128485), wk = 0.0029586 k( 19) = ( 0.2068650 0.2068650 0.0136043), wk = 0.0029586 k( 20) = ( 0.2183575 0.2183575 0.0143601), wk = 0.0029586 k( 21) = ( 0.2298500 0.2298500 0.0151159), wk = 0.0029586 k( 22) = ( 0.2413425 0.2413425 0.0158717), wk = 0.0029586 k( 23) = ( 0.2528350 0.2528350 0.0166275), wk = 0.0029586 k( 24) = ( 0.2643275 0.2643275 0.0173833), wk = 0.0029586 k( 25) = ( 0.2758200 0.2758200 0.0181391), wk = 0.0029586 k( 26) = ( 0.2873125 0.2873125 0.0188949), wk = 0.0029586 k( 27) = ( 0.2988050 0.2988050 0.0196507), wk = 0.0029586 k( 28) = ( 0.3102975 0.3102975 0.0204064), wk = 0.0029586 k( 29) = ( 0.3217900 0.3217900 0.0211623), wk = 0.0029586 k( 30) = ( 0.3332825 0.3332825 0.0219180), wk = 0.0029586 k( 31) = ( 0.3447750 0.3447750 0.0226738), wk = 0.0029586 k( 32) = ( 0.3562675 0.3562675 0.0234296), wk = 0.0029586 k( 33) = ( 0.3677600 0.3677600 0.0241854), wk = 0.0029586 k( 34) = ( 0.3792525 0.3792525 0.0249412), wk = 0.0029586 k( 35) = ( 0.3907450 0.3907450 0.0256970), wk = 0.0029586 k( 36) = ( 0.4022375 0.4022375 0.0264528), wk = 0.0029586 k( 37) = ( 0.4137300 0.4137300 0.0272086), wk = 0.0029586 k( 38) = ( 0.4252225 0.4252225 0.0279644), wk = 0.0029586 k( 39) = ( 0.4367150 0.4367150 0.0287202), wk = 0.0029586 k( 40) = ( 0.4367150 0.4367150 0.0287202), wk = 0.0029586 k( 41) = ( 0.4385343 0.4385343 0.0402572), wk = 0.0029586 k( 42) = ( 0.4403536 0.4403536 0.0517943), wk = 0.0029586 k( 43) = ( 0.4421730 0.4421730 0.0633313), wk = 0.0029586 k( 44) = ( 0.4439923 0.4439923 0.0748684), wk = 0.0029586 k( 45) = ( 0.4458117 0.4458117 0.0864055), wk = 0.0029586 k( 46) = ( 0.4476310 0.4476310 0.0979425), wk = 0.0029586 k( 47) = ( 0.4494503 0.4494504 0.1094796), wk = 0.0029586 k( 48) = ( 0.4512697 0.4512697 0.1210166), wk = 0.0029586 k( 49) = ( 0.4530890 0.4530890 0.1325537), wk = 0.0029586 k( 50) = ( 0.4549084 0.4549084 0.1440907), wk = 0.0029586 k( 51) = ( 0.4567277 0.4567277 0.1556278), wk = 0.0029586 k( 52) = ( 0.4585471 0.4585471 0.1671648), wk = 0.0029586 k( 53) = ( 0.4603664 0.4603664 0.1787019), wk = 0.0029586 k( 54) = ( 0.4621857 0.4621857 0.1902389), wk = 0.0029586 k( 55) = ( 0.4640051 0.4640051 0.2017760), wk = 0.0029586 k( 56) = ( 0.4658244 0.4658244 0.2133130), wk = 0.0029586 k( 57) = ( 0.4676438 0.4676438 0.2248501), wk = 0.0029586 k( 58) = ( 0.4694631 0.4694631 0.2363871), wk = 0.0029586 k( 59) = ( 0.4712825 0.4712825 0.2479242), wk = 0.0029586 k( 60) = ( 0.4731018 0.4731018 0.2594613), wk = 0.0029586 k( 61) = ( 0.4749211 0.4749211 0.2709983), wk = 0.0029586 k( 62) = ( 0.4767405 0.4767405 0.2825354), wk = 0.0029586 k( 63) = ( 0.4785598 0.4785598 0.2940724), wk = 0.0029586 k( 64) = ( 0.4803792 0.4803792 0.3056095), wk = 0.0029586 k( 65) = ( 0.4821985 0.4821985 0.3171465), wk = 0.0029586 k( 66) = ( 0.4840179 0.4840179 0.3286836), wk = 0.0029586 k( 67) = ( 0.4858372 0.4858372 0.3402206), wk = 0.0029586 k( 68) = ( 0.4876565 0.4876565 0.3517577), wk = 0.0029586 k( 69) = ( 0.4894759 0.4894759 0.3632947), wk = 0.0029586 k( 70) = ( 0.4912952 0.4912952 0.3748318), wk = 0.0029586 k( 71) = ( 0.4931146 0.4931146 0.3863688), wk = 0.0029586 k( 72) = ( 0.4949339 0.4949339 0.3979059), wk = 0.0029586 k( 73) = ( 0.4967532 0.4967532 0.4094429), wk = 0.0029586 k( 74) = ( 0.4985726 0.4985726 0.4209800), wk = 0.0029586 k( 75) = ( 0.5003919 0.5003919 0.4325170), wk = 0.0029586 k( 76) = ( 0.5022113 0.5022113 0.4440541), wk = 0.0029586 k( 77) = ( 0.5040306 0.5040306 0.4555912), wk = 0.0029586 k( 78) = ( 0.5058499 0.5058500 0.4671282), wk = 0.0029586 k( 79) = ( 0.5076693 0.5076693 0.4786653), wk = 0.0029586 k( 80) = ( 0.5094886 0.5094886 0.4902023), wk = 0.0029586 k( 81) = ( 0.5113080 0.5113080 0.5017394), wk = 0.0029586 k( 82) = ( 0.5113080 0.5113080 0.5017394), wk = 0.0029586 k( 83) = ( 0.5013622 0.5013622 0.5053368), wk = 0.0029586 k( 84) = ( 0.4914165 0.4914165 0.5089343), wk = 0.0029586 k( 85) = ( 0.4814708 0.4814708 0.5125317), wk = 0.0029586 k( 86) = ( 0.4715250 0.4715250 0.5161291), wk = 0.0029586 k( 87) = ( 0.4615793 0.4615793 0.5197266), wk = 0.0029586 k( 88) = ( 0.4516336 0.4516336 0.5233240), wk = 0.0029586 k( 89) = ( 0.4416878 0.4416878 0.5269215), wk = 0.0029586 k( 90) = ( 0.4317421 0.4317421 0.5305189), wk = 0.0029586 k( 91) = ( 0.4217964 0.4217964 0.5341163), wk = 0.0029586 k( 92) = ( 0.4118506 0.4118506 0.5377138), wk = 0.0029586 k( 93) = ( 0.4019049 0.4019049 0.5413112), wk = 0.0029586 k( 94) = ( 0.3919591 0.3919592 0.5449087), wk = 0.0029586 k( 95) = ( 0.3820134 0.3820134 0.5485061), wk = 0.0029586 k( 96) = ( 0.3720677 0.3720677 0.5521036), wk = 0.0029586 k( 97) = ( 0.3621219 0.3621219 0.5557010), wk = 0.0029586 k( 98) = ( 0.3621219 0.3621219 0.5557010), wk = 0.0029586 k( 99) = ( 0.3504406 0.3504406 0.5539042), wk = 0.0029586 k( 100) = ( 0.3387592 0.3387592 0.5521074), wk = 0.0029586 k( 101) = ( 0.3270779 0.3270779 0.5503106), wk = 0.0029586 k( 102) = ( 0.3153965 0.3153965 0.5485138), wk = 0.0029586 k( 103) = ( 0.3037152 0.3037152 0.5467170), wk = 0.0029586 k( 104) = ( 0.2920338 0.2920338 0.5449202), wk = 0.0029586 k( 105) = ( 0.2803525 0.2803525 0.5431234), wk = 0.0029586 k( 106) = ( 0.2686711 0.2686711 0.5413265), wk = 0.0029586 k( 107) = ( 0.2569898 0.2569898 0.5395297), wk = 0.0029586 k( 108) = ( 0.2453084 0.2453084 0.5377329), wk = 0.0029586 k( 109) = ( 0.2336271 0.2336271 0.5359361), wk = 0.0029586 k( 110) = ( 0.2219457 0.2219457 0.5341393), wk = 0.0029586 k( 111) = ( 0.2102643 0.2102644 0.5323425), wk = 0.0029586 k( 112) = ( 0.1985830 0.1985830 0.5305457), wk = 0.0029586 k( 113) = ( 0.1869017 0.1869017 0.5287489), wk = 0.0029586 k( 114) = ( 0.1752203 0.1752203 0.5269521), wk = 0.0029586 k( 115) = ( 0.1635389 0.1635389 0.5251553), wk = 0.0029586 k( 116) = ( 0.1518576 0.1518576 0.5233585), wk = 0.0029586 k( 117) = ( 0.1401762 0.1401762 0.5215617), wk = 0.0029586 k( 118) = ( 0.1284949 0.1284949 0.5197649), wk = 0.0029586 k( 119) = ( 0.1168135 0.1168135 0.5179681), wk = 0.0029586 k( 120) = ( 0.1051322 0.1051322 0.5161713), wk = 0.0029586 k( 121) = ( 0.0934508 0.0934508 0.5143745), wk = 0.0029586 k( 122) = ( 0.0817695 0.0817695 0.5125776), wk = 0.0029586 k( 123) = ( 0.0700881 0.0700881 0.5107808), wk = 0.0029586 k( 124) = ( 0.0584068 0.0584068 0.5089840), wk = 0.0029586 k( 125) = ( 0.0467254 0.0467254 0.5071872), wk = 0.0029586 k( 126) = ( 0.0350441 0.0350441 0.5053904), wk = 0.0029586 k( 127) = ( 0.0233627 0.0233627 0.5035936), wk = 0.0029586 k( 128) = ( 0.0116814 0.0116814 0.5017968), wk = 0.0029586 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 131) = ( 0.0135135 -0.0135135 0.5000000), wk = 0.0029586 k( 132) = ( 0.0270270 -0.0270270 0.5000000), wk = 0.0029586 k( 133) = ( 0.0405405 -0.0405405 0.5000000), wk = 0.0029586 k( 134) = ( 0.0540540 -0.0540540 0.5000000), wk = 0.0029586 k( 135) = ( 0.0675676 -0.0675676 0.5000000), wk = 0.0029586 k( 136) = ( 0.0810811 -0.0810811 0.5000000), wk = 0.0029586 k( 137) = ( 0.0945946 -0.0945946 0.5000000), wk = 0.0029586 k( 138) = ( 0.1081081 -0.1081081 0.5000000), wk = 0.0029586 k( 139) = ( 0.1216216 -0.1216216 0.5000000), wk = 0.0029586 k( 140) = ( 0.1351351 -0.1351351 0.5000000), wk = 0.0029586 k( 141) = ( 0.1486486 -0.1486486 0.5000000), wk = 0.0029586 k( 142) = ( 0.1621622 -0.1621622 0.5000000), wk = 0.0029586 k( 143) = ( 0.1756757 -0.1756757 0.5000000), wk = 0.0029586 k( 144) = ( 0.1891892 -0.1891892 0.5000000), wk = 0.0029586 k( 145) = ( 0.2027027 -0.2027027 0.5000000), wk = 0.0029586 k( 146) = ( 0.2162162 -0.2162162 0.5000000), wk = 0.0029586 k( 147) = ( 0.2297297 -0.2297297 0.5000000), wk = 0.0029586 k( 148) = ( 0.2432432 -0.2432432 0.5000000), wk = 0.0029586 k( 149) = ( 0.2567568 -0.2567568 0.5000000), wk = 0.0029586 k( 150) = ( 0.2702703 -0.2702703 0.5000000), wk = 0.0029586 k( 151) = ( 0.2837838 -0.2837838 0.5000000), wk = 0.0029586 k( 152) = ( 0.2972973 -0.2972973 0.5000000), wk = 0.0029586 k( 153) = ( 0.3108108 -0.3108108 0.5000000), wk = 0.0029586 k( 154) = ( 0.3243243 -0.3243243 0.5000000), wk = 0.0029586 k( 155) = ( 0.3378378 -0.3378378 0.5000000), wk = 0.0029586 k( 156) = ( 0.3513514 -0.3513513 0.5000000), wk = 0.0029586 k( 157) = ( 0.3648649 -0.3648649 0.5000000), wk = 0.0029586 k( 158) = ( 0.3783784 -0.3783784 0.5000000), wk = 0.0029586 k( 159) = ( 0.3918919 -0.3918919 0.5000000), wk = 0.0029586 k( 160) = ( 0.4054054 -0.4054054 0.5000000), wk = 0.0029586 k( 161) = ( 0.4189189 -0.4189189 0.5000000), wk = 0.0029586 k( 162) = ( 0.4324324 -0.4324324 0.5000000), wk = 0.0029586 k( 163) = ( 0.4459459 -0.4459459 0.5000000), wk = 0.0029586 k( 164) = ( 0.4594595 -0.4594595 0.5000000), wk = 0.0029586 k( 165) = ( 0.4729730 -0.4729730 0.5000000), wk = 0.0029586 k( 166) = ( 0.4864865 -0.4864865 0.5000000), wk = 0.0029586 k( 167) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029586 k( 168) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029586 k( 169) = ( 0.4886920 -0.5113080 0.4982606), wk = 0.0029586 k( 170) = ( 0.6378781 -0.3621219 0.4442990), wk = 0.0029586 k( 171) = ( 0.6360587 -0.3639413 0.4327619), wk = 0.0029586 k( 172) = ( 0.6342394 -0.3657606 0.4212249), wk = 0.0029586 k( 173) = ( 0.6324200 -0.3675800 0.4096878), wk = 0.0029586 k( 174) = ( 0.6306007 -0.3693993 0.3981508), wk = 0.0029586 k( 175) = ( 0.6287814 -0.3712187 0.3866137), wk = 0.0029586 k( 176) = ( 0.6269620 -0.3730380 0.3750767), wk = 0.0029586 k( 177) = ( 0.6251427 -0.3748573 0.3635396), wk = 0.0029586 k( 178) = ( 0.6233233 -0.3766767 0.3520026), wk = 0.0029586 k( 179) = ( 0.6215040 -0.3784960 0.3404655), wk = 0.0029586 k( 180) = ( 0.6196846 -0.3803154 0.3289285), wk = 0.0029586 k( 181) = ( 0.6178653 -0.3821347 0.3173914), wk = 0.0029586 k( 182) = ( 0.6160460 -0.3839540 0.3058544), wk = 0.0029586 k( 183) = ( 0.6142266 -0.3857734 0.2943173), wk = 0.0029586 k( 184) = ( 0.6124073 -0.3875927 0.2827802), wk = 0.0029586 k( 185) = ( 0.6105879 -0.3894121 0.2712432), wk = 0.0029586 k( 186) = ( 0.6087686 -0.3912314 0.2597061), wk = 0.0029586 k( 187) = ( 0.6069492 -0.3930508 0.2481691), wk = 0.0029586 k( 188) = ( 0.6051299 -0.3948701 0.2366320), wk = 0.0029586 k( 189) = ( 0.6033106 -0.3966894 0.2250950), wk = 0.0029586 k( 190) = ( 0.6014912 -0.3985088 0.2135579), wk = 0.0029586 k( 191) = ( 0.5996719 -0.4003281 0.2020209), wk = 0.0029586 k( 192) = ( 0.5978525 -0.4021475 0.1904838), wk = 0.0029586 k( 193) = ( 0.5960332 -0.4039668 0.1789468), wk = 0.0029586 k( 194) = ( 0.5942139 -0.4057862 0.1674097), wk = 0.0029586 k( 195) = ( 0.5923945 -0.4076055 0.1558727), wk = 0.0029586 k( 196) = ( 0.5905752 -0.4094248 0.1443356), wk = 0.0029586 k( 197) = ( 0.5887558 -0.4112442 0.1327986), wk = 0.0029586 k( 198) = ( 0.5869365 -0.4130635 0.1212615), wk = 0.0029586 k( 199) = ( 0.5851171 -0.4148829 0.1097245), wk = 0.0029586 k( 200) = ( 0.5832978 -0.4167022 0.0981874), wk = 0.0029586 k( 201) = ( 0.5814785 -0.4185215 0.0866503), wk = 0.0029586 k( 202) = ( 0.5796591 -0.4203409 0.0751133), wk = 0.0029586 k( 203) = ( 0.5778398 -0.4221602 0.0635762), wk = 0.0029586 k( 204) = ( 0.5760204 -0.4239796 0.0520392), wk = 0.0029586 k( 205) = ( 0.5742011 -0.4257989 0.0405021), wk = 0.0029586 k( 206) = ( 0.5723818 -0.4276183 0.0289651), wk = 0.0029586 k( 207) = ( 0.5705624 -0.4294376 0.0174280), wk = 0.0029586 k( 208) = ( 0.5687431 -0.4312569 0.0058910), wk = 0.0029586 k( 209) = ( 0.5669237 -0.4330763 -0.0056461), wk = 0.0029586 k( 210) = ( 0.5651044 -0.4348956 -0.0171831), wk = 0.0029586 k( 211) = ( 0.5632850 -0.4367150 -0.0287202), wk = 0.0029586 k( 212) = ( 0.5632850 -0.4367150 -0.0287202), wk = 0.0029586 k( 213) = ( 0.5542443 -0.4457557 -0.0246173), wk = 0.0029586 k( 214) = ( 0.5452036 -0.4547964 -0.0205144), wk = 0.0029586 k( 215) = ( 0.5361629 -0.4638371 -0.0164115), wk = 0.0029586 k( 216) = ( 0.5271222 -0.4728778 -0.0123087), wk = 0.0029586 k( 217) = ( 0.5180814 -0.4819186 -0.0082058), wk = 0.0029586 k( 218) = ( 0.5090407 -0.4909593 -0.0041029), wk = 0.0029586 k( 219) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0029586 k( 220) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0029586 k( 221) = ( 0.4864865 -0.4864865 -0.0000000), wk = 0.0029586 k( 222) = ( 0.4729730 -0.4729730 -0.0000000), wk = 0.0029586 k( 223) = ( 0.4594595 -0.4594595 -0.0000000), wk = 0.0029586 k( 224) = ( 0.4459459 -0.4459459 -0.0000000), wk = 0.0029586 k( 225) = ( 0.4324324 -0.4324324 -0.0000000), wk = 0.0029586 k( 226) = ( 0.4189189 -0.4189189 -0.0000000), wk = 0.0029586 k( 227) = ( 0.4054054 -0.4054054 -0.0000000), wk = 0.0029586 k( 228) = ( 0.3918919 -0.3918919 -0.0000000), wk = 0.0029586 k( 229) = ( 0.3783784 -0.3783784 -0.0000000), wk = 0.0029586 k( 230) = ( 0.3648649 -0.3648649 -0.0000000), wk = 0.0029586 k( 231) = ( 0.3513514 -0.3513513 -0.0000000), wk = 0.0029586 k( 232) = ( 0.3378378 -0.3378378 -0.0000000), wk = 0.0029586 k( 233) = ( 0.3243243 -0.3243243 -0.0000000), wk = 0.0029586 k( 234) = ( 0.3108108 -0.3108108 -0.0000000), wk = 0.0029586 k( 235) = ( 0.2972973 -0.2972973 -0.0000000), wk = 0.0029586 k( 236) = ( 0.2837838 -0.2837838 -0.0000000), wk = 0.0029586 k( 237) = ( 0.2702703 -0.2702703 -0.0000000), wk = 0.0029586 k( 238) = ( 0.2567568 -0.2567568 -0.0000000), wk = 0.0029586 k( 239) = ( 0.2432432 -0.2432432 -0.0000000), wk = 0.0029586 k( 240) = ( 0.2297297 -0.2297297 -0.0000000), wk = 0.0029586 k( 241) = ( 0.2162162 -0.2162162 -0.0000000), wk = 0.0029586 k( 242) = ( 0.2027027 -0.2027027 -0.0000000), wk = 0.0029586 k( 243) = ( 0.1891892 -0.1891892 -0.0000000), wk = 0.0029586 k( 244) = ( 0.1756757 -0.1756757 -0.0000000), wk = 0.0029586 k( 245) = ( 0.1621622 -0.1621622 -0.0000000), wk = 0.0029586 k( 246) = ( 0.1486486 -0.1486486 -0.0000000), wk = 0.0029586 k( 247) = ( 0.1351351 -0.1351351 -0.0000000), wk = 0.0029586 k( 248) = ( 0.1216216 -0.1216216 -0.0000000), wk = 0.0029586 k( 249) = ( 0.1081081 -0.1081081 -0.0000000), wk = 0.0029586 k( 250) = ( 0.0945946 -0.0945946 -0.0000000), wk = 0.0029586 k( 251) = ( 0.0810811 -0.0810811 -0.0000000), wk = 0.0029586 k( 252) = ( 0.0675676 -0.0675676 -0.0000000), wk = 0.0029586 k( 253) = ( 0.0540540 -0.0540540 -0.0000000), wk = 0.0029586 k( 254) = ( 0.0405405 -0.0405405 -0.0000000), wk = 0.0029586 k( 255) = ( 0.0270270 -0.0270270 -0.0000000), wk = 0.0029586 k( 256) = ( 0.0135135 -0.0135135 -0.0000000), wk = 0.0029586 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 258) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 259) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0029586 k( 260) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0029586 k( 261) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0029586 k( 262) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0029586 k( 263) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0029586 k( 264) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0029586 k( 265) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0029586 k( 266) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0029586 k( 267) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0029586 k( 268) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0029586 k( 269) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0029586 k( 270) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0029586 k( 271) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0029586 k( 272) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0029586 k( 273) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0029586 k( 274) = ( 0.2758621 0.0000000 -0.0000000), wk = 0.0029586 k( 275) = ( 0.2931034 0.0000000 -0.0000000), wk = 0.0029586 k( 276) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0029586 k( 277) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0029586 k( 278) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0029586 k( 279) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0029586 k( 280) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0029586 k( 281) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0029586 k( 282) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0029586 k( 283) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0029586 k( 284) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0029586 k( 285) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0029586 k( 286) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0029586 k( 287) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 289) = ( 0.4900000 -0.0000000 0.4900000), wk = 0.0029586 k( 290) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0029586 k( 291) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0029586 k( 292) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0029586 k( 293) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0029586 k( 294) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0029586 k( 295) = ( 0.4300000 -0.0000000 0.4300000), wk = 0.0029586 k( 296) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0029586 k( 297) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0029586 k( 298) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0029586 k( 299) = ( 0.3900000 0.0000000 0.3900000), wk = 0.0029586 k( 300) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0029586 k( 301) = ( 0.3700000 -0.0000000 0.3700000), wk = 0.0029586 k( 302) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0029586 k( 303) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0029586 k( 304) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0029586 k( 305) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0029586 k( 306) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0029586 k( 307) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0029586 k( 308) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0029586 k( 309) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0029586 k( 310) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0029586 k( 311) = ( 0.2700000 -0.0000000 0.2700000), wk = 0.0029586 k( 312) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0029586 k( 313) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029586 k( 314) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0029586 k( 315) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0029586 k( 316) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0029586 k( 317) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0029586 k( 318) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0029586 k( 319) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0029586 k( 320) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0029586 k( 321) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0029586 k( 322) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0029586 k( 323) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0029586 k( 324) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0029586 k( 325) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0029586 k( 326) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0029586 k( 327) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0029586 k( 328) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0029586 k( 329) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0029586 k( 330) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0029586 k( 331) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0029586 k( 332) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0029586 k( 333) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0029586 k( 334) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0029586 k( 335) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0029586 k( 336) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0029586 k( 337) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0029586 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 Dense grid: 98443 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 47059 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 338, 48) NL pseudopotentials 0.30 Mb ( 169, 118) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2735) G-vector shells 0.02 Mb ( 2709) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 338, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.17 Mb ( 118, 2, 48) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./MgH4xClOx2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.5 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.3 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.8 secs Computing kpt #: 30 total cpu time spent up to now is 16.3 secs Computing kpt #: 31 total cpu time spent up to now is 16.8 secs Computing kpt #: 32 total cpu time spent up to now is 17.3 secs Computing kpt #: 33 total cpu time spent up to now is 17.9 secs Computing kpt #: 34 total cpu time spent up to now is 18.4 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.5 secs Computing kpt #: 39 total cpu time spent up to now is 21.0 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.9 secs Computing kpt #: 44 total cpu time spent up to now is 23.4 secs Computing kpt #: 45 total cpu time spent up to now is 23.8 secs Computing kpt #: 46 total cpu time spent up to now is 24.3 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.2 secs Computing kpt #: 49 total cpu time spent up to now is 25.6 secs Computing kpt #: 50 total cpu time spent up to now is 26.0 secs Computing kpt #: 51 total cpu time spent up to now is 26.5 secs Computing kpt #: 52 total cpu time spent up to now is 26.9 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.2 secs Computing kpt #: 56 total cpu time spent up to now is 28.6 secs Computing kpt #: 57 total cpu time spent up to now is 29.0 secs Computing kpt #: 58 total cpu time spent up to now is 29.5 secs Computing kpt #: 59 total cpu time spent up to now is 29.9 secs Computing kpt #: 60 total cpu time spent up to now is 30.3 secs Computing kpt #: 61 total cpu time spent up to now is 30.7 secs Computing kpt #: 62 total cpu time spent up to now is 31.2 secs Computing kpt #: 63 total cpu time spent up to now is 31.6 secs Computing kpt #: 64 total cpu time spent up to now is 32.1 secs Computing kpt #: 65 total cpu time spent up to now is 32.5 secs Computing kpt #: 66 total cpu time spent up to now is 33.0 secs Computing kpt #: 67 total cpu time spent up to now is 33.4 secs Computing kpt #: 68 total cpu time spent up to now is 33.9 secs Computing kpt #: 69 total cpu time spent up to now is 34.3 secs Computing kpt #: 70 total cpu time spent up to now is 34.8 secs Computing kpt #: 71 total cpu time spent up to now is 35.2 secs Computing kpt #: 72 total cpu time spent up to now is 35.7 secs Computing kpt #: 73 total cpu time spent up to now is 36.2 secs Computing kpt #: 74 total cpu time spent up to now is 36.7 secs Computing kpt #: 75 total cpu time spent up to now is 37.2 secs Computing kpt #: 76 total cpu time spent up to now is 37.7 secs Computing kpt #: 77 total cpu time spent up to now is 38.2 secs Computing kpt #: 78 total cpu time spent up to now is 38.7 secs Computing kpt #: 79 total cpu time spent up to now is 39.2 secs Computing kpt #: 80 total cpu time spent up to now is 39.6 secs Computing kpt #: 81 total cpu time spent up to now is 40.1 secs Computing kpt #: 82 total cpu time spent up to now is 40.6 secs Computing kpt #: 83 total cpu time spent up to now is 41.1 secs Computing kpt #: 84 total cpu time spent up to now is 41.6 secs Computing kpt #: 85 total cpu time spent up to now is 42.0 secs Computing kpt #: 86 total cpu time spent up to now is 42.5 secs Computing kpt #: 87 total cpu time spent up to now is 43.0 secs Computing kpt #: 88 total cpu time spent up to now is 43.5 secs Computing kpt #: 89 total cpu time spent up to now is 43.9 secs Computing kpt #: 90 total cpu time spent up to now is 44.4 secs Computing kpt #: 91 total cpu time spent up to now is 44.9 secs Computing kpt #: 92 total cpu time spent up to now is 45.4 secs Computing kpt #: 93 total cpu time spent up to now is 45.9 secs Computing kpt #: 94 total cpu time spent up to now is 46.4 secs Computing kpt #: 95 total cpu time spent up to now is 46.8 secs Computing kpt #: 96 total cpu time spent up to now is 47.3 secs Computing kpt #: 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to now is 54.4 secs Computing kpt #: 113 total cpu time spent up to now is 54.8 secs Computing kpt #: 114 total cpu time spent up to now is 55.2 secs Computing kpt #: 115 total cpu time spent up to now is 55.7 secs Computing kpt #: 116 total cpu time spent up to now is 56.1 secs Computing kpt #: 117 total cpu time spent up to now is 56.5 secs Computing kpt #: 118 total cpu time spent up to now is 57.0 secs Computing kpt #: 119 total cpu time spent up to now is 57.5 secs Computing kpt #: 120 total cpu time spent up to now is 58.0 secs Computing kpt #: 121 total cpu time spent up to now is 58.5 secs Computing kpt #: 122 total cpu time spent up to now is 59.0 secs Computing kpt #: 123 total cpu time spent up to now is 59.5 secs Computing kpt #: 124 total cpu time spent up to now is 60.0 secs Computing kpt #: 125 total cpu time spent up to now is 60.5 secs Computing kpt #: 126 total cpu time spent up to now is 61.0 secs Computing kpt #: 127 total cpu time spent up to now is 61.5 secs Computing kpt #: 128 total cpu time spent up to now is 62.0 secs Computing kpt #: 129 total cpu time spent up to now is 62.5 secs Computing kpt #: 130 total cpu time spent up to now is 63.1 secs Computing kpt #: 131 total cpu time spent up to now is 63.6 secs Computing kpt #: 132 total cpu time spent up to now is 64.2 secs Computing kpt #: 133 total cpu time spent up to now is 64.7 secs Computing kpt #: 134 total cpu time spent up to now is 65.2 secs Computing kpt #: 135 total cpu time spent up to now is 65.8 secs Computing kpt #: 136 total cpu time spent up to now is 66.4 secs Computing kpt #: 137 total cpu time spent up to now is 66.9 secs Computing kpt #: 138 total cpu time spent up to now is 67.4 secs Computing kpt #: 139 total cpu time spent up to now is 68.0 secs Computing kpt #: 140 total cpu time spent up to now is 68.5 secs Computing kpt #: 141 total cpu time spent up to now is 69.1 secs Computing kpt #: 142 total cpu time spent up to now is 69.6 secs Computing kpt #: 143 total cpu time spent up to now is 70.1 secs Computing kpt #: 144 total cpu time spent up to now is 70.7 secs Computing kpt #: 145 total cpu time spent up to now is 71.2 secs Computing kpt #: 146 total cpu time spent up to now is 71.8 secs Computing kpt #: 147 total cpu time spent up to now is 72.3 secs Computing kpt #: 148 total cpu time spent up to now is 72.8 secs Computing kpt #: 149 total cpu time spent up to now is 73.4 secs Computing kpt #: 150 total cpu time spent up to now is 74.0 secs Computing kpt #: 151 total cpu time spent up to now is 74.6 secs Computing kpt #: 152 total cpu time spent up to now is 75.1 secs Computing kpt #: 153 total cpu time spent up to now is 75.6 secs Computing kpt #: 154 total cpu time spent up to now is 76.1 secs Computing kpt #: 155 total cpu time spent up to now is 76.7 secs Computing kpt #: 156 total cpu time spent up to now is 77.3 secs Computing kpt #: 157 total cpu time spent up to now is 77.9 secs Computing kpt #: 158 total cpu time spent up to now is 78.4 secs Computing kpt #: 159 total cpu time spent up to now is 78.9 secs Computing kpt #: 160 total cpu time spent up to now is 79.4 secs Computing kpt #: 161 total cpu time spent up to now is 79.9 secs Computing kpt #: 162 total cpu time spent up to now is 80.4 secs Computing kpt #: 163 total cpu time spent up to now is 80.9 secs Computing kpt #: 164 total cpu time spent up to now is 81.4 secs Computing kpt #: 165 total cpu time spent up to now is 81.9 secs Computing kpt #: 166 total cpu time spent up to now is 82.4 secs Computing kpt #: 167 total cpu time spent up to now is 82.9 secs Computing kpt #: 168 total cpu time spent up to now is 83.3 secs Computing kpt #: 169 total cpu time spent up to now is 83.8 secs Computing kpt #: 170 total cpu time spent up to now is 84.2 secs Computing kpt #: 171 total cpu time spent up to now is 84.7 secs Computing kpt #: 172 total cpu time spent up to now is 85.1 secs Computing kpt #: 173 total cpu time spent up to now is 85.6 secs Computing kpt #: 174 total cpu time spent up to now is 86.0 secs Computing kpt #: 175 total cpu time spent up to now is 86.4 secs Computing kpt #: 176 total cpu time spent up to now is 86.9 secs Computing kpt #: 177 total cpu time spent up to now is 87.3 secs Computing kpt #: 178 total cpu time spent up to now is 87.8 secs Computing kpt #: 179 total cpu time spent up to now is 88.2 secs Computing kpt #: 180 total cpu time spent up to now is 88.6 secs Computing kpt #: 181 total cpu time spent up to now is 89.1 secs Computing kpt #: 182 total cpu time spent up to now is 89.5 secs Computing kpt #: 183 total cpu time spent up to now is 89.9 secs Computing kpt #: 184 total cpu time spent up to now is 90.3 secs Computing kpt #: 185 total cpu time spent up to now is 90.7 secs Computing kpt #: 186 total cpu time spent up to now is 91.1 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 91.9 secs Computing kpt #: 189 total cpu time spent up to now is 92.4 secs Computing kpt #: 190 total cpu time spent up to now is 92.8 secs Computing kpt #: 191 total cpu time spent up to now is 93.2 secs Computing kpt #: 192 total cpu time spent up to now is 93.6 secs Computing kpt #: 193 total cpu time spent up to now is 94.0 secs Computing kpt #: 194 total cpu time spent up to now is 94.4 secs Computing kpt #: 195 total cpu time spent up to now is 94.8 secs Computing kpt #: 196 total cpu time spent up to now is 95.2 secs Computing kpt #: 197 total cpu time spent up to now is 95.7 secs Computing kpt #: 198 total cpu time spent up to now is 96.1 secs Computing kpt #: 199 total cpu time spent up to now is 96.6 secs Computing kpt #: 200 total cpu time spent up to now is 97.0 secs Computing kpt #: 201 total cpu time spent up to now is 97.5 secs Computing kpt #: 202 total cpu time spent up to now is 98.0 secs Computing kpt #: 203 total cpu time spent up to now is 98.4 secs Computing kpt #: 204 total cpu time spent up to now is 98.9 secs Computing kpt #: 205 total cpu time spent up to now is 99.4 secs Computing kpt #: 206 total cpu time spent up to now is 99.9 secs Computing kpt #: 207 total cpu time spent up to now is 100.3 secs Computing kpt #: 208 total cpu time spent up to now is 100.8 secs Computing kpt #: 209 total cpu time spent up to now is 101.3 secs Computing kpt #: 210 total cpu time spent up to now is 101.7 secs Computing kpt #: 211 total cpu time spent up to now is 102.2 secs Computing kpt #: 212 total cpu time spent up to now is 102.7 secs Computing kpt #: 213 total cpu time spent up to now is 103.2 secs Computing kpt #: 214 total cpu time spent up to now is 103.7 secs Computing kpt #: 215 total cpu time spent up to now is 104.1 secs Computing kpt #: 216 total cpu time spent up to now is 104.6 secs Computing kpt #: 217 total cpu time spent up to now is 105.0 secs Computing kpt #: 218 total cpu time spent up to now is 105.5 secs Computing kpt #: 219 total cpu time spent up to now is 106.0 secs Computing kpt #: 220 total cpu time spent up to now is 106.4 secs Computing kpt #: 221 total cpu time spent up to now is 106.9 secs Computing kpt #: 222 total cpu time spent up to now is 107.3 secs Computing kpt #: 223 total cpu time spent up to now is 107.8 secs Computing kpt #: 224 total cpu time spent up to now is 108.2 secs Computing kpt #: 225 total cpu time spent up to now is 108.7 secs Computing kpt #: 226 total cpu time spent up to now is 109.2 secs Computing kpt #: 227 total cpu time spent up to now is 109.6 secs Computing kpt #: 228 total cpu time spent up to now is 110.1 secs Computing kpt #: 229 total cpu time spent up to now is 110.5 secs Computing kpt #: 230 total cpu time spent up to now is 111.0 secs Computing kpt #: 231 total cpu time spent up to now is 111.5 secs Computing kpt #: 232 total cpu time spent up to now is 111.9 secs Computing kpt #: 233 total cpu time spent up to now is 112.4 secs Computing kpt #: 234 total cpu time spent up to now is 112.8 secs Computing kpt #: 235 total cpu time spent up to now is 113.3 secs Computing kpt #: 236 total cpu time spent up to now is 113.7 secs Computing kpt #: 237 total cpu time spent up to now is 114.2 secs Computing kpt #: 238 total cpu time spent up to now is 114.6 secs Computing kpt #: 239 total cpu time spent up to now is 115.0 secs Computing kpt #: 240 total cpu time spent up to now is 115.4 secs Computing kpt #: 241 total cpu time spent up to now is 115.9 secs Computing kpt #: 242 total cpu time spent up to now is 116.3 secs Computing kpt #: 243 total cpu time spent up to now is 116.7 secs Computing kpt #: 244 total cpu time spent up to now is 117.1 secs Computing kpt #: 245 total cpu time spent up to now is 117.6 secs Computing kpt #: 246 total cpu time spent up to now is 118.0 secs Computing kpt #: 247 total cpu time spent up to now is 118.4 secs Computing kpt #: 248 total cpu time spent up to now is 118.8 secs Computing kpt #: 249 total cpu time spent up to now is 119.2 secs Computing kpt #: 250 total cpu time spent up to now is 119.7 secs Computing kpt #: 251 total cpu time spent up to now is 120.1 secs Computing kpt #: 252 total cpu time spent up to now is 120.5 secs Computing kpt #: 253 total cpu time spent up to now is 120.9 secs Computing kpt #: 254 total cpu time spent up to now is 121.3 secs Computing kpt #: 255 total cpu time spent up to now is 121.8 secs Computing kpt #: 256 total cpu time spent up to now is 122.2 secs Computing kpt #: 257 total cpu time spent up to now is 122.6 secs Computing kpt #: 258 total cpu time spent up to now is 123.0 secs Computing kpt #: 259 total cpu time spent up to now is 123.5 secs Computing kpt #: 260 total cpu time spent up to now is 123.9 secs Computing kpt #: 261 total cpu time spent up to now is 124.3 secs Computing kpt #: 262 total cpu time spent up to now is 124.7 secs Computing kpt #: 263 total cpu time spent up to now is 125.2 secs Computing kpt #: 264 total cpu time spent up to now is 125.6 secs Computing kpt #: 265 total cpu time spent up to now is 126.0 secs Computing kpt #: 266 total cpu time spent up to now is 126.4 secs Computing kpt #: 267 total cpu time spent up to now is 126.9 secs Computing kpt #: 268 total cpu time spent up to now is 127.3 secs Computing kpt #: 269 total cpu time spent up to now is 127.7 secs Computing kpt #: 270 total cpu time spent up to now is 128.2 secs Computing kpt #: 271 total cpu time spent up to now is 128.6 secs Computing kpt #: 272 total cpu time spent up to now is 129.1 secs Computing kpt #: 273 total cpu time spent up to now is 129.5 secs Computing kpt #: 274 total cpu time spent up to now is 129.9 secs Computing kpt #: 275 total cpu time spent up to now is 130.4 secs Computing kpt #: 276 total cpu time spent up to now is 130.8 secs Computing kpt #: 277 total cpu time spent up to now is 131.2 secs Computing kpt #: 278 total cpu time spent up to now is 131.7 secs Computing kpt #: 279 total cpu time spent up to now is 132.1 secs Computing kpt #: 280 total cpu time spent up to now is 132.6 secs Computing kpt #: 281 total cpu time spent up to now is 133.0 secs Computing kpt #: 282 total cpu time spent up to now is 133.5 secs Computing kpt #: 283 total cpu time spent up to now is 133.9 secs Computing kpt #: 284 total cpu time spent up to now is 134.4 secs Computing kpt #: 285 total cpu time spent up to now is 134.9 secs Computing kpt #: 286 total cpu time spent up to now is 135.3 secs Computing kpt #: 287 total cpu time spent up to now is 135.8 secs Computing kpt #: 288 total cpu time spent up to now is 136.4 secs Computing kpt #: 289 total cpu time spent up to now is 136.9 secs Computing kpt #: 290 total cpu time spent up to now is 137.4 secs Computing kpt #: 291 total cpu time spent up to now is 137.9 secs Computing kpt #: 292 total cpu time spent up to now is 138.4 secs Computing kpt #: 293 total cpu time spent up to now is 139.0 secs Computing kpt #: 294 total cpu time spent up to now is 139.5 secs Computing kpt #: 295 total cpu time spent up to now is 140.0 secs Computing kpt #: 296 total cpu time spent up to now is 140.6 secs Computing kpt #: 297 total cpu time spent up to now is 141.1 secs Computing kpt #: 298 total cpu time spent up to now is 141.6 secs Computing kpt #: 299 total cpu time spent up to now is 142.1 secs Computing kpt #: 300 total cpu time spent up to now is 142.7 secs Computing kpt #: 301 total cpu time spent up to now is 143.1 secs Computing kpt #: 302 total cpu time spent up to now is 144.1 secs Computing kpt #: 303 total cpu time spent up to now is 144.6 secs Computing kpt #: 304 total cpu time spent up to now is 145.0 secs Computing kpt #: 305 total cpu time spent up to now is 145.5 secs Computing kpt #: 306 total cpu time spent up to now is 146.0 secs Computing kpt #: 307 total cpu time spent up to now is 146.4 secs Computing kpt #: 308 total cpu time spent up to now is 146.9 secs Computing kpt #: 309 total cpu time spent up to now is 147.3 secs Computing kpt #: 310 total cpu time spent up to now is 147.9 secs Computing kpt #: 311 total cpu time spent up to now is 148.4 secs Computing kpt #: 312 total cpu time spent up to now is 148.9 secs Computing kpt #: 313 total cpu time spent up to now is 149.4 secs Computing kpt #: 314 total cpu time spent up to now is 149.9 secs Computing kpt #: 315 total cpu time spent up to now is 150.4 secs Computing kpt #: 316 total cpu time spent up to now is 151.0 secs Computing kpt #: 317 total cpu time spent up to now is 151.5 secs Computing kpt #: 318 total cpu time spent up to now is 152.0 secs Computing kpt #: 319 total cpu time spent up to now is 152.5 secs Computing kpt #: 320 total cpu time spent up to now is 153.0 secs Computing kpt #: 321 total cpu time spent up to now is 153.6 secs Computing kpt #: 322 total cpu time spent up to now is 154.2 secs Computing kpt #: 323 total cpu time spent up to now is 154.8 secs Computing kpt #: 324 total cpu time spent up to now is 155.4 secs Computing kpt #: 325 total cpu time spent up to now is 155.8 secs Computing kpt #: 326 total cpu time spent up to now is 156.3 secs Computing kpt #: 327 total cpu time spent up to now is 156.7 secs Computing kpt #: 328 total cpu time spent up to now is 157.2 secs Computing kpt #: 329 total cpu time spent up to now is 157.6 secs Computing kpt #: 330 total cpu time spent up to now is 158.0 secs Computing kpt #: 331 total cpu time spent up to now is 158.5 secs Computing kpt #: 332 total cpu time spent up to now is 158.9 secs Computing kpt #: 333 total cpu time spent up to now is 159.3 secs Computing kpt #: 334 total cpu time spent up to now is 159.8 secs Computing kpt #: 335 total cpu time spent up to now is 160.2 secs Computing kpt #: 336 total cpu time spent up to now is 160.6 secs Computing kpt #: 337 total cpu time spent up to now is 161.0 secs Computing kpt #: 338 total cpu time spent up to now is 161.4 secs ethr = 2.50E-08, avg # of iterations = 20.1 total cpu time spent up to now is 161.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8782 -11.8782 -7.4349 -7.4349 -7.2433 -7.2433 -5.0333 -5.0333 -4.6618 -4.6618 -1.3923 -1.3923 -1.0516 -1.0516 -0.9069 -0.9069 0.2120 0.2120 0.2559 0.2559 0.3646 0.3646 0.4476 0.4476 0.5509 0.5509 6.1215 6.1215 8.3730 8.3730 8.9622 8.9622 8.9850 8.9850 k = 0.0115 0.0133-0.0016 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8784 -11.8784 -7.4347 -7.4347 -7.2434 -7.2434 -5.0327 -5.0327 -4.6616 -4.6616 -1.3919 -1.3919 -1.0519 -1.0519 -0.9061 -0.9061 0.2106 0.2106 0.2550 0.2550 0.3643 0.3643 0.4475 0.4475 0.5497 0.5497 6.1251 6.1251 8.3750 8.3750 8.9639 8.9639 8.9847 8.9847 k = 0.0230 0.0266-0.0032 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3964 -20.3964 -20.3327 -20.3327 -12.1273 -12.1273 -11.8792 -11.8792 -7.4339 -7.4339 -7.2436 -7.2436 -5.0311 -5.0311 -4.6609 -4.6609 -1.3910 -1.3910 -1.0529 -1.0529 -0.9036 -0.9036 0.2062 0.2062 0.2523 0.2523 0.3633 0.3633 0.4473 0.4473 0.5459 0.5459 6.1359 6.1359 8.3811 8.3811 8.9680 8.9680 8.9847 8.9847 k = 0.0345 0.0399-0.0048 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3961 -20.3961 -20.3329 -20.3329 -12.1269 -12.1269 -11.8804 -11.8804 -7.4326 -7.4326 -7.2440 -7.2440 -5.0285 -5.0285 -4.6598 -4.6598 -1.3894 -1.3894 -1.0545 -1.0545 -0.8994 -0.8994 0.1988 0.1988 0.2478 0.2478 0.3618 0.3618 0.4469 0.4469 0.5399 0.5399 6.1538 6.1538 8.3912 8.3912 8.9709 8.9709 8.9887 8.9887 k = 0.0460 0.0532-0.0063 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3958 -20.3958 -20.3332 -20.3332 -12.1264 -12.1264 -11.8820 -11.8820 -7.4308 -7.4308 -7.2446 -7.2446 -5.0248 -5.0248 -4.6584 -4.6584 -1.3872 -1.3872 -1.0568 -1.0568 -0.8937 -0.8937 0.1882 0.1882 0.2415 0.2415 0.3597 0.3597 0.4463 0.4463 0.5322 0.5322 6.1786 6.1786 8.4053 8.4053 8.9690 8.9690 9.0003 9.0003 k = 0.0575 0.0665-0.0079 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3953 -20.3953 -20.3336 -20.3336 -12.1257 -12.1257 -11.8842 -11.8842 -7.4285 -7.4285 -7.2453 -7.2453 -5.0201 -5.0201 -4.6564 -4.6564 -1.3843 -1.3843 -1.0596 -1.0596 -0.8865 -0.8865 0.1740 0.1740 0.2335 0.2335 0.3572 0.3572 0.4454 0.4454 0.5233 0.5233 6.2101 6.2101 8.4232 8.4232 8.9642 8.9642 9.0175 9.0175 k = 0.0690 0.0798-0.0095 ( 5870 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3947 -20.3947 -20.3341 -20.3341 -12.1249 -12.1249 -11.8867 -11.8867 -7.4258 -7.4258 -7.2461 -7.2461 -5.0144 -5.0144 -4.6541 -4.6541 -1.3808 -1.3808 -1.0631 -1.0631 -0.8778 -0.8778 0.1559 0.1559 0.2236 0.2236 0.3541 0.3541 0.4442 0.4442 0.5138 0.5138 6.2479 6.2479 8.4450 8.4450 8.9579 8.9579 9.0388 9.0388 k = 0.0804 0.0931-0.0111 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3941 -20.3941 -20.3346 -20.3346 -12.1240 -12.1240 -11.8897 -11.8897 -7.4225 -7.4225 -7.2470 -7.2470 -5.0078 -5.0078 -4.6514 -4.6514 -1.3767 -1.3767 -1.0671 -1.0671 -0.8678 -0.8678 0.1338 0.1338 0.2119 0.2119 0.3508 0.3508 0.4427 0.4427 0.5044 0.5044 6.2918 6.2918 8.4705 8.4705 8.9503 8.9503 9.0637 9.0637 k = 0.0919 0.1064-0.0127 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3933 -20.3933 -20.3353 -20.3353 -12.1230 -12.1230 -11.8930 -11.8930 -7.4188 -7.4188 -7.2481 -7.2481 -5.0004 -5.0004 -4.6483 -4.6483 -1.3719 -1.3719 -1.0716 -1.0716 -0.8566 -0.8566 0.1077 0.1077 0.1986 0.1986 0.3472 0.3472 0.4407 0.4407 0.4957 0.4957 6.3414 6.3414 8.4995 8.4995 8.9418 8.9418 9.0920 9.0920 k = 0.1034 0.1197-0.0143 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3925 -20.3925 -20.3360 -20.3360 -12.1219 -12.1219 -11.8967 -11.8967 -7.4147 -7.4147 -7.2492 -7.2492 -4.9921 -4.9921 -4.6448 -4.6448 -1.3665 -1.3665 -1.0765 -1.0765 -0.8444 -0.8444 0.0777 0.0777 0.1836 0.1836 0.3434 0.3434 0.4381 0.4381 0.4881 0.4881 6.3962 6.3962 8.5319 8.5319 8.9323 8.9323 9.1231 9.1231 k = 0.1149 0.1330-0.0159 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3915 -20.3915 -20.3368 -20.3368 -12.1208 -12.1208 -11.9007 -11.9007 -7.4102 -7.4102 -7.2504 -7.2504 -4.9830 -4.9830 -4.6410 -4.6410 -1.3605 -1.3605 -1.0819 -1.0819 -0.8315 -0.8315 0.0441 0.0441 0.1671 0.1671 0.3394 0.3394 0.4349 0.4349 0.4817 0.4817 6.4559 6.4559 8.5676 8.5676 8.9220 8.9220 9.1568 9.1568 k = 0.1264 0.1463-0.0175 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3905 -20.3905 -20.3377 -20.3377 -12.1197 -12.1197 -11.9049 -11.9049 -7.4052 -7.4052 -7.2517 -7.2517 -4.9733 -4.9733 -4.6369 -4.6369 -1.3538 -1.3538 -1.0878 -1.0878 -0.8182 -0.8182 0.0076 0.0076 0.1490 0.1490 0.3354 0.3354 0.4312 0.4312 0.4766 0.4766 6.5201 6.5201 8.6063 8.6063 8.9109 8.9109 9.1927 9.1927 k = 0.1379 0.1596-0.0190 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3894 -20.3894 -20.3386 -20.3386 -12.1185 -12.1185 -11.9093 -11.9093 -7.3999 -7.3999 -7.2530 -7.2530 -4.9629 -4.9629 -4.6324 -4.6324 -1.3465 -1.3465 -1.0939 -1.0939 -0.8049 -0.8049 -0.0310 -0.0310 0.1296 0.1296 0.3313 0.3313 0.4271 0.4271 0.4728 0.4728 6.5884 6.5884 8.6477 8.6477 8.8988 8.8988 9.2305 9.2305 k = 0.1494 0.1729-0.0206 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3883 -20.3883 -20.3396 -20.3396 -12.1174 -12.1174 -11.9138 -11.9138 -7.3942 -7.3942 -7.2544 -7.2544 -4.9519 -4.9519 -4.6277 -4.6277 -1.3386 -1.3386 -1.1004 -1.1004 -0.7922 -0.7922 -0.0708 -0.0708 0.1088 0.1088 0.3271 0.3271 0.4228 0.4228 0.4698 0.4698 6.6602 6.6602 8.6918 8.6918 8.8858 8.8858 9.2696 9.2696 k = 0.1609 0.1862-0.0222 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3870 -20.3870 -20.3406 -20.3406 -12.1164 -12.1164 -11.9185 -11.9185 -7.3883 -7.3883 -7.2558 -7.2558 -4.9405 -4.9405 -4.6227 -4.6227 -1.3301 -1.3301 -1.1072 -1.1072 -0.7808 -0.7808 -0.1106 -0.1106 0.0867 0.0867 0.3229 0.3229 0.4184 0.4184 0.4676 0.4676 6.7354 6.7354 8.7381 8.7381 8.8717 8.8717 9.3099 9.3099 k = 0.1724 0.1995-0.0238 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3858 -20.3858 -20.3417 -20.3417 -12.1155 -12.1155 -11.9232 -11.9232 -7.3820 -7.3820 -7.2571 -7.2571 -4.9286 -4.9286 -4.6174 -4.6174 -1.3209 -1.3209 -1.1142 -1.1142 -0.7717 -0.7717 -0.1490 -0.1490 0.0636 0.0636 0.3186 0.3186 0.4141 0.4141 0.4658 0.4658 6.8134 6.8134 8.7863 8.7863 8.8565 8.8565 9.3510 9.3510 k = 0.1839 0.2128-0.0254 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3844 -20.3844 -20.3428 -20.3428 -12.1148 -12.1148 -11.9278 -11.9278 -7.3754 -7.3754 -7.2585 -7.2585 -4.9164 -4.9164 -4.6119 -4.6119 -1.3111 -1.3111 -1.1214 -1.1214 -0.7661 -0.7661 -0.1843 -0.1843 0.0393 0.0393 0.3143 0.3143 0.4099 0.4099 0.4645 0.4645 6.8940 6.8940 8.8347 8.8347 8.8416 8.8416 9.3926 9.3926 k = 0.1954 0.2261-0.0270 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3831 -20.3831 -20.3440 -20.3440 -12.1143 -12.1143 -11.9324 -11.9324 -7.3687 -7.3687 -7.2598 -7.2598 -4.9039 -4.9039 -4.6063 -4.6063 -1.3007 -1.3007 -1.1287 -1.1287 -0.7655 -0.7655 -0.2148 -0.2148 0.0142 0.0142 0.3100 0.3100 0.4059 0.4059 0.4633 0.4633 6.9768 6.9768 8.8217 8.8217 8.8879 8.8879 9.4344 9.4344 k = 0.2069 0.2394-0.0286 ( 5894 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3817 -20.3817 -20.3452 -20.3452 -12.1139 -12.1139 -11.9368 -11.9368 -7.3617 -7.3617 -7.2611 -7.2611 -4.8912 -4.8912 -4.6004 -4.6004 -1.2896 -1.2896 -1.1362 -1.1362 -0.7713 -0.7713 -0.2388 -0.2388 -0.0118 -0.0118 0.3056 0.3056 0.4021 0.4021 0.4624 0.4624 7.0615 7.0615 8.8023 8.8023 8.9402 8.9402 9.4764 9.4764 k = 0.2184 0.2527-0.0301 ( 5891 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3802 -20.3802 -20.3464 -20.3464 -12.1139 -12.1139 -11.9409 -11.9409 -7.3546 -7.3546 -7.2623 -7.2623 -4.8784 -4.8784 -4.5945 -4.5945 -1.2780 -1.2780 -1.1437 -1.1437 -0.7846 -0.7846 -0.2551 -0.2551 -0.0384 -0.0384 0.3012 0.3012 0.3986 0.3986 0.4616 0.4616 7.1478 7.1478 8.7810 8.7810 8.9930 8.9930 9.5185 9.5185 k = 0.2298 0.2660-0.0317 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3787 -20.3787 -20.3477 -20.3477 -12.1142 -12.1142 -11.9449 -11.9449 -7.3473 -7.3473 -7.2634 -7.2634 -4.8656 -4.8656 -4.5884 -4.5884 -1.2658 -1.2658 -1.1513 -1.1513 -0.8056 -0.8056 -0.2630 -0.2630 -0.0656 -0.0656 0.2967 0.2967 0.3953 0.3953 0.4609 0.4609 7.2354 7.2354 8.7579 8.7579 9.0460 9.0460 9.5606 9.5606 k = 0.2413 0.2793-0.0333 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3773 -20.3773 -20.3489 -20.3489 -12.1148 -12.1148 -11.9484 -11.9484 -7.3400 -7.3400 -7.2644 -7.2644 -4.8527 -4.8527 -4.5823 -4.5823 -1.2530 -1.2530 -1.1589 -1.1589 -0.8339 -0.8339 -0.2632 -0.2632 -0.0930 -0.0930 0.2922 0.2922 0.3924 0.3924 0.4603 0.4603 7.3241 7.3241 8.7329 8.7329 9.0987 9.0987 9.6028 9.6028 k = 0.2528 0.2926-0.0349 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3758 -20.3758 -20.3502 -20.3502 -12.1158 -12.1158 -11.9517 -11.9517 -7.3326 -7.3326 -7.2653 -7.2653 -4.8400 -4.8400 -4.5761 -4.5761 -1.2397 -1.2397 -1.1665 -1.1665 -0.8683 -0.8683 -0.2569 -0.2569 -0.1202 -0.1202 0.2877 0.2877 0.3898 0.3898 0.4597 0.4597 7.4136 7.4136 8.7058 8.7058 9.1507 9.1507 9.6449 9.6449 k = 0.2643 0.3059-0.0365 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3743 -20.3743 -20.3514 -20.3514 -12.1171 -12.1171 -11.9545 -11.9545 -7.3251 -7.3251 -7.2661 -7.2661 -4.8274 -4.8274 -4.5699 -4.5699 -1.2259 -1.2259 -1.1740 -1.1740 -0.9073 -0.9073 -0.2467 -0.2467 -0.1461 -0.1461 0.2832 0.2832 0.3875 0.3875 0.4593 0.4593 7.5037 7.5037 8.6767 8.6767 9.2015 9.2015 9.6872 9.6872 k = 0.2758 0.3192-0.0381 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3728 -20.3728 -20.3527 -20.3527 -12.1188 -12.1188 -11.9570 -11.9570 -7.3177 -7.3177 -7.2669 -7.2669 -4.8149 -4.8149 -4.5637 -4.5637 -1.2115 -1.2115 -1.1816 -1.1816 -0.9494 -0.9494 -0.2372 -0.2372 -0.1671 -0.1671 0.2787 0.2787 0.3857 0.3857 0.4590 0.4590 7.5942 7.5942 8.6455 8.6455 9.2506 9.2506 9.7296 9.7296 k = 0.2873 0.3325-0.0397 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3713 -20.3713 -20.3539 -20.3539 -12.1208 -12.1208 -11.9590 -11.9590 -7.3104 -7.3104 -7.2674 -7.2674 -4.8028 -4.8028 -4.5576 -4.5576 -1.1970 -1.1970 -1.1889 -1.1889 -0.9934 -0.9934 -0.2397 -0.2397 -0.1733 -0.1733 0.2742 0.2742 0.3843 0.3843 0.4587 0.4587 7.6847 7.6847 8.6125 8.6125 9.2978 9.2978 9.7721 9.7721 k = 0.2988 0.3458-0.0412 ( 5894 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3699 -20.3699 -20.3551 -20.3551 -12.1231 -12.1231 -11.9607 -11.9607 -7.3031 -7.3031 -7.2679 -7.2679 -4.7909 -4.7909 -4.5515 -4.5515 -1.1971 -1.1971 -1.1812 -1.1812 -1.0380 -1.0380 -0.2584 -0.2584 -0.1613 -0.1613 0.2698 0.2698 0.3834 0.3834 0.4587 0.4587 7.7751 7.7751 8.5778 8.5778 9.3424 9.3424 9.8148 9.8148 k = 0.3103 0.3591-0.0428 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3685 -20.3685 -20.3563 -20.3563 -12.1257 -12.1257 -11.9619 -11.9619 -7.2960 -7.2960 -7.2682 -7.2682 -4.7794 -4.7794 -4.5456 -4.5456 -1.2052 -1.2052 -1.1659 -1.1659 -1.0820 -1.0820 -0.2841 -0.2841 -0.1410 -0.1410 0.2654 0.2654 0.3830 0.3830 0.4588 0.4588 7.8651 7.8651 8.5417 8.5417 9.3843 9.3843 9.8576 9.8576 k = 0.3218 0.3724-0.0444 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3671 -20.3671 -20.3574 -20.3574 -12.1285 -12.1285 -11.9629 -11.9629 -7.2890 -7.2890 -7.2684 -7.2684 -4.7683 -4.7683 -4.5398 -4.5398 -1.2145 -1.2145 -1.1510 -1.1510 -1.1232 -1.1232 -0.3120 -0.3120 -0.1179 -0.1179 0.2611 0.2611 0.3831 0.3831 0.4592 0.4592 7.9540 7.9540 8.5048 8.5048 9.4231 9.4231 9.9004 9.9004 k = 0.3333 0.3856-0.0460 ( 5888 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3658 -20.3658 -20.3585 -20.3585 -12.1315 -12.1315 -11.9635 -11.9635 -7.2822 -7.2822 -7.2685 -7.2685 -4.7576 -4.7576 -4.5342 -4.5342 -1.2272 -1.2272 -1.1640 -1.1640 -1.1316 -1.1316 -0.3405 -0.3405 -0.0941 -0.0941 0.2568 0.2568 0.3838 0.3838 0.4599 0.4599 8.0413 8.0413 8.4678 8.4678 9.4586 9.4586 9.9433 9.9433 k = 0.3448 0.3989-0.0476 ( 5886 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3645 -20.3645 -20.3596 -20.3596 -12.1346 -12.1346 -11.9639 -11.9639 -7.2756 -7.2756 -7.2684 -7.2684 -4.7474 -4.7474 -4.5287 -4.5287 -1.2481 -1.2481 -1.1911 -1.1911 -1.1159 -1.1159 -0.3691 -0.3691 -0.0706 -0.0706 0.2527 0.2527 0.3850 0.3850 0.4609 0.4609 8.1255 8.1255 8.4326 8.4326 9.4907 9.4907 9.9861 9.9861 k = 0.3563 0.4122-0.0492 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3632 -20.3632 -20.3606 -20.3606 -12.1377 -12.1377 -11.9641 -11.9641 -7.2694 -7.2694 -7.2682 -7.2682 -4.7377 -4.7377 -4.5236 -4.5236 -1.2786 -1.2786 -1.2071 -1.2071 -1.0995 -1.0995 -0.3973 -0.3973 -0.0479 -0.0479 0.2486 0.2486 0.3867 0.3867 0.4625 0.4625 8.2020 8.2020 8.4037 8.4037 9.5194 9.5194 10.0289 10.0289 k = 0.3678 0.4255-0.0508 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3621 -20.3621 -20.3616 -20.3616 -12.1408 -12.1408 -11.9641 -11.9641 -7.2680 -7.2680 -7.2634 -7.2634 -4.7286 -4.7286 -4.5186 -4.5186 -1.3134 -1.3134 -1.2167 -1.2167 -1.0831 -1.0831 -0.4250 -0.4250 -0.0266 -0.0266 0.2448 0.2448 0.3888 0.3888 0.4646 0.4646 8.2550 8.2550 8.3973 8.3973 9.5446 9.5446 10.0714 10.0714 k = 0.3793 0.4388-0.0524 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3624 -20.3624 -20.3610 -20.3610 -12.1438 -12.1438 -11.9640 -11.9640 -7.2677 -7.2677 -7.2577 -7.2577 -4.7200 -4.7200 -4.5139 -4.5139 -1.3483 -1.3483 -1.2235 -1.2235 -1.0668 -1.0668 -0.4519 -0.4519 -0.0070 -0.0070 0.2410 0.2410 0.3911 0.3911 0.4673 0.4673 8.2601 8.2601 8.4379 8.4379 9.5666 9.5666 10.1136 10.1136 k = 0.3907 0.4521-0.0539 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3633 -20.3633 -20.3600 -20.3600 -12.1467 -12.1467 -11.9638 -11.9638 -7.2672 -7.2672 -7.2524 -7.2524 -4.7120 -4.7120 -4.5096 -4.5096 -1.3818 -1.3818 -1.2289 -1.2289 -1.0509 -1.0509 -0.4777 -0.4777 0.0107 0.0107 0.2375 0.2375 0.3935 0.3935 0.4708 0.4708 8.2370 8.2370 8.5061 8.5061 9.5855 9.5855 10.1554 10.1554 k = 0.4022 0.4654-0.0555 ( 5885 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3640 -20.3640 -20.3590 -20.3590 -12.1495 -12.1495 -11.9636 -11.9636 -7.2667 -7.2667 -7.2474 -7.2474 -4.7046 -4.7046 -4.5056 -4.5056 -1.4132 -1.4132 -1.2333 -1.2333 -1.0357 -1.0357 -0.5021 -0.5021 0.0262 0.0262 0.2341 0.2341 0.3958 0.3958 0.4749 0.4749 8.2070 8.2070 8.5805 8.5805 9.6015 9.6015 10.1961 10.1961 k = 0.4137 0.4787-0.0571 ( 5902 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3647 -20.3647 -20.3582 -20.3582 -12.1521 -12.1521 -11.9633 -11.9633 -7.2661 -7.2661 -7.2429 -7.2429 -4.6978 -4.6978 -4.5020 -4.5020 -1.4422 -1.4422 -1.2370 -1.2370 -1.0215 -1.0215 -0.5247 -0.5247 0.0396 0.0396 0.2310 0.2310 0.3980 0.3980 0.4795 0.4795 8.1765 8.1765 8.6547 8.6547 9.6150 9.6150 10.1860 10.1860 k = 0.4252 0.4920-0.0587 ( 5911 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3654 -20.3654 -20.3574 -20.3574 -12.1544 -12.1544 -11.9631 -11.9631 -7.2655 -7.2655 -7.2389 -7.2389 -4.6917 -4.6917 -4.4987 -4.4987 -1.4684 -1.4684 -1.2401 -1.2401 -1.0087 -1.0087 -0.5451 -0.5451 0.0508 0.0508 0.2281 0.2281 0.3998 0.3998 0.4846 0.4846 8.1476 8.1476 8.7265 8.7265 9.6262 9.6262 10.1338 10.1338 k = 0.4367 0.5053-0.0603 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3659 -20.3659 -20.3568 -20.3568 -12.1564 -12.1564 -11.9629 -11.9629 -7.2648 -7.2648 -7.2352 -7.2352 -4.6863 -4.6863 -4.4957 -4.4957 -1.4918 -1.4918 -1.2426 -1.2426 -0.9977 -0.9977 -0.5627 -0.5627 0.0599 0.0599 0.2254 0.2254 0.4014 0.4014 0.4898 0.4898 8.1215 8.1215 8.7942 8.7942 9.6354 9.6354 10.0829 10.0829 k = 0.4367 0.5053-0.0603 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3659 -20.3659 -20.3568 -20.3568 -12.1564 -12.1564 -11.9629 -11.9629 -7.2648 -7.2648 -7.2352 -7.2352 -4.6863 -4.6863 -4.4957 -4.4957 -1.4918 -1.4918 -1.2426 -1.2426 -0.9977 -0.9977 -0.5627 -0.5627 0.0599 0.0599 0.2254 0.2254 0.4014 0.4014 0.4898 0.4898 8.1215 8.1215 8.7942 8.7942 9.6354 9.6354 10.0829 10.0829 k = 0.4385 0.5074-0.0426 ( 5904 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3656 -20.3656 -20.3565 -20.3565 -12.1544 -12.1544 -11.9604 -11.9604 -7.2677 -7.2677 -7.2372 -7.2372 -4.6898 -4.6898 -4.4954 -4.4954 -1.4945 -1.4945 -1.2385 -1.2385 -0.9938 -0.9938 -0.5634 -0.5634 0.0598 0.0598 0.2285 0.2285 0.3896 0.3896 0.4813 0.4813 8.1381 8.1381 8.8103 8.8103 9.6297 9.6297 10.0841 10.0841 k = 0.4404 0.5095-0.0250 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3653 -20.3653 -20.3561 -20.3561 -12.1517 -12.1517 -11.9574 -11.9574 -7.2709 -7.2709 -7.2394 -7.2394 -4.6938 -4.6938 -4.4947 -4.4947 -1.5005 -1.5005 -1.2317 -1.2317 -0.9942 -0.9942 -0.5593 -0.5593 0.0582 0.0582 0.2317 0.2317 0.3751 0.3751 0.4700 0.4700 8.1602 8.1602 8.8314 8.8314 9.6229 9.6229 10.0834 10.0834 k = 0.4422 0.5116-0.0073 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3649 -20.3649 -20.3557 -20.3557 -12.1484 -12.1484 -11.9539 -11.9539 -7.2746 -7.2746 -7.2421 -7.2421 -4.6982 -4.6982 -4.4940 -4.4940 -1.5097 -1.5097 -1.2224 -1.2224 -0.9988 -0.9988 -0.5506 -0.5506 0.0547 0.0547 0.2349 0.2349 0.3585 0.3585 0.4561 0.4561 8.1873 8.1873 8.8565 8.8565 9.6149 9.6149 10.0793 10.0793 k = 0.4440 0.5138 0.0103 ( 5909 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3644 -20.3644 -20.3552 -20.3552 -12.1444 -12.1444 -11.9498 -11.9498 -7.2786 -7.2786 -7.2450 -7.2450 -4.7032 -4.7032 -4.4929 -4.4929 -1.5216 -1.5216 -1.2109 -1.2109 -1.0073 -1.0073 -0.5375 -0.5375 0.0490 0.0490 0.2374 0.2374 0.3407 0.3407 0.4403 0.4403 8.2191 8.2191 8.8848 8.8848 9.6055 9.6055 10.0698 10.0698 k = 0.4458 0.5159 0.0280 ( 5907 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3638 -20.3638 -20.3547 -20.3547 -12.1397 -12.1397 -11.9453 -11.9453 -7.2829 -7.2829 -7.2482 -7.2482 -4.7086 -4.7086 -4.4917 -4.4917 -1.5358 -1.5358 -1.1976 -1.1976 -1.0190 -1.0190 -0.5207 -0.5207 0.0405 0.0405 0.2382 0.2382 0.3232 0.3232 0.4231 0.4231 8.2549 8.2549 8.9153 8.9153 9.5945 9.5945 10.0533 10.0533 k = 0.4476 0.5180 0.0456 ( 5903 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3631 -20.3631 -20.3540 -20.3540 -12.1345 -12.1345 -11.9402 -11.9402 -7.2876 -7.2876 -7.2518 -7.2518 -4.7145 -4.7145 -4.4903 -4.4903 -1.5521 -1.5521 -1.1829 -1.1829 -1.0334 -1.0334 -0.5007 -0.5007 0.0286 0.0286 0.2352 0.2352 0.3086 0.3086 0.4053 0.4053 8.2940 8.2940 8.9463 8.9463 9.5817 9.5817 10.0290 10.0290 k = 0.4495 0.5201 0.0632 ( 5903 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3624 -20.3624 -20.3533 -20.3533 -12.1287 -12.1287 -11.9347 -11.9347 -7.2925 -7.2925 -7.2556 -7.2556 -4.7209 -4.7209 -4.4887 -4.4887 -1.5700 -1.5700 -1.1671 -1.1671 -1.0500 -1.0500 -0.4781 -0.4781 0.0128 0.0128 0.2255 0.2255 0.2999 0.2999 0.3876 0.3876 8.3357 8.3357 8.9764 8.9764 9.5669 9.5669 9.9974 9.9974 k = 0.4513 0.5222 0.0809 ( 5907 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1226 -39.1226 -39.0959 -39.0959 -20.3616 -20.3616 -20.3525 -20.3525 -12.1223 -12.1223 -11.9288 -11.9288 -7.2978 -7.2978 -7.2597 -7.2597 -4.7277 -4.7277 -4.4869 -4.4869 -1.5895 -1.5895 -1.1505 -1.1505 -1.0681 -1.0681 -0.4535 -0.4535 -0.0074 -0.0074 0.2086 0.2086 0.2978 0.2978 0.3710 0.3710 8.3793 8.3793 9.0035 9.0035 9.5499 9.5499 9.9604 9.9604 k = 0.4531 0.5243 0.0985 ( 5905 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1226 -39.1226 -39.0959 -39.0959 -20.3607 -20.3607 -20.3517 -20.3517 -12.1154 -12.1154 -11.9224 -11.9224 -7.3033 -7.3033 -7.2640 -7.2640 -4.7350 -4.7350 -4.4849 -4.4849 -1.6102 -1.6102 -1.1334 -1.1334 -1.0873 -1.0873 -0.4273 -0.4273 -0.0320 -0.0320 0.1866 0.1866 0.3003 0.3003 0.3562 0.3562 8.4241 8.4241 9.0256 9.0256 9.5306 9.5306 9.9208 9.9208 k = 0.4549 0.5264 0.1162 ( 5905 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3597 -20.3597 -20.3508 -20.3508 -12.1079 -12.1079 -11.9156 -11.9156 -7.3091 -7.3091 -7.2685 -7.2685 -4.7427 -4.7427 -4.4828 -4.4828 -1.6320 -1.6320 -1.1169 -1.1169 -1.1064 -1.1064 -0.3999 -0.3999 -0.0609 -0.0609 0.1614 0.1614 0.3053 0.3053 0.3438 0.3438 8.4691 8.4691 9.0402 9.0402 9.5088 9.5088 9.8818 9.8818 k = 0.4567 0.5285 0.1338 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3587 -20.3587 -20.3499 -20.3499 -12.1000 -12.1000 -11.9084 -11.9084 -7.3151 -7.3151 -7.2733 -7.2733 -4.7509 -4.7509 -4.4806 -4.4806 -1.6548 -1.6548 -1.1289 -1.1289 -1.0973 -1.0973 -0.3717 -0.3717 -0.0936 -0.0936 0.1341 0.1341 0.3116 0.3116 0.3343 0.3343 8.5136 8.5136 9.0452 9.0452 9.4844 9.4844 9.8465 9.8465 k = 0.4585 0.5306 0.1515 ( 5904 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1228 -39.1228 -39.0959 -39.0959 -20.3577 -20.3577 -20.3489 -20.3489 -12.0917 -12.0917 -11.9010 -11.9010 -7.3213 -7.3213 -7.2782 -7.2782 -4.7595 -4.7595 -4.4782 -4.4782 -1.6784 -1.6784 -1.1497 -1.1497 -1.0796 -1.0796 -0.3431 -0.3431 -0.1293 -0.1293 0.1053 0.1053 0.3177 0.3177 0.3284 0.3284 8.5567 8.5567 9.0390 9.0390 9.4572 9.4572 9.8175 9.8175 k = 0.4604 0.5327 0.1691 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1228 -39.1228 -39.0960 -39.0960 -20.3566 -20.3566 -20.3478 -20.3478 -12.0830 -12.0830 -11.8932 -11.8932 -7.3278 -7.3277 -7.2832 -7.2832 -4.7684 -4.7684 -4.4757 -4.4757 -1.7027 -1.7027 -1.1708 -1.1708 -1.0618 -1.0618 -0.3148 -0.3148 -0.1669 -0.1669 0.0754 0.0754 0.3191 0.3191 0.3303 0.3303 8.5973 8.5973 9.0214 9.0214 9.4273 9.4273 9.7962 9.7962 k = 0.4622 0.5348 0.1868 ( 5903 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1229 -39.1229 -39.0960 -39.0960 -20.3554 -20.3554 -20.3468 -20.3468 -12.0739 -12.0739 -11.8851 -11.8851 -7.3343 -7.3343 -7.2884 -7.2884 -4.7778 -4.7778 -4.4731 -4.4731 -1.7277 -1.7277 -1.1919 -1.1919 -1.0442 -1.0442 -0.2891 -0.2891 -0.2036 -0.2036 0.0451 0.0451 0.3174 0.3174 0.3378 0.3378 8.6339 8.6339 8.9937 8.9937 9.3947 9.3947 9.7830 9.7830 k = 0.4640 0.5369 0.2044 ( 5905 PWs) bands (ev): -72.4529 -72.4529 -39.3993 -39.3993 -39.1229 -39.1229 -39.0960 -39.0960 -20.3542 -20.3542 -20.3457 -20.3457 -12.0645 -12.0645 -11.8769 -11.8769 -7.3410 -7.3410 -7.2938 -7.2938 -4.7875 -4.7875 -4.4703 -4.4703 -1.7532 -1.7532 -1.2129 -1.2129 -1.0269 -1.0269 -0.2800 -0.2800 -0.2248 -0.2248 0.0147 0.0147 0.3165 0.3165 0.3464 0.3464 8.6637 8.6637 8.9597 8.9597 9.3595 9.3595 9.7770 9.7770 k = 0.4658 0.5390 0.2221 ( 5903 PWs) bands (ev): -72.4529 -72.4529 -39.3993 -39.3993 -39.1230 -39.1230 -39.0960 -39.0960 -20.3530 -20.3530 -20.3446 -20.3446 -12.0549 -12.0549 -11.8684 -11.8684 -7.3478 -7.3478 -7.2991 -7.2991 -4.7976 -4.7976 -4.4676 -4.4676 -1.7792 -1.7792 -1.2336 -1.2336 -1.0102 -1.0102 -0.3083 -0.3083 -0.2098 -0.2098 -0.0152 -0.0152 0.3167 0.3167 0.3554 0.3554 8.6816 8.6816 8.9266 8.9266 9.3218 9.3218 9.7768 9.7768 k = 0.4676 0.5411 0.2397 ( 5901 PWs) bands (ev): -72.4529 -72.4529 -39.3993 -39.3993 -39.1230 -39.1230 -39.0960 -39.0960 -20.3518 -20.3518 -20.3434 -20.3434 -12.0450 -12.0450 -11.8597 -11.8597 -7.3546 -7.3546 -7.3046 -7.3046 -4.8079 -4.8079 -4.4647 -4.4647 -1.8055 -1.8055 -1.2540 -1.2540 -0.9941 -0.9941 -0.3488 -0.3488 -0.1832 -0.1832 -0.0440 -0.0440 0.3180 0.3180 0.3646 0.3646 8.6794 8.6794 8.9045 8.9045 9.2819 9.2819 9.7807 9.7807 k = 0.4695 0.5432 0.2574 ( 5903 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1231 -39.1231 -39.0960 -39.0960 -20.3505 -20.3505 -20.3423 -20.3423 -12.0350 -12.0350 -11.8510 -11.8510 -7.3616 -7.3616 -7.3101 -7.3101 -4.8185 -4.8185 -4.4618 -4.4618 -1.8320 -1.8320 -1.2739 -1.2739 -0.9788 -0.9788 -0.3917 -0.3917 -0.1553 -0.1553 -0.0708 -0.0708 0.3199 0.3199 0.3737 0.3737 8.6515 8.6515 8.9010 8.9010 9.2400 9.2400 9.7874 9.7874 k = 0.4713 0.5453 0.2750 ( 5900 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1231 -39.1231 -39.0960 -39.0960 -20.3493 -20.3493 -20.3411 -20.3411 -12.0249 -12.0249 -11.8422 -11.8422 -7.3685 -7.3685 -7.3156 -7.3156 -4.8293 -4.8293 -4.4589 -4.4589 -1.8587 -1.8587 -1.2933 -1.2933 -0.9645 -0.9645 -0.4349 -0.4349 -0.1315 -0.1315 -0.0915 -0.0915 0.3225 0.3225 0.3829 0.3829 8.6033 8.6033 8.9125 8.9125 9.1965 9.1965 9.7958 9.7958 k = 0.4731 0.5474 0.2927 ( 5896 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1232 -39.1232 -39.0960 -39.0960 -20.3480 -20.3480 -20.3399 -20.3399 -12.0147 -12.0147 -11.8333 -11.8333 -7.3754 -7.3754 -7.3211 -7.3211 -4.8403 -4.8403 -4.4560 -4.4560 -1.8854 -1.8854 -1.3122 -1.3122 -0.9513 -0.9513 -0.4779 -0.4779 -0.1333 -0.1333 -0.0849 -0.0849 0.3256 0.3256 0.3920 0.3920 8.5435 8.5435 8.9314 8.9314 9.1517 9.1517 9.8050 9.8050 k = 0.4749 0.5495 0.3103 ( 5886 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1232 -39.1232 -39.0960 -39.0960 -20.3467 -20.3467 -20.3388 -20.3388 -12.0045 -12.0045 -11.8245 -11.8245 -7.3823 -7.3823 -7.3265 -7.3265 -4.8514 -4.8514 -4.4530 -4.4530 -1.9119 -1.9119 -1.3304 -1.3304 -0.9394 -0.9394 -0.5201 -0.5201 -0.1524 -0.1524 -0.0591 -0.0591 0.3289 0.3289 0.4008 0.4008 8.4781 8.4781 8.9532 8.9532 9.1059 9.1059 9.8147 9.8147 k = 0.4767 0.5516 0.3280 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3455 -20.3455 -20.3376 -20.3376 -11.9943 -11.9943 -11.8157 -11.8157 -7.3891 -7.3891 -7.3319 -7.3319 -4.8626 -4.8626 -4.4501 -4.4501 -1.9382 -1.9382 -1.3479 -1.3479 -0.9288 -0.9288 -0.5614 -0.5614 -0.1719 -0.1719 -0.0311 -0.0311 0.3324 0.3324 0.4094 0.4094 8.4104 8.4104 8.9753 8.9753 9.0596 9.0596 9.8243 9.8243 k = 0.4786 0.5538 0.3456 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3442 -20.3442 -20.3365 -20.3365 -11.9842 -11.9842 -11.8071 -11.8071 -7.3958 -7.3958 -7.3372 -7.3372 -4.8738 -4.8738 -4.4472 -4.4472 -1.9643 -1.9643 -1.3648 -1.3648 -0.9197 -0.9197 -0.6014 -0.6014 -0.1896 -0.1896 -0.0030 -0.0030 0.3361 0.3361 0.4177 0.4177 8.3421 8.3421 8.9962 8.9962 9.0139 9.0139 9.8336 9.8336 k = 0.4804 0.5559 0.3633 ( 5886 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1234 -39.1234 -39.0961 -39.0961 -20.3430 -20.3430 -20.3354 -20.3354 -11.9743 -11.9743 -11.7986 -11.7986 -7.4024 -7.4024 -7.3424 -7.3424 -4.8850 -4.8850 -4.4444 -4.4444 -1.9898 -1.9898 -1.3808 -1.3808 -0.9121 -0.9121 -0.6399 -0.6399 -0.2051 -0.2051 0.0248 0.0248 0.3398 0.3398 0.4256 0.4256 8.2744 8.2744 8.9662 8.9662 9.0183 9.0183 9.8426 9.8426 k = 0.4822 0.5580 0.3809 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3419 -20.3419 -20.3343 -20.3343 -11.9646 -11.9646 -11.7902 -11.7902 -7.4088 -7.4088 -7.3474 -7.3474 -4.8960 -4.8960 -4.4417 -4.4417 -2.0147 -2.0147 -1.3961 -1.3961 -0.9061 -0.9061 -0.6768 -0.6768 -0.2181 -0.2181 0.0519 0.0519 0.3434 0.3434 0.4331 0.4331 8.2082 8.2082 8.9207 8.9207 9.0376 9.0376 9.8512 9.8512 k = 0.4840 0.5601 0.3985 ( 5882 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3407 -20.3407 -20.3333 -20.3333 -11.9551 -11.9551 -11.7822 -11.7822 -7.4150 -7.4150 -7.3523 -7.3523 -4.9069 -4.9069 -4.4390 -4.4390 -2.0388 -2.0388 -1.4105 -1.4105 -0.9015 -0.9015 -0.7120 -0.7120 -0.2288 -0.2288 0.0783 0.0783 0.3470 0.3470 0.4401 0.4401 8.1441 8.1441 8.8759 8.8759 9.0556 9.0556 9.8592 9.8592 k = 0.4858 0.5622 0.4162 ( 5876 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3396 -20.3396 -20.3323 -20.3323 -11.9460 -11.9460 -11.7744 -11.7744 -7.4209 -7.4209 -7.3569 -7.3569 -4.9175 -4.9175 -4.4364 -4.4364 -2.0621 -2.0621 -1.4241 -1.4241 -0.8984 -0.8984 -0.7452 -0.7452 -0.2371 -0.2371 0.1037 0.1037 0.3505 0.3505 0.4465 0.4465 8.0826 8.0826 8.8325 8.8325 9.0722 9.0722 9.8667 9.8667 k = 0.4877 0.5643 0.4338 ( 5875 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3386 -20.3386 -20.3313 -20.3313 -11.9372 -11.9372 -11.7669 -11.7669 -7.4267 -7.4267 -7.3614 -7.3614 -4.9278 -4.9278 -4.4340 -4.4340 -2.0844 -2.0844 -1.4368 -1.4368 -0.8966 -0.8966 -0.7765 -0.7765 -0.2432 -0.2432 0.1282 0.1282 0.3539 0.3539 0.4523 0.4523 8.0240 8.0240 8.7906 8.7906 9.0875 9.0875 9.8736 9.8736 k = 0.4895 0.5664 0.4515 ( 5875 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3376 -20.3376 -20.3304 -20.3304 -11.9289 -11.9289 -11.7598 -11.7598 -7.4321 -7.4321 -7.3657 -7.3657 -4.9377 -4.9377 -4.4317 -4.4317 -2.1055 -2.1055 -1.4486 -1.4486 -0.8959 -0.8959 -0.8056 -0.8056 -0.2474 -0.2474 0.1515 0.1515 0.3571 0.3571 0.4574 0.4574 7.9687 7.9687 8.7507 8.7507 9.1014 9.1014 9.8799 9.8799 k = 0.4913 0.5685 0.4691 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3366 -20.3366 -20.3296 -20.3296 -11.9210 -11.9210 -11.7531 -11.7531 -7.4372 -7.4372 -7.3697 -7.3697 -4.9471 -4.9471 -4.4295 -4.4295 -2.1254 -2.1254 -1.4595 -1.4595 -0.8963 -0.8963 -0.8325 -0.8325 -0.2499 -0.2499 0.1735 0.1735 0.3602 0.3602 0.4619 0.4619 7.9169 7.9169 8.7130 8.7130 9.1140 9.1140 9.8857 9.8857 k = 0.4931 0.5706 0.4868 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3357 -20.3357 -20.3288 -20.3288 -11.9136 -11.9136 -11.7468 -11.7468 -7.4420 -7.4420 -7.3734 -7.3734 -4.9560 -4.9560 -4.4275 -4.4275 -2.1439 -2.1439 -1.4694 -1.4694 -0.8975 -0.8975 -0.8569 -0.8569 -0.2510 -0.2510 0.1942 0.1942 0.3631 0.3631 0.4657 0.4657 7.8689 7.8689 8.6778 8.6778 9.1253 9.1253 9.8909 9.8909 k = 0.4949 0.5727 0.5044 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3349 -20.3349 -20.3281 -20.3281 -11.9068 -11.9068 -11.7410 -11.7410 -7.4465 -7.4465 -7.3769 -7.3769 -4.9643 -4.9643 -4.4257 -4.4257 -2.1609 -2.1609 -1.4783 -1.4783 -0.8999 -0.8999 -0.8785 -0.8785 -0.2509 -0.2509 0.2134 0.2134 0.3659 0.3659 0.4689 0.4689 7.8249 7.8249 8.6453 8.6453 9.1355 9.1355 9.8954 9.8954 k = 0.4968 0.5748 0.5221 ( 5869 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3342 -20.3342 -20.3274 -20.3274 -11.9006 -11.9006 -11.7358 -11.7358 -7.4505 -7.4505 -7.3800 -7.3800 -4.9720 -4.9720 -4.4241 -4.4241 -2.1763 -2.1763 -1.4863 -1.4863 -0.9064 -0.9064 -0.8939 -0.8939 -0.2501 -0.2501 0.2309 0.2309 0.3685 0.3685 0.4713 0.4713 7.7851 7.7851 8.6157 8.6157 9.1445 9.1445 9.8994 9.8994 k = 0.4986 0.5769 0.5397 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3335 -20.3335 -20.3269 -20.3269 -11.8950 -11.8950 -11.7311 -11.7311 -7.4542 -7.4542 -7.3829 -7.3829 -4.9789 -4.9789 -4.4226 -4.4226 -2.1900 -2.1900 -1.4933 -1.4933 -0.9205 -0.9205 -0.8994 -0.8994 -0.2487 -0.2487 0.2465 0.2465 0.3711 0.3711 0.4731 0.4731 7.7497 7.7497 8.5893 8.5893 9.1524 9.1524 9.9027 9.9027 k = 0.5004 0.5790 0.5574 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3330 -20.3330 -20.3264 -20.3264 -11.8901 -11.8901 -11.7269 -11.7269 -7.4574 -7.4574 -7.3854 -7.3854 -4.9851 -4.9851 -4.4214 -4.4214 -2.2019 -2.2019 -1.4992 -1.4992 -0.9352 -0.9352 -0.9019 -0.9019 -0.2470 -0.2470 0.2602 0.2602 0.3735 0.3735 0.4743 0.4743 7.7187 7.7187 8.5661 8.5661 9.1593 9.1593 9.9054 9.9054 k = 0.5022 0.5811 0.5750 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3325 -20.3325 -20.3259 -20.3259 -11.8859 -11.8859 -11.7234 -11.7234 -7.4602 -7.4602 -7.3875 -7.3875 -4.9905 -4.9905 -4.4203 -4.4203 -2.2120 -2.2120 -1.5042 -1.5042 -0.9479 -0.9479 -0.9037 -0.9037 -0.2453 -0.2453 0.2718 0.2718 0.3758 0.3758 0.4750 0.4750 7.6922 7.6922 8.5464 8.5464 9.1652 9.1652 9.9074 9.9074 k = 0.5040 0.5832 0.5927 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3320 -20.3320 -20.3256 -20.3256 -11.8825 -11.8825 -11.7205 -11.7205 -7.4625 -7.4625 -7.3894 -7.3894 -4.9949 -4.9949 -4.4195 -4.4195 -2.2202 -2.2202 -1.5081 -1.5081 -0.9584 -0.9584 -0.9050 -0.9050 -0.2437 -0.2437 0.2812 0.2812 0.3779 0.3779 0.4754 0.4754 7.6705 7.6705 8.5302 8.5302 9.1701 9.1701 9.9088 9.9088 k = 0.5058 0.5853 0.6103 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3317 -20.3317 -20.3253 -20.3253 -11.8797 -11.8797 -11.7182 -11.7182 -7.4643 -7.4643 -7.3908 -7.3908 -4.9985 -4.9985 -4.4189 -4.4189 -2.2264 -2.2264 -1.5110 -1.5110 -0.9665 -0.9665 -0.9058 -0.9058 -0.2424 -0.2424 0.2882 0.2882 0.3797 0.3797 0.4756 0.4756 7.6535 7.6535 8.5176 8.5176 9.1742 9.1742 9.9094 9.9094 k = 0.5077 0.5874 0.6280 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3315 -20.3315 -20.3251 -20.3251 -11.8778 -11.8778 -11.7165 -11.7165 -7.4657 -7.4657 -7.3919 -7.3919 -5.0012 -5.0012 -4.4185 -4.4185 -2.2305 -2.2305 -1.5128 -1.5128 -0.9722 -0.9722 -0.9060 -0.9060 -0.2415 -0.2415 0.2930 0.2930 0.3808 0.3808 0.4758 0.4758 7.6413 7.6413 8.5088 8.5088 9.1773 9.1773 9.9094 9.9094 k = 0.5095 0.5895 0.6456 ( 5863 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8766 -11.8766 -11.7156 -11.7156 -7.4666 -7.4666 -7.3927 -7.3927 -5.0029 -5.0029 -4.4183 -4.4183 -2.2327 -2.2327 -1.5137 -1.5137 -0.9754 -0.9754 -0.9056 -0.9056 -0.2412 -0.2412 0.2956 0.2956 0.3813 0.3813 0.4760 0.4760 7.6339 7.6339 8.5037 8.5037 9.1797 9.1797 9.9086 9.9086 k = 0.5113 0.5916 0.6633 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8763 -11.8763 -11.7153 -11.7153 -7.4670 -7.4670 -7.3930 -7.3930 -5.0036 -5.0036 -4.4184 -4.4184 -2.2327 -2.2327 -1.5135 -1.5135 -0.9762 -0.9762 -0.9046 -0.9046 -0.2415 -0.2415 0.2959 0.2959 0.3808 0.3808 0.4764 0.4764 7.6315 7.6315 8.5024 8.5024 9.1811 9.1811 9.9072 9.9072 k = 0.5113 0.5916 0.6633 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8763 -11.8763 -11.7153 -11.7153 -7.4670 -7.4670 -7.3930 -7.3930 -5.0036 -5.0036 -4.4184 -4.4184 -2.2327 -2.2327 -1.5135 -1.5135 -0.9762 -0.9762 -0.9046 -0.9046 -0.2415 -0.2415 0.2959 0.2959 0.3808 0.3808 0.4764 0.4764 7.6315 7.6315 8.5024 8.5024 9.1811 9.1811 9.9072 9.9072 k = 0.5014 0.5801 0.6713 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3250 -20.3250 -11.8765 -11.8765 -11.7151 -11.7151 -7.4672 -7.4672 -7.3929 -7.3929 -5.0037 -5.0037 -4.4183 -4.4183 -2.2335 -2.2335 -1.5132 -1.5132 -0.9757 -0.9757 -0.9040 -0.9040 -0.2416 -0.2416 0.2963 0.2963 0.3819 0.3819 0.4765 0.4765 7.6309 7.6309 8.5014 8.5014 9.1757 9.1757 9.9071 9.9071 k = 0.4914 0.5686 0.6793 ( 5863 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8766 -11.8766 -11.7155 -11.7155 -7.4667 -7.4667 -7.3927 -7.3927 -5.0030 -5.0030 -4.4183 -4.4183 -2.2329 -2.2329 -1.5136 -1.5136 -0.9755 -0.9755 -0.9053 -0.9053 -0.2413 -0.2413 0.2957 0.2957 0.3814 0.3814 0.4761 0.4761 7.6333 7.6333 8.5032 8.5032 9.1790 9.1790 9.9084 9.9084 k = 0.4815 0.5571 0.6874 ( 5860 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8765 -11.8765 -11.7164 -11.7164 -7.4655 -7.4655 -7.3924 -7.3924 -5.0016 -5.0016 -4.4183 -4.4183 -2.2309 -2.2309 -1.5147 -1.5147 -0.9754 -0.9754 -0.9086 -0.9086 -0.2406 -0.2406 0.2942 0.2942 0.3793 0.3793 0.4751 0.4751 7.6386 7.6386 8.5080 8.5080 9.1907 9.1907 9.9109 9.9109 k = 0.4715 0.5456 0.6954 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3312 -20.3312 -20.3253 -20.3253 -11.8763 -11.8763 -11.7178 -11.7178 -7.4636 -7.4636 -7.3919 -7.3919 -4.9993 -4.9993 -4.4185 -4.4185 -2.2275 -2.2275 -1.5164 -1.5164 -0.9756 -0.9756 -0.9138 -0.9138 -0.2395 -0.2395 0.2918 0.2918 0.3757 0.3757 0.4736 0.4736 7.6469 7.6469 8.5156 8.5156 9.2108 9.2108 9.9147 9.9147 k = 0.4616 0.5341 0.7034 ( 5865 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3311 -20.3311 -20.3255 -20.3255 -11.8759 -11.8759 -11.7198 -11.7198 -7.4610 -7.4610 -7.3914 -7.3914 -4.9963 -4.9963 -4.4187 -4.4187 -2.2228 -2.2228 -1.5187 -1.5187 -0.9759 -0.9759 -0.9209 -0.9209 -0.2381 -0.2381 0.2883 0.2883 0.3706 0.3706 0.4716 0.4716 7.6583 7.6583 8.5261 8.5261 9.2390 9.2390 9.9197 9.9197 k = 0.4516 0.5226 0.7115 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3309 -20.3309 -20.3258 -20.3258 -11.8754 -11.8754 -11.7222 -11.7222 -7.4577 -7.4577 -7.3907 -7.3907 -4.9926 -4.9926 -4.4190 -4.4190 -2.2168 -2.2168 -1.5217 -1.5217 -0.9765 -0.9765 -0.9296 -0.9296 -0.2363 -0.2363 0.2839 0.2839 0.3639 0.3639 0.4690 0.4690 7.6730 7.6730 8.5395 8.5395 9.2748 9.2748 9.9257 9.9257 k = 0.4417 0.5111 0.7195 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3307 -20.3307 -20.3261 -20.3261 -11.8747 -11.8747 -11.7252 -11.7252 -7.4538 -7.4538 -7.3900 -7.3900 -4.9882 -4.9882 -4.4194 -4.4194 -2.2094 -2.2094 -1.5252 -1.5252 -0.9773 -0.9773 -0.9399 -0.9399 -0.2341 -0.2341 0.2785 0.2785 0.3559 0.3559 0.4660 0.4660 7.6912 7.6912 8.5559 8.5559 9.3179 9.3179 9.9327 9.9327 k = 0.4317 0.4996 0.7276 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3305 -20.3305 -20.3265 -20.3265 -11.8740 -11.8740 -11.7285 -11.7285 -7.4492 -7.4492 -7.3891 -7.3891 -4.9831 -4.9831 -4.4198 -4.4198 -2.2008 -2.2008 -1.5293 -1.5293 -0.9785 -0.9785 -0.9514 -0.9514 -0.2316 -0.2316 0.2719 0.2719 0.3465 0.3465 0.4624 0.4624 7.7131 7.7131 8.5751 8.5751 9.3675 9.3675 9.9404 9.9404 k = 0.4218 0.4881 0.7356 ( 5869 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3302 -20.3302 -20.3269 -20.3269 -11.8731 -11.8731 -11.7323 -11.7323 -7.4441 -7.4441 -7.3882 -7.3882 -4.9772 -4.9772 -4.4203 -4.4203 -2.1910 -2.1910 -1.5338 -1.5338 -0.9806 -0.9806 -0.9635 -0.9635 -0.2288 -0.2288 0.2640 0.2640 0.3362 0.3362 0.4583 0.4583 7.7390 7.7390 8.5974 8.5974 9.4229 9.4229 9.9487 9.9487 k = 0.4119 0.4766 0.7436 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3299 -20.3299 -20.3274 -20.3274 -11.8722 -11.8722 -11.7364 -11.7364 -7.4384 -7.4384 -7.3872 -7.3872 -4.9708 -4.9708 -4.4209 -4.4209 -2.1799 -2.1799 -1.5388 -1.5388 -0.9861 -0.9861 -0.9734 -0.9734 -0.2256 -0.2256 0.2548 0.2548 0.3249 0.3249 0.4537 0.4537 7.7690 7.7690 8.6225 8.6225 9.4834 9.4834 9.9573 9.9573 k = 0.4019 0.4651 0.7517 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3296 -20.3296 -20.3279 -20.3279 -11.8713 -11.8713 -11.7408 -11.7408 -7.4322 -7.4322 -7.3861 -7.3861 -4.9638 -4.9638 -4.4216 -4.4216 -2.1677 -2.1677 -1.5442 -1.5442 -0.9983 -0.9983 -0.9777 -0.9777 -0.2223 -0.2223 0.2439 0.2439 0.3132 0.3132 0.4487 0.4487 7.8033 7.8033 8.6506 8.6506 9.5477 9.5477 9.9657 9.9657 k = 0.3920 0.4535 0.7597 ( 5859 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3292 -20.3292 -20.3285 -20.3285 -11.8703 -11.8703 -11.7454 -11.7454 -7.4255 -7.4255 -7.3850 -7.3850 -4.9562 -4.9562 -4.4224 -4.4224 -2.1544 -2.1544 -1.5500 -1.5500 -1.0137 -1.0137 -0.9797 -0.9797 -0.2188 -0.2188 0.2313 0.2313 0.3013 0.3013 0.4433 0.4433 7.8420 7.8420 8.6816 8.6816 9.6145 9.6145 9.9734 9.9734 k = 0.3820 0.4420 0.7677 ( 5859 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3292 -20.3292 -20.3287 -20.3287 -11.8695 -11.8695 -11.7502 -11.7502 -7.4184 -7.4184 -7.3839 -7.3839 -4.9480 -4.9480 -4.4233 -4.4233 -2.1400 -2.1400 -1.5560 -1.5560 -1.0302 -1.0302 -0.9812 -0.9812 -0.2153 -0.2153 0.2167 0.2167 0.2894 0.2894 0.4374 0.4374 7.8852 7.8852 8.7155 8.7155 9.6819 9.6819 9.9796 9.9796 k = 0.3721 0.4305 0.7758 ( 5855 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3298 -20.3298 -20.3283 -20.3283 -11.8687 -11.8687 -11.7551 -11.7551 -7.4109 -7.4109 -7.3828 -7.3828 -4.9395 -4.9395 -4.4243 -4.4243 -2.1246 -2.1246 -1.5623 -1.5623 -1.0474 -1.0474 -0.9826 -0.9826 -0.2118 -0.2118 0.2004 0.2004 0.2779 0.2779 0.4312 0.4312 7.9330 7.9330 8.7523 8.7523 9.7471 9.7471 9.9833 9.9833 k = 0.3621 0.4190 0.7838 ( 5852 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1238 -39.1238 -39.0961 -39.0961 -20.3306 -20.3306 -20.3278 -20.3278 -11.8682 -11.8682 -11.7599 -11.7599 -7.4031 -7.4031 -7.3817 -7.3817 -4.9305 -4.9305 -4.4254 -4.4254 -2.1083 -2.1083 -1.5687 -1.5687 -1.0649 -1.0649 -0.9839 -0.9839 -0.2086 -0.2086 0.1825 0.1825 0.2667 0.2667 0.4247 0.4247 7.9853 7.9853 8.7918 8.7918 9.8055 9.8055 9.9835 9.9835 k = 0.3621 0.4190 0.7838 ( 5852 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1238 -39.1238 -39.0961 -39.0961 -20.3306 -20.3306 -20.3278 -20.3278 -11.8682 -11.8682 -11.7599 -11.7599 -7.4031 -7.4031 -7.3817 -7.3817 -4.9305 -4.9305 -4.4254 -4.4254 -2.1083 -2.1083 -1.5687 -1.5687 -1.0649 -1.0649 -0.9839 -0.9839 -0.2086 -0.2086 0.1825 0.1825 0.2667 0.2667 0.4247 0.4247 7.9853 7.9853 8.7918 8.7918 9.8055 9.8055 9.9835 9.9835 k = 0.3504 0.4055 0.7838 ( 5856 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3314 -20.3314 -20.3269 -20.3269 -11.8655 -11.8655 -11.7632 -11.7632 -7.3964 -7.3964 -7.3825 -7.3825 -4.9244 -4.9244 -4.4269 -4.4269 -2.0905 -2.0905 -1.5747 -1.5747 -1.0814 -1.0814 -0.9911 -0.9911 -0.2070 -0.2070 0.1603 0.1603 0.2565 0.2565 0.4202 0.4202 8.0331 8.0331 8.8296 8.8296 9.8661 9.8661 9.9716 9.9716 k = 0.3388 0.3920 0.7838 ( 5869 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3322 -20.3322 -20.3260 -20.3260 -11.8633 -11.8633 -11.7660 -11.7660 -7.3895 -7.3895 -7.3835 -7.3835 -4.9181 -4.9181 -4.4286 -4.4286 -2.0715 -2.0715 -1.5805 -1.5805 -1.0982 -1.0982 -0.9986 -0.9986 -0.2068 -0.2068 0.1374 0.1374 0.2466 0.2466 0.4156 0.4156 8.0858 8.0858 8.8705 8.8705 9.8904 9.8904 9.9656 9.9656 k = 0.3271 0.3785 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3331 -20.3331 -20.3250 -20.3250 -11.8616 -11.8616 -11.7683 -11.7683 -7.3846 -7.3846 -7.3825 -7.3825 -4.9115 -4.9115 -4.4304 -4.4304 -2.0514 -2.0514 -1.5860 -1.5860 -1.1153 -1.1153 -1.0062 -1.0062 -0.2086 -0.2086 0.1151 0.1151 0.2366 0.2366 0.4111 0.4111 8.1433 8.1433 8.9143 8.9143 9.8614 9.8614 9.9804 9.9804 k = 0.3154 0.3650 0.7838 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3341 -20.3341 -20.3240 -20.3240 -11.8607 -11.8607 -11.7698 -11.7698 -7.3858 -7.3858 -7.3752 -7.3752 -4.9048 -4.9048 -4.4324 -4.4324 -2.0304 -2.0304 -1.5912 -1.5912 -1.1325 -1.1325 -1.0141 -1.0141 -0.2134 -0.2134 0.0949 0.0949 0.2264 0.2264 0.4065 0.4065 8.2054 8.2054 8.9610 8.9610 9.8082 9.8082 9.9943 9.9943 k = 0.3037 0.3514 0.7838 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3350 -20.3350 -20.3230 -20.3230 -11.8607 -11.8607 -11.7704 -11.7704 -7.3871 -7.3871 -7.3679 -7.3679 -4.8978 -4.8978 -4.4344 -4.4344 -2.0086 -2.0086 -1.5961 -1.5961 -1.1499 -1.1499 -1.0220 -1.0220 -0.2220 -0.2220 0.0781 0.0781 0.2158 0.2158 0.4019 0.4019 8.2720 8.2720 9.0106 9.0106 9.7462 9.7462 10.0016 10.0016 k = 0.2920 0.3379 0.7838 ( 5884 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3361 -20.3361 -20.3219 -20.3219 -11.8617 -11.8617 -11.7699 -11.7699 -7.3885 -7.3885 -7.3605 -7.3605 -4.8907 -4.8907 -4.4366 -4.4366 -1.9862 -1.9862 -1.6006 -1.6006 -1.1674 -1.1674 -1.0302 -1.0302 -0.2354 -0.2354 0.0659 0.0659 0.2049 0.2049 0.3972 0.3972 8.3428 8.3428 9.0629 9.0629 9.6806 9.6806 10.0037 10.0037 k = 0.2804 0.3244 0.7838 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3371 -20.3371 -20.3208 -20.3208 -11.8636 -11.8636 -11.7684 -11.7684 -7.3900 -7.3900 -7.3531 -7.3531 -4.8835 -4.8835 -4.4389 -4.4389 -1.9632 -1.9632 -1.6048 -1.6048 -1.1849 -1.1849 -1.0384 -1.0384 -0.2538 -0.2538 0.0589 0.0589 0.1937 0.1937 0.3926 0.3926 8.4175 8.4175 9.1177 9.1177 9.6144 9.6144 10.0018 10.0018 k = 0.2687 0.3109 0.7838 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3381 -20.3381 -20.3197 -20.3197 -11.8665 -11.8665 -11.7660 -11.7660 -7.3916 -7.3916 -7.3457 -7.3457 -4.8761 -4.8761 -4.4412 -4.4412 -1.9399 -1.9399 -1.6085 -1.6085 -1.2023 -1.2023 -1.0467 -1.0467 -0.2771 -0.2771 0.0571 0.0571 0.1822 0.1822 0.3879 0.3879 8.4956 8.4956 9.1751 9.1751 9.5493 9.5493 9.9966 9.9966 k = 0.2570 0.2974 0.7838 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3392 -20.3392 -20.3186 -20.3186 -11.8702 -11.8702 -11.7627 -11.7627 -7.3933 -7.3933 -7.3383 -7.3383 -4.8687 -4.8687 -4.4436 -4.4436 -1.9163 -1.9163 -1.6119 -1.6119 -1.2197 -1.2197 -1.0550 -1.0550 -0.3047 -0.3047 0.0601 0.0601 0.1705 0.1705 0.3833 0.3833 8.5767 8.5767 9.2347 9.2347 9.4865 9.4865 9.9881 9.9881 k = 0.2453 0.2839 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3403 -20.3403 -20.3175 -20.3175 -11.8745 -11.8745 -11.7587 -11.7587 -7.3950 -7.3950 -7.3310 -7.3310 -4.8612 -4.8612 -4.4461 -4.4461 -1.8926 -1.8926 -1.6149 -1.6149 -1.2368 -1.2368 -1.0633 -1.0633 -0.3355 -0.3355 0.0671 0.0671 0.1586 0.1586 0.3787 0.3787 8.6600 8.6600 9.2965 9.2965 9.4273 9.4273 9.9763 9.9763 k = 0.2336 0.2703 0.7838 ( 5868 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3414 -20.3414 -20.3164 -20.3164 -11.8793 -11.8793 -11.7542 -11.7542 -7.3967 -7.3967 -7.3239 -7.3239 -4.8537 -4.8537 -4.4485 -4.4485 -1.8689 -1.8689 -1.6175 -1.6175 -1.2538 -1.2538 -1.0716 -1.0716 -0.3686 -0.3686 0.0773 0.0773 0.1468 0.1468 0.3741 0.3741 8.7441 8.7441 9.3601 9.3601 9.3732 9.3732 9.9611 9.9611 k = 0.2219 0.2568 0.7838 ( 5863 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3424 -20.3424 -20.3153 -20.3153 -11.8844 -11.8844 -11.7494 -11.7494 -7.3985 -7.3985 -7.3168 -7.3168 -4.8462 -4.8462 -4.4510 -4.4510 -1.8453 -1.8453 -1.6196 -1.6196 -1.2704 -1.2704 -1.0798 -1.0798 -0.4033 -0.4033 0.0896 0.0896 0.1352 0.1352 0.3695 0.3695 8.8270 8.8270 9.3258 9.3258 9.4258 9.4258 9.9423 9.9423 k = 0.2103 0.2433 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3435 -20.3435 -20.3142 -20.3142 -11.8897 -11.8897 -11.7442 -11.7442 -7.4003 -7.4003 -7.3099 -7.3099 -4.8388 -4.8388 -4.4534 -4.4534 -1.8220 -1.8220 -1.6215 -1.6215 -1.2866 -1.2866 -1.0879 -1.0879 -0.4390 -0.4390 0.1024 0.1024 0.1252 0.1252 0.3651 0.3651 8.9043 8.9043 9.2900 9.2900 9.4928 9.4928 9.9197 9.9197 k = 0.1986 0.2298 0.7838 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3445 -20.3445 -20.3132 -20.3132 -11.8951 -11.8951 -11.7389 -11.7389 -7.4022 -7.4022 -7.3033 -7.3033 -4.8315 -4.8315 -4.4558 -4.4558 -1.7989 -1.7989 -1.6229 -1.6229 -1.3025 -1.3025 -1.0959 -1.0959 -0.4749 -0.4749 0.1050 0.1050 0.1269 0.1269 0.3609 0.3609 8.9669 8.9669 9.2744 9.2744 9.5610 9.5610 9.8930 9.8930 k = 0.1869 0.2163 0.7838 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3455 -20.3455 -20.3121 -20.3121 -11.9006 -11.9006 -11.7336 -11.7336 -7.4040 -7.4040 -7.2969 -7.2969 -4.8243 -4.8243 -4.4582 -4.4582 -1.7763 -1.7763 -1.6240 -1.6240 -1.3179 -1.3179 -1.1037 -1.1037 -0.5108 -0.5108 0.0956 0.0956 0.1418 0.1418 0.3568 0.3568 9.0014 9.0014 9.2920 9.2920 9.6300 9.6300 9.8622 9.8622 k = 0.1752 0.2028 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3465 -20.3465 -20.3111 -20.3111 -11.9060 -11.9060 -11.7282 -11.7282 -7.4058 -7.4058 -7.2907 -7.2907 -4.8174 -4.8174 -4.4606 -4.4606 -1.7542 -1.7542 -1.6248 -1.6248 -1.3328 -1.3328 -1.1113 -1.1113 -0.5462 -0.5462 0.0845 0.0845 0.1592 0.1592 0.3531 0.3531 9.0049 9.0049 9.3454 9.3454 9.6997 9.6997 9.8273 9.8273 k = 0.1635 0.1892 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3475 -20.3475 -20.3101 -20.3101 -11.9112 -11.9112 -11.7230 -11.7230 -7.4075 -7.4075 -7.2848 -7.2848 -4.8106 -4.8106 -4.4628 -4.4628 -1.7326 -1.7326 -1.6252 -1.6252 -1.3471 -1.3471 -1.1187 -1.1187 -0.5808 -0.5808 0.0734 0.0734 0.1772 0.1772 0.3497 0.3497 8.9903 8.9903 9.4212 9.4212 9.7694 9.7694 9.7883 9.7883 k = 0.1519 0.1757 0.7838 ( 5860 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3484 -20.3484 -20.3092 -20.3092 -11.9163 -11.9163 -11.7178 -11.7178 -7.4092 -7.4092 -7.2793 -7.2793 -4.8041 -4.8041 -4.4650 -4.4650 -1.7117 -1.7117 -1.6254 -1.6254 -1.3609 -1.3609 -1.1257 -1.1257 -0.6143 -0.6143 0.0625 0.0625 0.1951 0.1951 0.3467 0.3467 8.9692 8.9692 9.5070 9.5070 9.7457 9.7457 9.8387 9.8387 k = 0.1402 0.1622 0.7838 ( 5853 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3493 -20.3493 -20.3083 -20.3083 -11.9212 -11.9212 -11.7128 -11.7128 -7.4108 -7.4108 -7.2740 -7.2740 -4.7978 -4.7978 -4.4670 -4.4670 -1.6915 -1.6915 -1.6254 -1.6254 -1.3741 -1.3741 -1.1325 -1.1325 -0.6465 -0.6465 0.0520 0.0520 0.2126 0.2126 0.3445 0.3445 8.9472 8.9472 9.5964 9.5964 9.7000 9.7000 9.9071 9.9071 k = 0.1285 0.1487 0.7838 ( 5854 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3501 -20.3501 -20.3075 -20.3075 -11.9259 -11.9259 -11.7081 -11.7081 -7.4124 -7.4124 -7.2691 -7.2691 -4.7919 -4.7919 -4.4690 -4.4690 -1.6722 -1.6722 -1.6250 -1.6250 -1.3867 -1.3867 -1.1389 -1.1389 -0.6772 -0.6772 0.0421 0.0421 0.2291 0.2291 0.3430 0.3430 8.9269 8.9269 9.6504 9.6504 9.6875 9.6875 9.9738 9.9738 k = 0.1168 0.1352 0.7838 ( 5850 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3509 -20.3509 -20.3067 -20.3067 -11.9302 -11.9302 -11.7037 -11.7037 -7.4138 -7.4138 -7.2646 -7.2646 -4.7864 -4.7864 -4.4708 -4.4708 -1.6538 -1.6538 -1.6244 -1.6244 -1.3986 -1.3986 -1.1449 -1.1449 -0.7060 -0.7060 0.0327 0.0327 0.2441 0.2441 0.3427 0.3427 8.9094 8.9094 9.6008 9.6008 9.7748 9.7748 10.0379 10.0379 k = 0.1051 0.1217 0.7838 ( 5850 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3516 -20.3516 -20.3060 -20.3060 -11.9342 -11.9342 -11.6995 -11.6995 -7.4152 -7.4152 -7.2604 -7.2604 -4.7813 -4.7813 -4.4725 -4.4725 -1.6371 -1.6371 -1.6228 -1.6228 -1.4100 -1.4100 -1.1505 -1.1505 -0.7329 -0.7329 0.0239 0.0239 0.2571 0.2571 0.3437 0.3437 8.8953 8.8953 9.5497 9.5497 9.8590 9.8590 10.0987 10.0987 k = 0.0935 0.1081 0.7838 ( 5846 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3522 -20.3522 -20.3054 -20.3054 -11.9379 -11.9379 -11.6957 -11.6957 -7.4164 -7.4164 -7.2566 -7.2566 -4.7766 -4.7766 -4.4741 -4.4741 -1.6271 -1.6271 -1.6152 -1.6152 -1.4208 -1.4208 -1.1557 -1.1557 -0.7576 -0.7576 0.0159 0.0159 0.2675 0.2675 0.3465 0.3465 8.8849 8.8849 9.4987 9.4987 9.9382 9.9382 10.1549 10.1549 k = 0.0818 0.0946 0.7838 ( 5844 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3528 -20.3528 -20.3048 -20.3048 -11.9412 -11.9412 -11.6923 -11.6923 -7.4176 -7.4176 -7.2533 -7.2533 -4.7724 -4.7724 -4.4754 -4.4754 -1.6249 -1.6249 -1.6009 -1.6009 -1.4310 -1.4310 -1.1603 -1.1603 -0.7800 -0.7800 0.0086 0.0086 0.2752 0.2752 0.3510 0.3510 8.8781 8.8781 9.4488 9.4488 10.0109 10.0109 10.2053 10.2053 k = 0.0701 0.0811 0.7838 ( 5844 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3533 -20.3533 -20.3043 -20.3043 -11.9441 -11.9441 -11.6893 -11.6893 -7.4186 -7.4186 -7.2504 -7.2504 -4.7687 -4.7687 -4.4767 -4.4767 -1.6239 -1.6239 -1.5863 -1.5863 -1.4407 -1.4407 -1.1645 -1.1645 -0.7998 -0.7998 0.0022 0.0022 0.2804 0.2804 0.3567 0.3567 8.8748 8.8748 9.4011 9.4011 10.0759 10.0759 10.2489 10.2489 k = 0.0584 0.0676 0.7838 ( 5837 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3537 -20.3537 -20.3038 -20.3038 -11.9465 -11.9465 -11.6867 -11.6867 -7.4194 -7.4194 -7.2479 -7.2479 -4.7656 -4.7656 -4.4777 -4.4777 -1.6232 -1.6232 -1.5726 -1.5726 -1.4498 -1.4498 -1.1681 -1.1681 -0.8169 -0.8169 -0.0033 -0.0033 0.2836 0.2836 0.3630 0.3630 8.8746 8.8746 9.3568 9.3568 10.1323 10.1323 10.2848 10.2848 k = 0.0467 0.0541 0.7838 ( 5833 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3541 -20.3541 -20.3035 -20.3035 -11.9486 -11.9486 -11.6846 -11.6846 -7.4201 -7.4201 -7.2458 -7.2458 -4.7629 -4.7629 -4.4786 -4.4786 -1.6226 -1.6226 -1.5601 -1.5601 -1.4584 -1.4584 -1.1711 -1.1711 -0.8311 -0.8311 -0.0079 -0.0079 0.2855 0.2855 0.3692 0.3692 8.8768 8.8768 9.3172 9.3172 10.1792 10.1792 10.3127 10.3127 k = 0.0350 0.0406 0.7838 ( 5837 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3543 -20.3543 -20.3032 -20.3032 -11.9502 -11.9502 -11.6829 -11.6829 -7.4207 -7.4207 -7.2442 -7.2442 -4.7609 -4.7609 -4.4793 -4.4793 -1.6221 -1.6221 -1.5490 -1.5490 -1.4663 -1.4663 -1.1735 -1.1735 -0.8424 -0.8424 -0.0115 -0.0115 0.2866 0.2866 0.3745 0.3745 8.8806 8.8806 9.2838 9.2838 10.2161 10.2161 10.3329 10.3329 k = 0.0234 0.0270 0.7838 ( 5836 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3546 -20.3546 -20.3030 -20.3030 -11.9513 -11.9513 -11.6817 -11.6817 -7.4211 -7.4211 -7.2431 -7.2431 -4.7594 -4.7594 -4.4798 -4.4798 -1.6218 -1.6218 -1.5397 -1.5397 -1.4731 -1.4731 -1.1753 -1.1753 -0.8505 -0.8505 -0.0141 -0.0141 0.2871 0.2871 0.3786 0.3786 8.8848 8.8848 9.2582 9.2582 10.2426 10.2426 10.3462 10.3462 k = 0.0117 0.0135 0.7838 ( 5844 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3547 -20.3547 -20.3029 -20.3029 -11.9520 -11.9520 -11.6809 -11.6809 -7.4213 -7.4213 -7.2424 -7.2424 -4.7585 -4.7585 -4.4801 -4.4801 -1.6216 -1.6216 -1.5332 -1.5332 -1.4782 -1.4782 -1.1763 -1.1763 -0.8554 -0.8554 -0.0156 -0.0156 0.2874 0.2874 0.3811 0.3811 8.8880 8.8880 9.2419 9.2419 10.2586 10.2586 10.3537 10.3537 k = 0.0000 0.0000 0.7838 ( 5852 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3547 -20.3547 -20.3028 -20.3028 -11.9523 -11.9523 -11.6807 -11.6807 -7.4214 -7.4214 -7.2422 -7.2422 -4.7582 -4.7582 -4.4802 -4.4802 -1.6215 -1.6215 -1.5308 -1.5308 -1.4801 -1.4801 -1.1767 -1.1767 -0.8570 -0.8570 -0.0162 -0.0162 0.2874 0.2874 0.3820 0.3820 8.8892 8.8892 9.2363 9.2363 10.2640 10.2640 10.3561 10.3561 k = 0.0000 0.0000 0.7838 ( 5852 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3547 -20.3547 -20.3028 -20.3028 -11.9523 -11.9523 -11.6807 -11.6807 -7.4214 -7.4214 -7.2422 -7.2422 -4.7582 -4.7582 -4.4802 -4.4802 -1.6215 -1.6215 -1.5308 -1.5308 -1.4801 -1.4801 -1.1767 -1.1767 -0.8570 -0.8570 -0.0162 -0.0162 0.2874 0.2874 0.3820 0.3820 8.8892 8.8892 9.2363 9.2363 10.2640 10.2640 10.3561 10.3561 k = 0.0135-0.0117 0.7838 ( 5846 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3547 -20.3547 -20.3028 -20.3028 -11.9521 -11.9521 -11.6808 -11.6808 -7.4215 -7.4215 -7.2424 -7.2424 -4.7584 -4.7584 -4.4804 -4.4804 -1.6248 -1.6248 -1.5299 -1.5299 -1.4788 -1.4788 -1.1754 -1.1754 -0.8559 -0.8559 -0.0153 -0.0153 0.2875 0.2875 0.3820 0.3820 8.8861 8.8861 9.2368 9.2368 10.2574 10.2574 10.3554 10.3554 k = 0.0270-0.0234 0.7838 ( 5844 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3546 -20.3546 -20.3030 -20.3030 -11.9517 -11.9517 -11.6809 -11.6809 -7.4218 -7.4218 -7.2432 -7.2432 -4.7590 -4.7590 -4.4811 -4.4811 -1.6343 -1.6343 -1.5270 -1.5270 -1.4753 -1.4753 -1.1715 -1.1715 -0.8525 -0.8525 -0.0126 -0.0126 0.2875 0.2875 0.3821 0.3821 8.8766 8.8766 9.2380 9.2380 10.2381 10.2381 10.3532 10.3532 k = 0.0405-0.0350 0.7838 ( 5854 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3544 -20.3544 -20.3032 -20.3032 -11.9511 -11.9511 -11.6813 -11.6813 -7.4223 -7.4223 -7.2444 -7.2444 -4.7601 -4.7601 -4.4822 -4.4822 -1.6487 -1.6487 -1.5222 -1.5222 -1.4705 -1.4705 -1.1653 -1.1653 -0.8468 -0.8468 -0.0083 -0.0083 0.2877 0.2877 0.3821 0.3821 8.8611 8.8611 9.2399 9.2399 10.2068 10.2068 10.3499 10.3499 k = 0.0541-0.0467 0.7838 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3541 -20.3541 -20.3034 -20.3034 -11.9502 -11.9502 -11.6817 -11.6817 -7.4231 -7.4231 -7.2462 -7.2462 -4.7616 -4.7616 -4.4836 -4.4836 -1.6669 -1.6669 -1.5155 -1.5155 -1.4653 -1.4653 -1.1574 -1.1574 -0.8388 -0.8388 -0.0022 -0.0022 0.2878 0.2878 0.3822 0.3822 8.8397 8.8397 9.2426 9.2426 10.1646 10.1646 10.3459 10.3459 k = 0.0676-0.0584 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3538 -20.3538 -20.3037 -20.3037 -11.9490 -11.9490 -11.6822 -11.6822 -7.4239 -7.4239 -7.2484 -7.2484 -4.7637 -4.7637 -4.4853 -4.4853 -1.6879 -1.6879 -1.5069 -1.5069 -1.4604 -1.4604 -1.1481 -1.1481 -0.8284 -0.8284 0.0055 0.0055 0.2881 0.2881 0.3823 0.3823 8.8128 8.8128 9.2458 9.2458 10.1131 10.1131 10.3415 10.3415 k = 0.0811-0.0701 0.7838 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3534 -20.3534 -20.3041 -20.3041 -11.9476 -11.9476 -11.6829 -11.6829 -7.4250 -7.4250 -7.2510 -7.2510 -4.7663 -4.7663 -4.4871 -4.4871 -1.7109 -1.7109 -1.4965 -1.4965 -1.4559 -1.4559 -1.1379 -1.1379 -0.8156 -0.8156 0.0148 0.0148 0.2884 0.2884 0.3825 0.3825 8.7809 8.7809 9.2494 9.2494 10.0537 10.0537 10.3373 10.3373 k = 0.0946-0.0817 0.7838 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3529 -20.3529 -20.3046 -20.3046 -11.9459 -11.9459 -11.6836 -11.6836 -7.4262 -7.4262 -7.2541 -7.2541 -4.7696 -4.7696 -4.4890 -4.4890 -1.7352 -1.7352 -1.4845 -1.4845 -1.4520 -1.4520 -1.1274 -1.1274 -0.8004 -0.8004 0.0256 0.0256 0.2887 0.2887 0.3826 0.3826 8.7445 8.7445 9.2532 9.2532 9.9881 9.9881 10.3336 10.3336 k = 0.1081-0.0934 0.7838 ( 5860 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3523 -20.3523 -20.3051 -20.3051 -11.9441 -11.9441 -11.6845 -11.6845 -7.4276 -7.4276 -7.2577 -7.2577 -4.7735 -4.7735 -4.4907 -4.4907 -1.7604 -1.7604 -1.4712 -1.4712 -1.4484 -1.4484 -1.1167 -1.1167 -0.7830 -0.7830 0.0379 0.0379 0.2891 0.2891 0.3828 0.3828 8.7041 8.7041 9.2571 9.2571 9.9175 9.9175 10.3308 10.3308 k = 0.1216-0.1051 0.7838 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3517 -20.3517 -20.3057 -20.3057 -11.9420 -11.9420 -11.6854 -11.6854 -7.4292 -7.4292 -7.2616 -7.2616 -4.7783 -4.7783 -4.4923 -4.4923 -1.7861 -1.7861 -1.4582 -1.4582 -1.4437 -1.4437 -1.1062 -1.1062 -0.7636 -0.7636 0.0516 0.0516 0.2895 0.2895 0.3830 0.3830 8.6602 8.6602 9.2609 9.2609 9.8432 9.8432 10.3291 10.3291 k = 0.1351-0.1168 0.7838 ( 5868 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3511 -20.3511 -20.3063 -20.3063 -11.9397 -11.9397 -11.6865 -11.6865 -7.4309 -7.4309 -7.2659 -7.2659 -4.7839 -4.7839 -4.4934 -4.4934 -1.8122 -1.8122 -1.4503 -1.4503 -1.4332 -1.4332 -1.0960 -1.0960 -0.7422 -0.7422 0.0664 0.0664 0.2899 0.2899 0.3832 0.3832 8.6134 8.6134 9.2643 9.2643 9.7665 9.7665 10.3288 10.3288 k = 0.1486-0.1285 0.7838 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3503 -20.3503 -20.3070 -20.3070 -11.9372 -11.9372 -11.6876 -11.6876 -7.4327 -7.4327 -7.2706 -7.2706 -4.7903 -4.7903 -4.4941 -4.4941 -1.8383 -1.8383 -1.4478 -1.4478 -1.4167 -1.4167 -1.0861 -1.0861 -0.7193 -0.7193 0.0825 0.0825 0.2904 0.2904 0.3835 0.3835 8.5642 8.5642 9.2673 9.2673 9.6883 9.6883 10.3299 10.3299 k = 0.1622-0.1401 0.7838 ( 5876 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0962 -39.0962 -20.3496 -20.3496 -20.3077 -20.3077 -11.9346 -11.9346 -11.6888 -11.6888 -7.4345 -7.4345 -7.2756 -7.2756 -4.7976 -4.7976 -4.4943 -4.4943 -1.8642 -1.8642 -1.4472 -1.4472 -1.3978 -1.3978 -1.0764 -1.0764 -0.6950 -0.6950 0.0995 0.0995 0.2910 0.2910 0.3837 0.3837 8.5132 8.5132 9.2696 9.2696 9.6095 9.6095 10.3325 10.3325 k = 0.1757-0.1518 0.7838 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3488 -20.3488 -20.3085 -20.3085 -11.9318 -11.9318 -11.6901 -11.6901 -7.4365 -7.4365 -7.2809 -7.2809 -4.8057 -4.8057 -4.4939 -4.4939 -1.8899 -1.8899 -1.4474 -1.4474 -1.3776 -1.3776 -1.0669 -1.0669 -0.6697 -0.6697 0.1174 0.1174 0.2915 0.2915 0.3840 0.3840 8.4609 8.4609 9.2712 9.2712 9.5307 9.5307 10.3365 10.3365 k = 0.1892-0.1635 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3479 -20.3479 -20.3093 -20.3093 -11.9289 -11.9289 -11.6914 -11.6914 -7.4385 -7.4385 -7.2864 -7.2864 -4.8146 -4.8146 -4.4928 -4.4928 -1.9152 -1.9152 -1.4484 -1.4484 -1.3564 -1.3564 -1.0576 -1.0576 -0.6437 -0.6437 0.1361 0.1361 0.2921 0.2921 0.3843 0.3843 8.4077 8.4077 9.2719 9.2719 9.4527 9.4527 10.3415 10.3415 k = 0.2027-0.1752 0.7838 ( 5860 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3470 -20.3470 -20.3101 -20.3101 -11.9259 -11.9259 -11.6928 -11.6928 -7.4406 -7.4406 -7.2922 -7.2922 -4.8242 -4.8242 -4.4912 -4.4912 -1.9399 -1.9399 -1.4499 -1.4499 -1.3345 -1.3345 -1.0484 -1.0484 -0.6171 -0.6171 0.1553 0.1553 0.2928 0.2928 0.3846 0.3846 8.3540 8.3540 9.2716 9.2716 9.3760 9.3760 10.3472 10.3472 k = 0.2162-0.1869 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3461 -20.3461 -20.3110 -20.3110 -11.9228 -11.9228 -11.6942 -11.6942 -7.4427 -7.4427 -7.2981 -7.2981 -4.8345 -4.8345 -4.4889 -4.4889 -1.9640 -1.9640 -1.4520 -1.4520 -1.3119 -1.3119 -1.0392 -1.0392 -0.5903 -0.5903 0.1750 0.1750 0.2935 0.2935 0.3850 0.3850 8.3003 8.3003 9.2704 9.2704 9.3010 9.3010 10.3529 10.3529 k = 0.2297-0.1985 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3452 -20.3452 -20.3119 -20.3119 -11.9197 -11.9197 -11.6956 -11.6956 -7.4448 -7.4448 -7.3042 -7.3042 -4.8452 -4.8452 -4.4862 -4.4862 -1.9874 -1.9874 -1.4546 -1.4546 -1.2888 -1.2888 -1.0300 -1.0300 -0.5635 -0.5635 0.1949 0.1949 0.2943 0.2943 0.3853 0.3853 8.2471 8.2471 9.2282 9.2282 9.2682 9.2682 10.3577 10.3577 k = 0.2432-0.2102 0.7838 ( 5860 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3443 -20.3443 -20.3127 -20.3127 -11.9165 -11.9165 -11.6970 -11.6970 -7.4469 -7.4469 -7.3105 -7.3105 -4.8564 -4.8564 -4.4828 -4.4828 -2.0100 -2.0100 -1.4575 -1.4575 -1.2656 -1.2656 -1.0209 -1.0209 -0.5369 -0.5369 0.2148 0.2148 0.2953 0.2953 0.3857 0.3857 8.1945 8.1945 9.1580 9.1580 9.2651 9.2651 10.3608 10.3608 k = 0.2568-0.2219 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3433 -20.3433 -20.3136 -20.3136 -11.9133 -11.9133 -11.6985 -11.6985 -7.4489 -7.4489 -7.3168 -7.3168 -4.8678 -4.8678 -4.4791 -4.4791 -2.0317 -2.0317 -1.4609 -1.4609 -1.2422 -1.2422 -1.0117 -1.0117 -0.5107 -0.5107 0.2344 0.2344 0.2966 0.2966 0.3862 0.3862 8.1430 8.1430 9.0905 9.0905 9.2612 9.2612 10.3613 10.3613 k = 0.2703-0.2336 0.7838 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3424 -20.3424 -20.3145 -20.3145 -11.9101 -11.9101 -11.7000 -11.7000 -7.4510 -7.4510 -7.3231 -7.3231 -4.8794 -4.8794 -4.4750 -4.4750 -2.0526 -2.0526 -1.4645 -1.4645 -1.2189 -1.2189 -1.0026 -1.0026 -0.4850 -0.4850 0.2532 0.2532 0.2984 0.2984 0.3868 0.3868 8.0929 8.0929 9.0262 9.0262 9.2565 9.2565 10.3589 10.3589 k = 0.2838-0.2452 0.7838 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3415 -20.3415 -20.3154 -20.3154 -11.9069 -11.9069 -11.7014 -11.7014 -7.4529 -7.4529 -7.3294 -7.3294 -4.8910 -4.8910 -4.4707 -4.4707 -2.0725 -2.0725 -1.4683 -1.4683 -1.1958 -1.1958 -0.9935 -0.9935 -0.4600 -0.4600 0.2700 0.2700 0.3019 0.3019 0.3874 0.3874 8.0444 8.0444 8.9652 8.9652 9.2511 9.2511 10.3536 10.3536 k = 0.2973-0.2569 0.7838 ( 5876 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3405 -20.3405 -20.3163 -20.3163 -11.9037 -11.9037 -11.7028 -11.7028 -7.4547 -7.4547 -7.3356 -7.3356 -4.9025 -4.9025 -4.4661 -4.4661 -2.0913 -2.0913 -1.4723 -1.4723 -1.1731 -1.1731 -0.9846 -0.9846 -0.4359 -0.4359 0.2822 0.2822 0.3094 0.3094 0.3883 0.3883 7.9977 7.9977 8.9077 8.9077 9.2452 9.2452 10.3459 10.3459 k = 0.3108-0.2686 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3396 -20.3396 -20.3172 -20.3172 -11.9007 -11.9007 -11.7042 -11.7042 -7.4565 -7.4565 -7.3418 -7.3418 -4.9138 -4.9138 -4.4614 -4.4614 -2.1092 -2.1092 -1.4764 -1.4764 -1.1509 -1.1509 -0.9758 -0.9758 -0.4127 -0.4127 0.2884 0.2884 0.3220 0.3220 0.3895 0.3895 7.9531 7.9531 8.8538 8.8538 9.2390 9.2390 10.3364 10.3364 k = 0.3243-0.2803 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3387 -20.3387 -20.3180 -20.3180 -11.8977 -11.8977 -11.7055 -11.7055 -7.4581 -7.4581 -7.3478 -7.3478 -4.9248 -4.9248 -4.4566 -4.4566 -2.1259 -2.1259 -1.4805 -1.4805 -1.1295 -1.1295 -0.9672 -0.9672 -0.3907 -0.3907 0.2912 0.2912 0.3367 0.3367 0.3913 0.3913 7.9109 7.9109 8.8037 8.8037 9.2324 9.2324 10.3258 10.3258 k = 0.3378-0.2920 0.7838 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3378 -20.3378 -20.3189 -20.3189 -11.8949 -11.8949 -11.7068 -11.7068 -7.4596 -7.4596 -7.3536 -7.3536 -4.9355 -4.9355 -4.4519 -4.4519 -2.1415 -2.1415 -1.4846 -1.4846 -1.1089 -1.1089 -0.9589 -0.9589 -0.3698 -0.3698 0.2927 0.2927 0.3506 0.3506 0.3943 0.3943 7.8711 7.8711 8.7575 8.7575 9.2258 9.2258 10.3147 10.3147 k = 0.3514-0.3036 0.7838 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3370 -20.3370 -20.3197 -20.3197 -11.8921 -11.8921 -11.7080 -11.7080 -7.4610 -7.4610 -7.3591 -7.3591 -4.9456 -4.9456 -4.4473 -4.4473 -2.1560 -2.1560 -1.4886 -1.4886 -1.0894 -1.0894 -0.9510 -0.9510 -0.3503 -0.3503 0.2937 0.2937 0.3622 0.3622 0.3993 0.3993 7.8340 7.8340 8.7152 8.7152 9.2191 9.2191 10.3033 10.3033 k = 0.3649-0.3153 0.7838 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3362 -20.3362 -20.3204 -20.3204 -11.8896 -11.8896 -11.7092 -11.7092 -7.4622 -7.4622 -7.3644 -7.3644 -4.9550 -4.9550 -4.4428 -4.4428 -2.1693 -2.1693 -1.4925 -1.4925 -1.0710 -1.0710 -0.9435 -0.9435 -0.3321 -0.3321 0.2944 0.2944 0.3701 0.3701 0.4070 0.4070 7.7996 7.7996 8.6769 8.6769 9.2127 9.2127 10.2922 10.2922 k = 0.3784-0.3270 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3354 -20.3354 -20.3211 -20.3211 -11.8872 -11.8872 -11.7102 -11.7102 -7.4633 -7.4633 -7.3694 -7.3694 -4.9638 -4.9638 -4.4385 -4.4385 -2.1814 -2.1814 -1.4961 -1.4961 -1.0539 -1.0539 -0.9365 -0.9365 -0.3154 -0.3154 0.2949 0.2949 0.3748 0.3748 0.4169 0.4169 7.7682 7.7682 8.6425 8.6425 9.2064 9.2064 10.2392 10.2392 k = 0.3919-0.3387 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3347 -20.3347 -20.3218 -20.3218 -11.8851 -11.8851 -11.7112 -11.7112 -7.4642 -7.4642 -7.3740 -7.3740 -4.9719 -4.9719 -4.4346 -4.4346 -2.1923 -2.1923 -1.4995 -1.4995 -1.0383 -1.0383 -0.9300 -0.9300 -0.3002 -0.3002 0.2953 0.2953 0.3775 0.3775 0.4277 0.4277 7.7397 7.7397 8.6120 8.6120 9.2005 9.2005 10.1723 10.1723 k = 0.4054-0.3504 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3340 -20.3340 -20.3225 -20.3225 -11.8831 -11.8831 -11.7121 -11.7121 -7.4650 -7.4650 -7.3782 -7.3782 -4.9792 -4.9792 -4.4310 -4.4310 -2.2019 -2.2019 -1.5026 -1.5026 -1.0242 -1.0242 -0.9242 -0.9242 -0.2867 -0.2867 0.2956 0.2956 0.3791 0.3791 0.4382 0.4382 7.7144 7.7144 8.5854 8.5854 9.1951 9.1951 10.1121 10.1121 k = 0.4189-0.3620 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3334 -20.3334 -20.3231 -20.3231 -11.8814 -11.8814 -11.7128 -11.7128 -7.4656 -7.4656 -7.3820 -7.3820 -4.9856 -4.9856 -4.4277 -4.4277 -2.2103 -2.2103 -1.5053 -1.5053 -1.0117 -1.0117 -0.9190 -0.9190 -0.2749 -0.2749 0.2959 0.2959 0.3801 0.3801 0.4478 0.4478 7.6924 7.6924 8.5626 8.5626 9.1902 9.1902 10.0590 10.0590 k = 0.4324-0.3737 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3328 -20.3328 -20.3236 -20.3236 -11.8799 -11.8799 -11.7135 -11.7135 -7.4662 -7.4662 -7.3852 -7.3852 -4.9911 -4.9911 -4.4249 -4.4249 -2.2175 -2.2175 -1.5077 -1.5077 -1.0010 -1.0010 -0.9145 -0.9145 -0.2648 -0.2648 0.2961 0.2961 0.3808 0.3808 0.4563 0.4563 7.6736 7.6736 8.5435 8.5435 9.1859 9.1859 10.0134 10.0134 k = 0.4459-0.3854 0.7838 ( 5862 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3323 -20.3323 -20.3241 -20.3241 -11.8787 -11.8787 -11.7140 -11.7140 -7.4666 -7.4666 -7.3880 -7.3880 -4.9956 -4.9956 -4.4225 -4.4225 -2.2233 -2.2233 -1.5097 -1.5097 -0.9921 -0.9921 -0.9108 -0.9108 -0.2564 -0.2564 0.2963 0.2963 0.3813 0.3813 0.4635 0.4635 7.6581 7.6581 8.5281 8.5281 9.1824 9.1824 9.9756 9.9756 k = 0.4595-0.3971 0.7838 ( 5864 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3319 -20.3319 -20.3245 -20.3245 -11.8777 -11.8777 -11.7145 -11.7145 -7.4669 -7.4669 -7.3901 -7.3901 -4.9992 -4.9992 -4.4207 -4.4207 -2.2278 -2.2278 -1.5113 -1.5113 -0.9851 -0.9851 -0.9079 -0.9079 -0.2499 -0.2499 0.2964 0.2964 0.3816 0.3816 0.4691 0.4691 7.6460 7.6460 8.5161 8.5161 9.1795 9.1795 9.9459 9.9459 k = 0.4730-0.4087 0.7838 ( 5868 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3316 -20.3316 -20.3248 -20.3248 -11.8770 -11.8770 -11.7148 -11.7148 -7.4671 -7.4671 -7.3917 -7.3917 -5.0017 -5.0017 -4.4194 -4.4194 -2.2311 -2.2311 -1.5124 -1.5124 -0.9801 -0.9801 -0.9058 -0.9058 -0.2452 -0.2452 0.2965 0.2965 0.3818 0.3818 0.4732 0.4732 7.6374 7.6374 8.5077 8.5077 9.1775 9.1775 9.9245 9.9245 k = 0.4865-0.4204 0.7838 ( 5868 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3314 -20.3314 -20.3250 -20.3250 -11.8766 -11.8766 -11.7150 -11.7150 -7.4672 -7.4672 -7.3926 -7.3926 -5.0033 -5.0033 -4.4185 -4.4185 -2.2331 -2.2331 -1.5131 -1.5131 -0.9770 -0.9770 -0.9045 -0.9045 -0.2424 -0.2424 0.2965 0.2965 0.3820 0.3820 0.4757 0.4757 7.6322 7.6322 8.5027 8.5027 9.1762 9.1762 9.9115 9.9115 k = 0.5000-0.4321 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3250 -20.3250 -11.8764 -11.8764 -11.7150 -11.7150 -7.4672 -7.4672 -7.3930 -7.3930 -5.0038 -5.0038 -4.4183 -4.4183 -2.2337 -2.2337 -1.5134 -1.5134 -0.9760 -0.9760 -0.9041 -0.9041 -0.2415 -0.2415 0.2965 0.2965 0.3820 0.3820 0.4765 0.4765 7.6304 7.6304 8.5010 8.5010 9.1758 9.1758 9.9072 9.9072 k = 0.5000-0.4321 0.7838 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3250 -20.3250 -11.8764 -11.8764 -11.7150 -11.7150 -7.4672 -7.4672 -7.3930 -7.3930 -5.0038 -5.0038 -4.4183 -4.4183 -2.2337 -2.2337 -1.5134 -1.5134 -0.9760 -0.9760 -0.9041 -0.9041 -0.2415 -0.2415 0.2965 0.2965 0.3820 0.3820 0.4765 0.4765 7.6304 7.6304 8.5010 8.5010 9.1758 9.1758 9.9072 9.9072 k = 0.4887-0.4452 0.7838 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3313 -20.3313 -20.3251 -20.3251 -11.8763 -11.8763 -11.7153 -11.7153 -7.4670 -7.4670 -7.3930 -7.3930 -5.0036 -5.0036 -4.4184 -4.4184 -2.2327 -2.2327 -1.5135 -1.5135 -0.9762 -0.9762 -0.9046 -0.9046 -0.2415 -0.2415 0.2959 0.2959 0.3808 0.3808 0.4764 0.4764 7.6315 7.6315 8.5024 8.5024 9.1811 9.1811 9.9072 9.9072 k = 0.6379-0.2726 0.6633 ( 5852 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1238 -39.1238 -39.0961 -39.0961 -20.3306 -20.3306 -20.3278 -20.3278 -11.8682 -11.8682 -11.7599 -11.7599 -7.4031 -7.4031 -7.3817 -7.3817 -4.9305 -4.9305 -4.4254 -4.4254 -2.1083 -2.1083 -1.5687 -1.5687 -1.0649 -1.0649 -0.9839 -0.9839 -0.2086 -0.2086 0.1825 0.1825 0.2667 0.2667 0.4247 0.4247 7.9853 7.9853 8.7918 8.7918 9.8055 9.8055 9.9835 9.9835 k = 0.6361-0.2747 0.6456 ( 5858 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3308 -20.3308 -20.3285 -20.3285 -11.8733 -11.8733 -11.7637 -11.7637 -7.3988 -7.3988 -7.3776 -7.3776 -4.9222 -4.9222 -4.4252 -4.4252 -2.1055 -2.1055 -1.5701 -1.5701 -1.0699 -1.0699 -0.9710 -0.9710 -0.2060 -0.2060 0.1845 0.1845 0.2629 0.2629 0.4193 0.4193 8.0149 8.0149 8.8100 8.8100 9.7797 9.7797 9.9967 9.9967 k = 0.6342-0.2768 0.6280 ( 5869 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3311 -20.3311 -20.3292 -20.3292 -11.8791 -11.8791 -11.7681 -11.7681 -7.3942 -7.3942 -7.3732 -7.3732 -4.9133 -4.9133 -4.4252 -4.4252 -2.1007 -2.1007 -1.5706 -1.5706 -1.0742 -1.0742 -0.9555 -0.9555 -0.2034 -0.2034 0.1853 0.1853 0.2584 0.2584 0.4137 0.4137 8.0480 8.0480 8.8311 8.8311 9.7524 9.7524 10.0069 10.0069 k = 0.6324-0.2789 0.6103 ( 5873 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3314 -20.3314 -20.3301 -20.3301 -11.8856 -11.8856 -11.7729 -11.7729 -7.3894 -7.3894 -7.3687 -7.3687 -4.9039 -4.9039 -4.4255 -4.4255 -2.0942 -2.0942 -1.5700 -1.5700 -1.0776 -1.0776 -0.9376 -0.9376 -0.2004 -0.2004 0.1844 0.1844 0.2535 0.2535 0.4080 0.4080 8.0844 8.0844 8.8552 8.8552 9.7242 9.7242 10.0140 10.0140 k = 0.6306-0.2810 0.5927 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3318 -20.3318 -20.3310 -20.3310 -11.8927 -11.8927 -11.7782 -11.7782 -7.3843 -7.3843 -7.3639 -7.3639 -4.8941 -4.8941 -4.4261 -4.4261 -2.0859 -2.0859 -1.5684 -1.5684 -1.0802 -1.0802 -0.9171 -0.9171 -0.1971 -0.1971 0.1815 0.1815 0.2487 0.2487 0.4021 0.4021 8.1240 8.1240 8.8820 8.8820 9.6950 9.6950 10.0178 10.0178 k = 0.6288-0.2831 0.5750 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3324 -20.3324 -20.3320 -20.3320 -11.9004 -11.9004 -11.7839 -11.7839 -7.3790 -7.3790 -7.3589 -7.3589 -4.8840 -4.8840 -4.4269 -4.4269 -2.0761 -2.0761 -1.5659 -1.5659 -1.0822 -1.0822 -0.8943 -0.8943 -0.1931 -0.1931 0.1762 0.1762 0.2444 0.2444 0.3961 0.3961 8.1666 8.1666 8.9113 8.9113 9.6651 9.6651 10.0186 10.0186 k = 0.6270-0.2852 0.5574 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3330 -20.3330 -20.3329 -20.3329 -11.9085 -11.9085 -11.7900 -11.7900 -7.3735 -7.3735 -7.3537 -7.3537 -4.8735 -4.8735 -4.4279 -4.4279 -2.0647 -2.0647 -1.5623 -1.5623 -1.0835 -1.0835 -0.8692 -0.8692 -0.1885 -0.1885 0.1683 0.1683 0.2411 0.2411 0.3899 0.3899 8.2120 8.2120 8.9429 8.9429 9.6346 9.6346 10.0164 10.0164 k = 0.6251-0.2873 0.5397 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3341 -20.3341 -20.3336 -20.3336 -11.9172 -11.9172 -11.7964 -11.7964 -7.3678 -7.3678 -7.3484 -7.3484 -4.8629 -4.8629 -4.4292 -4.4292 -2.0519 -2.0519 -1.5577 -1.5577 -1.0844 -1.0844 -0.8418 -0.8418 -0.1829 -0.1829 0.1578 0.1578 0.2388 0.2388 0.3836 0.3836 8.2598 8.2598 8.9767 8.9767 9.6034 9.6034 10.0116 10.0116 k = 0.6233-0.2894 0.5221 ( 5868 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3353 -20.3353 -20.3343 -20.3343 -11.9263 -11.9263 -11.8032 -11.8032 -7.3620 -7.3620 -7.3430 -7.3430 -4.8521 -4.8521 -4.4307 -4.4307 -2.0379 -2.0379 -1.5521 -1.5521 -1.0848 -1.0848 -0.8123 -0.8123 -0.1763 -0.1763 0.1452 0.1452 0.2374 0.2374 0.3770 0.3770 8.3098 8.3098 9.0122 9.0122 9.5718 9.5718 10.0043 10.0043 k = 0.6215-0.2915 0.5044 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3365 -20.3365 -20.3351 -20.3351 -11.9358 -11.9358 -11.8102 -11.8102 -7.3562 -7.3562 -7.3374 -7.3374 -4.8412 -4.8412 -4.4324 -4.4324 -2.0227 -2.0227 -1.5455 -1.5455 -1.0850 -1.0850 -0.7806 -0.7806 -0.1685 -0.1685 0.1306 0.1306 0.2365 0.2365 0.3702 0.3702 8.3614 8.3614 9.0494 9.0494 9.5397 9.5397 9.9948 9.9948 k = 0.6197-0.2936 0.4868 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3378 -20.3378 -20.3359 -20.3359 -11.9457 -11.9457 -11.8176 -11.8176 -7.3502 -7.3502 -7.3318 -7.3318 -4.8302 -4.8302 -4.4344 -4.4344 -2.0064 -2.0064 -1.5379 -1.5379 -1.0850 -1.0850 -0.7470 -0.7470 -0.1594 -0.1594 0.1145 0.1145 0.2362 0.2362 0.3633 0.3633 8.4142 8.4142 9.0877 9.0877 9.5075 9.5075 9.9831 9.9831 k = 0.6179-0.2957 0.4691 ( 5883 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3390 -20.3390 -20.3368 -20.3368 -11.9558 -11.9558 -11.8251 -11.8251 -7.3443 -7.3443 -7.3261 -7.3261 -4.8193 -4.8193 -4.4364 -4.4364 -1.9893 -1.9893 -1.5293 -1.5293 -1.0849 -1.0849 -0.7116 -0.7116 -0.1489 -0.1489 0.0970 0.0970 0.2362 0.2362 0.3561 0.3561 8.4676 8.4676 9.1269 9.1269 9.4753 9.4753 9.9694 9.9694 k = 0.6160-0.2978 0.4515 ( 5877 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1234 -39.1234 -39.0960 -39.0960 -20.3404 -20.3404 -20.3377 -20.3377 -11.9661 -11.9661 -11.8327 -11.8327 -7.3383 -7.3383 -7.3203 -7.3203 -4.8085 -4.8085 -4.4387 -4.4387 -1.9713 -1.9713 -1.5197 -1.5197 -1.0849 -1.0849 -0.6744 -0.6744 -0.1367 -0.1367 0.0784 0.0784 0.2365 0.2365 0.3489 0.3489 8.5205 8.5205 9.1667 9.1667 9.4435 9.4435 9.9540 9.9540 k = 0.6142-0.2999 0.4338 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3417 -20.3417 -20.3386 -20.3386 -11.9766 -11.9766 -11.8405 -11.8405 -7.3323 -7.3323 -7.3145 -7.3145 -4.7979 -4.7979 -4.4411 -4.4411 -1.9527 -1.9527 -1.5092 -1.5092 -1.0851 -1.0851 -0.6357 -0.6357 -0.1230 -0.1230 0.0588 0.0588 0.2371 0.2371 0.3415 0.3415 8.5721 8.5721 9.2066 9.2066 9.4126 9.4126 9.9371 9.9371 k = 0.6124-0.3020 0.4162 ( 5883 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3431 -20.3431 -20.3396 -20.3396 -11.9873 -11.9873 -11.8484 -11.8484 -7.3264 -7.3264 -7.3088 -7.3088 -4.7875 -4.7875 -4.4436 -4.4436 -1.9336 -1.9336 -1.4977 -1.4977 -1.0855 -1.0855 -0.5957 -0.5957 -0.1075 -0.1075 0.0384 0.0384 0.2380 0.2380 0.3341 0.3341 8.6209 8.6209 9.2463 9.2463 9.3834 9.3834 9.9189 9.9189 k = 0.6106-0.3041 0.3985 ( 5890 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1232 -39.1232 -39.0960 -39.0960 -20.3445 -20.3445 -20.3406 -20.3406 -11.9980 -11.9980 -11.8563 -11.8563 -7.3206 -7.3206 -7.3031 -7.3031 -4.7774 -4.7774 -4.4462 -4.4462 -1.9140 -1.9140 -1.4852 -1.4852 -1.0864 -1.0864 -0.5545 -0.5545 -0.0905 -0.0905 0.0175 0.0175 0.2393 0.2393 0.3266 0.3266 8.6651 8.6651 9.2852 9.2852 9.3568 9.3568 9.8999 9.8999 k = 0.6088-0.3062 0.3809 ( 5892 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1232 -39.1232 -39.0960 -39.0960 -20.3459 -20.3459 -20.3416 -20.3416 -12.0087 -12.0087 -11.8642 -11.8642 -7.3149 -7.3149 -7.2975 -7.2975 -4.7677 -4.7677 -4.4489 -4.4489 -1.8940 -1.8940 -1.4718 -1.4718 -1.0877 -1.0877 -0.5124 -0.5124 -0.0721 -0.0721 -0.0038 -0.0038 0.2410 0.2410 0.3192 0.3192 8.7026 8.7026 9.3204 9.3204 9.3367 9.3367 9.8806 9.8806 k = 0.6069-0.3084 0.3633 ( 5903 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1231 -39.1231 -39.0960 -39.0960 -20.3473 -20.3473 -20.3427 -20.3427 -12.0194 -12.0194 -11.8721 -11.8721 -7.3093 -7.3093 -7.2919 -7.2919 -4.7582 -4.7582 -4.4517 -4.4517 -1.8739 -1.8739 -1.4575 -1.4575 -1.0895 -1.0895 -0.4698 -0.4698 -0.0545 -0.0545 -0.0231 -0.0231 0.2433 0.2433 0.3119 0.3119 8.7309 8.7309 9.3135 9.3135 9.3621 9.3621 9.8620 9.8620 k = 0.6051-0.3105 0.3456 ( 5897 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1231 -39.1231 -39.0960 -39.0960 -20.3486 -20.3486 -20.3437 -20.3437 -12.0300 -12.0300 -11.8798 -11.8798 -7.3039 -7.3039 -7.2865 -7.2865 -4.7492 -4.7492 -4.4545 -4.4545 -1.8535 -1.8535 -1.4422 -1.4422 -1.0920 -1.0920 -0.4269 -0.4269 -0.0562 -0.0562 -0.0220 -0.0220 0.2463 0.2463 0.3047 0.3047 8.7478 8.7478 9.3010 9.3010 9.3970 9.3970 9.8453 9.8453 k = 0.6033-0.3126 0.3280 ( 5889 PWs) bands (ev): -72.4528 -72.4528 -39.3993 -39.3993 -39.1230 -39.1230 -39.0960 -39.0960 -20.3500 -20.3500 -20.3447 -20.3447 -12.0404 -12.0404 -11.8875 -11.8875 -7.2986 -7.2986 -7.2812 -7.2812 -4.7407 -4.7407 -4.4574 -4.4574 -1.8331 -1.8331 -1.4262 -1.4262 -1.0950 -1.0950 -0.3841 -0.3841 -0.0767 -0.0767 -0.0009 -0.0009 0.2500 0.2500 0.2977 0.2977 8.7519 8.7519 9.2929 9.2929 9.4302 9.4302 9.8319 9.8319 k = 0.6015-0.3147 0.3103 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3993 -39.3993 -39.1230 -39.1230 -39.0960 -39.0960 -20.3514 -20.3514 -20.3458 -20.3458 -12.0507 -12.0507 -11.8950 -11.8950 -7.2936 -7.2936 -7.2760 -7.2760 -4.7326 -4.7326 -4.4603 -4.4603 -1.8127 -1.8127 -1.4092 -1.4092 -1.0988 -1.0988 -0.3420 -0.3420 -0.0996 -0.0996 0.0236 0.0236 0.2548 0.2548 0.2911 0.2911 8.7430 8.7430 9.2874 9.2874 9.4614 9.4614 9.8238 9.8238 k = 0.5997-0.3168 0.2927 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1229 -39.1229 -39.0960 -39.0960 -20.3527 -20.3527 -20.3468 -20.3468 -12.0607 -12.0607 -11.9023 -11.9023 -7.2888 -7.2888 -7.2711 -7.2711 -4.7250 -4.7250 -4.4631 -4.4631 -1.7923 -1.7923 -1.3915 -1.3915 -1.1032 -1.1032 -0.3014 -0.3014 -0.1226 -0.1226 0.0495 0.0495 0.2605 0.2605 0.2851 0.2851 8.7226 8.7226 9.2811 9.2811 9.4901 9.4901 9.8229 9.8229 k = 0.5979-0.3189 0.2750 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1228 -39.1228 -39.0960 -39.0960 -20.3540 -20.3540 -20.3478 -20.3478 -12.0704 -12.0704 -11.9093 -11.9093 -7.2842 -7.2842 -7.2663 -7.2663 -4.7179 -4.7179 -4.4660 -4.4660 -1.7720 -1.7720 -1.3730 -1.3730 -1.1082 -1.1082 -0.2635 -0.2635 -0.1445 -0.1445 0.0762 0.0762 0.2671 0.2671 0.2800 0.2800 8.6928 8.6928 9.2703 9.2703 9.5164 9.5164 9.8304 9.8304 k = 0.5960-0.3210 0.2574 ( 5889 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1228 -39.1228 -39.0959 -39.0959 -20.3552 -20.3552 -20.3487 -20.3487 -12.0798 -12.0798 -11.9161 -11.9161 -7.2800 -7.2800 -7.2618 -7.2618 -4.7114 -4.7114 -4.4688 -4.4688 -1.7519 -1.7519 -1.3537 -1.3537 -1.1139 -1.1139 -0.2328 -0.2328 -0.1613 -0.1613 0.1032 0.1032 0.2709 0.2709 0.2802 0.2802 8.6556 8.6556 9.2527 9.2527 9.5401 9.5401 9.8465 9.8465 k = 0.5942-0.3231 0.2397 ( 5895 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3564 -20.3564 -20.3497 -20.3497 -12.0888 -12.0888 -11.9226 -11.9226 -7.2760 -7.2760 -7.2575 -7.2575 -4.7054 -4.7054 -4.4715 -4.4715 -1.7320 -1.7320 -1.3338 -1.3338 -1.1203 -1.1203 -0.2241 -0.2241 -0.1587 -0.1587 0.1300 0.1300 0.2685 0.2685 0.2893 0.2893 8.6132 8.6132 9.2277 9.2277 9.5611 9.5611 9.8698 9.8698 k = 0.5924-0.3252 0.2221 ( 5895 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3576 -20.3576 -20.3506 -20.3506 -12.0974 -12.0974 -11.9287 -11.9287 -7.2723 -7.2723 -7.2535 -7.2535 -4.6999 -4.6999 -4.4742 -4.4742 -1.7123 -1.7123 -1.3132 -1.3132 -1.1272 -1.1272 -0.2392 -0.2392 -0.1351 -0.1351 0.1557 0.1557 0.2663 0.2663 0.3016 0.3016 8.5671 8.5671 9.1959 9.1959 9.5795 9.5795 9.8983 9.8983 k = 0.5906-0.3273 0.2044 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1226 -39.1226 -39.0959 -39.0959 -20.3587 -20.3587 -20.3515 -20.3515 -12.1056 -12.1056 -11.9345 -11.9345 -7.2690 -7.2690 -7.2498 -7.2498 -4.6950 -4.6950 -4.4768 -4.4768 -1.6929 -1.6929 -1.2920 -1.2920 -1.1347 -1.1347 -0.2616 -0.2616 -0.1073 -0.1073 0.1789 0.1789 0.2667 0.2667 0.3160 0.3160 8.5189 8.5189 9.1586 9.1586 9.5954 9.5954 9.9293 9.9293 k = 0.5888-0.3294 0.1868 ( 5898 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1226 -39.1226 -39.0959 -39.0959 -20.3597 -20.3597 -20.3523 -20.3523 -12.1133 -12.1133 -11.9398 -11.9398 -7.2660 -7.2660 -7.2464 -7.2464 -4.6907 -4.6907 -4.4792 -4.4792 -1.6737 -1.6737 -1.2703 -1.2703 -1.1427 -1.1427 -0.2860 -0.2860 -0.0809 -0.0809 0.1973 0.1973 0.2716 0.2716 0.3324 0.3324 8.4696 8.4696 9.1177 9.1177 9.6089 9.6089 9.9605 9.9605 k = 0.5869-0.3315 0.1691 ( 5900 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1226 -39.1226 -39.0959 -39.0959 -20.3607 -20.3607 -20.3530 -20.3530 -12.1204 -12.1204 -11.9448 -11.9448 -7.2633 -7.2633 -7.2433 -7.2433 -4.6869 -4.6869 -4.4815 -4.4815 -1.6549 -1.6549 -1.2482 -1.2482 -1.1511 -1.1511 -0.3110 -0.3110 -0.0572 -0.0572 0.2090 0.2090 0.2830 0.2830 0.3503 0.3503 8.4204 8.4204 9.0746 9.0746 9.6201 9.6201 9.9896 9.9896 k = 0.5851-0.3336 0.1515 ( 5902 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3616 -20.3616 -20.3538 -20.3538 -12.1270 -12.1270 -11.9493 -11.9493 -7.2611 -7.2611 -7.2405 -7.2405 -4.6837 -4.6837 -4.4837 -4.4837 -1.6365 -1.6365 -1.2257 -1.2257 -1.1599 -1.1599 -0.3362 -0.3362 -0.0364 -0.0364 0.2145 0.2145 0.2999 0.2999 0.3693 0.3693 8.3723 8.3723 9.0310 9.0310 9.6293 9.6293 10.0151 10.0151 k = 0.5833-0.3357 0.1338 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3625 -20.3625 -20.3544 -20.3544 -12.1331 -12.1331 -11.9533 -11.9533 -7.2592 -7.2592 -7.2380 -7.2380 -4.6810 -4.6810 -4.4858 -4.4858 -1.6185 -1.6185 -1.2031 -1.2031 -1.1689 -1.1689 -0.3614 -0.3614 -0.0185 -0.0185 0.2163 0.2163 0.3196 0.3196 0.3889 0.3889 8.3260 8.3260 8.9880 8.9880 9.6365 9.6365 10.0360 10.0360 k = 0.5815-0.3378 0.1162 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1225 -39.1225 -39.0959 -39.0959 -20.3632 -20.3632 -20.3550 -20.3550 -12.1385 -12.1385 -11.9569 -11.9569 -7.2577 -7.2577 -7.2359 -7.2359 -4.6789 -4.6789 -4.4877 -4.4877 -1.6010 -1.6010 -1.1835 -1.1835 -1.1750 -1.1750 -0.3864 -0.3864 -0.0032 -0.0032 0.2165 0.2165 0.3395 0.3395 0.4083 0.4083 8.2826 8.2826 8.9470 8.9470 9.6421 9.6421 10.0519 10.0519 k = 0.5797-0.3399 0.0985 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3639 -20.3639 -20.3555 -20.3555 -12.1433 -12.1433 -11.9599 -11.9599 -7.2566 -7.2566 -7.2342 -7.2342 -4.6773 -4.6773 -4.4894 -4.4894 -1.5840 -1.5840 -1.1890 -1.1890 -1.1561 -1.1561 -0.4109 -0.4109 0.0097 0.0097 0.2161 0.2161 0.3585 0.3585 0.4271 0.4271 8.2427 8.2427 8.9088 8.9088 9.6461 9.6461 10.0631 10.0631 k = 0.5778-0.3420 0.0809 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3645 -20.3645 -20.3560 -20.3560 -12.1475 -12.1475 -11.9624 -11.9624 -7.2558 -7.2558 -7.2328 -7.2328 -4.6762 -4.6762 -4.4909 -4.4909 -1.5677 -1.5677 -1.1984 -1.1984 -1.1336 -1.1336 -0.4348 -0.4348 0.0205 0.0205 0.2157 0.2157 0.3755 0.3755 0.4445 0.4445 8.2069 8.2069 8.8744 8.8744 9.6488 9.6488 10.0702 10.0702 k = 0.5760-0.3441 0.0632 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3650 -20.3650 -20.3563 -20.3563 -12.1510 -12.1510 -11.9644 -11.9644 -7.2555 -7.2555 -7.2318 -7.2318 -4.6757 -4.6757 -4.4922 -4.4922 -1.5522 -1.5522 -1.2077 -1.2077 -1.1113 -1.1113 -0.4578 -0.4578 0.0296 0.0296 0.2154 0.2154 0.3901 0.3901 0.4601 0.4601 8.1759 8.1759 8.8445 8.8445 9.6503 9.6503 10.0742 10.0742 k = 0.5742-0.3462 0.0456 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3654 -20.3654 -20.3566 -20.3566 -12.1538 -12.1538 -11.9659 -11.9659 -7.2556 -7.2556 -7.2312 -7.2312 -4.6757 -4.6757 -4.4934 -4.4934 -1.5378 -1.5378 -1.2167 -1.2167 -1.0896 -1.0896 -0.4797 -0.4797 0.0373 0.0373 0.2155 0.2155 0.4019 0.4019 0.4734 0.4734 8.1502 8.1502 8.8197 8.8197 9.6508 9.6508 10.0763 10.0763 k = 0.5724-0.3484 0.0280 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3657 -20.3657 -20.3569 -20.3569 -12.1560 -12.1560 -11.9668 -11.9668 -7.2561 -7.2561 -7.2309 -7.2309 -4.6762 -4.6762 -4.4943 -4.4943 -1.5246 -1.5246 -1.2250 -1.2250 -1.0689 -1.0689 -0.5002 -0.5002 0.0437 0.0437 0.2160 0.2160 0.4104 0.4104 0.4841 0.4841 8.1301 8.1301 8.8005 8.8005 9.6503 9.6503 10.0772 10.0772 k = 0.5706-0.3505 0.0103 ( 5895 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3659 -20.3659 -20.3570 -20.3570 -12.1575 -12.1575 -11.9671 -11.9671 -7.2571 -7.2571 -7.2310 -7.2310 -4.6772 -4.6772 -4.4950 -4.4950 -1.5131 -1.5131 -1.2323 -1.2323 -1.0496 -1.0496 -0.5187 -0.5187 0.0490 0.0490 0.2169 0.2169 0.4156 0.4156 0.4917 0.4917 8.1160 8.1160 8.7871 8.7871 9.6490 9.6490 10.0777 10.0777 k = 0.5687-0.3526-0.0073 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3660 -20.3660 -20.3571 -20.3571 -12.1582 -12.1582 -11.9669 -11.9669 -7.2584 -7.2584 -7.2315 -7.2315 -4.6787 -4.6787 -4.4955 -4.4955 -1.5036 -1.5036 -1.2382 -1.2382 -1.0323 -1.0323 -0.5348 -0.5348 0.0532 0.0532 0.2184 0.2184 0.4173 0.4173 0.4962 0.4962 8.1080 8.1080 8.7798 8.7798 9.6468 9.6468 10.0785 10.0785 k = 0.5669-0.3547-0.0250 ( 5904 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3661 -20.3661 -20.3570 -20.3570 -12.1583 -12.1583 -11.9661 -11.9661 -7.2601 -7.2601 -7.2324 -7.2324 -4.6808 -4.6808 -4.4958 -4.4958 -1.4966 -1.4966 -1.2421 -1.2421 -1.0174 -1.0174 -0.5479 -0.5479 0.0565 0.0565 0.2203 0.2203 0.4154 0.4154 0.4974 0.4974 8.1063 8.1063 8.7786 8.7786 9.6439 9.6439 10.0796 10.0796 k = 0.5651-0.3568-0.0426 ( 5904 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3660 -20.3660 -20.3569 -20.3569 -12.1577 -12.1577 -11.9648 -11.9648 -7.2622 -7.2622 -7.2336 -7.2336 -4.6833 -4.6833 -4.4959 -4.4959 -1.4926 -1.4926 -1.2437 -1.2437 -1.0057 -1.0057 -0.5574 -0.5574 0.0588 0.0588 0.2226 0.2226 0.4101 0.4101 0.4952 0.4952 8.1109 8.1109 8.7835 8.7835 9.6401 9.6401 10.0812 10.0812 k = 0.5633-0.3589-0.0603 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3659 -20.3659 -20.3568 -20.3568 -12.1564 -12.1564 -11.9629 -11.9629 -7.2648 -7.2648 -7.2352 -7.2352 -4.6863 -4.6863 -4.4957 -4.4957 -1.4918 -1.4918 -1.2426 -1.2426 -0.9977 -0.9977 -0.5627 -0.5627 0.0599 0.0599 0.2254 0.2254 0.4014 0.4014 0.4898 0.4898 8.1215 8.1215 8.7942 8.7942 9.6354 9.6354 10.0829 10.0829 k = 0.5633-0.3589-0.0603 ( 5906 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3659 -20.3659 -20.3568 -20.3568 -12.1564 -12.1564 -11.9629 -11.9629 -7.2648 -7.2648 -7.2352 -7.2352 -4.6863 -4.6863 -4.4957 -4.4957 -1.4918 -1.4918 -1.2426 -1.2426 -0.9977 -0.9977 -0.5627 -0.5627 0.0599 0.0599 0.2254 0.2254 0.4014 0.4014 0.4898 0.4898 8.1215 8.1215 8.7942 8.7942 9.6354 9.6354 10.0829 10.0829 k = 0.5542-0.3693-0.0517 ( 5900 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3663 -20.3663 -20.3563 -20.3563 -12.1585 -12.1585 -11.9636 -11.9636 -7.2631 -7.2631 -7.2318 -7.2318 -4.6810 -4.6810 -4.4937 -4.4937 -1.5089 -1.5089 -1.2452 -1.2452 -0.9920 -0.9920 -0.5745 -0.5745 0.0661 0.0661 0.2222 0.2222 0.4063 0.4063 0.4968 0.4968 8.0968 8.0968 8.8422 8.8422 9.6438 9.6438 10.0419 10.0419 k = 0.5452-0.3798-0.0431 ( 5905 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3667 -20.3667 -20.3560 -20.3560 -12.1603 -12.1603 -11.9642 -11.9642 -7.2617 -7.2617 -7.2289 -7.2289 -4.6764 -4.6764 -4.4919 -4.4919 -1.5236 -1.5236 -1.2474 -1.2474 -0.9871 -0.9871 -0.5846 -0.5846 0.0713 0.0713 0.2194 0.2194 0.4103 0.4103 0.5030 0.5030 8.0755 8.0755 8.8855 8.8855 9.6507 9.6507 10.0047 10.0047 k = 0.5362-0.3903-0.0344 ( 5900 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0959 -39.0959 -20.3671 -20.3671 -20.3557 -20.3557 -12.1618 -12.1618 -11.9646 -11.9646 -7.2605 -7.2605 -7.2265 -7.2265 -4.6727 -4.6727 -4.4904 -4.4904 -1.5356 -1.5356 -1.2491 -1.2491 -0.9830 -0.9830 -0.5931 -0.5931 0.0755 0.0755 0.2171 0.2171 0.4134 0.4134 0.5084 0.5084 8.0578 8.0578 8.9231 8.9231 9.6563 9.6563 9.9722 9.9722 k = 0.5271-0.4007-0.0258 ( 5897 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3673 -20.3673 -20.3555 -20.3555 -12.1630 -12.1630 -11.9650 -11.9650 -7.2596 -7.2596 -7.2246 -7.2246 -4.6697 -4.6697 -4.4893 -4.4893 -1.5451 -1.5451 -1.2505 -1.2505 -0.9796 -0.9796 -0.5998 -0.5998 0.0787 0.0787 0.2153 0.2153 0.4158 0.4158 0.5127 0.5127 8.0440 8.0440 8.9539 8.9539 9.6606 9.6606 9.9455 9.9455 k = 0.5181-0.4112-0.0172 ( 5889 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3675 -20.3675 -20.3553 -20.3553 -12.1639 -12.1639 -11.9653 -11.9653 -7.2589 -7.2589 -7.2233 -7.2233 -4.6676 -4.6676 -4.4884 -4.4884 -1.5519 -1.5519 -1.2514 -1.2514 -0.9772 -0.9772 -0.6047 -0.6047 0.0810 0.0810 0.2140 0.2140 0.4174 0.4174 0.5159 0.5159 8.0340 8.0340 8.9769 8.9769 9.6636 9.6636 9.9254 9.9254 k = 0.5090-0.4216-0.0086 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3676 -20.3676 -20.3552 -20.3552 -12.1644 -12.1644 -11.9655 -11.9655 -7.2585 -7.2585 -7.2224 -7.2224 -4.6663 -4.6663 -4.4879 -4.4879 -1.5560 -1.5560 -1.2520 -1.2520 -0.9757 -0.9757 -0.6076 -0.6076 0.0824 0.0824 0.2132 0.2132 0.4184 0.4184 0.5179 0.5179 8.0280 8.0280 8.9912 8.9912 9.6654 9.6654 9.9130 9.9130 k = 0.5000-0.4321-0.0000 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3676 -20.3676 -20.3552 -20.3552 -12.1645 -12.1645 -11.9655 -11.9655 -7.2583 -7.2583 -7.2222 -7.2222 -4.6659 -4.6659 -4.4878 -4.4878 -1.5574 -1.5574 -1.2522 -1.2522 -0.9752 -0.9752 -0.6086 -0.6086 0.0829 0.0829 0.2129 0.2129 0.4187 0.4187 0.5185 0.5185 8.0260 8.0260 8.9960 8.9960 9.6660 9.6660 9.9088 9.9088 k = 0.5000-0.4321-0.0000 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3676 -20.3676 -20.3552 -20.3552 -12.1645 -12.1645 -11.9655 -11.9655 -7.2583 -7.2583 -7.2222 -7.2222 -4.6659 -4.6659 -4.4878 -4.4878 -1.5574 -1.5574 -1.2522 -1.2522 -0.9752 -0.9752 -0.6086 -0.6086 0.0829 0.0829 0.2129 0.2129 0.4187 0.4187 0.5185 0.5185 8.0260 8.0260 8.9960 8.9960 9.6660 9.6660 9.9088 9.9088 k = 0.4865-0.4204-0.0000 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3677 -20.3677 -20.3551 -20.3551 -12.1645 -12.1645 -11.9654 -11.9654 -7.2587 -7.2587 -7.2221 -7.2221 -4.6664 -4.6664 -4.4885 -4.4885 -1.5561 -1.5561 -1.2524 -1.2524 -0.9754 -0.9754 -0.6071 -0.6071 0.0831 0.0831 0.2129 0.2129 0.4188 0.4188 0.5187 0.5187 8.0214 8.0214 8.9964 8.9964 9.6659 9.6659 9.9066 9.9066 k = 0.4730-0.4087-0.0000 ( 5888 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3679 -20.3679 -20.3550 -20.3550 -12.1643 -12.1643 -11.9649 -11.9649 -7.2598 -7.2598 -7.2221 -7.2221 -4.6679 -4.6679 -4.4905 -4.4905 -1.5522 -1.5522 -1.2532 -1.2532 -0.9758 -0.9758 -0.6025 -0.6025 0.0838 0.0838 0.2130 0.2130 0.4189 0.4189 0.5191 0.5191 8.0079 8.0079 8.9974 8.9974 9.6654 9.6654 9.9001 9.9001 k = 0.4595-0.3971-0.0000 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0959 -39.0959 -20.3682 -20.3682 -20.3547 -20.3547 -12.1639 -12.1639 -11.9641 -11.9641 -7.2617 -7.2617 -7.2220 -7.2220 -4.6703 -4.6703 -4.4939 -4.4939 -1.5457 -1.5457 -1.2545 -1.2545 -0.9766 -0.9766 -0.5949 -0.5949 0.0850 0.0850 0.2131 0.2131 0.4191 0.4191 0.5198 0.5198 7.9858 7.9858 8.9991 8.9991 9.6642 9.6642 9.8894 9.8894 k = 0.4459-0.3854-0.0000 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3686 -20.3686 -20.3544 -20.3544 -12.1634 -12.1634 -11.9631 -11.9631 -7.2642 -7.2642 -7.2219 -7.2219 -4.6738 -4.6738 -4.4984 -4.4984 -1.5368 -1.5368 -1.2562 -1.2562 -0.9776 -0.9776 -0.5843 -0.5843 0.0866 0.0866 0.2133 0.2133 0.4194 0.4194 0.5207 0.5207 7.9554 7.9554 9.0014 9.0014 9.6616 9.6616 9.8743 9.8743 k = 0.4324-0.3737-0.0000 ( 5898 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3692 -20.3692 -20.3539 -20.3539 -12.1628 -12.1628 -11.9618 -11.9618 -7.2674 -7.2674 -7.2218 -7.2218 -4.6783 -4.6783 -4.5041 -4.5041 -1.5255 -1.5255 -1.2584 -1.2584 -0.9789 -0.9789 -0.5708 -0.5708 0.0887 0.0887 0.2136 0.2136 0.4198 0.4198 0.5218 0.5218 7.9175 7.9175 9.0041 9.0041 9.6570 9.6570 9.8552 9.8552 k = 0.4189-0.3620-0.0000 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3698 -20.3698 -20.3534 -20.3534 -12.1621 -12.1621 -11.9601 -11.9601 -7.2711 -7.2711 -7.2218 -7.2218 -4.6838 -4.6838 -4.5107 -4.5107 -1.5119 -1.5119 -1.2611 -1.2611 -0.9805 -0.9805 -0.5545 -0.5545 0.0912 0.0912 0.2139 0.2139 0.4203 0.4203 0.5231 0.5231 7.8726 7.8726 9.0072 9.0072 9.6493 9.6493 9.8324 9.8324 k = 0.4054-0.3504-0.0000 ( 5896 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3706 -20.3706 -20.3528 -20.3528 -12.1613 -12.1613 -11.9582 -11.9582 -7.2753 -7.2753 -7.2219 -7.2219 -4.6905 -4.6905 -4.5180 -4.5180 -1.4962 -1.4962 -1.2642 -1.2642 -0.9824 -0.9824 -0.5354 -0.5354 0.0942 0.0942 0.2144 0.2144 0.4208 0.4208 0.5246 0.5246 7.8215 7.8215 9.0105 9.0105 9.6372 9.6372 9.8065 9.8065 k = 0.3919-0.3387-0.0000 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3713 -20.3713 -20.3522 -20.3522 -12.1603 -12.1603 -11.9561 -11.9561 -7.2801 -7.2801 -7.2221 -7.2221 -4.6982 -4.6982 -4.5260 -4.5260 -1.4785 -1.4785 -1.2678 -1.2678 -0.9844 -0.9844 -0.5136 -0.5136 0.0975 0.0975 0.2150 0.2150 0.4215 0.4215 0.5262 0.5262 7.7650 7.7650 9.0140 9.0140 9.6193 9.6193 9.7787 9.7787 k = 0.3784-0.3270-0.0000 ( 5894 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3722 -20.3722 -20.3515 -20.3515 -12.1593 -12.1593 -11.9537 -11.9537 -7.2853 -7.2853 -7.2224 -7.2224 -4.7071 -4.7071 -4.5344 -4.5344 -1.4589 -1.4589 -1.2717 -1.2717 -0.9867 -0.9867 -0.4893 -0.4893 0.1012 0.1012 0.2157 0.2157 0.4222 0.4222 0.5279 0.5279 7.7037 7.7037 9.0173 9.0173 9.5938 9.5938 9.7504 9.7504 k = 0.3649-0.3153-0.0000 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3732 -20.3732 -20.3508 -20.3508 -12.1581 -12.1581 -11.9511 -11.9511 -7.2908 -7.2908 -7.2228 -7.2228 -4.7172 -4.7172 -4.5430 -4.5430 -1.4378 -1.4378 -1.2760 -1.2760 -0.9892 -0.9892 -0.4626 -0.4626 0.1053 0.1053 0.2166 0.2166 0.4230 0.4230 0.5297 0.5297 7.6383 7.6383 9.0205 9.0205 9.5599 9.5599 9.7228 9.7228 k = 0.3514-0.3036-0.0000 ( 5890 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3741 -20.3741 -20.3500 -20.3500 -12.1569 -12.1569 -11.9483 -11.9483 -7.2968 -7.2968 -7.2233 -7.2233 -4.7283 -4.7283 -4.5517 -4.5517 -1.4152 -1.4152 -1.2806 -1.2806 -0.9919 -0.9919 -0.4337 -0.4337 0.1098 0.1098 0.2177 0.2177 0.4239 0.4239 0.5315 0.5315 7.5696 7.5696 9.0233 9.0233 9.5174 9.5174 9.6963 9.6963 k = 0.3378-0.2920-0.0000 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3752 -20.3752 -20.3492 -20.3492 -12.1556 -12.1556 -11.9453 -11.9453 -7.3030 -7.3030 -7.2239 -7.2239 -4.7406 -4.7406 -4.5602 -4.5602 -1.3913 -1.3913 -1.2854 -1.2854 -0.9947 -0.9947 -0.4027 -0.4027 0.1145 0.1145 0.2189 0.2189 0.4248 0.4248 0.5333 0.5333 7.4980 7.4980 9.0258 9.0258 9.4676 9.4676 9.6703 9.6703 k = 0.3243-0.2803-0.0000 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3763 -20.3763 -20.3483 -20.3483 -12.1542 -12.1542 -11.9421 -11.9421 -7.3096 -7.3096 -7.2246 -7.2246 -4.7539 -4.7539 -4.5686 -4.5686 -1.3666 -1.3666 -1.2903 -1.2903 -0.9976 -0.9976 -0.3698 -0.3698 0.1196 0.1196 0.2203 0.2203 0.4258 0.4258 0.5351 0.5351 7.4243 7.4243 9.0277 9.0277 9.4120 9.4120 9.6439 9.6439 k = 0.3108-0.2686-0.0000 ( 5878 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3774 -20.3774 -20.3474 -20.3474 -12.1527 -12.1527 -11.9387 -11.9387 -7.3164 -7.3164 -7.2254 -7.2254 -4.7681 -4.7681 -4.5766 -4.5766 -1.3413 -1.3413 -1.2951 -1.2951 -1.0007 -1.0007 -0.3352 -0.3352 0.1249 0.1249 0.2219 0.2219 0.4269 0.4269 0.5368 0.5368 7.3488 7.3488 9.0291 9.0291 9.3522 9.3522 9.6165 9.6165 k = 0.2973-0.2569-0.0000 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3786 -20.3786 -20.3465 -20.3465 -12.1513 -12.1513 -11.9353 -11.9353 -7.3234 -7.3234 -7.2263 -7.2263 -4.7831 -4.7831 -4.5844 -4.5844 -1.3180 -1.3180 -1.2975 -1.2975 -1.0038 -1.0038 -0.2991 -0.2991 0.1304 0.1304 0.2236 0.2236 0.4280 0.4280 0.5385 0.5385 7.2722 7.2722 9.0299 9.0299 9.2896 9.2896 9.5876 9.5876 k = 0.2838-0.2452-0.0000 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3798 -20.3798 -20.3456 -20.3456 -12.1497 -12.1497 -11.9317 -11.9317 -7.3306 -7.3306 -7.2272 -7.2272 -4.7987 -4.7987 -4.5917 -4.5917 -1.3113 -1.3113 -1.2828 -1.2828 -1.0070 -1.0070 -0.2617 -0.2617 0.1362 0.1362 0.2255 0.2255 0.4292 0.4292 0.5400 0.5400 7.1948 7.1948 9.0301 9.0301 9.2253 9.2253 9.5567 9.5567 k = 0.2703-0.2336-0.0000 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3809 -20.3809 -20.3447 -20.3447 -12.1482 -12.1482 -11.9281 -11.9281 -7.3378 -7.3378 -7.2282 -7.2282 -4.8149 -4.8149 -4.5986 -4.5986 -1.3155 -1.3155 -1.2571 -1.2571 -1.0102 -1.0102 -0.2233 -0.2233 0.1422 0.1422 0.2276 0.2276 0.4304 0.4304 0.5415 0.5415 7.1172 7.1172 9.0298 9.0298 9.1603 9.1603 9.5238 9.5238 k = 0.2568-0.2219-0.0000 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3821 -20.3821 -20.3437 -20.3437 -12.1466 -12.1466 -11.9244 -11.9244 -7.3451 -7.3451 -7.2293 -7.2293 -4.8313 -4.8313 -4.6051 -4.6051 -1.3209 -1.3209 -1.2302 -1.2302 -1.0135 -1.0135 -0.1842 -0.1842 0.1484 0.1484 0.2298 0.2298 0.4316 0.4316 0.5428 0.5428 7.0398 7.0398 9.0288 9.0288 9.0953 9.0953 9.4889 9.4889 k = 0.2432-0.2102-0.0000 ( 5872 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3833 -20.3833 -20.3428 -20.3428 -12.1450 -12.1450 -11.9207 -11.9207 -7.3525 -7.3525 -7.2303 -7.2303 -4.8479 -4.8479 -4.6112 -4.6112 -1.3266 -1.3266 -1.2031 -1.2031 -1.0167 -1.0167 -0.1446 -0.1446 0.1548 0.1548 0.2321 0.2321 0.4328 0.4328 0.5440 0.5440 6.9630 6.9630 9.0272 9.0272 9.0311 9.0311 9.4521 9.4521 k = 0.2297-0.1985-0.0000 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3845 -20.3845 -20.3419 -20.3419 -12.1435 -12.1435 -11.9170 -11.9170 -7.3597 -7.3597 -7.2314 -7.2314 -4.8645 -4.8645 -4.6170 -4.6170 -1.3324 -1.3324 -1.1762 -1.1762 -1.0199 -1.0199 -0.1049 -0.1049 0.1614 0.1614 0.2344 0.2344 0.4341 0.4341 0.5450 0.5450 6.8872 6.8872 8.9678 8.9678 9.0253 9.0253 9.4139 9.4139 k = 0.2162-0.1869-0.0000 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3857 -20.3857 -20.3410 -20.3410 -12.1420 -12.1420 -11.9133 -11.9133 -7.3669 -7.3669 -7.2325 -7.2325 -4.8810 -4.8810 -4.6223 -4.6223 -1.3382 -1.3382 -1.1497 -1.1497 -1.0230 -1.0230 -0.0654 -0.0654 0.1682 0.1682 0.2369 0.2369 0.4353 0.4353 0.5459 0.5459 6.8128 6.8128 8.9064 8.9064 9.0229 9.0229 9.3745 9.3745 k = 0.2027-0.1752-0.0000 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3868 -20.3868 -20.3401 -20.3401 -12.1404 -12.1404 -11.9097 -11.9097 -7.3740 -7.3740 -7.2336 -7.2336 -4.8971 -4.8971 -4.6273 -4.6273 -1.3438 -1.3438 -1.1239 -1.1239 -1.0260 -1.0260 -0.0265 -0.0265 0.1753 0.1753 0.2393 0.2393 0.4366 0.4366 0.5467 0.5467 6.7402 6.7402 8.8471 8.8471 9.0202 9.0202 9.3346 9.3346 k = 0.1892-0.1635-0.0000 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3880 -20.3880 -20.3392 -20.3392 -12.1390 -12.1390 -11.9062 -11.9062 -7.3809 -7.3809 -7.2346 -7.2346 -4.9128 -4.9128 -4.6318 -4.6318 -1.3494 -1.3494 -1.0989 -1.0989 -1.0290 -1.0290 0.0114 0.0114 0.1828 0.1828 0.2418 0.2418 0.4378 0.4378 0.5473 0.5473 6.6698 6.6698 8.7903 8.7903 9.0172 9.0172 9.2947 9.2947 k = 0.1757-0.1518-0.0000 ( 5872 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3890 -20.3890 -20.3384 -20.3384 -12.1376 -12.1376 -11.9028 -11.9028 -7.3875 -7.3875 -7.2357 -7.2357 -4.9279 -4.9279 -4.6361 -4.6361 -1.3547 -1.3547 -1.0748 -1.0748 -1.0318 -1.0318 0.0477 0.0477 0.1909 0.1909 0.2442 0.2442 0.4390 0.4390 0.5479 0.5479 6.6021 6.6021 8.7361 8.7361 9.0140 9.0140 9.2552 9.2552 k = 0.1622-0.1401-0.0000 ( 5872 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3901 -20.3901 -20.3376 -20.3376 -12.1362 -12.1362 -11.8995 -11.8995 -7.3939 -7.3939 -7.2367 -7.2367 -4.9423 -4.9423 -4.6400 -4.6400 -1.3598 -1.3598 -1.0520 -1.0520 -1.0343 -1.0343 0.0816 0.0816 0.1999 0.1999 0.2467 0.2467 0.4401 0.4401 0.5483 0.5483 6.5373 6.5373 8.6851 8.6851 9.0107 9.0107 9.2167 9.2167 k = 0.1486-0.1285-0.0000 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3910 -20.3910 -20.3368 -20.3368 -12.1349 -12.1349 -11.8964 -11.8964 -7.4000 -7.4000 -7.2376 -7.2376 -4.9559 -4.9559 -4.6435 -4.6435 -1.3646 -1.3646 -1.0377 -1.0377 -1.0295 -1.0295 0.1121 0.1121 0.2104 0.2104 0.2492 0.2492 0.4412 0.4412 0.5487 0.5487 6.4759 6.4759 8.6372 8.6372 9.0074 9.0074 9.1798 9.1798 k = 0.1351-0.1168-0.0000 ( 5872 PWs) bands (ev): -72.4529 -72.4529 -39.3988 -39.3988 -39.1223 -39.1223 -39.0958 -39.0958 -20.3919 -20.3919 -20.3361 -20.3361 -12.1337 -12.1337 -11.8934 -11.8934 -7.4057 -7.4057 -7.2385 -7.2385 -4.9687 -4.9687 -4.6467 -4.6467 -1.3691 -1.3691 -1.0396 -1.0396 -1.0097 -1.0097 0.1381 0.1381 0.2229 0.2229 0.2522 0.2522 0.4423 0.4423 0.5490 0.5490 6.4184 6.4184 8.5929 8.5929 9.0041 9.0041 9.1447 9.1447 k = 0.1216-0.1051-0.0000 ( 5875 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3928 -20.3928 -20.3354 -20.3354 -12.1326 -12.1326 -11.8907 -11.8907 -7.4109 -7.4109 -7.2394 -7.2394 -4.9804 -4.9804 -4.6496 -4.6496 -1.3733 -1.3733 -1.0418 -1.0418 -0.9910 -0.9910 0.1586 0.1586 0.2365 0.2365 0.2569 0.2569 0.4433 0.4433 0.5493 0.5493 6.3649 6.3649 8.5522 8.5522 9.0009 9.0009 9.1120 9.1120 k = 0.1081-0.0934-0.0000 ( 5879 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3936 -20.3936 -20.3348 -20.3348 -12.1316 -12.1316 -11.8882 -11.8882 -7.4158 -7.4158 -7.2402 -7.2402 -4.9912 -4.9912 -4.6522 -4.6522 -1.3772 -1.3772 -1.0438 -1.0438 -0.9739 -0.9739 0.1737 0.1737 0.2463 0.2463 0.2678 0.2678 0.4442 0.4442 0.5495 0.5495 6.3160 6.3160 8.5154 8.5154 8.9979 8.9979 9.0819 9.0819 k = 0.0946-0.0817-0.0000 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3943 -20.3943 -20.3343 -20.3343 -12.1307 -12.1307 -11.8859 -11.8859 -7.4201 -7.4201 -7.2409 -7.2409 -5.0008 -5.0008 -4.6545 -4.6545 -1.3806 -1.3806 -1.0456 -1.0456 -0.9586 -0.9586 0.1847 0.1847 0.2504 0.2504 0.2851 0.2851 0.4450 0.4450 0.5497 0.5497 6.2719 6.2719 8.4825 8.4825 8.9951 8.9951 9.0548 9.0548 k = 0.0811-0.0701-0.0000 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3949 -20.3949 -20.3338 -20.3338 -12.1299 -12.1299 -11.8839 -11.8839 -7.4240 -7.4240 -7.2415 -7.2415 -5.0093 -5.0093 -4.6564 -4.6564 -1.3836 -1.3836 -1.0471 -1.0471 -0.9452 -0.9452 0.1929 0.1929 0.2525 0.2525 0.3037 0.3037 0.4457 0.4457 0.5500 0.5500 6.2329 6.2329 8.4538 8.4538 8.9925 8.9925 9.0308 9.0308 k = 0.0676-0.0584-0.0000 ( 5873 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3954 -20.3954 -20.3334 -20.3334 -12.1292 -12.1292 -11.8822 -11.8822 -7.4272 -7.4272 -7.2420 -7.2420 -5.0165 -5.0165 -4.6580 -4.6580 -1.3862 -1.3862 -1.0485 -1.0485 -0.9336 -0.9336 0.1991 0.1991 0.2538 0.2538 0.3212 0.3212 0.4463 0.4463 0.5502 0.5502 6.1995 6.1995 8.4293 8.4293 8.9903 8.9903 9.0101 9.0101 k = 0.0541-0.0467-0.0000 ( 5875 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3958 -20.3958 -20.3331 -20.3331 -12.1287 -12.1287 -11.8808 -11.8808 -7.4300 -7.4300 -7.2425 -7.2425 -5.0225 -5.0225 -4.6594 -4.6594 -1.3884 -1.3884 -1.0496 -1.0496 -0.9241 -0.9241 0.2039 0.2039 0.2547 0.2547 0.3363 0.3363 0.4468 0.4468 0.5504 0.5504 6.1717 6.1717 8.4091 8.4091 8.9884 8.9884 8.9931 8.9931 k = 0.0405-0.0350-0.0000 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3962 -20.3962 -20.3328 -20.3328 -12.1282 -12.1282 -11.8796 -11.8796 -7.4321 -7.4321 -7.2428 -7.2428 -5.0272 -5.0272 -4.6605 -4.6605 -1.3900 -1.3900 -1.0505 -1.0505 -0.9166 -0.9166 0.2075 0.2075 0.2553 0.2553 0.3484 0.3484 0.4471 0.4471 0.5506 0.5506 6.1499 6.1499 8.3934 8.3934 8.9796 8.9796 8.9869 8.9869 k = 0.0270-0.0234-0.0000 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3964 -20.3964 -20.3326 -20.3326 -12.1279 -12.1279 -11.8788 -11.8788 -7.4337 -7.4337 -7.2431 -7.2431 -5.0305 -5.0305 -4.6612 -4.6612 -1.3913 -1.3913 -1.0511 -1.0511 -0.9112 -0.9112 0.2100 0.2100 0.2556 0.2556 0.3573 0.3573 0.4474 0.4474 0.5508 0.5508 6.1341 6.1341 8.3821 8.3821 8.9700 8.9700 8.9858 8.9858 k = 0.0135-0.0117-0.0000 ( 5885 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1277 -12.1277 -11.8783 -11.8783 -7.4346 -7.4346 -7.2432 -7.2432 -5.0326 -5.0326 -4.6616 -4.6616 -1.3920 -1.3920 -1.0515 -1.0515 -0.9080 -0.9080 0.2115 0.2115 0.2558 0.2558 0.3628 0.3628 0.4476 0.4476 0.5509 0.5509 6.1246 6.1246 8.3753 8.3753 8.9642 8.9642 8.9852 8.9852 k = 0.0000 0.0000 0.0000 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8782 -11.8782 -7.4349 -7.4349 -7.2433 -7.2433 -5.0333 -5.0333 -4.6618 -4.6618 -1.3923 -1.3923 -1.0516 -1.0516 -0.9069 -0.9069 0.2120 0.2120 0.2559 0.2559 0.3646 0.3646 0.4476 0.4476 0.5509 0.5509 6.1215 6.1215 8.3730 8.3730 8.9622 8.9622 8.9850 8.9850 k = 0.0000 0.0000 0.0000 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8782 -11.8782 -7.4349 -7.4349 -7.2433 -7.2433 -5.0333 -5.0333 -4.6618 -4.6618 -1.3923 -1.3923 -1.0516 -1.0516 -0.9069 -0.9069 0.2120 0.2120 0.2559 0.2559 0.3646 0.3646 0.4476 0.4476 0.5509 0.5509 6.1215 6.1215 8.3730 8.3730 8.9622 8.9622 8.9850 8.9850 k = 0.0172 0.0025-0.0021 ( 5886 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8784 -11.8784 -7.4346 -7.4346 -7.2433 -7.2433 -5.0327 -5.0327 -4.6616 -4.6616 -1.3920 -1.3920 -1.0517 -1.0517 -0.9069 -0.9069 0.2109 0.2109 0.2554 0.2554 0.3637 0.3637 0.4475 0.4475 0.5503 0.5503 6.1248 6.1248 8.3751 8.3751 8.9640 8.9640 8.9849 8.9849 k = 0.0345 0.0051-0.0042 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3964 -20.3964 -20.3326 -20.3326 -12.1276 -12.1276 -11.8790 -11.8790 -7.4338 -7.4338 -7.2434 -7.2434 -5.0309 -5.0309 -4.6611 -4.6611 -1.3912 -1.3912 -1.0522 -1.0522 -0.9068 -0.9068 0.2077 0.2077 0.2538 0.2538 0.3609 0.3609 0.4474 0.4474 0.5482 0.5482 6.1349 6.1349 8.3813 8.3813 8.9688 8.9688 8.9852 8.9852 k = 0.0517 0.0076-0.0062 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3962 -20.3962 -20.3328 -20.3328 -12.1275 -12.1275 -11.8800 -11.8800 -7.4324 -7.4324 -7.2435 -7.2435 -5.0279 -5.0279 -4.6601 -4.6601 -1.3900 -1.3900 -1.0529 -1.0529 -0.9067 -0.9067 0.2023 0.2023 0.2511 0.2511 0.3564 0.3564 0.4470 0.4470 0.5449 0.5449 6.1516 6.1516 8.3915 8.3915 8.9740 8.9740 8.9884 8.9884 k = 0.0690 0.0101-0.0083 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3958 -20.3958 -20.3331 -20.3331 -12.1274 -12.1274 -11.8814 -11.8814 -7.4305 -7.4305 -7.2436 -7.2436 -5.0239 -5.0239 -4.6589 -4.6589 -1.3882 -1.3882 -1.0540 -1.0540 -0.9066 -0.9066 0.1946 0.1946 0.2474 0.2474 0.3503 0.3503 0.4466 0.4466 0.5407 0.5407 6.1747 6.1747 8.4054 8.4054 8.9754 8.9754 8.9991 8.9991 k = 0.0862 0.0126-0.0104 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3954 -20.3954 -20.3335 -20.3335 -12.1273 -12.1273 -11.8832 -11.8832 -7.4281 -7.4281 -7.2438 -7.2438 -5.0187 -5.0187 -4.6573 -4.6573 -1.3859 -1.3859 -1.0554 -1.0554 -0.9064 -0.9064 0.1844 0.1844 0.2425 0.2425 0.3429 0.3429 0.4459 0.4459 0.5356 0.5356 6.2042 6.2042 8.4226 8.4226 8.9746 8.9746 9.0159 9.0159 k = 0.1034 0.0152-0.0125 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3948 -20.3948 -20.3340 -20.3340 -12.1272 -12.1272 -11.8853 -11.8853 -7.4251 -7.4251 -7.2440 -7.2440 -5.0124 -5.0124 -4.6554 -4.6554 -1.3831 -1.3831 -1.0571 -1.0571 -0.9061 -0.9061 0.1714 0.1714 0.2367 0.2367 0.3344 0.3344 0.4451 0.4451 0.5300 0.5300 6.2396 6.2396 8.4425 8.4425 8.9734 8.9734 9.0371 9.0371 k = 0.1207 0.0177-0.0146 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3942 -20.3942 -20.3345 -20.3345 -12.1270 -12.1270 -11.8878 -11.8878 -7.4217 -7.4217 -7.2443 -7.2443 -5.0051 -5.0051 -4.6532 -4.6532 -1.3798 -1.3798 -1.0590 -1.0590 -0.9058 -0.9058 0.1556 0.1556 0.2298 0.2298 0.3252 0.3252 0.4441 0.4441 0.5240 0.5240 6.2809 6.2809 8.4643 8.4643 8.9730 8.9730 9.0622 9.0622 k = 0.1379 0.0202-0.0166 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3935 -20.3935 -20.3351 -20.3351 -12.1268 -12.1268 -11.8906 -11.8906 -7.4178 -7.4178 -7.2447 -7.2447 -4.9969 -4.9969 -4.6507 -4.6507 -1.3760 -1.3760 -1.0614 -1.0614 -0.9055 -0.9055 0.1367 0.1367 0.2223 0.2223 0.3156 0.3156 0.4429 0.4429 0.5180 0.5180 6.3276 6.3276 8.4869 8.4869 8.9742 8.9742 9.0910 9.0910 k = 0.1552 0.0227-0.0187 ( 5885 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3926 -20.3926 -20.3358 -20.3358 -12.1265 -12.1265 -11.8937 -11.8937 -7.4136 -7.4136 -7.2451 -7.2451 -4.9879 -4.9879 -4.6480 -4.6480 -1.3717 -1.3717 -1.0640 -1.0640 -0.9050 -0.9050 0.1146 0.1146 0.2141 0.2141 0.3057 0.3057 0.4415 0.4415 0.5121 0.5121 6.3795 6.3795 8.5090 8.5090 8.9780 8.9780 9.1231 9.1231 k = 0.1724 0.0253-0.0208 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3918 -20.3918 -20.3366 -20.3366 -12.1262 -12.1262 -11.8970 -11.8970 -7.4089 -7.4089 -7.2457 -7.2457 -4.9780 -4.9780 -4.6451 -4.6451 -1.3670 -1.3670 -1.0670 -1.0670 -0.9045 -0.9045 0.0896 0.0896 0.2055 0.2055 0.2957 0.2957 0.4399 0.4399 0.5064 0.5064 6.4361 6.4361 8.5290 8.5290 8.9857 8.9857 9.1585 9.1585 k = 0.1897 0.0278-0.0229 ( 5879 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3908 -20.3908 -20.3374 -20.3374 -12.1259 -12.1259 -11.9006 -11.9006 -7.4039 -7.4039 -7.2463 -7.2463 -4.9675 -4.9675 -4.6421 -4.6421 -1.3617 -1.3617 -1.0703 -1.0703 -0.9039 -0.9039 0.0618 0.0618 0.1967 0.1967 0.2857 0.2857 0.4381 0.4381 0.5011 0.5011 6.4971 6.4971 8.5451 8.5451 8.9985 8.9985 9.1970 9.1970 k = 0.2069 0.0303-0.0249 ( 5879 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3897 -20.3897 -20.3383 -20.3383 -12.1255 -12.1255 -11.9043 -11.9043 -7.3986 -7.3986 -7.2471 -7.2471 -4.9564 -4.9564 -4.6389 -4.6389 -1.3559 -1.3559 -1.0740 -1.0740 -0.9032 -0.9032 0.0316 0.0316 0.1878 0.1878 0.2758 0.2758 0.4361 0.4361 0.4961 0.4961 6.5620 6.5620 8.5559 8.5559 9.0174 9.0174 9.2383 9.2383 k = 0.2241 0.0328-0.0270 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3886 -20.3886 -20.3393 -20.3393 -12.1251 -12.1251 -11.9081 -11.9081 -7.3930 -7.3930 -7.2480 -7.2480 -4.9448 -4.9448 -4.6357 -4.6357 -1.3497 -1.3497 -1.0780 -1.0780 -0.9023 -0.9023 -0.0005 -0.0005 0.1790 0.1790 0.2658 0.2658 0.4340 0.4340 0.4916 0.4916 6.6306 6.6306 8.5600 8.5600 9.0429 9.0429 9.2823 9.2823 k = 0.2414 0.0354-0.0291 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3874 -20.3874 -20.3403 -20.3403 -12.1246 -12.1246 -11.9121 -11.9121 -7.3873 -7.3873 -7.2491 -7.2491 -4.9329 -4.9329 -4.6325 -4.6325 -1.3429 -1.3429 -1.0824 -1.0824 -0.9014 -0.9014 -0.0340 -0.0340 0.1705 0.1705 0.2558 0.2558 0.4316 0.4316 0.4875 0.4875 6.7023 6.7023 8.5571 8.5571 9.0747 9.0747 9.3287 9.3287 k = 0.2586 0.0379-0.0312 ( 5885 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3861 -20.3861 -20.3414 -20.3414 -12.1241 -12.1241 -11.9161 -11.9161 -7.3813 -7.3813 -7.2503 -7.2503 -4.9207 -4.9207 -4.6292 -4.6292 -1.3358 -1.3358 -1.0872 -1.0872 -0.9002 -0.9002 -0.0685 -0.0685 0.1622 0.1622 0.2459 0.2459 0.4292 0.4292 0.4838 0.4838 6.7768 6.7768 8.5473 8.5473 9.1118 9.1118 9.3774 9.3774 k = 0.2759 0.0404-0.0333 ( 5888 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3848 -20.3848 -20.3426 -20.3426 -12.1235 -12.1235 -11.9201 -11.9201 -7.3752 -7.3752 -7.2517 -7.2517 -4.9085 -4.9085 -4.6261 -4.6261 -1.3281 -1.3281 -1.0924 -1.0924 -0.8989 -0.8989 -0.1035 -0.1035 0.1544 0.1544 0.2360 0.2360 0.4266 0.4266 0.4806 0.4806 6.8536 6.8536 8.5308 8.5308 9.1530 9.1530 9.4282 9.4282 k = 0.2931 0.0429-0.0353 ( 5891 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3834 -20.3834 -20.3438 -20.3438 -12.1230 -12.1230 -11.9241 -11.9241 -7.3690 -7.3690 -7.2533 -7.2533 -4.8963 -4.8963 -4.6230 -4.6230 -1.3200 -1.3200 -1.0980 -1.0980 -0.8974 -0.8974 -0.1385 -0.1385 0.1471 0.1471 0.2262 0.2262 0.4240 0.4240 0.4778 0.4778 6.9324 6.9324 8.5085 8.5085 9.1967 9.1967 9.4807 9.4807 k = 0.3103 0.0455-0.0374 ( 5889 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3820 -20.3820 -20.3451 -20.3451 -12.1224 -12.1224 -11.9280 -11.9280 -7.3628 -7.3628 -7.2551 -7.2551 -4.8842 -4.8842 -4.6201 -4.6201 -1.3115 -1.3115 -1.1040 -1.1040 -0.8957 -0.8957 -0.1730 -0.1730 0.1404 0.1404 0.2166 0.2166 0.4214 0.4214 0.4753 0.4753 7.0128 7.0128 8.4807 8.4807 9.2413 9.2413 9.5347 9.5347 k = 0.3276 0.0480-0.0395 ( 5886 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3805 -20.3805 -20.3464 -20.3464 -12.1217 -12.1217 -11.9318 -11.9318 -7.3566 -7.3566 -7.2571 -7.2571 -4.8725 -4.8725 -4.6174 -4.6174 -1.3026 -1.3026 -1.1104 -1.1104 -0.8939 -0.8939 -0.2065 -0.2065 0.1344 0.1344 0.2072 0.2072 0.4189 0.4189 0.4732 0.4732 7.0942 7.0942 8.4479 8.4479 9.2855 9.2855 9.5898 9.5898 k = 0.3448 0.0505-0.0416 ( 5887 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3790 -20.3790 -20.3478 -20.3478 -12.1211 -12.1211 -11.9354 -11.9354 -7.3504 -7.3504 -7.2593 -7.2593 -4.8614 -4.8614 -4.6149 -4.6149 -1.2933 -1.2933 -1.1172 -1.1172 -0.8919 -0.8919 -0.2387 -0.2387 0.1291 0.1291 0.1980 0.1980 0.4165 0.4165 0.4714 0.4714 7.1764 7.1764 8.4104 8.4104 9.3282 9.3282 9.6453 9.6453 k = 0.3621 0.0530-0.0437 ( 5891 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3775 -20.3775 -20.3492 -20.3492 -12.1205 -12.1205 -11.9388 -11.9388 -7.3443 -7.3443 -7.2617 -7.2617 -4.8508 -4.8508 -4.6127 -4.6127 -1.2837 -1.2837 -1.1244 -1.1244 -0.8897 -0.8897 -0.2690 -0.2690 0.1246 0.1246 0.1892 0.1892 0.4142 0.4142 0.4698 0.4698 7.2589 7.2589 8.3686 8.3686 9.3683 9.3683 9.7004 9.7004 k = 0.3793 0.0556-0.0457 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3759 -20.3759 -20.3506 -20.3506 -12.1199 -12.1199 -11.9419 -11.9419 -7.3383 -7.3383 -7.2643 -7.2643 -4.8411 -4.8411 -4.6107 -4.6107 -1.2739 -1.2739 -1.1321 -1.1321 -0.8875 -0.8875 -0.2971 -0.2971 0.1208 0.1208 0.1810 0.1810 0.4121 0.4121 0.4685 0.4685 7.3414 7.3414 8.3228 8.3228 9.4051 9.4051 9.7540 9.7540 k = 0.3966 0.0581-0.0478 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3744 -20.3744 -20.3520 -20.3520 -12.1194 -12.1194 -11.9447 -11.9447 -7.3326 -7.3326 -7.2670 -7.2670 -4.8323 -4.8323 -4.6090 -4.6090 -1.2638 -1.2638 -1.1401 -1.1401 -0.8853 -0.8853 -0.3225 -0.3225 0.1179 0.1179 0.1732 0.1732 0.4102 0.4102 0.4674 0.4674 7.4233 7.4233 8.2730 8.2730 9.4381 9.4381 9.8049 9.8049 k = 0.4138 0.0606-0.0499 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3729 -20.3729 -20.3534 -20.3534 -12.1189 -12.1189 -11.9471 -11.9471 -7.3271 -7.3271 -7.2699 -7.2699 -4.8245 -4.8245 -4.6076 -4.6076 -1.2535 -1.2535 -1.1485 -1.1485 -0.8831 -0.8831 -0.3449 -0.3449 0.1158 0.1158 0.1662 0.1662 0.4085 0.4085 0.4664 0.4664 7.5044 7.5044 8.2195 8.2195 9.4667 9.4667 9.8516 9.8516 k = 0.4310 0.0631-0.0520 ( 5892 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3715 -20.3715 -20.3548 -20.3548 -12.1184 -12.1184 -11.9492 -11.9492 -7.3221 -7.3221 -7.2728 -7.2728 -4.8180 -4.8180 -4.6065 -4.6065 -1.2433 -1.2433 -1.1572 -1.1572 -0.8811 -0.8811 -0.3638 -0.3638 0.1143 0.1143 0.1600 0.1600 0.4071 0.4071 0.4657 0.4657 7.5841 7.5841 8.1628 8.1628 9.4905 9.4905 9.8927 9.8927 k = 0.4483 0.0657-0.0540 ( 5893 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3701 -20.3701 -20.3561 -20.3561 -12.1181 -12.1181 -11.9508 -11.9508 -7.3175 -7.3175 -7.2756 -7.2756 -4.8128 -4.8128 -4.6056 -4.6056 -1.2332 -1.2332 -1.1660 -1.1660 -0.8794 -0.8794 -0.3789 -0.3789 0.1135 0.1135 0.1549 0.1549 0.4061 0.4061 0.4652 0.4652 7.6617 7.6617 8.1031 8.1031 9.5094 9.5094 9.9266 9.9266 k = 0.4655 0.0682-0.0561 ( 5900 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3690 -20.3690 -20.3572 -20.3572 -12.1178 -12.1178 -11.9520 -11.9520 -7.3138 -7.3138 -7.2781 -7.2781 -4.8090 -4.8090 -4.6050 -4.6050 -1.2235 -1.2235 -1.1747 -1.1747 -0.8780 -0.8780 -0.3900 -0.3900 0.1131 0.1131 0.1510 0.1510 0.4053 0.4053 0.4648 0.4648 7.7362 7.7362 8.0416 8.0416 9.5231 9.5231 9.9520 9.9520 k = 0.4828 0.0707-0.0582 ( 5902 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3681 -20.3681 -20.3580 -20.3580 -12.1177 -12.1177 -11.9527 -11.9527 -7.3113 -7.3113 -7.2799 -7.2799 -4.8066 -4.8066 -4.6046 -4.6046 -1.2153 -1.2153 -1.1824 -1.1824 -0.8772 -0.8772 -0.3967 -0.3967 0.1130 0.1130 0.1485 0.1485 0.4048 0.4048 0.4645 0.4645 7.8036 7.8036 7.9819 7.9819 9.5314 9.5314 9.9677 9.9677 k = 0.5000 0.0732-0.0603 ( 5902 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3678 -20.3678 -20.3583 -20.3583 -12.1176 -12.1176 -11.9530 -11.9530 -7.3104 -7.3104 -7.2805 -7.2805 -4.8059 -4.8059 -4.6045 -4.6045 -1.2115 -1.2115 -1.1860 -1.1860 -0.8769 -0.8769 -0.3990 -0.3990 0.1130 0.1130 0.1476 0.1476 0.4046 0.4046 0.4645 0.4645 7.8412 7.8412 7.9469 7.9469 9.5342 9.5342 9.9730 9.9730 k = 0.5000 0.0732 0.7235 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3333 -20.3333 -20.3238 -20.3238 -11.8545 -11.8545 -11.7633 -11.7633 -7.3995 -7.3995 -7.3543 -7.3543 -4.8415 -4.8415 -4.5091 -4.5091 -1.7813 -1.7813 -1.7737 -1.7737 -1.1342 -1.1342 -0.9915 -0.9915 -0.3599 -0.3599 -0.0171 -0.0171 0.2764 0.2764 0.3323 0.3323 8.6618 8.6618 8.7606 8.7606 9.9762 9.9762 10.2333 10.2333 k = 0.4900 0.0718 0.7091 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3334 -20.3334 -20.3238 -20.3238 -11.8549 -11.8549 -11.7633 -11.7633 -7.3996 -7.3996 -7.3542 -7.3542 -4.8416 -4.8416 -4.5092 -4.5092 -1.7834 -1.7834 -1.7698 -1.7698 -1.1336 -1.1336 -0.9907 -0.9907 -0.3605 -0.3605 -0.0164 -0.0164 0.2749 0.2749 0.3331 0.3331 8.6634 8.6634 8.7599 8.7599 9.9766 9.9766 10.2333 10.2333 k = 0.4800 0.0703 0.6946 ( 5883 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3338 -20.3338 -20.3236 -20.3236 -11.8560 -11.8560 -11.7635 -11.7635 -7.3998 -7.3998 -7.3537 -7.3537 -4.8417 -4.8417 -4.5096 -4.5096 -1.7857 -1.7857 -1.7620 -1.7620 -1.1319 -1.1319 -0.9882 -0.9882 -0.3625 -0.3625 -0.0144 -0.0144 0.2707 0.2707 0.3352 0.3352 8.6681 8.6681 8.7576 8.7576 9.9780 9.9780 10.2331 10.2331 k = 0.4700 0.0688 0.6801 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3343 -20.3343 -20.3234 -20.3234 -11.8577 -11.8577 -11.7638 -11.7638 -7.4001 -7.4001 -7.3530 -7.3530 -4.8420 -4.8420 -4.5101 -4.5101 -1.7866 -1.7866 -1.7520 -1.7520 -1.1291 -1.1291 -0.9842 -0.9842 -0.3657 -0.3657 -0.0112 -0.0112 0.2643 0.2643 0.3380 0.3380 8.6759 8.6759 8.7536 8.7536 9.9804 9.9804 10.2326 10.2326 k = 0.4600 0.0674 0.6657 ( 5878 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3351 -20.3351 -20.3231 -20.3231 -11.8602 -11.8602 -11.7643 -11.7643 -7.4006 -7.4006 -7.3520 -7.3520 -4.8425 -4.8425 -4.5109 -4.5109 -1.7859 -1.7859 -1.7401 -1.7401 -1.1251 -1.1251 -0.9785 -0.9785 -0.3701 -0.3701 -0.0067 -0.0067 0.2564 0.2564 0.3411 0.3411 8.6866 8.6866 8.7478 8.7478 9.9836 9.9836 10.2317 10.2317 k = 0.4500 0.0659 0.6512 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3360 -20.3360 -20.3228 -20.3228 -11.8633 -11.8633 -11.7649 -11.7649 -7.4011 -7.4011 -7.3508 -7.3508 -4.8431 -4.8431 -4.5119 -4.5119 -1.7835 -1.7835 -1.7264 -1.7264 -1.1200 -1.1200 -0.9712 -0.9712 -0.3755 -0.3755 -0.0012 -0.0012 0.2474 0.2474 0.3440 0.3440 8.6994 8.6994 8.7403 8.7403 9.9878 9.9878 10.2301 10.2301 k = 0.4400 0.0644 0.6367 ( 5866 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1239 -39.1239 -39.0961 -39.0961 -20.3371 -20.3371 -20.3225 -20.3225 -11.8670 -11.8670 -11.7657 -11.7657 -7.4018 -7.4018 -7.3492 -7.3492 -4.8438 -4.8438 -4.5131 -4.5131 -1.7795 -1.7795 -1.7109 -1.7109 -1.1138 -1.1138 -0.9622 -0.9622 -0.3819 -0.3819 0.0053 0.0053 0.2377 0.2377 0.3466 0.3466 8.7104 8.7104 8.7344 8.7344 9.9928 9.9928 10.2277 10.2277 k = 0.4300 0.0630 0.6222 ( 5867 PWs) bands (ev): -72.4528 -72.4528 -39.3999 -39.3999 -39.1238 -39.1238 -39.0961 -39.0961 -20.3383 -20.3383 -20.3222 -20.3222 -11.8713 -11.8713 -11.7666 -11.7666 -7.4025 -7.4025 -7.3475 -7.3475 -4.8447 -4.8447 -4.5145 -4.5145 -1.7740 -1.7740 -1.6936 -1.6936 -1.1063 -1.1063 -0.9517 -0.9517 -0.3892 -0.3892 0.0126 0.0126 0.2275 0.2275 0.3488 0.3488 8.7050 8.7050 8.7442 8.7442 9.9987 9.9987 10.2245 10.2245 k = 0.4200 0.0615 0.6078 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3396 -20.3396 -20.3220 -20.3220 -11.8762 -11.8762 -11.7678 -11.7678 -7.4033 -7.4033 -7.3456 -7.3456 -4.8458 -4.8458 -4.5161 -4.5161 -1.7669 -1.7669 -1.6748 -1.6748 -1.0977 -1.0977 -0.9395 -0.9395 -0.3972 -0.3972 0.0206 0.0206 0.2170 0.2170 0.3504 0.3504 8.6874 8.6874 8.7645 8.7645 10.0052 10.0052 10.2207 10.2207 k = 0.4100 0.0600 0.5933 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3409 -20.3409 -20.3218 -20.3218 -11.8815 -11.8815 -11.7691 -11.7691 -7.4042 -7.4042 -7.3435 -7.3435 -4.8472 -4.8472 -4.5180 -4.5180 -1.7585 -1.7585 -1.6544 -1.6544 -1.0879 -1.0879 -0.9257 -0.9257 -0.4057 -0.4057 0.0292 0.0292 0.2064 0.2064 0.3515 0.3515 8.6638 8.6638 8.7886 8.7886 10.0122 10.0122 10.2166 10.2166 k = 0.4000 0.0586 0.5788 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1238 -39.1238 -39.0961 -39.0961 -20.3423 -20.3423 -20.3216 -20.3216 -11.8874 -11.8874 -11.7707 -11.7707 -7.4050 -7.4050 -7.3412 -7.3412 -4.8488 -4.8488 -4.5201 -4.5201 -1.7487 -1.7487 -1.6325 -1.6325 -1.0769 -1.0769 -0.9103 -0.9103 -0.4147 -0.4147 0.0383 0.0383 0.1959 0.1959 0.3520 0.3520 8.6347 8.6347 8.8152 8.8152 10.0193 10.0193 10.2123 10.2123 k = 0.3900 0.0571 0.5644 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3438 -20.3438 -20.3215 -20.3215 -11.8936 -11.8936 -11.7725 -11.7725 -7.4060 -7.4060 -7.3388 -7.3388 -4.8506 -4.8506 -4.5224 -4.5224 -1.7376 -1.7376 -1.6094 -1.6094 -1.0646 -1.0646 -0.8933 -0.8933 -0.4239 -0.4239 0.0477 0.0477 0.1857 0.1857 0.3522 0.3522 8.6000 8.6000 8.8438 8.8438 10.0260 10.0260 10.2083 10.2083 k = 0.3800 0.0557 0.5499 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3998 -39.3998 -39.1237 -39.1237 -39.0961 -39.0961 -20.3454 -20.3454 -20.3214 -20.3214 -11.9002 -11.9002 -11.7745 -11.7745 -7.4069 -7.4069 -7.3362 -7.3362 -4.8528 -4.8528 -4.5249 -4.5249 -1.7254 -1.7254 -1.5851 -1.5851 -1.0510 -1.0510 -0.8749 -0.8749 -0.4332 -0.4332 0.0574 0.0574 0.1759 0.1759 0.3519 0.3519 8.5596 8.5596 8.8739 8.8739 10.0313 10.0313 10.2047 10.2047 k = 0.3700 0.0542 0.5354 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1237 -39.1237 -39.0961 -39.0961 -20.3470 -20.3470 -20.3214 -20.3214 -11.9072 -11.9072 -11.7767 -11.7767 -7.4079 -7.4079 -7.3335 -7.3335 -4.8552 -4.8552 -4.5277 -4.5277 -1.7122 -1.7122 -1.5600 -1.5600 -1.0361 -1.0361 -0.8550 -0.8550 -0.4424 -0.4424 0.0672 0.0672 0.1667 0.1667 0.3512 0.3512 8.5137 8.5137 8.9053 8.9053 10.0342 10.0342 10.2015 10.2015 k = 0.3600 0.0527 0.5209 ( 5877 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3487 -20.3487 -20.3214 -20.3214 -11.9145 -11.9145 -11.7791 -11.7791 -7.4088 -7.4088 -7.3307 -7.3307 -4.8580 -4.8580 -4.5306 -4.5306 -1.6980 -1.6980 -1.5341 -1.5341 -1.0198 -1.0198 -0.8337 -0.8337 -0.4512 -0.4512 0.0769 0.0769 0.1582 0.1582 0.3504 0.3504 8.4623 8.4623 8.9373 8.9373 10.0334 10.0334 10.1986 10.1986 k = 0.3500 0.0513 0.5065 ( 5876 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3504 -20.3504 -20.3215 -20.3215 -11.9221 -11.9221 -11.7817 -11.7817 -7.4098 -7.4098 -7.3277 -7.3277 -4.8611 -4.8611 -4.5338 -4.5338 -1.6829 -1.6829 -1.5078 -1.5078 -1.0021 -1.0021 -0.8112 -0.8112 -0.4594 -0.4594 0.0865 0.0865 0.1507 0.1507 0.3493 0.3493 8.4056 8.4056 8.9696 8.9696 10.0279 10.0279 10.1955 10.1955 k = 0.3400 0.0498 0.4920 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3997 -39.3997 -39.1236 -39.1236 -39.0961 -39.0961 -20.3522 -20.3522 -20.3216 -20.3216 -11.9299 -11.9299 -11.7845 -11.7845 -7.4108 -7.4108 -7.3247 -7.3247 -4.8645 -4.8645 -4.5372 -4.5372 -1.6672 -1.6672 -1.4813 -1.4813 -0.9831 -0.9831 -0.7877 -0.7877 -0.4663 -0.4663 0.0955 0.0955 0.1447 0.1447 0.3481 0.3481 8.3441 8.3441 9.0015 9.0015 10.0172 10.0172 10.1911 10.1911 k = 0.3300 0.0483 0.4775 ( 5879 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3539 -20.3539 -20.3218 -20.3218 -11.9379 -11.9379 -11.7875 -11.7875 -7.4118 -7.4118 -7.3216 -7.3216 -4.8683 -4.8683 -4.5407 -4.5407 -1.6509 -1.6509 -1.4549 -1.4549 -0.9627 -0.9627 -0.7635 -0.7635 -0.4716 -0.4716 0.1033 0.1033 0.1406 0.1406 0.3469 0.3469 8.2781 8.2781 9.0324 9.0324 10.0013 10.0013 10.1843 10.1843 k = 0.3200 0.0469 0.4631 ( 5883 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1235 -39.1235 -39.0961 -39.0961 -20.3558 -20.3558 -20.3220 -20.3220 -11.9460 -11.9460 -11.7907 -11.7907 -7.4128 -7.4128 -7.3184 -7.3184 -4.8725 -4.8725 -4.5445 -4.5445 -1.6341 -1.6341 -1.4290 -1.4290 -0.9412 -0.9412 -0.7389 -0.7389 -0.4746 -0.4746 0.1089 0.1089 0.1398 0.1398 0.3458 0.3458 8.2081 8.2081 9.0613 9.0613 9.9807 9.9807 10.1741 10.1741 k = 0.3100 0.0454 0.4486 ( 5880 PWs) bands (ev): -72.4528 -72.4528 -39.3996 -39.3996 -39.1234 -39.1234 -39.0960 -39.0960 -20.3576 -20.3576 -20.3222 -20.3222 -11.9543 -11.9543 -11.7940 -11.7940 -7.4138 -7.4138 -7.3152 -7.3152 -4.8769 -4.8769 -4.5484 -4.5484 -1.6170 -1.6170 -1.4036 -1.4036 -0.9188 -0.9188 -0.7142 -0.7142 -0.4742 -0.4742 0.1112 0.1112 0.1430 0.1430 0.3447 0.3447 8.1345 8.1345 9.0873 9.0873 9.9562 9.9562 10.1603 10.1603 k = 0.3000 0.0439 0.4341 ( 5875 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1234 -39.1234 -39.0960 -39.0960 -20.3594 -20.3594 -20.3225 -20.3225 -11.9627 -11.9627 -11.7974 -11.7974 -7.4148 -7.4148 -7.3119 -7.3119 -4.8818 -4.8818 -4.5526 -4.5526 -1.5996 -1.5996 -1.3792 -1.3792 -0.8962 -0.8962 -0.6897 -0.6897 -0.4696 -0.4696 0.1113 0.1113 0.1494 0.1494 0.3439 0.3439 8.0578 8.0578 9.1094 9.1094 9.9285 9.9285 10.1433 10.1433 k = 0.2900 0.0425 0.4197 ( 5873 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3613 -20.3613 -20.3228 -20.3228 -11.9711 -11.9711 -11.8009 -11.8009 -7.4158 -7.4158 -7.3085 -7.3085 -4.8869 -4.8869 -4.5568 -4.5568 -1.5823 -1.5823 -1.3560 -1.3560 -0.8742 -0.8742 -0.6656 -0.6656 -0.4599 -0.4599 0.1107 0.1107 0.1575 0.1575 0.3434 0.3434 7.9784 7.9784 9.1265 9.1265 9.8984 9.8984 10.1244 10.1244 k = 0.2800 0.0410 0.4052 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3995 -39.3995 -39.1233 -39.1233 -39.0960 -39.0960 -20.3632 -20.3632 -20.3231 -20.3231 -11.9796 -11.9796 -11.8046 -11.8046 -7.4168 -7.4168 -7.3052 -7.3052 -4.8924 -4.8924 -4.5612 -4.5612 -1.5650 -1.5650 -1.3341 -1.3341 -0.8537 -0.8537 -0.6414 -0.6414 -0.4443 -0.4443 0.1104 0.1104 0.1662 0.1662 0.3432 0.3432 7.8968 7.8968 9.1372 9.1372 9.8662 9.8662 10.1055 10.1055 k = 0.2700 0.0395 0.3907 ( 5871 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1232 -39.1232 -39.0960 -39.0960 -20.3650 -20.3650 -20.3235 -20.3235 -11.9880 -11.9880 -11.8083 -11.8083 -7.4178 -7.4178 -7.3018 -7.3018 -4.8982 -4.8982 -4.5658 -4.5658 -1.5479 -1.5479 -1.3136 -1.3136 -0.8362 -0.8362 -0.6159 -0.6159 -0.4228 -0.4228 0.1108 0.1108 0.1751 0.1751 0.3433 0.3433 7.8133 7.8133 9.1408 9.1408 9.8321 9.8321 10.0884 10.0884 k = 0.2600 0.0381 0.3762 ( 5865 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1232 -39.1232 -39.0960 -39.0960 -20.3669 -20.3669 -20.3239 -20.3239 -11.9965 -11.9965 -11.8121 -11.8121 -7.4188 -7.4188 -7.2984 -7.2984 -4.9042 -4.9042 -4.5705 -4.5705 -1.5312 -1.5312 -1.2945 -1.2945 -0.8225 -0.8225 -0.5877 -0.5877 -0.3960 -0.3960 0.1120 0.1120 0.1841 0.1841 0.3438 0.3438 7.7283 7.7283 9.1366 9.1366 9.7960 9.7960 10.0748 10.0748 k = 0.2500 0.0366 0.3618 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3994 -39.3994 -39.1231 -39.1231 -39.0960 -39.0960 -20.3688 -20.3688 -20.3243 -20.3243 -12.0048 -12.0048 -11.8159 -11.8159 -7.4198 -7.4198 -7.2951 -7.2951 -4.9105 -4.9105 -4.5752 -4.5752 -1.5150 -1.5150 -1.2768 -1.2768 -0.8132 -0.8132 -0.5558 -0.5558 -0.3647 -0.3647 0.1142 0.1142 0.1931 0.1931 0.3448 0.3448 7.6423 7.6423 9.1244 9.1244 9.7577 9.7577 10.0658 10.0658 k = 0.2400 0.0351 0.3473 ( 5872 PWs) bands (ev): -72.4528 -72.4528 -39.3993 -39.3993 -39.1231 -39.1231 -39.0960 -39.0960 -20.3706 -20.3706 -20.3247 -20.3247 -12.0131 -12.0131 -11.8198 -11.8198 -7.4207 -7.4207 -7.2917 -7.2917 -4.9169 -4.9169 -4.5801 -4.5801 -1.4994 -1.4994 -1.2606 -1.2606 -0.8081 -0.8081 -0.5197 -0.5197 -0.3298 -0.3298 0.1174 0.1174 0.2021 0.2021 0.3461 0.3461 7.5554 7.5554 9.1045 9.1045 9.7173 9.7173 10.0614 10.0614 k = 0.2300 0.0337 0.3328 ( 5870 PWs) bands (ev): -72.4528 -72.4528 -39.3993 -39.3993 -39.1230 -39.1230 -39.0960 -39.0960 -20.3724 -20.3724 -20.3252 -20.3252 -12.0213 -12.0213 -11.8236 -11.8236 -7.4217 -7.4217 -7.2884 -7.2884 -4.9236 -4.9236 -4.5850 -4.5850 -1.4845 -1.4845 -1.2455 -1.2455 -0.8064 -0.8064 -0.4799 -0.4799 -0.2921 -0.2921 0.1215 0.1215 0.2110 0.2110 0.3478 0.3478 7.4681 7.4681 9.0779 9.0779 9.6748 9.6748 10.0605 10.0605 k = 0.2200 0.0322 0.3184 ( 5874 PWs) bands (ev): -72.4528 -72.4528 -39.3993 -39.3993 -39.1230 -39.1230 -39.0959 -39.0959 -20.3742 -20.3742 -20.3256 -20.3256 -12.0293 -12.0293 -11.8274 -11.8274 -7.4226 -7.4226 -7.2851 -7.2851 -4.9303 -4.9303 -4.5900 -4.5900 -1.4706 -1.4706 -1.2316 -1.2316 -0.8074 -0.8074 -0.4368 -0.4368 -0.2523 -0.2523 0.1265 0.1265 0.2200 0.2200 0.3500 0.3500 7.3807 7.3807 9.0456 9.0456 9.6308 9.6308 10.0614 10.0614 k = 0.2100 0.0308 0.3039 ( 5875 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1229 -39.1229 -39.0959 -39.0959 -20.3759 -20.3759 -20.3261 -20.3261 -12.0371 -12.0371 -11.8313 -11.8313 -7.4235 -7.4235 -7.2819 -7.2819 -4.9372 -4.9372 -4.5949 -4.5949 -1.4576 -1.4576 -1.2187 -1.2187 -0.8104 -0.8104 -0.3911 -0.3911 -0.2110 -0.2110 0.1325 0.1325 0.2290 0.2290 0.3525 0.3525 7.2936 7.2936 9.0088 9.0088 9.5857 9.5857 10.0617 10.0617 k = 0.2000 0.0293 0.2894 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1229 -39.1229 -39.0959 -39.0959 -20.3776 -20.3776 -20.3266 -20.3266 -12.0447 -12.0447 -11.8350 -11.8350 -7.4244 -7.4244 -7.2788 -7.2788 -4.9441 -4.9441 -4.5999 -4.5999 -1.4458 -1.4458 -1.2066 -1.2066 -0.8147 -0.8147 -0.3436 -0.3436 -0.1687 -0.1687 0.1394 0.1394 0.2380 0.2380 0.3554 0.3554 7.2069 7.2069 8.9686 8.9686 9.5401 9.5401 10.0592 10.0592 k = 0.1900 0.0278 0.2749 ( 5882 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1228 -39.1228 -39.0959 -39.0959 -20.3793 -20.3793 -20.3270 -20.3270 -12.0521 -12.0521 -11.8387 -11.8387 -7.4253 -7.4253 -7.2757 -7.2757 -4.9511 -4.9511 -4.6049 -4.6049 -1.4351 -1.4351 -1.1951 -1.1951 -0.8198 -0.8198 -0.2949 -0.2949 -0.1258 -0.1258 0.1471 0.1471 0.2472 0.2472 0.3586 0.3586 7.1212 7.1212 8.9260 8.9260 9.4943 9.4943 10.0515 10.0515 k = 0.1800 0.0264 0.2605 ( 5879 PWs) bands (ev): -72.4529 -72.4529 -39.3992 -39.3992 -39.1228 -39.1228 -39.0959 -39.0959 -20.3809 -20.3809 -20.3275 -20.3275 -12.0593 -12.0593 -11.8423 -11.8423 -7.4262 -7.4262 -7.2727 -7.2727 -4.9580 -4.9580 -4.6097 -4.6097 -1.4257 -1.4257 -1.1841 -1.1841 -0.8255 -0.8255 -0.2458 -0.2458 -0.0828 -0.0828 0.1558 0.1558 0.2566 0.2566 0.3622 0.3622 7.0366 7.0366 8.8820 8.8820 9.4488 9.4488 10.0361 10.0361 k = 0.1700 0.0249 0.2460 ( 5878 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3825 -20.3825 -20.3279 -20.3279 -12.0662 -12.0662 -11.8458 -11.8458 -7.4270 -7.4270 -7.2698 -7.2698 -4.9648 -4.9648 -4.6145 -4.6145 -1.4175 -1.4175 -1.1734 -1.1734 -0.8315 -0.8315 -0.1967 -0.1967 -0.0401 -0.0401 0.1654 0.1654 0.2662 0.2662 0.3662 0.3662 6.9535 6.9535 8.8373 8.8373 9.4040 9.4040 9.9817 9.9817 k = 0.1600 0.0234 0.2315 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3840 -20.3840 -20.3284 -20.3284 -12.0728 -12.0728 -11.8492 -11.8492 -7.4278 -7.4278 -7.2670 -7.2670 -4.9715 -4.9715 -4.6192 -4.6192 -1.4106 -1.4106 -1.1630 -1.1630 -0.8376 -0.8376 -0.1483 -0.1483 0.0017 0.0017 0.1760 0.1760 0.2761 0.2761 0.3706 0.3706 6.8723 6.8723 8.7927 8.7927 9.3602 9.3602 9.8824 9.8824 k = 0.1500 0.0220 0.2171 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3991 -39.3991 -39.1227 -39.1227 -39.0959 -39.0959 -20.3854 -20.3854 -20.3288 -20.3288 -12.0791 -12.0791 -11.8524 -11.8524 -7.4286 -7.4286 -7.2643 -7.2643 -4.9781 -4.9781 -4.6238 -4.6238 -1.4049 -1.4049 -1.1529 -1.1529 -0.8438 -0.8438 -0.1012 -0.1012 0.0419 0.0419 0.1879 0.1879 0.2863 0.2863 0.3755 0.3755 6.7933 6.7933 8.7486 8.7486 9.3175 9.3175 9.7844 9.7844 k = 0.1400 0.0205 0.2026 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1226 -39.1226 -39.0959 -39.0959 -20.3868 -20.3868 -20.3292 -20.3292 -12.0851 -12.0851 -11.8555 -11.8555 -7.4294 -7.4294 -7.2618 -7.2618 -4.9844 -4.9844 -4.6282 -4.6282 -1.4003 -1.4003 -1.1429 -1.1429 -0.8499 -0.8499 -0.0562 -0.0562 0.0796 0.0796 0.2016 0.2016 0.2968 0.2968 0.3811 0.3811 6.7169 6.7169 8.7056 8.7056 9.2764 9.2764 9.6899 9.6899 k = 0.1300 0.0190 0.1881 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1226 -39.1226 -39.0959 -39.0959 -20.3881 -20.3881 -20.3297 -20.3297 -12.0907 -12.0907 -11.8585 -11.8585 -7.4301 -7.4301 -7.2594 -7.2594 -4.9905 -4.9905 -4.6324 -4.6324 -1.3967 -1.3967 -1.1331 -1.1331 -0.8560 -0.8560 -0.0137 -0.0137 0.1138 0.1138 0.2177 0.2177 0.3074 0.3074 0.3878 0.3878 6.6434 6.6434 8.6641 8.6641 9.2370 9.2370 9.5997 9.5997 k = 0.1200 0.0176 0.1736 ( 5877 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3893 -20.3893 -20.3300 -20.3300 -12.0960 -12.0960 -11.8612 -11.8612 -7.4307 -7.4307 -7.2571 -7.2571 -4.9964 -4.9964 -4.6365 -4.6365 -1.3941 -1.3941 -1.1235 -1.1235 -0.8619 -0.8619 0.0254 0.0254 0.1431 0.1431 0.2369 0.2369 0.3179 0.3179 0.3960 0.3960 6.5732 6.5732 8.6244 8.6244 9.1995 9.1995 9.5143 9.5143 k = 0.1100 0.0161 0.1592 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3990 -39.3990 -39.1225 -39.1225 -39.0959 -39.0959 -20.3904 -20.3904 -20.3304 -20.3304 -12.1009 -12.1009 -11.8638 -11.8638 -7.4314 -7.4314 -7.2550 -7.2550 -5.0019 -5.0019 -4.6403 -4.6403 -1.3922 -1.3922 -1.1142 -1.1142 -0.8676 -0.8676 0.0608 0.0608 0.1670 0.1670 0.2596 0.2596 0.3278 0.3278 0.4062 0.4062 6.5067 6.5067 8.5868 8.5868 9.1642 9.1642 9.4340 9.4340 k = 0.1000 0.0146 0.1447 ( 5874 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1225 -39.1225 -39.0958 -39.0958 -20.3915 -20.3915 -20.3307 -20.3307 -12.1055 -12.1055 -11.8663 -11.8663 -7.4320 -7.4320 -7.2530 -7.2530 -5.0070 -5.0070 -4.6438 -4.6438 -1.3911 -1.3911 -1.1051 -1.1051 -0.8731 -0.8731 0.0920 0.0920 0.1858 0.1858 0.2846 0.2846 0.3369 0.3369 0.4188 0.4188 6.4443 6.4443 8.5516 8.5516 9.1311 9.1311 9.3593 9.3593 k = 0.0900 0.0132 0.1302 ( 5872 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3924 -20.3924 -20.3311 -20.3311 -12.1096 -12.1096 -11.8685 -11.8685 -7.4325 -7.4325 -7.2512 -7.2512 -5.0118 -5.0118 -4.6471 -4.6471 -1.3904 -1.3904 -1.0964 -1.0964 -0.8785 -0.8785 0.1188 0.1188 0.2009 0.2009 0.3103 0.3103 0.3447 0.3447 0.4340 0.4340 6.3864 6.3864 8.5191 8.5191 9.1005 9.1005 9.2906 9.2906 k = 0.0800 0.0117 0.1158 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3933 -20.3933 -20.3313 -20.3313 -12.1133 -12.1133 -11.8705 -11.8705 -7.4330 -7.4330 -7.2496 -7.2496 -5.0161 -5.0161 -4.6501 -4.6501 -1.3902 -1.3902 -1.0882 -1.0882 -0.8836 -0.8836 0.1414 0.1414 0.2132 0.2132 0.3343 0.3343 0.3522 0.3522 0.4513 0.4513 6.3332 6.3332 8.4894 8.4894 9.0726 9.0726 9.2282 9.2282 k = 0.0700 0.0103 0.1013 ( 5876 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3941 -20.3941 -20.3316 -20.3316 -12.1167 -12.1167 -11.8722 -11.8722 -7.4334 -7.4334 -7.2481 -7.2481 -5.0200 -5.0200 -4.6527 -4.6527 -1.3902 -1.3902 -1.0805 -1.0805 -0.8883 -0.8883 0.1600 0.1600 0.2236 0.2236 0.3501 0.3501 0.3650 0.3650 0.4697 0.4697 6.2853 6.2853 8.4628 8.4628 9.0475 9.0475 9.1724 9.1724 k = 0.0600 0.0088 0.0868 ( 5873 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3947 -20.3947 -20.3318 -20.3318 -12.1195 -12.1195 -11.8738 -11.8738 -7.4338 -7.4338 -7.2468 -7.2468 -5.0235 -5.0235 -4.6551 -4.6551 -1.3905 -1.3905 -1.0734 -1.0734 -0.8928 -0.8928 0.1751 0.1751 0.2323 0.2323 0.3559 0.3559 0.3844 0.3844 0.4881 0.4881 6.2430 6.2430 8.4394 8.4394 9.0254 9.0254 9.1234 9.1234 k = 0.0500 0.0073 0.0724 ( 5879 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3953 -20.3953 -20.3320 -20.3320 -12.1220 -12.1220 -11.8751 -11.8751 -7.4341 -7.4341 -7.2458 -7.2458 -5.0264 -5.0264 -4.6571 -4.6571 -1.3909 -1.3909 -1.0672 -1.0672 -0.8967 -0.8967 0.1871 0.1871 0.2396 0.2396 0.3591 0.3591 0.4028 0.4028 0.5055 0.5055 6.2065 6.2065 8.4194 8.4194 9.0063 9.0063 9.0816 9.0816 k = 0.0400 0.0059 0.0579 ( 5881 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3958 -20.3958 -20.3322 -20.3322 -12.1240 -12.1240 -11.8762 -11.8762 -7.4344 -7.4344 -7.2449 -7.2449 -5.0289 -5.0289 -4.6588 -4.6588 -1.3913 -1.3913 -1.0618 -1.0618 -0.9002 -0.9002 0.1964 0.1964 0.2455 0.2455 0.3613 0.3613 0.4185 0.4185 0.5209 0.5209 6.1763 6.1763 8.4028 8.4028 8.9906 8.9906 9.0470 9.0470 k = 0.0300 0.0044 0.0434 ( 5880 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3961 -20.3961 -20.3323 -20.3323 -12.1256 -12.1256 -11.8771 -11.8771 -7.4346 -7.4346 -7.2442 -7.2442 -5.0308 -5.0308 -4.6601 -4.6601 -1.3917 -1.3917 -1.0575 -1.0575 -0.9030 -0.9030 0.2034 0.2034 0.2501 0.2501 0.3628 0.3628 0.4311 0.4311 0.5337 0.5337 6.1525 6.1525 8.3898 8.3898 8.9783 8.9783 9.0200 9.0200 k = 0.0200 0.0029 0.0289 ( 5884 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1224 -39.1224 -39.0958 -39.0958 -20.3964 -20.3964 -20.3324 -20.3324 -12.1267 -12.1267 -11.8777 -11.8777 -7.4348 -7.4348 -7.2437 -7.2437 -5.0321 -5.0321 -4.6610 -4.6610 -1.3920 -1.3920 -1.0542 -1.0542 -0.9051 -0.9051 0.2082 0.2082 0.2533 0.2533 0.3638 0.3638 0.4402 0.4402 0.5431 0.5431 6.1353 6.1353 8.3805 8.3805 8.9694 8.9694 9.0006 9.0006 k = 0.0100 0.0015 0.0145 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1274 -12.1274 -11.8781 -11.8781 -7.4349 -7.4349 -7.2434 -7.2434 -5.0330 -5.0330 -4.6616 -4.6616 -1.3922 -1.3922 -1.0523 -1.0523 -0.9065 -0.9065 0.2111 0.2111 0.2553 0.2553 0.3644 0.3644 0.4458 0.4458 0.5490 0.5490 6.1249 6.1249 8.3749 8.3749 8.9640 8.9640 8.9889 8.9889 k = 0.0000 0.0000 0.0000 ( 5883 PWs) bands (ev): -72.4529 -72.4529 -39.3989 -39.3989 -39.1223 -39.1223 -39.0958 -39.0958 -20.3966 -20.3966 -20.3325 -20.3325 -12.1276 -12.1276 -11.8782 -11.8782 -7.4349 -7.4349 -7.2433 -7.2433 -5.0333 -5.0333 -4.6618 -4.6618 -1.3923 -1.3923 -1.0516 -1.0516 -0.9069 -0.9069 0.2120 0.2120 0.2559 0.2559 0.3646 0.3646 0.4476 0.4476 0.5509 0.5509 6.1215 6.1215 8.3730 8.3730 8.9622 8.9622 8.9850 8.9850 Writing output data file MgH4xClOx2.save init_run : 0.46s CPU 0.68s WALL ( 1 calls) electrons : 155.22s CPU 158.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 155.21s CPU 158.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 338 calls) cegterg : 144.28s CPU 145.90s WALL ( 449 calls) Called by sum_band: Called by *egterg: h_psi : 77.67s CPU 79.11s WALL ( 7595 calls) s_psi : 3.87s CPU 3.94s WALL ( 7595 calls) g_psi : 0.34s CPU 0.30s WALL ( 6808 calls) cdiaghg : 51.75s CPU 51.87s WALL ( 7146 calls) cegterg:over : 6.47s CPU 6.73s WALL ( 6808 calls) cegterg:upda : 6.55s CPU 6.69s WALL ( 6808 calls) cegterg:last : 2.97s CPU 3.03s WALL ( 1125 calls) cdiaghg:chol : 2.91s CPU 2.97s WALL ( 7146 calls) cdiaghg:inve : 1.99s CPU 1.97s WALL ( 7146 calls) cdiaghg:para : 3.08s CPU 3.06s WALL ( 14292 calls) Called by h_psi: h_psi:vloc : 68.11s CPU 69.43s WALL ( 7595 calls) h_psi:vnl : 9.33s CPU 9.40s WALL ( 7595 calls) add_vuspsi : 4.63s CPU 4.58s WALL ( 7595 calls) General routines calbec : 4.68s CPU 4.80s WALL ( 7595 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.24s CPU 63.45s WALL ( 723424 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.33s WALL ( 676 calls) Parallel routines fft_scatter : 23.56s CPU 24.22s WALL ( 723447 calls) PWSCF : 2m53.62s CPU 3m25.17s WALL This run was terminated on: 16:53: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=