Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:47 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: ./TlN3.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 81 45 13 2571 1069 164 Max 82 46 14 2575 1087 167 Sum 2933 1643 469 92627 38849 5939 bravais-lattice index = 14 lattice parameter (alat) = 10.8066 a.u. unit-cell volume = 952.5864 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.806596 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.412087 celldm(5)= -0.412087 celldm(6)= -0.175827 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.175827 0.984421 0.000000 ) a(3) = ( -0.412087 -0.492211 0.766755 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.178609 0.652099 ) b(2) = ( 0.000000 1.015825 0.652099 ) b(3) = ( 0.000000 0.000000 1.304197 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.4120867 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.4922106 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.4120867 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.4922106 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0000000 0.0181139), wk = 0.0033557 k( 3) = ( 0.0000000 0.0000000 0.0362277), wk = 0.0033557 k( 4) = ( 0.0000000 0.0000000 0.0543416), wk = 0.0033557 k( 5) = ( 0.0000000 0.0000000 0.0724554), wk = 0.0033557 k( 6) = ( 0.0000000 0.0000000 0.0905693), wk = 0.0033557 k( 7) = ( 0.0000000 0.0000000 0.1086831), wk = 0.0033557 k( 8) = ( 0.0000000 0.0000000 0.1267970), wk = 0.0033557 k( 9) = ( 0.0000000 0.0000000 0.1449108), wk = 0.0033557 k( 10) = ( 0.0000000 0.0000000 0.1630247), wk = 0.0033557 k( 11) = ( 0.0000000 0.0000000 0.1811385), wk = 0.0033557 k( 12) = ( 0.0000000 0.0000000 0.1992524), wk = 0.0033557 k( 13) = ( 0.0000000 0.0000000 0.2173663), wk = 0.0033557 k( 14) = ( 0.0000000 0.0000000 0.2354801), wk = 0.0033557 k( 15) = ( 0.0000000 0.0000000 0.2535939), wk = 0.0033557 k( 16) = ( 0.0000000 0.0000000 0.2717078), wk = 0.0033557 k( 17) = ( 0.0000000 0.0000000 0.2898217), wk = 0.0033557 k( 18) = ( 0.0000000 0.0000000 0.3079355), wk = 0.0033557 k( 19) = ( 0.0000000 0.0000000 0.3260494), wk = 0.0033557 k( 20) = ( 0.0000000 0.0000000 0.3441632), wk = 0.0033557 k( 21) = ( 0.0000000 0.0000000 0.3622771), wk = 0.0033557 k( 22) = ( 0.0000000 0.0000000 0.3803909), wk = 0.0033557 k( 23) = ( 0.0000000 0.0000000 0.3985048), wk = 0.0033557 k( 24) = ( 0.0000000 0.0000000 0.4166186), wk = 0.0033557 k( 25) = ( 0.0000000 0.0000000 0.4347325), wk = 0.0033557 k( 26) = ( 0.0000000 0.0000000 0.4528463), wk = 0.0033557 k( 27) = ( 0.0000000 0.0000000 0.4709602), wk = 0.0033557 k( 28) = ( 0.0000000 0.0000000 0.4890741), wk = 0.0033557 k( 29) = ( 0.0000000 0.0000000 0.5071879), wk = 0.0033557 k( 30) = ( 0.0000000 0.0000000 0.5253018), wk = 0.0033557 k( 31) = ( 0.0000000 0.0000000 0.5434156), wk = 0.0033557 k( 32) = ( 0.0000000 0.0000000 0.5615295), wk = 0.0033557 k( 33) = ( 0.0000000 0.0000000 0.5796433), wk = 0.0033557 k( 34) = ( 0.0000000 0.0000000 0.5977572), wk = 0.0033557 k( 35) = ( 0.0000000 0.0000000 0.6158710), wk = 0.0033557 k( 36) = ( 0.0000000 0.0000000 0.6339849), wk = 0.0033557 k( 37) = ( 0.0000000 0.0000000 0.6520987), wk = 0.0033557 k( 38) = ( 0.0000000 0.0000000 0.6520987), wk = 0.0033557 k( 39) = ( -0.0137180 0.0114849 0.6520987), wk = 0.0033557 k( 40) = ( -0.0274360 0.0229699 0.6520987), wk = 0.0033557 k( 41) = ( -0.0411540 0.0344548 0.6520987), wk = 0.0033557 k( 42) = ( -0.0548721 0.0459398 0.6520987), wk = 0.0033557 k( 43) = ( -0.0685901 0.0574247 0.6520987), wk = 0.0033557 k( 44) = ( -0.0823081 0.0689097 0.6520987), wk = 0.0033557 k( 45) = ( -0.0960261 0.0803946 0.6520987), wk = 0.0033557 k( 46) = ( -0.1097441 0.0918796 0.6520987), wk = 0.0033557 k( 47) = ( -0.1234622 0.1033645 0.6520987), wk = 0.0033557 k( 48) = ( -0.1371802 0.1148495 0.6520987), wk = 0.0033557 k( 49) = ( -0.1508982 0.1263344 0.6520987), wk = 0.0033557 k( 50) = ( -0.1646162 0.1378194 0.6520987), wk = 0.0033557 k( 51) = ( -0.1783342 0.1493043 0.6520987), wk = 0.0033557 k( 52) = ( -0.1920523 0.1607893 0.6520987), wk = 0.0033557 k( 53) = ( -0.2057703 0.1722742 0.6520987), wk = 0.0033557 k( 54) = ( -0.2194883 0.1837592 0.6520987), wk = 0.0033557 k( 55) = ( -0.2332063 0.1952441 0.6520987), wk = 0.0033557 k( 56) = ( -0.2469243 0.2067291 0.6520987), wk = 0.0033557 k( 57) = ( -0.2606423 0.2182140 0.6520987), wk = 0.0033557 k( 58) = ( -0.2743603 0.2296989 0.6520987), wk = 0.0033557 k( 59) = ( -0.2880784 0.2411839 0.6520987), wk = 0.0033557 k( 60) = ( -0.3017964 0.2526688 0.6520987), wk = 0.0033557 k( 61) = ( -0.3155144 0.2641538 0.6520987), wk = 0.0033557 k( 62) = ( -0.3292324 0.2756387 0.6520987), wk = 0.0033557 k( 63) = ( -0.3429504 0.2871237 0.6520987), wk = 0.0033557 k( 64) = ( -0.3566685 0.2986086 0.6520987), wk = 0.0033557 k( 65) = ( -0.3566685 0.2986086 0.6520987), wk = 0.0033557 k( 66) = ( -0.3656267 0.3061086 0.6404154), wk = 0.0033557 k( 67) = ( -0.3745849 0.3136086 0.6287322), wk = 0.0033557 k( 68) = ( -0.3835431 0.3211085 0.6170489), wk = 0.0033557 k( 69) = ( -0.3925014 0.3286085 0.6053656), wk = 0.0033557 k( 70) = ( -0.4014596 0.3361085 0.5936823), wk = 0.0033557 k( 71) = ( -0.4104178 0.3436084 0.5819990), wk = 0.0033557 k( 72) = ( -0.4193760 0.3511084 0.5703157), wk = 0.0033557 k( 73) = ( -0.4283342 0.3586084 0.5586324), wk = 0.0033557 k( 74) = ( -0.4283342 0.3586084 0.5586324), wk = 0.0033557 k( 75) = ( -0.4185994 0.3504582 0.5459362), wk = 0.0033557 k( 76) = ( -0.4088645 0.3423080 0.5332400), wk = 0.0033557 k( 77) = ( -0.3991296 0.3341578 0.5205438), wk = 0.0033557 k( 78) = ( -0.3893948 0.3260076 0.5078476), wk = 0.0033557 k( 79) = ( -0.3796599 0.3178574 0.4951515), wk = 0.0033557 k( 80) = ( -0.3699250 0.3097072 0.4824553), wk = 0.0033557 k( 81) = ( -0.3601901 0.3015570 0.4697591), wk = 0.0033557 k( 82) = ( -0.3504553 0.2934069 0.4570629), wk = 0.0033557 k( 83) = ( -0.3407204 0.2852567 0.4443667), wk = 0.0033557 k( 84) = ( -0.3309855 0.2771065 0.4316705), wk = 0.0033557 k( 85) = ( -0.3212507 0.2689563 0.4189743), wk = 0.0033557 k( 86) = ( -0.3115158 0.2608061 0.4062781), wk = 0.0033557 k( 87) = ( -0.3017809 0.2526559 0.3935819), wk = 0.0033557 k( 88) = ( -0.2920461 0.2445057 0.3808857), wk = 0.0033557 k( 89) = ( -0.2823112 0.2363555 0.3681896), wk = 0.0033557 k( 90) = ( -0.2725763 0.2282053 0.3554934), wk = 0.0033557 k( 91) = ( -0.2628415 0.2200551 0.3427972), wk = 0.0033557 k( 92) = ( -0.2531066 0.2119050 0.3301010), wk = 0.0033557 k( 93) = ( -0.2433717 0.2037548 0.3174048), wk = 0.0033557 k( 94) = ( -0.2336369 0.1956046 0.3047086), wk = 0.0033557 k( 95) = ( -0.2239020 0.1874544 0.2920124), wk = 0.0033557 k( 96) = ( -0.2141671 0.1793042 0.2793162), wk = 0.0033557 k( 97) = ( -0.2044323 0.1711540 0.2666200), wk = 0.0033557 k( 98) = ( -0.1946974 0.1630038 0.2539238), wk = 0.0033557 k( 99) = ( -0.1849625 0.1548536 0.2412276), wk = 0.0033557 k( 100) = ( -0.1752276 0.1467034 0.2285314), wk = 0.0033557 k( 101) = ( -0.1654928 0.1385532 0.2158353), wk = 0.0033557 k( 102) = ( -0.1557579 0.1304030 0.2031391), wk = 0.0033557 k( 103) = ( -0.1460230 0.1222529 0.1904429), wk = 0.0033557 k( 104) = ( -0.1362882 0.1141027 0.1777467), wk = 0.0033557 k( 105) = ( -0.1265533 0.1059525 0.1650505), wk = 0.0033557 k( 106) = ( -0.1168184 0.0978023 0.1523543), wk = 0.0033557 k( 107) = ( -0.1070836 0.0896521 0.1396581), wk = 0.0033557 k( 108) = ( -0.0973487 0.0815019 0.1269619), wk = 0.0033557 k( 109) = ( -0.0876138 0.0733517 0.1142657), wk = 0.0033557 k( 110) = ( -0.0778790 0.0652015 0.1015695), wk = 0.0033557 k( 111) = ( -0.0681441 0.0570513 0.0888733), wk = 0.0033557 k( 112) = ( -0.0584092 0.0489011 0.0761771), wk = 0.0033557 k( 113) = ( -0.0486743 0.0407509 0.0634810), wk = 0.0033557 k( 114) = ( -0.0389395 0.0326008 0.0507848), wk = 0.0033557 k( 115) = ( -0.0292046 0.0244506 0.0380886), wk = 0.0033557 k( 116) = ( -0.0194697 0.0163004 0.0253924), wk = 0.0033557 k( 117) = ( -0.0097349 0.0081502 0.0126962), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 120) = ( 0.0116279 0.0138888 0.0000000), wk = 0.0033557 k( 121) = ( 0.0232558 0.0277775 0.0000000), wk = 0.0033557 k( 122) = ( 0.0348837 0.0416663 0.0000000), wk = 0.0033557 k( 123) = ( 0.0465116 0.0555551 0.0000000), wk = 0.0033557 k( 124) = ( 0.0581395 0.0694439 0.0000000), wk = 0.0033557 k( 125) = ( 0.0697674 0.0833326 0.0000000), wk = 0.0033557 k( 126) = ( 0.0813954 0.0972214 0.0000000), wk = 0.0033557 k( 127) = ( 0.0930233 0.1111102 0.0000000), wk = 0.0033557 k( 128) = ( 0.1046512 0.1249990 0.0000000), wk = 0.0033557 k( 129) = ( 0.1162791 0.1388877 0.0000000), wk = 0.0033557 k( 130) = ( 0.1279070 0.1527765 0.0000000), wk = 0.0033557 k( 131) = ( 0.1395349 0.1666653 0.0000000), wk = 0.0033557 k( 132) = ( 0.1511628 0.1805541 0.0000000), wk = 0.0033557 k( 133) = ( 0.1627907 0.1944428 0.0000000), wk = 0.0033557 k( 134) = ( 0.1744186 0.2083316 0.0000000), wk = 0.0033557 k( 135) = ( 0.1860465 0.2222204 0.0000000), wk = 0.0033557 k( 136) = ( 0.1976744 0.2361092 0.0000000), wk = 0.0033557 k( 137) = ( 0.2093023 0.2499979 0.0000000), wk = 0.0033557 k( 138) = ( 0.2209302 0.2638867 0.0000000), wk = 0.0033557 k( 139) = ( 0.2325581 0.2777755 0.0000000), wk = 0.0033557 k( 140) = ( 0.2441860 0.2916642 0.0000000), wk = 0.0033557 k( 141) = ( 0.2558140 0.3055530 0.0000000), wk = 0.0033557 k( 142) = ( 0.2674419 0.3194418 0.0000000), wk = 0.0033557 k( 143) = ( 0.2790698 0.3333306 0.0000000), wk = 0.0033557 k( 144) = ( 0.2906977 0.3472193 0.0000000), wk = 0.0033557 k( 145) = ( 0.3023256 0.3611081 0.0000000), wk = 0.0033557 k( 146) = ( 0.3139535 0.3749969 0.0000000), wk = 0.0033557 k( 147) = ( 0.3255814 0.3888857 0.0000000), wk = 0.0033557 k( 148) = ( 0.3372093 0.4027744 0.0000000), wk = 0.0033557 k( 149) = ( 0.3488372 0.4166632 0.0000000), wk = 0.0033557 k( 150) = ( 0.3604651 0.4305520 0.0000000), wk = 0.0033557 k( 151) = ( 0.3720930 0.4444408 0.0000000), wk = 0.0033557 k( 152) = ( 0.3837209 0.4583295 0.0000000), wk = 0.0033557 k( 153) = ( 0.3953488 0.4722183 0.0000000), wk = 0.0033557 k( 154) = ( 0.4069767 0.4861071 0.0000000), wk = 0.0033557 k( 155) = ( 0.4186047 0.4999958 0.0000000), wk = 0.0033557 k( 156) = ( 0.4302326 0.5138846 0.0000000), wk = 0.0033557 k( 157) = ( 0.4418605 0.5277734 0.0000000), wk = 0.0033557 k( 158) = ( 0.4534884 0.5416622 0.0000000), wk = 0.0033557 k( 159) = ( 0.4651163 0.5555509 0.0000000), wk = 0.0033557 k( 160) = ( 0.4767442 0.5694397 0.0000000), wk = 0.0033557 k( 161) = ( 0.4883721 0.5833285 0.0000000), wk = 0.0033557 k( 162) = ( 0.5000000 0.5972173 0.0000000), wk = 0.0033557 k( 163) = ( 0.5000000 0.5972173 0.0000000), wk = 0.0033557 k( 164) = ( 0.4910418 0.6047172 0.0116833), wk = 0.0033557 k( 165) = ( 0.4820836 0.6122172 0.0233666), wk = 0.0033557 k( 166) = ( 0.4731253 0.6197172 0.0350499), wk = 0.0033557 k( 167) = ( 0.4641671 0.6272171 0.0467332), wk = 0.0033557 k( 168) = ( 0.4552089 0.6347171 0.0584165), wk = 0.0033557 k( 169) = ( 0.4462507 0.6422171 0.0700997), wk = 0.0033557 k( 170) = ( 0.4372924 0.6497170 0.0817830), wk = 0.0033557 k( 171) = ( 0.4283342 0.6572170 0.0934663), wk = 0.0033557 k( 172) = ( 0.4283342 0.6572170 0.0934663), wk = 0.0033557 k( 173) = ( 0.4135641 0.6520686 0.1014864), wk = 0.0033557 k( 174) = ( 0.3987939 0.6469202 0.1095065), wk = 0.0033557 k( 175) = ( 0.3840238 0.6417717 0.1175266), wk = 0.0033557 k( 176) = ( 0.3692536 0.6366233 0.1255467), wk = 0.0033557 k( 177) = ( 0.3544835 0.6314749 0.1335668), wk = 0.0033557 k( 178) = ( 0.3397134 0.6263265 0.1415870), wk = 0.0033557 k( 179) = ( 0.3249432 0.6211780 0.1496071), wk = 0.0033557 k( 180) = ( 0.3101731 0.6160296 0.1576272), wk = 0.0033557 k( 181) = ( 0.2954029 0.6108812 0.1656473), wk = 0.0033557 k( 182) = ( 0.2806328 0.6057328 0.1736674), wk = 0.0033557 k( 183) = ( 0.2658626 0.6005843 0.1816875), wk = 0.0033557 k( 184) = ( 0.2510925 0.5954359 0.1897076), wk = 0.0033557 k( 185) = ( 0.2363223 0.5902875 0.1977277), wk = 0.0033557 k( 186) = ( 0.2215522 0.5851391 0.2057478), wk = 0.0033557 k( 187) = ( 0.2067820 0.5799906 0.2137679), wk = 0.0033557 k( 188) = ( 0.1920119 0.5748422 0.2217880), wk = 0.0033557 k( 189) = ( 0.1772418 0.5696938 0.2298081), wk = 0.0033557 k( 190) = ( 0.1624716 0.5645454 0.2378282), wk = 0.0033557 k( 191) = ( 0.1477015 0.5593969 0.2458483), wk = 0.0033557 k( 192) = ( 0.1329313 0.5542485 0.2538684), wk = 0.0033557 k( 193) = ( 0.1181612 0.5491001 0.2618885), wk = 0.0033557 k( 194) = ( 0.1033910 0.5439517 0.2699086), wk = 0.0033557 k( 195) = ( 0.0886209 0.5388032 0.2779287), wk = 0.0033557 k( 196) = ( 0.0738507 0.5336548 0.2859488), wk = 0.0033557 k( 197) = ( 0.0590806 0.5285064 0.2939689), wk = 0.0033557 k( 198) = ( 0.0443104 0.5233580 0.3019891), wk = 0.0033557 k( 199) = ( 0.0295403 0.5182095 0.3100092), wk = 0.0033557 k( 200) = ( 0.0147701 0.5130611 0.3180293), wk = 0.0033557 k( 201) = ( 0.0000000 0.5079127 0.3260494), wk = 0.0033557 k( 202) = ( 0.0000000 0.5079127 0.3260494), wk = 0.0033557 k( 203) = ( 0.0096154 0.4998625 0.3385897), wk = 0.0033557 k( 204) = ( 0.0192308 0.4918124 0.3511301), wk = 0.0033557 k( 205) = ( 0.0288462 0.4837622 0.3636704), wk = 0.0033557 k( 206) = ( 0.0384615 0.4757121 0.3762108), wk = 0.0033557 k( 207) = ( 0.0480769 0.4676619 0.3887512), wk = 0.0033557 k( 208) = ( 0.0576923 0.4596118 0.4012915), wk = 0.0033557 k( 209) = ( 0.0673077 0.4515616 0.4138319), wk = 0.0033557 k( 210) = ( 0.0769231 0.4435114 0.4263723), wk = 0.0033557 k( 211) = ( 0.0865385 0.4354613 0.4389126), wk = 0.0033557 k( 212) = ( 0.0961538 0.4274111 0.4514530), wk = 0.0033557 k( 213) = ( 0.1057692 0.4193610 0.4639933), wk = 0.0033557 k( 214) = ( 0.1153846 0.4113108 0.4765337), wk = 0.0033557 k( 215) = ( 0.1250000 0.4032607 0.4890741), wk = 0.0033557 k( 216) = ( 0.1346154 0.3952105 0.5016144), wk = 0.0033557 k( 217) = ( 0.1442308 0.3871604 0.5141548), wk = 0.0033557 k( 218) = ( 0.1538461 0.3791102 0.5266951), wk = 0.0033557 k( 219) = ( 0.1634615 0.3710600 0.5392355), wk = 0.0033557 k( 220) = ( 0.1730769 0.3630099 0.5517759), wk = 0.0033557 k( 221) = ( 0.1826923 0.3549597 0.5643162), wk = 0.0033557 k( 222) = ( 0.1923077 0.3469096 0.5768566), wk = 0.0033557 k( 223) = ( 0.2019231 0.3388594 0.5893969), wk = 0.0033557 k( 224) = ( 0.2115385 0.3308093 0.6019373), wk = 0.0033557 k( 225) = ( 0.2211539 0.3227591 0.6144777), wk = 0.0033557 k( 226) = ( 0.2307692 0.3147089 0.6270180), wk = 0.0033557 k( 227) = ( 0.2403846 0.3066588 0.6395584), wk = 0.0033557 k( 228) = ( 0.2500000 0.2986086 0.6520987), wk = 0.0033557 k( 229) = ( 0.2500000 0.2986086 0.6520987), wk = 0.0033557 k( 230) = ( 0.2573529 0.3073912 0.6384174), wk = 0.0033557 k( 231) = ( 0.2647059 0.3161738 0.6247360), wk = 0.0033557 k( 232) = ( 0.2720588 0.3249564 0.6110547), wk = 0.0033557 k( 233) = ( 0.2794118 0.3337391 0.5973733), wk = 0.0033557 k( 234) = ( 0.2867647 0.3425217 0.5836920), wk = 0.0033557 k( 235) = ( 0.2941177 0.3513043 0.5700106), wk = 0.0033557 k( 236) = ( 0.3014706 0.3600869 0.5563292), wk = 0.0033557 k( 237) = ( 0.3088235 0.3688695 0.5426479), wk = 0.0033557 k( 238) = ( 0.3161765 0.3776521 0.5289665), wk = 0.0033557 k( 239) = ( 0.3235294 0.3864347 0.5152852), wk = 0.0033557 k( 240) = ( 0.3308823 0.3952173 0.5016038), wk = 0.0033557 k( 241) = ( 0.3382353 0.4039999 0.4879225), wk = 0.0033557 k( 242) = ( 0.3455882 0.4127825 0.4742411), wk = 0.0033557 k( 243) = ( 0.3529412 0.4215651 0.4605598), wk = 0.0033557 k( 244) = ( 0.3602941 0.4303477 0.4468784), wk = 0.0033557 k( 245) = ( 0.3676471 0.4391303 0.4331970), wk = 0.0033557 k( 246) = ( 0.3750000 0.4479129 0.4195157), wk = 0.0033557 k( 247) = ( 0.3823529 0.4566956 0.4058343), wk = 0.0033557 k( 248) = ( 0.3897059 0.4654782 0.3921530), wk = 0.0033557 k( 249) = ( 0.3970588 0.4742608 0.3784716), wk = 0.0033557 k( 250) = ( 0.4044118 0.4830434 0.3647903), wk = 0.0033557 k( 251) = ( 0.4117647 0.4918260 0.3511089), wk = 0.0033557 k( 252) = ( 0.4191177 0.5006086 0.3374276), wk = 0.0033557 k( 253) = ( 0.4264706 0.5093912 0.3237462), wk = 0.0033557 k( 254) = ( 0.4338235 0.5181738 0.3100648), wk = 0.0033557 k( 255) = ( 0.4411765 0.5269564 0.2963835), wk = 0.0033557 k( 256) = ( 0.4485294 0.5357390 0.2827021), wk = 0.0033557 k( 257) = ( 0.4558823 0.5445216 0.2690208), wk = 0.0033557 k( 258) = ( 0.4632353 0.5533042 0.2553394), wk = 0.0033557 k( 259) = ( 0.4705882 0.5620868 0.2416581), wk = 0.0033557 k( 260) = ( 0.4779412 0.5708694 0.2279767), wk = 0.0033557 k( 261) = ( 0.4852941 0.5796521 0.2142953), wk = 0.0033557 k( 262) = ( 0.4926471 0.5884347 0.2006140), wk = 0.0033557 k( 263) = ( 0.5000000 0.5972173 0.1869326), wk = 0.0033557 k( 264) = ( 0.5000000 0.5972173 0.1869326), wk = 0.0033557 k( 265) = ( 0.5000000 0.5972173 0.1699388), wk = 0.0033557 k( 266) = ( 0.5000000 0.5972173 0.1529449), wk = 0.0033557 k( 267) = ( 0.5000000 0.5972173 0.1359510), wk = 0.0033557 k( 268) = ( 0.5000000 0.5972173 0.1189571), wk = 0.0033557 k( 269) = ( 0.5000000 0.5972173 0.1019633), wk = 0.0033557 k( 270) = ( 0.5000000 0.5972173 0.0849694), wk = 0.0033557 k( 271) = ( 0.5000000 0.5972173 0.0679755), wk = 0.0033557 k( 272) = ( 0.5000000 0.5972173 0.0509816), wk = 0.0033557 k( 273) = ( 0.5000000 0.5972173 0.0339878), wk = 0.0033557 k( 274) = ( 0.5000000 0.5972173 0.0169939), wk = 0.0033557 k( 275) = ( 0.5000000 0.5972173 0.0000000), wk = 0.0033557 k( 276) = ( 0.0000000 0.0000000 0.6520987), wk = 0.0033557 k( 277) = ( 0.0113636 0.0135731 0.6520987), wk = 0.0033557 k( 278) = ( 0.0227273 0.0271462 0.6520987), wk = 0.0033557 k( 279) = ( 0.0340909 0.0407194 0.6520987), wk = 0.0033557 k( 280) = ( 0.0454546 0.0542925 0.6520987), wk = 0.0033557 k( 281) = ( 0.0568182 0.0678656 0.6520987), wk = 0.0033557 k( 282) = ( 0.0681818 0.0814387 0.6520987), wk = 0.0033557 k( 283) = ( 0.0795455 0.0950118 0.6520987), wk = 0.0033557 k( 284) = ( 0.0909091 0.1085850 0.6520987), wk = 0.0033557 k( 285) = ( 0.1022727 0.1221581 0.6520987), wk = 0.0033557 k( 286) = ( 0.1136364 0.1357312 0.6520987), wk = 0.0033557 k( 287) = ( 0.1250000 0.1493043 0.6520987), wk = 0.0033557 k( 288) = ( 0.1363636 0.1628774 0.6520987), wk = 0.0033557 k( 289) = ( 0.1477273 0.1764506 0.6520987), wk = 0.0033557 k( 290) = ( 0.1590909 0.1900237 0.6520987), wk = 0.0033557 k( 291) = ( 0.1704546 0.2035968 0.6520987), wk = 0.0033557 k( 292) = ( 0.1818182 0.2171699 0.6520987), wk = 0.0033557 k( 293) = ( 0.1931818 0.2307430 0.6520987), wk = 0.0033557 k( 294) = ( 0.2045454 0.2443161 0.6520987), wk = 0.0033557 k( 295) = ( 0.2159091 0.2578893 0.6520987), wk = 0.0033557 k( 296) = ( 0.2272727 0.2714624 0.6520987), wk = 0.0033557 k( 297) = ( 0.2386364 0.2850355 0.6520987), wk = 0.0033557 k( 298) = ( 0.2500000 0.2986086 0.6520987), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0033557 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033557 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0033557 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033557 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0033557 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033557 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0033557 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033557 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033557 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033557 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0033557 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033557 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0033557 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033557 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0033557 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033557 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0033557 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033557 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0033557 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033557 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0033557 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033557 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0033557 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033557 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0033557 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033557 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033557 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033557 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0033557 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033557 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0033557 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033557 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0033557 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033557 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0033557 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 39) = ( -0.0137180 0.0137180 0.5000000), wk = 0.0033557 k( 40) = ( -0.0274360 0.0274360 0.5000000), wk = 0.0033557 k( 41) = ( -0.0411540 0.0411540 0.5000000), wk = 0.0033557 k( 42) = ( -0.0548721 0.0548721 0.5000000), wk = 0.0033557 k( 43) = ( -0.0685901 0.0685901 0.5000000), wk = 0.0033557 k( 44) = ( -0.0823081 0.0823081 0.5000000), wk = 0.0033557 k( 45) = ( -0.0960261 0.0960261 0.5000000), wk = 0.0033557 k( 46) = ( -0.1097441 0.1097441 0.5000000), wk = 0.0033557 k( 47) = ( -0.1234622 0.1234622 0.5000000), wk = 0.0033557 k( 48) = ( -0.1371802 0.1371802 0.5000000), wk = 0.0033557 k( 49) = ( -0.1508982 0.1508982 0.5000000), wk = 0.0033557 k( 50) = ( -0.1646162 0.1646162 0.5000000), wk = 0.0033557 k( 51) = ( -0.1783342 0.1783342 0.5000000), wk = 0.0033557 k( 52) = ( -0.1920523 0.1920523 0.5000000), wk = 0.0033557 k( 53) = ( -0.2057703 0.2057703 0.5000000), wk = 0.0033557 k( 54) = ( -0.2194883 0.2194883 0.5000000), wk = 0.0033557 k( 55) = ( -0.2332063 0.2332063 0.5000000), wk = 0.0033557 k( 56) = ( -0.2469243 0.2469243 0.5000000), wk = 0.0033557 k( 57) = ( -0.2606423 0.2606423 0.5000000), wk = 0.0033557 k( 58) = ( -0.2743603 0.2743603 0.5000000), wk = 0.0033557 k( 59) = ( -0.2880784 0.2880784 0.5000000), wk = 0.0033557 k( 60) = ( -0.3017964 0.3017964 0.5000000), wk = 0.0033557 k( 61) = ( -0.3155144 0.3155144 0.5000000), wk = 0.0033557 k( 62) = ( -0.3292324 0.3292324 0.5000000), wk = 0.0033557 k( 63) = ( -0.3429504 0.3429504 0.5000000), wk = 0.0033557 k( 64) = ( -0.3566685 0.3566685 0.5000000), wk = 0.0033557 k( 65) = ( -0.3566685 0.3566685 0.5000000), wk = 0.0033557 k( 66) = ( -0.3656267 0.3656267 0.4910418), wk = 0.0033557 k( 67) = ( -0.3745849 0.3745849 0.4820836), wk = 0.0033557 k( 68) = ( -0.3835431 0.3835431 0.4731253), wk = 0.0033557 k( 69) = ( -0.3925014 0.3925014 0.4641671), wk = 0.0033557 k( 70) = ( -0.4014596 0.4014596 0.4552089), wk = 0.0033557 k( 71) = ( -0.4104178 0.4104178 0.4462507), wk = 0.0033557 k( 72) = ( -0.4193760 0.4193760 0.4372924), wk = 0.0033557 k( 73) = ( -0.4283342 0.4283342 0.4283342), wk = 0.0033557 k( 74) = ( -0.4283342 0.4283342 0.4283342), wk = 0.0033557 k( 75) = ( -0.4185994 0.4185994 0.4185994), wk = 0.0033557 k( 76) = ( -0.4088645 0.4088645 0.4088645), wk = 0.0033557 k( 77) = ( -0.3991296 0.3991296 0.3991296), wk = 0.0033557 k( 78) = ( -0.3893948 0.3893948 0.3893948), wk = 0.0033557 k( 79) = ( -0.3796599 0.3796599 0.3796599), wk = 0.0033557 k( 80) = ( -0.3699250 0.3699250 0.3699250), wk = 0.0033557 k( 81) = ( -0.3601901 0.3601901 0.3601902), wk = 0.0033557 k( 82) = ( -0.3504553 0.3504553 0.3504553), wk = 0.0033557 k( 83) = ( -0.3407204 0.3407204 0.3407204), wk = 0.0033557 k( 84) = ( -0.3309855 0.3309855 0.3309855), wk = 0.0033557 k( 85) = ( -0.3212507 0.3212507 0.3212507), wk = 0.0033557 k( 86) = ( -0.3115158 0.3115158 0.3115158), wk = 0.0033557 k( 87) = ( -0.3017809 0.3017809 0.3017809), wk = 0.0033557 k( 88) = ( -0.2920461 0.2920461 0.2920461), wk = 0.0033557 k( 89) = ( -0.2823112 0.2823112 0.2823112), wk = 0.0033557 k( 90) = ( -0.2725763 0.2725763 0.2725763), wk = 0.0033557 k( 91) = ( -0.2628415 0.2628415 0.2628415), wk = 0.0033557 k( 92) = ( -0.2531066 0.2531066 0.2531066), wk = 0.0033557 k( 93) = ( -0.2433717 0.2433717 0.2433717), wk = 0.0033557 k( 94) = ( -0.2336369 0.2336369 0.2336369), wk = 0.0033557 k( 95) = ( -0.2239020 0.2239020 0.2239020), wk = 0.0033557 k( 96) = ( -0.2141671 0.2141671 0.2141671), wk = 0.0033557 k( 97) = ( -0.2044323 0.2044323 0.2044323), wk = 0.0033557 k( 98) = ( -0.1946974 0.1946974 0.1946974), wk = 0.0033557 k( 99) = ( -0.1849625 0.1849625 0.1849625), wk = 0.0033557 k( 100) = ( -0.1752276 0.1752276 0.1752276), wk = 0.0033557 k( 101) = ( -0.1654928 0.1654928 0.1654928), wk = 0.0033557 k( 102) = ( -0.1557579 0.1557579 0.1557579), wk = 0.0033557 k( 103) = ( -0.1460230 0.1460230 0.1460230), wk = 0.0033557 k( 104) = ( -0.1362882 0.1362882 0.1362882), wk = 0.0033557 k( 105) = ( -0.1265533 0.1265533 0.1265533), wk = 0.0033557 k( 106) = ( -0.1168184 0.1168184 0.1168184), wk = 0.0033557 k( 107) = ( -0.1070836 0.1070836 0.1070836), wk = 0.0033557 k( 108) = ( -0.0973487 0.0973487 0.0973487), wk = 0.0033557 k( 109) = ( -0.0876138 0.0876138 0.0876138), wk = 0.0033557 k( 110) = ( -0.0778790 0.0778790 0.0778790), wk = 0.0033557 k( 111) = ( -0.0681441 0.0681441 0.0681441), wk = 0.0033557 k( 112) = ( -0.0584092 0.0584092 0.0584092), wk = 0.0033557 k( 113) = ( -0.0486743 0.0486743 0.0486743), wk = 0.0033557 k( 114) = ( -0.0389395 0.0389395 0.0389395), wk = 0.0033557 k( 115) = ( -0.0292046 0.0292046 0.0292046), wk = 0.0033557 k( 116) = ( -0.0194697 0.0194697 0.0194697), wk = 0.0033557 k( 117) = ( -0.0097349 0.0097349 0.0097349), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 120) = ( 0.0116279 0.0116279 -0.0116279), wk = 0.0033557 k( 121) = ( 0.0232558 0.0232558 -0.0232558), wk = 0.0033557 k( 122) = ( 0.0348837 0.0348837 -0.0348837), wk = 0.0033557 k( 123) = ( 0.0465116 0.0465116 -0.0465116), wk = 0.0033557 k( 124) = ( 0.0581395 0.0581395 -0.0581395), wk = 0.0033557 k( 125) = ( 0.0697674 0.0697674 -0.0697674), wk = 0.0033557 k( 126) = ( 0.0813954 0.0813954 -0.0813954), wk = 0.0033557 k( 127) = ( 0.0930233 0.0930233 -0.0930233), wk = 0.0033557 k( 128) = ( 0.1046512 0.1046512 -0.1046512), wk = 0.0033557 k( 129) = ( 0.1162791 0.1162791 -0.1162791), wk = 0.0033557 k( 130) = ( 0.1279070 0.1279070 -0.1279070), wk = 0.0033557 k( 131) = ( 0.1395349 0.1395349 -0.1395349), wk = 0.0033557 k( 132) = ( 0.1511628 0.1511628 -0.1511628), wk = 0.0033557 k( 133) = ( 0.1627907 0.1627907 -0.1627907), wk = 0.0033557 k( 134) = ( 0.1744186 0.1744186 -0.1744186), wk = 0.0033557 k( 135) = ( 0.1860465 0.1860465 -0.1860465), wk = 0.0033557 k( 136) = ( 0.1976744 0.1976744 -0.1976744), wk = 0.0033557 k( 137) = ( 0.2093023 0.2093023 -0.2093023), wk = 0.0033557 k( 138) = ( 0.2209302 0.2209302 -0.2209302), wk = 0.0033557 k( 139) = ( 0.2325581 0.2325581 -0.2325581), wk = 0.0033557 k( 140) = ( 0.2441860 0.2441860 -0.2441860), wk = 0.0033557 k( 141) = ( 0.2558140 0.2558140 -0.2558140), wk = 0.0033557 k( 142) = ( 0.2674419 0.2674419 -0.2674419), wk = 0.0033557 k( 143) = ( 0.2790698 0.2790698 -0.2790698), wk = 0.0033557 k( 144) = ( 0.2906977 0.2906977 -0.2906977), wk = 0.0033557 k( 145) = ( 0.3023256 0.3023256 -0.3023256), wk = 0.0033557 k( 146) = ( 0.3139535 0.3139535 -0.3139535), wk = 0.0033557 k( 147) = ( 0.3255814 0.3255814 -0.3255814), wk = 0.0033557 k( 148) = ( 0.3372093 0.3372093 -0.3372093), wk = 0.0033557 k( 149) = ( 0.3488372 0.3488372 -0.3488372), wk = 0.0033557 k( 150) = ( 0.3604651 0.3604651 -0.3604651), wk = 0.0033557 k( 151) = ( 0.3720930 0.3720930 -0.3720930), wk = 0.0033557 k( 152) = ( 0.3837209 0.3837209 -0.3837209), wk = 0.0033557 k( 153) = ( 0.3953488 0.3953488 -0.3953488), wk = 0.0033557 k( 154) = ( 0.4069767 0.4069767 -0.4069767), wk = 0.0033557 k( 155) = ( 0.4186047 0.4186047 -0.4186047), wk = 0.0033557 k( 156) = ( 0.4302326 0.4302326 -0.4302326), wk = 0.0033557 k( 157) = ( 0.4418605 0.4418605 -0.4418605), wk = 0.0033557 k( 158) = ( 0.4534884 0.4534884 -0.4534884), wk = 0.0033557 k( 159) = ( 0.4651163 0.4651163 -0.4651163), wk = 0.0033557 k( 160) = ( 0.4767442 0.4767442 -0.4767442), wk = 0.0033557 k( 161) = ( 0.4883721 0.4883721 -0.4883721), wk = 0.0033557 k( 162) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 163) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 164) = ( 0.4910418 0.5089582 -0.4910418), wk = 0.0033557 k( 165) = ( 0.4820836 0.5179164 -0.4820836), wk = 0.0033557 k( 166) = ( 0.4731253 0.5268747 -0.4731253), wk = 0.0033557 k( 167) = ( 0.4641671 0.5358329 -0.4641671), wk = 0.0033557 k( 168) = ( 0.4552089 0.5447911 -0.4552089), wk = 0.0033557 k( 169) = ( 0.4462507 0.5537493 -0.4462507), wk = 0.0033557 k( 170) = ( 0.4372924 0.5627075 -0.4372924), wk = 0.0033557 k( 171) = ( 0.4283342 0.5716658 -0.4283342), wk = 0.0033557 k( 172) = ( 0.4283342 0.5716658 -0.4283342), wk = 0.0033557 k( 173) = ( 0.4135641 0.5691945 -0.4135641), wk = 0.0033557 k( 174) = ( 0.3987939 0.5667233 -0.3987939), wk = 0.0033557 k( 175) = ( 0.3840238 0.5642521 -0.3840238), wk = 0.0033557 k( 176) = ( 0.3692536 0.5617808 -0.3692537), wk = 0.0033557 k( 177) = ( 0.3544835 0.5593096 -0.3544835), wk = 0.0033557 k( 178) = ( 0.3397134 0.5568384 -0.3397133), wk = 0.0033557 k( 179) = ( 0.3249432 0.5543671 -0.3249432), wk = 0.0033557 k( 180) = ( 0.3101731 0.5518959 -0.3101731), wk = 0.0033557 k( 181) = ( 0.2954029 0.5494247 -0.2954029), wk = 0.0033557 k( 182) = ( 0.2806328 0.5469534 -0.2806328), wk = 0.0033557 k( 183) = ( 0.2658626 0.5444822 -0.2658626), wk = 0.0033557 k( 184) = ( 0.2510925 0.5420110 -0.2510925), wk = 0.0033557 k( 185) = ( 0.2363223 0.5395397 -0.2363223), wk = 0.0033557 k( 186) = ( 0.2215522 0.5370685 -0.2215522), wk = 0.0033557 k( 187) = ( 0.2067820 0.5345973 -0.2067820), wk = 0.0033557 k( 188) = ( 0.1920119 0.5321260 -0.1920119), wk = 0.0033557 k( 189) = ( 0.1772418 0.5296548 -0.1772418), wk = 0.0033557 k( 190) = ( 0.1624716 0.5271836 -0.1624716), wk = 0.0033557 k( 191) = ( 0.1477015 0.5247123 -0.1477015), wk = 0.0033557 k( 192) = ( 0.1329313 0.5222411 -0.1329313), wk = 0.0033557 k( 193) = ( 0.1181612 0.5197699 -0.1181612), wk = 0.0033557 k( 194) = ( 0.1033910 0.5172986 -0.1033910), wk = 0.0033557 k( 195) = ( 0.0886209 0.5148274 -0.0886209), wk = 0.0033557 k( 196) = ( 0.0738507 0.5123562 -0.0738507), wk = 0.0033557 k( 197) = ( 0.0590806 0.5098849 -0.0590806), wk = 0.0033557 k( 198) = ( 0.0443104 0.5074137 -0.0443104), wk = 0.0033557 k( 199) = ( 0.0295403 0.5049425 -0.0295403), wk = 0.0033557 k( 200) = ( 0.0147701 0.5024712 -0.0147702), wk = 0.0033557 k( 201) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557 k( 202) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557 k( 203) = ( 0.0096154 0.4903846 0.0096154), wk = 0.0033557 k( 204) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0033557 k( 205) = ( 0.0288462 0.4711538 0.0288462), wk = 0.0033557 k( 206) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0033557 k( 207) = ( 0.0480769 0.4519231 0.0480769), wk = 0.0033557 k( 208) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0033557 k( 209) = ( 0.0673077 0.4326923 0.0673077), wk = 0.0033557 k( 210) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0033557 k( 211) = ( 0.0865385 0.4134615 0.0865385), wk = 0.0033557 k( 212) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0033557 k( 213) = ( 0.1057692 0.3942308 0.1057692), wk = 0.0033557 k( 214) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0033557 k( 215) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033557 k( 216) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0033557 k( 217) = ( 0.1442308 0.3557692 0.1442308), wk = 0.0033557 k( 218) = ( 0.1538461 0.3461539 0.1538461), wk = 0.0033557 k( 219) = ( 0.1634615 0.3365385 0.1634615), wk = 0.0033557 k( 220) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0033557 k( 221) = ( 0.1826923 0.3173077 0.1826923), wk = 0.0033557 k( 222) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0033557 k( 223) = ( 0.2019231 0.2980769 0.2019231), wk = 0.0033557 k( 224) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0033557 k( 225) = ( 0.2211539 0.2788462 0.2211539), wk = 0.0033557 k( 226) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0033557 k( 227) = ( 0.2403846 0.2596154 0.2403846), wk = 0.0033557 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 k( 229) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 k( 230) = ( 0.2573529 0.2573529 0.2321568), wk = 0.0033557 k( 231) = ( 0.2647059 0.2647059 0.2143136), wk = 0.0033557 k( 232) = ( 0.2720588 0.2720588 0.1964704), wk = 0.0033557 k( 233) = ( 0.2794118 0.2794118 0.1786272), wk = 0.0033557 k( 234) = ( 0.2867647 0.2867647 0.1607841), wk = 0.0033557 k( 235) = ( 0.2941177 0.2941177 0.1429409), wk = 0.0033557 k( 236) = ( 0.3014706 0.3014706 0.1250977), wk = 0.0033557 k( 237) = ( 0.3088235 0.3088235 0.1072545), wk = 0.0033557 k( 238) = ( 0.3161765 0.3161765 0.0894113), wk = 0.0033557 k( 239) = ( 0.3235294 0.3235294 0.0715681), wk = 0.0033557 k( 240) = ( 0.3308823 0.3308823 0.0537249), wk = 0.0033557 k( 241) = ( 0.3382353 0.3382353 0.0358817), wk = 0.0033557 k( 242) = ( 0.3455882 0.3455882 0.0180385), wk = 0.0033557 k( 243) = ( 0.3529412 0.3529412 0.0001953), wk = 0.0033557 k( 244) = ( 0.3602941 0.3602941 -0.0176478), wk = 0.0033557 k( 245) = ( 0.3676471 0.3676471 -0.0354910), wk = 0.0033557 k( 246) = ( 0.3750000 0.3750000 -0.0533342), wk = 0.0033557 k( 247) = ( 0.3823529 0.3823529 -0.0711774), wk = 0.0033557 k( 248) = ( 0.3897059 0.3897059 -0.0890206), wk = 0.0033557 k( 249) = ( 0.3970588 0.3970588 -0.1068638), wk = 0.0033557 k( 250) = ( 0.4044118 0.4044118 -0.1247070), wk = 0.0033557 k( 251) = ( 0.4117647 0.4117647 -0.1425502), wk = 0.0033557 k( 252) = ( 0.4191177 0.4191176 -0.1603934), wk = 0.0033557 k( 253) = ( 0.4264706 0.4264706 -0.1782366), wk = 0.0033557 k( 254) = ( 0.4338235 0.4338235 -0.1960797), wk = 0.0033557 k( 255) = ( 0.4411765 0.4411765 -0.2139229), wk = 0.0033557 k( 256) = ( 0.4485294 0.4485294 -0.2317661), wk = 0.0033557 k( 257) = ( 0.4558823 0.4558823 -0.2496093), wk = 0.0033557 k( 258) = ( 0.4632353 0.4632353 -0.2674525), wk = 0.0033557 k( 259) = ( 0.4705882 0.4705882 -0.2852957), wk = 0.0033557 k( 260) = ( 0.4779412 0.4779412 -0.3031389), wk = 0.0033557 k( 261) = ( 0.4852941 0.4852941 -0.3209821), wk = 0.0033557 k( 262) = ( 0.4926471 0.4926471 -0.3388253), wk = 0.0033557 k( 263) = ( 0.5000000 0.5000000 -0.3566685), wk = 0.0033557 k( 264) = ( 0.5000000 0.5000000 -0.3566685), wk = 0.0033557 k( 265) = ( 0.5000000 0.5000000 -0.3696986), wk = 0.0033557 k( 266) = ( 0.5000000 0.5000000 -0.3827287), wk = 0.0033557 k( 267) = ( 0.5000000 0.5000000 -0.3957589), wk = 0.0033557 k( 268) = ( 0.5000000 0.5000000 -0.4087890), wk = 0.0033557 k( 269) = ( 0.5000000 0.5000000 -0.4218192), wk = 0.0033557 k( 270) = ( 0.5000000 0.5000000 -0.4348493), wk = 0.0033557 k( 271) = ( 0.5000000 0.5000000 -0.4478794), wk = 0.0033557 k( 272) = ( 0.5000000 0.5000000 -0.4609096), wk = 0.0033557 k( 273) = ( 0.5000000 0.5000000 -0.4739397), wk = 0.0033557 k( 274) = ( 0.5000000 0.5000000 -0.4869699), wk = 0.0033557 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033557 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 277) = ( 0.0113636 0.0113636 0.4886364), wk = 0.0033557 k( 278) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0033557 k( 279) = ( 0.0340909 0.0340909 0.4659091), wk = 0.0033557 k( 280) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0033557 k( 281) = ( 0.0568182 0.0568182 0.4431818), wk = 0.0033557 k( 282) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0033557 k( 283) = ( 0.0795455 0.0795455 0.4204545), wk = 0.0033557 k( 284) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0033557 k( 285) = ( 0.1022727 0.1022727 0.3977273), wk = 0.0033557 k( 286) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0033557 k( 287) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033557 k( 288) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0033557 k( 289) = ( 0.1477273 0.1477273 0.3522727), wk = 0.0033557 k( 290) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0033557 k( 291) = ( 0.1704546 0.1704546 0.3295455), wk = 0.0033557 k( 292) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0033557 k( 293) = ( 0.1931818 0.1931818 0.3068182), wk = 0.0033557 k( 294) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0033557 k( 295) = ( 0.2159091 0.2159091 0.2840909), wk = 0.0033557 k( 296) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0033557 k( 297) = ( 0.2386364 0.2386364 0.2613636), wk = 0.0033557 k( 298) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033557 Dense grid: 92627 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 38849 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 280, 68) NL pseudopotentials 0.32 Mb ( 140, 152) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2572) G-vector shells 0.01 Mb ( 1171) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 280, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.32 Mb ( 152, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./TlN3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 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 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.5 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.7 secs Computing kpt #: 23 total cpu time spent up to now is 16.5 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.0 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.9 secs Computing kpt #: 32 total cpu time spent up to now is 22.5 secs Computing kpt #: 33 total cpu time spent up to now is 23.2 secs Computing kpt #: 34 total cpu time spent up to now is 23.8 secs Computing kpt #: 35 total cpu time spent up to now is 24.4 secs Computing kpt #: 36 total cpu time spent up to now is 25.0 secs Computing kpt #: 37 total cpu time spent up to now is 25.6 secs Computing kpt #: 38 total cpu time spent up to now is 26.2 secs Computing kpt #: 39 total cpu time spent up to now is 26.9 secs Computing kpt #: 40 total cpu time spent up to now is 27.5 secs Computing kpt #: 41 total cpu time spent up to now is 28.1 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.4 secs Computing kpt #: 44 total cpu time spent up to now is 30.0 secs Computing kpt #: 45 total cpu time spent up to now is 30.8 secs Computing kpt #: 46 total cpu time spent up to now is 31.5 secs Computing kpt #: 47 total cpu time spent up to now is 32.3 secs Computing kpt #: 48 total cpu time spent up to now is 33.0 secs Computing kpt #: 49 total cpu time spent up to now is 33.8 secs Computing kpt #: 50 total cpu time spent up to now is 34.6 secs Computing kpt #: 51 total cpu time spent up to now is 35.4 secs Computing kpt #: 52 total cpu time spent up to now is 36.1 secs Computing kpt #: 53 total cpu time spent up to now is 36.9 secs Computing kpt #: 54 total cpu time spent up to now is 37.7 secs Computing kpt #: 55 total cpu time spent up to now is 38.3 secs Computing kpt #: 56 total cpu time spent up to now is 39.0 secs Computing kpt #: 57 total cpu time spent up to now is 39.8 secs Computing kpt #: 58 total cpu time spent up to now is 40.5 secs Computing kpt #: 59 total cpu time spent up to now is 41.3 secs Computing kpt #: 60 total cpu time spent up to now is 42.0 secs Computing kpt #: 61 total cpu time spent up to now is 42.7 secs Computing kpt #: 62 total cpu time spent up to now is 43.5 secs Computing kpt #: 63 total cpu time spent up to now is 44.3 secs Computing kpt #: 64 total cpu time spent up to now is 45.1 secs Computing kpt #: 65 total cpu time spent up to now is 45.8 secs Computing kpt #: 66 total cpu time spent up to now is 46.5 secs Computing kpt #: 67 total cpu time spent up to now is 47.2 secs Computing kpt #: 68 total cpu time spent up to now is 47.9 secs Computing kpt #: 69 total cpu time spent up to now is 48.5 secs Computing kpt #: 70 total cpu time spent up to now is 49.2 secs Computing kpt #: 71 total cpu time spent up to now is 49.9 secs Computing kpt #: 72 total cpu time spent up to now is 50.6 secs Computing kpt #: 73 total cpu time spent up to now is 51.2 secs Computing kpt #: 74 total cpu time spent up to now is 51.9 secs Computing kpt #: 75 total cpu time spent up to now is 52.5 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 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63.5 secs Computing kpt #: 93 total cpu time spent up to now is 64.3 secs Computing kpt #: 94 total cpu time spent up to now is 65.0 secs Computing kpt #: 95 total cpu time spent up to now is 65.8 secs Computing kpt #: 96 total cpu time spent up to now is 66.6 secs Computing kpt #: 97 total cpu time spent up to now is 67.4 secs Computing kpt #: 98 total cpu time spent up to now is 68.3 secs Computing kpt #: 99 total cpu time spent up to now is 69.0 secs Computing kpt #: 100 total cpu time spent up to now is 69.7 secs Computing kpt #: 101 total cpu time spent up to now is 70.3 secs Computing kpt #: 102 total cpu time spent up to now is 70.9 secs Computing kpt #: 103 total cpu time spent up to now is 71.5 secs Computing kpt #: 104 total cpu time spent up to now is 72.2 secs Computing kpt #: 105 total cpu time spent up to now is 72.8 secs Computing kpt #: 106 total cpu time spent up to now is 73.4 secs Computing kpt #: 107 total cpu time spent up to now is 74.0 secs Computing kpt #: 108 total cpu time spent up to now is 74.7 secs Computing kpt #: 109 total cpu time spent up to now is 75.3 secs Computing kpt #: 110 total cpu time spent up to now is 75.9 secs Computing kpt #: 111 total cpu time spent up to now is 76.5 secs Computing kpt #: 112 total cpu time spent up to now is 77.1 secs Computing kpt #: 113 total cpu time spent up to now is 77.7 secs Computing kpt #: 114 total cpu time spent up to now is 78.3 secs Computing kpt #: 115 total cpu time spent up to now is 78.9 secs Computing kpt #: 116 total cpu time spent up to now is 79.6 secs Computing kpt #: 117 total cpu time spent up to now is 80.2 secs Computing kpt #: 118 total cpu time spent up to now is 81.0 secs Computing kpt #: 119 total cpu time spent up to now is 81.7 secs Computing kpt #: 120 total cpu time spent up to now is 82.6 secs Computing kpt #: 121 total cpu time spent up to now is 83.4 secs Computing kpt #: 122 total cpu time spent up to now is 84.2 secs Computing kpt #: 123 total cpu time spent up 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Computing kpt #: 139 total cpu time spent up to now is 95.8 secs Computing kpt #: 140 total cpu time spent up to now is 96.4 secs Computing kpt #: 141 total cpu time spent up to now is 97.0 secs Computing kpt #: 142 total cpu time spent up to now is 97.6 secs Computing kpt #: 143 total cpu time spent up to now is 98.6 secs Computing kpt #: 144 total cpu time spent up to now is 99.2 secs Computing kpt #: 145 total cpu time spent up to now is 99.8 secs Computing kpt #: 146 total cpu time spent up to now is 100.4 secs Computing kpt #: 147 total cpu time spent up to now is 101.0 secs Computing kpt #: 148 total cpu time spent up to now is 101.6 secs Computing kpt #: 149 total cpu time spent up to now is 102.2 secs Computing kpt #: 150 total cpu time spent up to now is 102.8 secs Computing kpt #: 151 total cpu time spent up to now is 103.4 secs Computing kpt #: 152 total cpu time spent up to now is 104.0 secs Computing kpt #: 153 total cpu time spent up to now is 104.6 secs Computing kpt #: 154 total cpu time spent up to now is 105.2 secs Computing kpt #: 155 total cpu time spent up to now is 105.8 secs Computing kpt #: 156 total cpu time spent up to now is 106.4 secs Computing kpt #: 157 total cpu time spent up to now is 107.1 secs Computing kpt #: 158 total cpu time spent up to now is 107.7 secs Computing kpt #: 159 total cpu time spent up to now is 108.3 secs Computing kpt #: 160 total cpu time spent up to now is 109.0 secs Computing kpt #: 161 total cpu time spent up to now is 109.8 secs Computing kpt #: 162 total cpu time spent up to now is 110.5 secs Computing kpt #: 163 total cpu time spent up to now is 111.3 secs Computing kpt #: 164 total cpu time spent up to now is 112.0 secs Computing kpt #: 165 total cpu time spent up to now is 112.7 secs Computing kpt #: 166 total cpu time spent up to now is 113.3 secs Computing kpt #: 167 total cpu time spent up to now is 114.0 secs Computing kpt #: 168 total cpu time spent up to now is 114.7 secs Computing kpt #: 169 total cpu time spent up to now is 115.4 secs Computing kpt #: 170 total cpu time spent up to now is 116.1 secs Computing kpt #: 171 total cpu time spent up to now is 116.7 secs Computing kpt #: 172 total cpu time spent up to now is 117.4 secs Computing kpt #: 173 total cpu time spent up to now is 118.1 secs Computing kpt #: 174 total cpu time spent up to now is 118.7 secs Computing kpt #: 175 total cpu time spent up to now is 119.4 secs Computing kpt #: 176 total cpu time spent up to now is 120.0 secs Computing kpt #: 177 total cpu time spent up to now is 120.7 secs Computing kpt #: 178 total cpu time spent up to now is 121.3 secs Computing kpt #: 179 total cpu time spent up to now is 122.0 secs Computing kpt #: 180 total cpu time spent up to now is 122.6 secs Computing kpt #: 181 total cpu time spent up to now is 123.3 secs Computing kpt #: 182 total cpu time spent up to now is 123.9 secs Computing kpt #: 183 total cpu time spent up to now is 124.6 secs Computing kpt #: 184 total cpu time spent up to now is 125.2 secs Computing kpt #: 185 total cpu time spent up to now is 125.8 secs Computing kpt #: 186 total cpu time spent up to now is 126.5 secs Computing kpt #: 187 total cpu time spent up to now is 127.1 secs Computing kpt #: 188 total cpu time spent up to now is 127.8 secs Computing kpt #: 189 total cpu time spent up to now is 128.4 secs Computing kpt #: 190 total cpu time spent up to now is 129.1 secs Computing kpt #: 191 total cpu time spent up to now is 129.8 secs Computing kpt #: 192 total cpu time spent up to now is 130.4 secs Computing kpt #: 193 total cpu time spent up to now is 131.1 secs Computing kpt #: 194 total cpu time spent up to now is 131.8 secs Computing kpt #: 195 total cpu time spent up to now is 132.5 secs Computing kpt #: 196 total cpu time spent up to now is 133.6 secs Computing kpt #: 197 total cpu time spent up to now is 134.4 secs Computing kpt #: 198 total cpu time spent up to now is 135.1 secs Computing kpt #: 199 total cpu time spent up to now is 135.8 secs Computing kpt #: 200 total cpu time spent up to now is 136.4 secs Computing kpt #: 201 total cpu time spent up to now is 137.1 secs Computing kpt #: 202 total cpu time spent up to now is 137.8 secs Computing kpt #: 203 total cpu time spent up to now is 138.5 secs Computing kpt #: 204 total cpu time spent up to now is 139.2 secs Computing kpt #: 205 total cpu time spent up to now is 139.8 secs Computing kpt #: 206 total cpu time spent up to now is 140.5 secs Computing kpt #: 207 total cpu time spent up to now is 141.2 secs Computing kpt #: 208 total cpu time spent up to now is 141.9 secs Computing kpt #: 209 total cpu time spent up to now is 142.5 secs Computing kpt #: 210 total cpu time spent up to now is 143.2 secs Computing kpt #: 211 total cpu time spent up to now is 143.9 secs Computing kpt #: 212 total cpu time spent up to now is 144.6 secs Computing kpt #: 213 total cpu time spent up to now is 145.2 secs Computing kpt #: 214 total cpu time spent up to now is 145.9 secs Computing kpt #: 215 total cpu time spent up to now is 146.6 secs Computing kpt #: 216 total cpu time spent up to now is 147.2 secs Computing kpt #: 217 total cpu time spent up to now is 147.9 secs Computing kpt #: 218 total cpu time spent up to now is 148.6 secs Computing kpt #: 219 total cpu time spent up to now is 149.3 secs Computing kpt #: 220 total cpu time spent up to now is 149.9 secs Computing kpt #: 221 total cpu time spent up to now is 150.6 secs Computing kpt #: 222 total cpu time spent up to now is 151.3 secs Computing kpt #: 223 total cpu time spent up to now is 152.0 secs Computing kpt #: 224 total cpu time spent up to now is 152.7 secs Computing kpt #: 225 total cpu time spent up to now is 153.3 secs Computing kpt #: 226 total cpu time spent up to now is 154.0 secs Computing kpt #: 227 total cpu time spent up to now is 154.7 secs Computing kpt #: 228 total cpu time spent up to now is 155.4 secs Computing kpt #: 229 total cpu time spent up to now is 156.0 secs Computing kpt #: 230 total cpu time spent up to now is 156.7 secs Computing kpt #: 231 total cpu time spent up to now is 157.4 secs Computing kpt #: 232 total cpu time spent up to now is 158.1 secs Computing kpt #: 233 total cpu time spent up to now is 158.7 secs Computing kpt #: 234 total cpu time spent up to now is 159.4 secs Computing kpt #: 235 total cpu time spent up to now is 160.1 secs Computing kpt #: 236 total cpu time spent up to now is 160.7 secs Computing kpt #: 237 total cpu time spent up to now is 161.4 secs Computing kpt #: 238 total cpu time spent up to now is 162.1 secs Computing kpt #: 239 total cpu time spent up to now is 162.7 secs Computing kpt #: 240 total cpu time spent up to now is 163.4 secs Computing kpt #: 241 total cpu time spent up to now is 164.2 secs Computing kpt #: 242 total cpu time spent up to now is 164.9 secs Computing kpt #: 243 total cpu time spent up to now is 165.7 secs Computing kpt #: 244 total cpu time spent up to now is 166.5 secs Computing kpt #: 245 total cpu time spent up to now is 167.2 secs Computing kpt #: 246 total cpu time spent up to now is 167.8 secs Computing kpt #: 247 total cpu time spent up to now is 168.5 secs Computing kpt #: 248 total cpu time spent up to now is 169.2 secs Computing kpt #: 249 total cpu time spent up to now is 169.9 secs Computing kpt #: 250 total cpu time spent up to now is 170.6 secs Computing kpt #: 251 total cpu time spent up to now is 171.3 secs Computing kpt #: 252 total cpu time spent up to now is 172.0 secs Computing kpt #: 253 total cpu time spent up to now is 172.6 secs Computing kpt #: 254 total cpu time spent up to now is 173.3 secs Computing kpt #: 255 total cpu time spent up to now is 173.9 secs Computing kpt #: 256 total cpu time spent up to now is 174.6 secs Computing kpt #: 257 total cpu time spent up to now is 175.3 secs Computing kpt #: 258 total cpu time spent up to now is 175.9 secs Computing kpt #: 259 total cpu time spent up to now is 176.6 secs Computing kpt #: 260 total cpu time spent up to now is 177.3 secs Computing kpt #: 261 total cpu time spent up to now is 178.0 secs Computing kpt #: 262 total cpu time spent up to now is 178.7 secs Computing kpt #: 263 total cpu time spent up to now is 179.5 secs Computing kpt #: 264 total cpu time spent up to now is 180.1 secs Computing kpt #: 265 total cpu time spent up to now is 180.8 secs Computing kpt #: 266 total cpu time spent up to now is 181.5 secs Computing kpt #: 267 total cpu time spent up to now is 182.2 secs Computing kpt #: 268 total cpu time spent up to now is 183.0 secs Computing kpt #: 269 total cpu time spent up to now is 183.8 secs Computing kpt #: 270 total cpu time spent up to now is 184.4 secs Computing kpt #: 271 total cpu time spent up to now is 185.1 secs Computing kpt #: 272 total cpu time spent up to now is 185.8 secs Computing kpt #: 273 total cpu time spent up to now is 186.6 secs Computing kpt #: 274 total cpu time spent up to now is 187.3 secs Computing kpt #: 275 total cpu time spent up to now is 188.1 secs Computing kpt #: 276 total cpu time spent up to now is 188.7 secs Computing kpt #: 277 total cpu time spent up to now is 189.3 secs Computing kpt #: 278 total cpu time spent up to now is 189.9 secs Computing kpt #: 279 total cpu time spent up to now is 190.6 secs Computing kpt #: 280 total cpu time spent up to now is 191.2 secs Computing kpt #: 281 total cpu time spent up to now is 191.8 secs Computing kpt #: 282 total cpu time spent up to now is 192.4 secs Computing kpt #: 283 total cpu time spent up to now is 193.1 secs Computing kpt #: 284 total cpu time spent up to now is 193.7 secs Computing kpt #: 285 total cpu time spent up to now is 194.3 secs Computing kpt #: 286 total cpu time spent up to now is 195.0 secs Computing kpt #: 287 total cpu time spent up to now is 195.6 secs Computing kpt #: 288 total cpu time spent up to now is 196.2 secs Computing kpt #: 289 total cpu time spent up to now is 196.8 secs Computing kpt #: 290 total cpu time spent up to now is 197.5 secs Computing kpt #: 291 total cpu time spent up to now is 198.3 secs Computing kpt #: 292 total cpu time spent up to now is 198.9 secs Computing kpt #: 293 total cpu time spent up to now is 199.6 secs Computing kpt #: 294 total cpu time spent up to now is 200.3 secs Computing kpt #: 295 total cpu time spent up to now is 200.9 secs Computing kpt #: 296 total cpu time spent up to now is 201.6 secs Computing kpt #: 297 total cpu time spent up to now is 202.3 secs Computing kpt #: 298 total cpu time spent up to now is 203.0 secs ethr = 1.79E-08, avg # of iterations = 19.1 total cpu time spent up to now is 203.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -18.3360 -18.3360 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5526 -6.5526 -6.5512 -6.5512 -6.5399 -6.5399 -4.5149 -4.5149 -4.4444 -4.4444 -4.4291 -4.4291 -4.3644 -4.3644 -4.3206 -4.3206 -4.2938 -4.2938 -2.8510 -2.8510 -2.4509 -2.4509 -2.3836 -2.3836 -2.3544 -2.3544 -2.1934 -2.1934 -1.2717 -1.2717 -0.0018 -0.0018 0.0297 0.0297 1.8341 1.8341 1.8849 1.8849 2.4280 2.4280 3.0833 3.0833 3.1924 3.1924 4.1954 4.1954 7.9454 7.9454 8.6689 8.6689 8.6987 8.6987 9.4940 9.4940 9.9007 9.9007 10.0047 10.0047 k = 0.0000 0.0000 0.0181 ( 4887 PWs) bands (ev): -18.3359 -18.3359 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5527 -6.5527 -6.5511 -6.5511 -6.5399 -6.5399 -4.5148 -4.5148 -4.4444 -4.4444 -4.4290 -4.4290 -4.3644 -4.3644 -4.3206 -4.3206 -4.2938 -4.2938 -2.8518 -2.8518 -2.4514 -2.4514 -2.3828 -2.3828 -2.3536 -2.3536 -2.1932 -2.1932 -1.2714 -1.2714 -0.0030 -0.0030 0.0284 0.0284 1.8298 1.8298 1.8853 1.8853 2.4304 2.4304 3.0866 3.0866 3.1956 3.1956 4.1934 4.1934 7.9455 7.9455 8.6526 8.6526 8.7108 8.7108 9.4925 9.4925 9.8947 9.8947 9.9885 9.9885 k = 0.0000 0.0000 0.0362 ( 4879 PWs) bands (ev): -18.3358 -18.3358 -18.2580 -18.2580 -14.0351 -14.0351 -14.0346 -14.0346 -6.5685 -6.5685 -6.5528 -6.5528 -6.5509 -6.5509 -6.5399 -6.5399 -4.5146 -4.5146 -4.4444 -4.4444 -4.4288 -4.4288 -4.3644 -4.3644 -4.3206 -4.3206 -4.2940 -4.2940 -2.8541 -2.8541 -2.4528 -2.4528 -2.3808 -2.3808 -2.3511 -2.3511 -2.1926 -2.1926 -1.2705 -1.2705 -0.0067 -0.0067 0.0249 0.0249 1.8171 1.8171 1.8865 1.8865 2.4379 2.4379 3.0961 3.0961 3.2056 3.2056 4.1874 4.1874 7.9456 7.9456 8.6232 8.6232 8.7277 8.7277 9.4880 9.4880 9.8741 9.8741 9.9669 9.9669 k = 0.0000 0.0000 0.0543 ( 4879 PWs) bands (ev): -18.3356 -18.3356 -18.2582 -18.2582 -14.0351 -14.0351 -14.0347 -14.0347 -6.5685 -6.5685 -6.5529 -6.5529 -6.5505 -6.5505 -6.5399 -6.5399 -4.5142 -4.5142 -4.4444 -4.4444 -4.4284 -4.4284 -4.3644 -4.3644 -4.3205 -4.3205 -4.2943 -4.2943 -2.8578 -2.8578 -2.4551 -2.4551 -2.3787 -2.3787 -2.3459 -2.3459 -2.1917 -2.1917 -1.2690 -1.2690 -0.0133 -0.0133 0.0197 0.0197 1.7966 1.7966 1.8885 1.8885 2.4501 2.4501 3.1099 3.1099 3.2234 3.2234 4.1775 4.1775 7.9456 7.9456 8.5880 8.5880 8.7415 8.7415 9.4805 9.4805 9.8416 9.8416 9.9580 9.9580 k = 0.0000 0.0000 0.0725 ( 4871 PWs) bands (ev): -18.3353 -18.3353 -18.2584 -18.2584 -14.0351 -14.0351 -14.0347 -14.0347 -6.5685 -6.5685 -6.5531 -6.5531 -6.5501 -6.5501 -6.5398 -6.5398 -4.5136 -4.5136 -4.4444 -4.4444 -4.4279 -4.4279 -4.3644 -4.3644 -4.3205 -4.3205 -4.2946 -4.2946 -2.8627 -2.8627 -2.4583 -2.4583 -2.3775 -2.3775 -2.3371 -2.3371 -2.1903 -2.1903 -1.2670 -1.2670 -0.0234 -0.0234 0.0133 0.0133 1.7695 1.7695 1.8911 1.8911 2.4670 2.4670 3.1263 3.1263 3.2498 3.2498 4.1638 4.1638 7.9451 7.9451 8.5480 8.5480 8.7511 8.7511 9.4703 9.4703 9.8077 9.8077 9.9577 9.9577 k = 0.0000 0.0000 0.0906 ( 4863 PWs) bands (ev): -18.3349 -18.3349 -18.2588 -18.2588 -14.0352 -14.0352 -14.0347 -14.0347 -6.5686 -6.5686 -6.5532 -6.5532 -6.5496 -6.5496 -6.5398 -6.5398 -4.5129 -4.5129 -4.4444 -4.4444 -4.4273 -4.4273 -4.3644 -4.3644 -4.3204 -4.3204 -4.2951 -4.2951 -2.8686 -2.8686 -2.4624 -2.4624 -2.3775 -2.3775 -2.3248 -2.3248 -2.1886 -2.1886 -1.2644 -1.2644 -0.0372 -0.0372 0.0064 0.0064 1.7368 1.7368 1.8944 1.8944 2.4884 2.4884 3.1437 3.1437 3.2852 3.2852 4.1466 4.1466 7.9439 7.9439 8.5032 8.5032 8.7558 8.7558 9.4585 9.4585 9.7790 9.7790 9.9621 9.9621 k = 0.0000 0.0000 0.1087 ( 4871 PWs) bands (ev): -18.3345 -18.3345 -18.2591 -18.2591 -14.0353 -14.0353 -14.0347 -14.0347 -6.5686 -6.5686 -6.5533 -6.5533 -6.5491 -6.5491 -6.5397 -6.5397 -4.5120 -4.5120 -4.4444 -4.4444 -4.4266 -4.4266 -4.3644 -4.3644 -4.3203 -4.3203 -4.2956 -4.2956 -2.8751 -2.8751 -2.4675 -2.4675 -2.3785 -2.3785 -2.3093 -2.3093 -2.1865 -2.1865 -1.2614 -1.2614 -0.0547 -0.0547 -0.0008 -0.0008 1.6997 1.6997 1.8982 1.8982 2.5141 2.5141 3.1616 3.1616 3.3288 3.3288 4.1260 4.1260 7.9415 7.9415 8.4538 8.4538 8.7549 8.7549 9.4467 9.4467 9.7576 9.7576 9.9696 9.9696 k = 0.0000 0.0000 0.1268 ( 4857 PWs) bands (ev): -18.3339 -18.3339 -18.2596 -18.2596 -14.0355 -14.0355 -14.0347 -14.0347 -6.5686 -6.5686 -6.5533 -6.5533 -6.5486 -6.5486 -6.5397 -6.5397 -4.5110 -4.5110 -4.4444 -4.4444 -4.4258 -4.4258 -4.3644 -4.3644 -4.3201 -4.3201 -4.2962 -4.2962 -2.8820 -2.8820 -2.4733 -2.4733 -2.3804 -2.3804 -2.2912 -2.2912 -2.1840 -2.1840 -1.2579 -1.2579 -0.0756 -0.0756 -0.0082 -0.0082 1.6593 1.6593 1.9024 1.9024 2.5439 2.5439 3.1802 3.1802 3.3792 3.3792 4.1024 4.1024 7.9375 7.9375 8.4000 8.4000 8.7474 8.7474 9.4374 9.4374 9.7436 9.7436 9.9801 9.9801 k = 0.0000 0.0000 0.1449 ( 4877 PWs) bands (ev): -18.3333 -18.3333 -18.2601 -18.2601 -14.0356 -14.0356 -14.0348 -14.0348 -6.5687 -6.5687 -6.5533 -6.5533 -6.5481 -6.5481 -6.5396 -6.5396 -4.5098 -4.5098 -4.4444 -4.4444 -4.4248 -4.4248 -4.3644 -4.3644 -4.3200 -4.3200 -4.2969 -4.2969 -2.8891 -2.8891 -2.4800 -2.4800 -2.3828 -2.3828 -2.2711 -2.2711 -2.1813 -2.1813 -1.2540 -1.2540 -0.0996 -0.0996 -0.0160 -0.0160 1.6165 1.6165 1.9069 1.9069 2.5776 2.5776 3.1997 3.1997 3.4351 3.4351 4.0759 4.0759 7.9315 7.9315 8.3420 8.3420 8.7325 8.7325 9.4331 9.4331 9.7360 9.7360 9.9933 9.9933 k = 0.0000 0.0000 0.1630 ( 4881 PWs) bands (ev): -18.3327 -18.3327 -18.2607 -18.2607 -14.0358 -14.0358 -14.0348 -14.0348 -6.5688 -6.5688 -6.5533 -6.5533 -6.5475 -6.5475 -6.5395 -6.5395 -4.5085 -4.5085 -4.4444 -4.4444 -4.4237 -4.4237 -4.3644 -4.3644 -4.3197 -4.3197 -4.2977 -4.2977 -2.8961 -2.8961 -2.4875 -2.4875 -2.3858 -2.3858 -2.2493 -2.2493 -2.1781 -2.1781 -1.2498 -1.2498 -0.1262 -0.1262 -0.0241 -0.0241 1.5721 1.5721 1.9117 1.9117 2.6150 2.6150 3.2203 3.2203 3.4953 3.4953 4.0469 4.0469 7.9232 7.9232 8.2804 8.2804 8.7099 8.7099 9.4358 9.4358 9.7340 9.7340 10.0093 10.0093 k = 0.0000 0.0000 0.1811 ( 4893 PWs) bands (ev): -18.3319 -18.3319 -18.2613 -18.2613 -14.0361 -14.0361 -14.0348 -14.0348 -6.5689 -6.5689 -6.5532 -6.5532 -6.5470 -6.5470 -6.5394 -6.5394 -4.5072 -4.5072 -4.4445 -4.4445 -4.4226 -4.4226 -4.3644 -4.3644 -4.3195 -4.3195 -4.2985 -4.2985 -2.9029 -2.9029 -2.4956 -2.4956 -2.3892 -2.3892 -2.2261 -2.2261 -2.1746 -2.1746 -1.2454 -1.2454 -0.1551 -0.1551 -0.0324 -0.0324 1.5268 1.5268 1.9165 1.9165 2.6558 2.6558 3.2422 3.2422 3.5586 3.5586 4.0158 4.0158 7.9123 7.9123 8.2156 8.2156 8.6795 8.6795 9.4469 9.4469 9.7365 9.7365 10.0283 10.0283 k = 0.0000 0.0000 0.1993 ( 4889 PWs) bands (ev): -18.3311 -18.3311 -18.2619 -18.2619 -14.0363 -14.0363 -14.0348 -14.0348 -6.5689 -6.5689 -6.5531 -6.5531 -6.5464 -6.5464 -6.5393 -6.5393 -4.5056 -4.5056 -4.4445 -4.4445 -4.4213 -4.4213 -4.3644 -4.3644 -4.3192 -4.3192 -4.2994 -4.2994 -2.9093 -2.9093 -2.5044 -2.5044 -2.3929 -2.3929 -2.2022 -2.2022 -2.1705 -2.1705 -1.2408 -1.2408 -0.1860 -0.1860 -0.0408 -0.0408 1.4811 1.4811 1.9213 1.9213 2.6999 2.6999 3.2654 3.2654 3.6241 3.6241 3.9829 3.9829 7.8985 7.8985 8.1482 8.1482 8.6418 8.6418 9.4665 9.4665 9.7429 9.7429 10.0504 10.0504 k = 0.0000 0.0000 0.2174 ( 4890 PWs) bands (ev): -18.3303 -18.3303 -18.2626 -18.2626 -14.0366 -14.0366 -14.0348 -14.0348 -6.5690 -6.5690 -6.5530 -6.5530 -6.5458 -6.5458 -6.5392 -6.5392 -4.5040 -4.5040 -4.4445 -4.4445 -4.4199 -4.4199 -4.3644 -4.3644 -4.3188 -4.3188 -4.3004 -4.3004 -2.9153 -2.9153 -2.5137 -2.5137 -2.3969 -2.3969 -2.1791 -2.1791 -2.1645 -2.1645 -1.2361 -1.2361 -0.2185 -0.2185 -0.0494 -0.0494 1.4355 1.4355 1.9260 1.9260 2.7471 2.7471 3.2898 3.2898 3.6913 3.6913 3.9486 3.9486 7.8814 7.8814 8.0792 8.0792 8.5977 8.5977 9.4944 9.4944 9.7525 9.7525 10.0756 10.0756 k = 0.0000 0.0000 0.2355 ( 4878 PWs) bands (ev): -18.3294 -18.3294 -18.2634 -18.2634 -14.0368 -14.0368 -14.0348 -14.0348 -6.5691 -6.5691 -6.5528 -6.5528 -6.5452 -6.5452 -6.5391 -6.5391 -4.5022 -4.5022 -4.4445 -4.4445 -4.4185 -4.4185 -4.3643 -4.3643 -4.3184 -4.3184 -4.3013 -4.3013 -2.9206 -2.9206 -2.5235 -2.5235 -2.4013 -2.4013 -2.1662 -2.1662 -2.1474 -2.1474 -1.2315 -1.2315 -0.2522 -0.2522 -0.0580 -0.0580 1.3903 1.3903 1.9305 1.9305 2.7970 2.7970 3.3155 3.3155 3.7593 3.7593 3.9131 3.9131 7.8605 7.8605 8.0097 8.0097 8.5481 8.5481 9.5298 9.5298 9.7648 9.7648 10.1041 10.1041 k = 0.0000 0.0000 0.2536 ( 4876 PWs) bands (ev): -18.3285 -18.3285 -18.2642 -18.2642 -14.0371 -14.0371 -14.0348 -14.0348 -6.5691 -6.5691 -6.5526 -6.5526 -6.5447 -6.5447 -6.5389 -6.5389 -4.5004 -4.5004 -4.4446 -4.4446 -4.4170 -4.4170 -4.3643 -4.3643 -4.3180 -4.3180 -4.3023 -4.3023 -2.9254 -2.9254 -2.5336 -2.5336 -2.4058 -2.4058 -2.1608 -2.1608 -2.1222 -2.1222 -1.2270 -1.2270 -0.2869 -0.2869 -0.0665 -0.0665 1.3459 1.3459 1.9347 1.9347 2.8494 2.8494 3.3422 3.3422 3.8277 3.8277 3.8770 3.8770 7.8339 7.8339 7.9424 7.9424 8.4941 8.4941 9.5717 9.5717 9.7797 9.7797 10.1359 10.1359 k = 0.0000 0.0000 0.2717 ( 4880 PWs) bands (ev): -18.3275 -18.3275 -18.2649 -18.2649 -14.0374 -14.0374 -14.0348 -14.0348 -6.5692 -6.5692 -6.5524 -6.5524 -6.5441 -6.5441 -6.5388 -6.5388 -4.4984 -4.4984 -4.4446 -4.4446 -4.4155 -4.4155 -4.3642 -4.3642 -4.3175 -4.3175 -4.3033 -4.3033 -2.9294 -2.9294 -2.5442 -2.5442 -2.4106 -2.4106 -2.1560 -2.1560 -2.0959 -2.0959 -1.2227 -1.2227 -0.3222 -0.3222 -0.0749 -0.0749 1.3026 1.3026 1.9387 1.9387 2.9039 2.9039 3.3698 3.3698 3.8398 3.8398 3.8964 3.8964 7.7965 7.7965 7.8828 7.8828 8.4366 8.4366 9.6189 9.6189 9.7968 9.7968 10.1710 10.1710 k = 0.0000 0.0000 0.2898 ( 4882 PWs) bands (ev): -18.3266 -18.3266 -18.2658 -18.2658 -14.0378 -14.0378 -14.0348 -14.0348 -6.5693 -6.5693 -6.5522 -6.5522 -6.5436 -6.5436 -6.5386 -6.5386 -4.4964 -4.4964 -4.4447 -4.4447 -4.4139 -4.4139 -4.3641 -4.3641 -4.3169 -4.3169 -4.3043 -4.3043 -2.9327 -2.9327 -2.5549 -2.5549 -2.4155 -2.4155 -2.1514 -2.1514 -2.0693 -2.0693 -1.2188 -1.2188 -0.3578 -0.3578 -0.0831 -0.0831 1.2604 1.2604 1.9423 1.9423 2.9604 2.9604 3.3981 3.3981 3.8031 3.8031 3.9640 3.9640 7.7426 7.7426 7.8375 7.8375 8.3765 8.3765 9.6704 9.6704 9.8163 9.8163 10.2093 10.2093 k = 0.0000 0.0000 0.3079 ( 4874 PWs) bands (ev): -18.3256 -18.3256 -18.2666 -18.2666 -14.0381 -14.0381 -14.0347 -14.0347 -6.5693 -6.5693 -6.5519 -6.5519 -6.5431 -6.5431 -6.5385 -6.5385 -4.4943 -4.4943 -4.4448 -4.4448 -4.4123 -4.4123 -4.3640 -4.3640 -4.3163 -4.3163 -4.3052 -4.3052 -2.9352 -2.9352 -2.5658 -2.5658 -2.4205 -2.4205 -2.1468 -2.1468 -2.0426 -2.0426 -1.2153 -1.2153 -0.3934 -0.3934 -0.0909 -0.0909 1.2197 1.2197 1.9455 1.9455 3.0184 3.0184 3.4269 3.4269 3.7666 3.7666 4.0308 4.0308 7.6762 7.6762 7.8033 7.8033 8.3145 8.3145 9.7244 9.7244 9.8385 9.8385 10.2506 10.2506 k = 0.0000 0.0000 0.3260 ( 4874 PWs) bands (ev): -18.3246 -18.3246 -18.2674 -18.2674 -14.0384 -14.0384 -14.0347 -14.0347 -6.5694 -6.5694 -6.5517 -6.5517 -6.5426 -6.5426 -6.5383 -6.5383 -4.4922 -4.4922 -4.4449 -4.4449 -4.4107 -4.4107 -4.3639 -4.3639 -4.3156 -4.3156 -4.3062 -4.3062 -2.9370 -2.9370 -2.5768 -2.5768 -2.4256 -2.4256 -2.1422 -2.1422 -2.0161 -2.0161 -1.2125 -1.2125 -0.4286 -0.4286 -0.0985 -0.0985 1.1806 1.1806 1.9484 1.9484 3.0777 3.0777 3.4560 3.4560 3.7307 3.7307 4.0963 4.0963 7.6044 7.6044 7.7735 7.7735 8.2513 8.2513 9.7785 9.7785 9.8650 9.8650 10.2947 10.2947 k = 0.0000 0.0000 0.3442 ( 4874 PWs) bands (ev): -18.3236 -18.3236 -18.2682 -18.2682 -14.0387 -14.0387 -14.0347 -14.0347 -6.5695 -6.5695 -6.5514 -6.5514 -6.5421 -6.5421 -6.5381 -6.5381 -4.4900 -4.4900 -4.4450 -4.4450 -4.4090 -4.4090 -4.3637 -4.3637 -4.3150 -4.3150 -4.3071 -4.3071 -2.9381 -2.9381 -2.5878 -2.5878 -2.4307 -2.4307 -2.1376 -2.1376 -1.9898 -1.9898 -1.2103 -1.2103 -0.4631 -0.4631 -0.1056 -0.1056 1.1431 1.1431 1.9508 1.9508 3.1377 3.1377 3.4849 3.4849 3.6961 3.6961 4.1601 4.1601 7.5309 7.5309 7.7454 7.7454 8.1875 8.1875 9.8276 9.8276 9.8998 9.8998 10.3410 10.3410 k = 0.0000 0.0000 0.3623 ( 4870 PWs) bands (ev): -18.3226 -18.3226 -18.2690 -18.2690 -14.0391 -14.0391 -14.0347 -14.0347 -6.5695 -6.5695 -6.5511 -6.5511 -6.5416 -6.5416 -6.5379 -6.5379 -4.4878 -4.4878 -4.4452 -4.4452 -4.4074 -4.4074 -4.3636 -4.3636 -4.3143 -4.3143 -4.3079 -4.3079 -2.9386 -2.9386 -2.5987 -2.5987 -2.4359 -2.4359 -2.1331 -2.1331 -1.9641 -1.9641 -1.2088 -1.2088 -0.4968 -0.4968 -0.1124 -0.1124 1.1074 1.1074 1.9529 1.9529 3.1981 3.1981 3.5129 3.5129 3.6636 3.6636 4.2219 4.2219 7.4571 7.4571 7.7180 7.7180 8.1239 8.1239 9.8663 9.8663 9.9475 9.9475 10.3886 10.3886 k = 0.0000 0.0000 0.3804 ( 4862 PWs) bands (ev): -18.3216 -18.3216 -18.2699 -18.2699 -14.0394 -14.0394 -14.0347 -14.0347 -6.5696 -6.5696 -6.5508 -6.5508 -6.5412 -6.5412 -6.5377 -6.5377 -4.4855 -4.4855 -4.4454 -4.4454 -4.4058 -4.4058 -4.3634 -4.3634 -4.3136 -4.3136 -4.3087 -4.3087 -2.9383 -2.9383 -2.6094 -2.6094 -2.4409 -2.4409 -2.1286 -2.1286 -1.9389 -1.9389 -1.2083 -1.2083 -0.5291 -0.5291 -0.1187 -0.1187 1.0736 1.0736 1.9547 1.9547 3.2580 3.2580 3.5383 3.5383 3.6354 3.6354 4.2813 4.2813 7.3838 7.3838 7.6913 7.6913 8.0609 8.0609 9.8964 9.8964 10.0054 10.0054 10.4355 10.4355 k = 0.0000 0.0000 0.3985 ( 4868 PWs) bands (ev): -18.3207 -18.3207 -18.2706 -18.2706 -14.0397 -14.0397 -14.0347 -14.0347 -6.5696 -6.5696 -6.5505 -6.5505 -6.5408 -6.5408 -6.5375 -6.5375 -4.4832 -4.4832 -4.4456 -4.4456 -4.4042 -4.4042 -4.3633 -4.3633 -4.3131 -4.3131 -4.3093 -4.3093 -2.9376 -2.9376 -2.6199 -2.6199 -2.4459 -2.4459 -2.1242 -2.1242 -1.9144 -1.9144 -1.2086 -1.2086 -0.5600 -0.5600 -0.1245 -0.1245 1.0417 1.0417 1.9560 1.9560 3.3164 3.3164 3.5546 3.5546 3.6186 3.6186 4.3382 4.3382 7.3116 7.3116 7.6652 7.6652 7.9990 7.9990 9.9226 9.9226 10.0680 10.0680 10.4774 10.4774 k = 0.0000 0.0000 0.4166 ( 4868 PWs) bands (ev): -18.3197 -18.3197 -18.2714 -18.2714 -14.0401 -14.0401 -14.0347 -14.0347 -6.5697 -6.5697 -6.5502 -6.5502 -6.5404 -6.5404 -6.5374 -6.5374 -4.4810 -4.4810 -4.4458 -4.4458 -4.4027 -4.4027 -4.3631 -4.3631 -4.3127 -4.3127 -4.3096 -4.3096 -2.9362 -2.9362 -2.6300 -2.6300 -2.4508 -2.4508 -2.1200 -2.1200 -1.8909 -1.8909 -1.2099 -1.2099 -0.5892 -0.5892 -0.1299 -0.1299 1.0119 1.0119 1.9571 1.9571 3.3710 3.3710 3.5517 3.5517 3.6251 3.6251 4.3923 4.3923 7.2408 7.2408 7.6401 7.6401 7.9388 7.9388 9.9470 9.9470 10.1323 10.1323 10.5054 10.5054 k = 0.0000 0.0000 0.4347 ( 4866 PWs) bands (ev): -18.3188 -18.3188 -18.2721 -18.2721 -14.0404 -14.0404 -14.0347 -14.0347 -6.5697 -6.5697 -6.5500 -6.5500 -6.5401 -6.5401 -6.5372 -6.5372 -4.4787 -4.4787 -4.4461 -4.4461 -4.4013 -4.4013 -4.3630 -4.3630 -4.3127 -4.3127 -4.3095 -4.3095 -2.9345 -2.9345 -2.6397 -2.6397 -2.4555 -2.4555 -2.1159 -2.1159 -1.8683 -1.8683 -1.2121 -1.2121 -0.6164 -0.6164 -0.1348 -0.1348 0.9841 0.9841 1.9579 1.9579 3.4155 3.4155 3.5443 3.5443 3.6461 3.6461 4.4434 4.4434 7.1721 7.1721 7.6159 7.6159 7.8808 7.8808 9.9705 9.9705 10.1968 10.1968 10.5123 10.5123 k = 0.0000 0.0000 0.4528 ( 4866 PWs) bands (ev): -18.3180 -18.3180 -18.2728 -18.2728 -14.0407 -14.0407 -14.0347 -14.0347 -6.5697 -6.5697 -6.5497 -6.5497 -6.5397 -6.5397 -6.5371 -6.5371 -4.4765 -4.4765 -4.4464 -4.4464 -4.3999 -4.3999 -4.3628 -4.3628 -4.3130 -4.3130 -4.3091 -4.3091 -2.9324 -2.9324 -2.6489 -2.6489 -2.4600 -2.4600 -2.1120 -2.1120 -1.8469 -1.8469 -1.2152 -1.2152 -0.6416 -0.6416 -0.1393 -0.1393 0.9584 0.9584 1.9585 1.9585 3.4365 3.4365 3.5563 3.5563 3.6704 3.6704 4.4912 4.4912 7.1057 7.1057 7.5931 7.5931 7.8255 7.8255 9.9930 9.9930 10.2606 10.2606 10.5047 10.5047 k = 0.0000 0.0000 0.4710 ( 4858 PWs) bands (ev): -18.3172 -18.3172 -18.2735 -18.2735 -14.0410 -14.0410 -14.0347 -14.0347 -6.5698 -6.5698 -6.5495 -6.5495 -6.5394 -6.5394 -6.5369 -6.5369 -4.4744 -4.4744 -4.4468 -4.4468 -4.3986 -4.3986 -4.3627 -4.3627 -4.3134 -4.3134 -4.3084 -4.3084 -2.9301 -2.9301 -2.6576 -2.6576 -2.4643 -2.4643 -2.1084 -2.1084 -1.8267 -1.8267 -1.2191 -1.2191 -0.6645 -0.6645 -0.1433 -0.1433 0.9348 0.9348 1.9589 1.9589 3.4317 3.4317 3.5925 3.5925 3.6951 3.6951 4.5355 4.5355 7.0422 7.0422 7.5716 7.5716 7.7733 7.7733 10.0145 10.0145 10.3224 10.3224 10.4920 10.4920 k = 0.0000 0.0000 0.4891 ( 4858 PWs) bands (ev): -18.3164 -18.3164 -18.2741 -18.2741 -14.0412 -14.0412 -14.0347 -14.0347 -6.5698 -6.5698 -6.5492 -6.5492 -6.5391 -6.5391 -6.5368 -6.5368 -4.4722 -4.4722 -4.4472 -4.4472 -4.3974 -4.3974 -4.3626 -4.3626 -4.3139 -4.3139 -4.3077 -4.3077 -2.9276 -2.9276 -2.6656 -2.6656 -2.4683 -2.4683 -2.1050 -2.1050 -1.8080 -1.8080 -1.2235 -1.2235 -0.6851 -0.6851 -0.1468 -0.1468 0.9134 0.9134 1.9591 1.9591 3.4162 3.4162 3.6380 3.6380 3.7190 3.7190 4.5761 4.5761 6.9821 6.9821 7.5518 7.5518 7.7245 7.7245 10.0350 10.0350 10.3807 10.3807 10.4795 10.4795 k = 0.0000 0.0000 0.5072 ( 4852 PWs) bands (ev): -18.3158 -18.3158 -18.2746 -18.2746 -14.0415 -14.0415 -14.0347 -14.0347 -6.5698 -6.5698 -6.5490 -6.5490 -6.5388 -6.5388 -6.5367 -6.5367 -4.4702 -4.4702 -4.4477 -4.4477 -4.3963 -4.3963 -4.3625 -4.3625 -4.3143 -4.3143 -4.3070 -4.3070 -2.9250 -2.9250 -2.6730 -2.6730 -2.4719 -2.4719 -2.1019 -2.1019 -1.7908 -1.7908 -1.2285 -1.2285 -0.7034 -0.7034 -0.1499 -0.1499 0.8942 0.8942 1.9592 1.9592 3.3985 3.3985 3.6840 3.6840 3.7421 3.7421 4.6130 4.6130 6.9258 6.9258 7.5337 7.5337 7.6797 7.6797 10.0543 10.0543 10.4280 10.4280 10.4755 10.4755 k = 0.0000 0.0000 0.5253 ( 4852 PWs) bands (ev): -18.3151 -18.3151 -18.2751 -18.2751 -14.0417 -14.0417 -14.0347 -14.0347 -6.5698 -6.5698 -6.5488 -6.5488 -6.5385 -6.5385 -6.5366 -6.5366 -4.4683 -4.4683 -4.4482 -4.4482 -4.3953 -4.3953 -4.3624 -4.3624 -4.3147 -4.3147 -4.3063 -4.3063 -2.9224 -2.9224 -2.6796 -2.6796 -2.4752 -2.4752 -2.0991 -2.0991 -1.7753 -1.7753 -1.2336 -1.2336 -0.7193 -0.7193 -0.1526 -0.1526 0.8772 0.8772 1.9591 1.9591 3.3811 3.3811 3.7263 3.7263 3.7651 3.7651 4.6458 4.6458 6.8741 6.8741 7.5176 7.5176 7.6392 7.6392 10.0719 10.0719 10.4383 10.4383 10.5061 10.5061 k = 0.0000 0.0000 0.5434 ( 4842 PWs) bands (ev): -18.3146 -18.3146 -18.2756 -18.2756 -14.0419 -14.0419 -14.0347 -14.0347 -6.5698 -6.5698 -6.5487 -6.5487 -6.5382 -6.5382 -6.5366 -6.5366 -4.4665 -4.4665 -4.4487 -4.4487 -4.3944 -4.3944 -4.3624 -4.3624 -4.3151 -4.3151 -4.3057 -4.3057 -2.9199 -2.9199 -2.6855 -2.6855 -2.4781 -2.4781 -2.0966 -2.0966 -1.7615 -1.7615 -1.2388 -1.2388 -0.7330 -0.7330 -0.1549 -0.1549 0.8625 0.8625 1.9591 1.9591 3.3652 3.3652 3.7603 3.7603 3.7905 3.7905 4.6746 4.6746 6.8275 6.8275 7.5035 7.5035 7.6032 7.6032 10.0878 10.0878 10.4309 10.4309 10.5515 10.5515 k = 0.0000 0.0000 0.5615 ( 4838 PWs) bands (ev): -18.3141 -18.3141 -18.2760 -18.2760 -14.0421 -14.0421 -14.0347 -14.0347 -6.5698 -6.5698 -6.5485 -6.5485 -6.5380 -6.5380 -6.5366 -6.5366 -4.4648 -4.4648 -4.4493 -4.4493 -4.3936 -4.3936 -4.3623 -4.3623 -4.3154 -4.3154 -4.3051 -4.3051 -2.9177 -2.9177 -2.6905 -2.6905 -2.4806 -2.4806 -2.0945 -2.0945 -1.7497 -1.7497 -1.2437 -1.2437 -0.7444 -0.7444 -0.1568 -0.1568 0.8500 0.8500 1.9589 1.9589 3.3513 3.3513 3.7832 3.7832 3.8201 3.8201 4.6992 4.6992 6.7867 6.7867 7.4916 7.4916 7.5720 7.5720 10.1017 10.1017 10.4224 10.4224 10.5941 10.5941 k = 0.0000 0.0000 0.5796 ( 4838 PWs) bands (ev): -18.3138 -18.3138 -18.2763 -18.2763 -14.0422 -14.0422 -14.0347 -14.0347 -6.5698 -6.5698 -6.5484 -6.5484 -6.5377 -6.5377 -6.5366 -6.5366 -4.4633 -4.4633 -4.4498 -4.4498 -4.3929 -4.3929 -4.3623 -4.3623 -4.3157 -4.3157 -4.3047 -4.3047 -2.9157 -2.9157 -2.6947 -2.6947 -2.4827 -2.4827 -2.0927 -2.0927 -1.7398 -1.7398 -1.2480 -1.2480 -0.7536 -0.7536 -0.1583 -0.1583 0.8397 0.8397 1.9588 1.9588 3.3396 3.3396 3.7989 3.7989 3.8487 3.8487 4.7194 4.7194 6.7522 6.7522 7.4820 7.4820 7.5459 7.5459 10.1134 10.1134 10.4149 10.4149 10.6312 10.6312 k = 0.0000 0.0000 0.5978 ( 4832 PWs) bands (ev): -18.3134 -18.3134 -18.2765 -18.2765 -14.0423 -14.0423 -14.0347 -14.0347 -6.5698 -6.5698 -6.5483 -6.5483 -6.5375 -6.5375 -6.5366 -6.5366 -4.4620 -4.4620 -4.4504 -4.4504 -4.3924 -4.3924 -4.3623 -4.3623 -4.3159 -4.3159 -4.3043 -4.3043 -2.9141 -2.9141 -2.6979 -2.6979 -2.4844 -2.4844 -2.0913 -2.0913 -1.7321 -1.7321 -1.2517 -1.2517 -0.7607 -0.7607 -0.1595 -0.1595 0.8318 0.8318 1.9587 1.9587 3.3304 3.3304 3.8103 3.8103 3.8728 3.8728 4.7352 4.7352 6.7247 6.7247 7.4748 7.4748 7.5251 7.5251 10.1227 10.1227 10.4090 10.4090 10.6613 10.6613 k = 0.0000 0.0000 0.6159 ( 4824 PWs) bands (ev): -18.3132 -18.3132 -18.2767 -18.2767 -14.0424 -14.0424 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5373 -6.5373 -6.5367 -6.5367 -4.4610 -4.4610 -4.4509 -4.4509 -4.3920 -4.3920 -4.3623 -4.3623 -4.3160 -4.3160 -4.3040 -4.3040 -2.9129 -2.9129 -2.7003 -2.7003 -2.4856 -2.4856 -2.0903 -2.0903 -1.7265 -1.7265 -1.2544 -1.2544 -0.7657 -0.7657 -0.1603 -0.1603 0.8261 0.8261 1.9586 1.9586 3.3238 3.3238 3.8183 3.8183 3.8907 3.8907 4.7466 4.7466 6.7046 6.7046 7.4700 7.4700 7.5097 7.5097 10.1295 10.1295 10.4047 10.4047 10.6835 10.6835 k = 0.0000 0.0000 0.6340 ( 4836 PWs) bands (ev): -18.3131 -18.3131 -18.2768 -18.2768 -14.0424 -14.0424 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5372 -6.5372 -6.5368 -6.5368 -4.4603 -4.4603 -4.4513 -4.4513 -4.3918 -4.3918 -4.3623 -4.3623 -4.3161 -4.3161 -4.3038 -4.3038 -2.9122 -2.9122 -2.7017 -2.7017 -2.4863 -2.4863 -2.0898 -2.0898 -1.7231 -1.7231 -1.2561 -1.2561 -0.7687 -0.7687 -0.1608 -0.1608 0.8226 0.8226 1.9585 1.9585 3.3198 3.3198 3.8231 3.8231 3.9017 3.9017 4.7535 4.7535 6.6924 6.6924 7.4674 7.4674 7.5002 7.5002 10.1336 10.1336 10.4021 10.4021 10.6971 10.6971 k = 0.0000 0.0000 0.6521 ( 4850 PWs) bands (ev): -18.3131 -18.3131 -18.2768 -18.2768 -14.0425 -14.0425 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5371 -6.5371 -6.5369 -6.5369 -4.4601 -4.4601 -4.4514 -4.4514 -4.3918 -4.3918 -4.3623 -4.3623 -4.3162 -4.3162 -4.3037 -4.3037 -2.9120 -2.9120 -2.7022 -2.7022 -2.4865 -2.4865 -2.0896 -2.0896 -1.7220 -1.7220 -1.2567 -1.2567 -0.7697 -0.7697 -0.1610 -0.1610 0.8215 0.8215 1.9585 1.9585 3.3184 3.3184 3.8247 3.8247 3.9053 3.9053 4.7557 4.7557 6.6883 6.6883 7.4665 7.4665 7.4969 7.4969 10.1350 10.1350 10.4012 10.4012 10.7017 10.7017 k = 0.0000 0.0000 0.6521 ( 4850 PWs) bands (ev): -18.3131 -18.3131 -18.2768 -18.2768 -14.0425 -14.0425 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5371 -6.5371 -6.5369 -6.5369 -4.4601 -4.4601 -4.4514 -4.4514 -4.3918 -4.3918 -4.3623 -4.3623 -4.3162 -4.3162 -4.3037 -4.3037 -2.9120 -2.9120 -2.7022 -2.7022 -2.4865 -2.4865 -2.0896 -2.0896 -1.7220 -1.7220 -1.2567 -1.2567 -0.7697 -0.7697 -0.1610 -0.1610 0.8215 0.8215 1.9585 1.9585 3.3184 3.3184 3.8247 3.8247 3.9053 3.9053 4.7557 4.7557 6.6883 6.6883 7.4665 7.4665 7.4969 7.4969 10.1350 10.1350 10.4012 10.4012 10.7017 10.7017 k =-0.0137 0.0115 0.6521 ( 4840 PWs) bands (ev): -18.3130 -18.3130 -18.2769 -18.2769 -14.0424 -14.0424 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5372 -6.5372 -6.5368 -6.5368 -4.4601 -4.4601 -4.4513 -4.4513 -4.3917 -4.3917 -4.3623 -4.3623 -4.3162 -4.3162 -4.3038 -4.3038 -2.9113 -2.9113 -2.7028 -2.7028 -2.4876 -2.4876 -2.0896 -2.0896 -1.7198 -1.7198 -1.2573 -1.2573 -0.7696 -0.7696 -0.1620 -0.1620 0.8228 0.8228 1.9515 1.9515 3.3252 3.3252 3.8247 3.8247 3.9060 3.9060 4.7534 4.7534 6.6903 6.6903 7.4675 7.4675 7.5008 7.5008 10.1346 10.1346 10.4007 10.4007 10.7007 10.7007 k =-0.0274 0.0230 0.6521 ( 4840 PWs) bands (ev): -18.3129 -18.3129 -18.2770 -18.2770 -14.0424 -14.0424 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5373 -6.5373 -6.5366 -6.5366 -4.4600 -4.4600 -4.4512 -4.4512 -4.3914 -4.3914 -4.3624 -4.3624 -4.3161 -4.3161 -4.3041 -4.3041 -2.9093 -2.9093 -2.7045 -2.7045 -2.4909 -2.4909 -2.0896 -2.0896 -1.7134 -1.7134 -1.2591 -1.2591 -0.7693 -0.7693 -0.1651 -0.1651 0.8267 0.8267 1.9309 1.9309 3.3452 3.3452 3.8248 3.8248 3.9078 3.9078 4.7463 4.7463 6.6961 6.6961 7.4711 7.4711 7.5120 7.5120 10.1336 10.1336 10.3990 10.3990 10.6976 10.6976 k =-0.0412 0.0345 0.6521 ( 4824 PWs) bands (ev): -18.3127 -18.3127 -18.2771 -18.2771 -14.0424 -14.0424 -14.0347 -14.0347 -6.5698 -6.5698 -6.5482 -6.5482 -6.5373 -6.5373 -6.5363 -6.5363 -4.4600 -4.4600 -4.4509 -4.4509 -4.3910 -4.3910 -4.3625 -4.3625 -4.3160 -4.3160 -4.3046 -4.3046 -2.9060 -2.9060 -2.7073 -2.7073 -2.4960 -2.4960 -2.0896 -2.0896 -1.7028 -1.7028 -1.2621 -1.2621 -0.7688 -0.7688 -0.1701 -0.1701 0.8333 0.8333 1.8980 1.8980 3.3770 3.3770 3.8249 3.8249 3.9108 3.9108 4.7348 4.7348 6.7057 6.7057 7.4782 7.4782 7.5294 7.5294 10.1318 10.1318 10.3963 10.3963 10.6925 10.6925 k =-0.0549 0.0459 0.6521 ( 4828 PWs) bands (ev): -18.3125 -18.3125 -18.2774 -18.2774 -14.0423 -14.0423 -14.0347 -14.0347 -6.5698 -6.5698 -6.5482 -6.5482 -6.5374 -6.5374 -6.5361 -6.5361 -4.4599 -4.4599 -4.4506 -4.4506 -4.3904 -4.3904 -4.3626 -4.3626 -4.3159 -4.3159 -4.3053 -4.3053 -2.9013 -2.9013 -2.7112 -2.7112 -2.5029 -2.5029 -2.0896 -2.0896 -1.6885 -1.6885 -1.2663 -1.2663 -0.7681 -0.7681 -0.1770 -0.1770 0.8423 0.8423 1.8542 1.8542 3.4191 3.4191 3.8250 3.8250 3.9151 3.9151 4.7189 4.7189 6.7188 6.7188 7.4893 7.4893 7.5525 7.5525 10.1293 10.1293 10.3923 10.3923 10.6854 10.6854 k =-0.0686 0.0574 0.6521 ( 4836 PWs) bands (ev): -18.3122 -18.3122 -18.2777 -18.2777 -14.0423 -14.0423 -14.0348 -14.0348 -6.5698 -6.5698 -6.5483 -6.5483 -6.5374 -6.5374 -6.5358 -6.5358 -4.4597 -4.4597 -4.4501 -4.4501 -4.3897 -4.3897 -4.3628 -4.3628 -4.3157 -4.3157 -4.3061 -4.3061 -2.8954 -2.8954 -2.7162 -2.7162 -2.5112 -2.5112 -2.0896 -2.0896 -1.6709 -1.6709 -1.2716 -1.2716 -0.7671 -0.7671 -0.1857 -0.1857 0.8538 0.8538 1.8015 1.8015 3.4697 3.4697 3.8253 3.8253 3.9206 3.9206 4.6991 4.6991 6.7349 6.7349 7.5048 7.5048 7.5808 7.5808 10.1261 10.1261 10.3869 10.3869 10.6764 10.6764 k =-0.0823 0.0689 0.6521 ( 4838 PWs) bands (ev): -18.3118 -18.3118 -18.2780 -18.2780 -14.0422 -14.0422 -14.0348 -14.0348 -6.5698 -6.5698 -6.5483 -6.5483 -6.5374 -6.5374 -6.5354 -6.5354 -4.4596 -4.4596 -4.4496 -4.4496 -4.3888 -4.3888 -4.3630 -4.3630 -4.3156 -4.3156 -4.3072 -4.3072 -2.8882 -2.8882 -2.7221 -2.7221 -2.5204 -2.5204 -2.0896 -2.0896 -1.6504 -1.6504 -1.2782 -1.2782 -0.7660 -0.7660 -0.1961 -0.1961 0.8677 0.8677 1.7415 1.7415 3.5267 3.5267 3.8256 3.8256 3.9276 3.9276 4.6758 4.6758 6.7538 6.7538 7.5244 7.5244 7.6145 7.6145 10.1224 10.1224 10.3800 10.3800 10.6655 10.6655 k =-0.0960 0.0804 0.6521 ( 4842 PWs) bands (ev): -18.3114 -18.3114 -18.2785 -18.2785 -14.0421 -14.0421 -14.0349 -14.0349 -6.5698 -6.5698 -6.5484 -6.5484 -6.5374 -6.5374 -6.5351 -6.5351 -4.4594 -4.4594 -4.4491 -4.4491 -4.3878 -4.3878 -4.3632 -4.3632 -4.3153 -4.3153 -4.3084 -4.3084 -2.8797 -2.8797 -2.7290 -2.7290 -2.5303 -2.5303 -2.0896 -2.0896 -1.6274 -1.6274 -1.2859 -1.2859 -0.7645 -0.7645 -0.2079 -0.2079 0.8839 0.8839 1.6757 1.6757 3.5885 3.5885 3.8261 3.8261 3.9361 3.9361 4.6491 4.6491 6.7750 6.7750 7.5481 7.5481 7.6533 7.6533 10.1180 10.1180 10.3713 10.3713 10.6526 10.6526 k =-0.1097 0.0919 0.6521 ( 4830 PWs) bands (ev): -18.3109 -18.3109 -18.2789 -18.2789 -14.0420 -14.0420 -14.0350 -14.0350 -6.5697 -6.5697 -6.5484 -6.5484 -6.5374 -6.5374 -6.5347 -6.5347 -4.4591 -4.4591 -4.4484 -4.4484 -4.3867 -4.3867 -4.3634 -4.3634 -4.3151 -4.3151 -4.3097 -4.3097 -2.8701 -2.8701 -2.7366 -2.7366 -2.5404 -2.5404 -2.0896 -2.0896 -1.6026 -1.6026 -1.2948 -1.2948 -0.7628 -0.7628 -0.2209 -0.2209 0.9022 0.9022 1.6055 1.6055 3.6531 3.6531 3.8270 3.8270 3.9466 3.9466 4.6198 4.6198 6.7982 6.7982 7.5755 7.5755 7.6974 7.6974 10.1131 10.1131 10.3604 10.3604 10.6374 10.6374 k =-0.1235 0.1034 0.6521 ( 4834 PWs) bands (ev): -18.3103 -18.3103 -18.2795 -18.2795 -14.0418 -14.0418 -14.0351 -14.0351 -6.5697 -6.5697 -6.5485 -6.5485 -6.5373 -6.5373 -6.5343 -6.5343 -4.4588 -4.4588 -4.4477 -4.4477 -4.3855 -4.3855 -4.3637 -4.3637 -4.3149 -4.3149 -4.3112 -4.3112 -2.8592 -2.8592 -2.7451 -2.7451 -2.5504 -2.5504 -2.0896 -2.0896 -1.5764 -1.5764 -1.3048 -1.3048 -0.7608 -0.7608 -0.2349 -0.2349 0.9226 0.9226 1.5318 1.5318 3.7182 3.7182 3.8290 3.8290 3.9596 3.9596 4.5880 4.5880 6.8230 6.8230 7.6063 7.6063 7.7467 7.7467 10.1078 10.1078 10.3464 10.3464 10.6192 10.6192 k =-0.1372 0.1148 0.6521 ( 4840 PWs) bands (ev): -18.3097 -18.3097 -18.2800 -18.2800 -14.0417 -14.0417 -14.0352 -14.0352 -6.5696 -6.5696 -6.5486 -6.5486 -6.5372 -6.5372 -6.5338 -6.5338 -4.4585 -4.4585 -4.4470 -4.4470 -4.3842 -4.3842 -4.3639 -4.3639 -4.3147 -4.3147 -4.3126 -4.3126 -2.8472 -2.8472 -2.7543 -2.7543 -2.5601 -2.5601 -2.0896 -2.0896 -1.5494 -1.5494 -1.3160 -1.3160 -0.7584 -0.7584 -0.2497 -0.2497 0.9449 0.9449 1.4556 1.4556 3.7779 3.7779 3.8351 3.8351 3.9768 3.9768 4.5542 4.5542 6.8493 6.8493 7.6400 7.6400 7.8010 7.8010 10.1021 10.1021 10.3283 10.3283 10.5963 10.5963 k =-0.1509 0.1263 0.6521 ( 4836 PWs) bands (ev): -18.3091 -18.3091 -18.2807 -18.2807 -14.0415 -14.0415 -14.0353 -14.0353 -6.5696 -6.5696 -6.5487 -6.5487 -6.5372 -6.5372 -6.5333 -6.5333 -4.4582 -4.4582 -4.4462 -4.4462 -4.3828 -4.3828 -4.3641 -4.3641 -4.3153 -4.3153 -4.3135 -4.3135 -2.8341 -2.8341 -2.7640 -2.7640 -2.5691 -2.5691 -2.0895 -2.0895 -1.5220 -1.5220 -1.3281 -1.3281 -0.7557 -0.7557 -0.2648 -0.2648 0.9688 0.9688 1.3774 1.3774 3.8114 3.8114 3.8624 3.8624 4.0017 4.0017 4.5188 4.5188 6.8767 6.8767 7.6764 7.6764 7.8603 7.8603 10.0959 10.0959 10.3043 10.3043 10.5666 10.5666 k =-0.1646 0.1378 0.6521 ( 4826 PWs) bands (ev): -18.3083 -18.3083 -18.2813 -18.2813 -14.0414 -14.0414 -14.0354 -14.0354 -6.5695 -6.5695 -6.5488 -6.5488 -6.5370 -6.5370 -6.5328 -6.5328 -4.4578 -4.4578 -4.4454 -4.4454 -4.3814 -4.3814 -4.3643 -4.3643 -4.3169 -4.3169 -4.3133 -4.3133 -2.8201 -2.8201 -2.7741 -2.7741 -2.5773 -2.5773 -2.0895 -2.0895 -1.4947 -1.4947 -1.3413 -1.3413 -0.7526 -0.7526 -0.2801 -0.2801 0.9944 0.9944 1.2980 1.2980 3.8186 3.8186 3.9046 3.9046 4.0396 4.0396 4.4821 4.4821 6.9052 6.9052 7.7151 7.7151 7.9244 7.9244 10.0896 10.0896 10.2717 10.2717 10.5296 10.5296 k =-0.1783 0.1493 0.6521 ( 4842 PWs) bands (ev): -18.3076 -18.3076 -18.2820 -18.2820 -14.0412 -14.0412 -14.0355 -14.0355 -6.5695 -6.5695 -6.5490 -6.5490 -6.5369 -6.5369 -6.5323 -6.5323 -4.4574 -4.4574 -4.4447 -4.4447 -4.3800 -4.3800 -4.3645 -4.3645 -4.3189 -4.3189 -4.3129 -4.3129 -2.8053 -2.8053 -2.7844 -2.7844 -2.5845 -2.5845 -2.0895 -2.0895 -1.4684 -1.4684 -1.3551 -1.3551 -0.7491 -0.7491 -0.2951 -0.2951 1.0213 1.0213 1.2177 1.2177 3.8207 3.8207 3.9375 3.9375 4.0933 4.0933 4.4445 4.4445 6.9345 6.9345 7.7555 7.7555 7.9931 7.9931 10.0830 10.0830 10.2280 10.2280 10.4903 10.4903 k =-0.1921 0.1608 0.6521 ( 4846 PWs) bands (ev): -18.3069 -18.3069 -18.2827 -18.2827 -14.0410 -14.0410 -14.0356 -14.0356 -6.5694 -6.5694 -6.5491 -6.5491 -6.5368 -6.5368 -6.5318 -6.5318 -4.4569 -4.4569 -4.4439 -4.4439 -4.3786 -4.3786 -4.3646 -4.3646 -4.3209 -4.3209 -4.3124 -4.3124 -2.7976 -2.7976 -2.7871 -2.7871 -2.5905 -2.5905 -2.0894 -2.0894 -1.4442 -1.4442 -1.3687 -1.3687 -0.7451 -0.7451 -0.3095 -0.3095 1.0494 1.0494 1.1370 1.1370 3.8216 3.8216 3.9612 3.9612 4.1580 4.1580 4.4062 4.4062 6.9646 6.9646 7.7973 7.7973 8.0659 8.0659 10.0761 10.0761 10.1722 10.1722 10.4547 10.4547 k =-0.2058 0.1723 0.6521 ( 4850 PWs) bands (ev): -18.3061 -18.3061 -18.2835 -18.2835 -14.0409 -14.0409 -14.0357 -14.0357 -6.5694 -6.5694 -6.5493 -6.5493 -6.5367 -6.5367 -6.5313 -6.5313 -4.4564 -4.4564 -4.4431 -4.4431 -4.3772 -4.3772 -4.3647 -4.3647 -4.3231 -4.3231 -4.3119 -4.3119 -2.8077 -2.8077 -2.7714 -2.7714 -2.5952 -2.5952 -2.0893 -2.0893 -1.4261 -1.4261 -1.3787 -1.3787 -0.7405 -0.7405 -0.3229 -0.3229 1.0561 1.0561 1.0785 1.0785 3.8220 3.8220 3.9801 3.9801 4.2283 4.2283 4.3675 4.3675 6.9954 6.9954 7.8401 7.8401 8.1425 8.1425 10.0688 10.0688 10.1063 10.1063 10.4252 10.4252 k =-0.2195 0.1838 0.6521 ( 4850 PWs) bands (ev): -18.3053 -18.3053 -18.2842 -18.2842 -14.0407 -14.0407 -14.0359 -14.0359 -6.5693 -6.5693 -6.5494 -6.5494 -6.5366 -6.5366 -6.5308 -6.5308 -4.4559 -4.4559 -4.4424 -4.4424 -4.3759 -4.3759 -4.3647 -4.3647 -4.3254 -4.3254 -4.3113 -4.3113 -2.8188 -2.8188 -2.7539 -2.7539 -2.5984 -2.5984 -2.0892 -2.0892 -1.4245 -1.4245 -1.3748 -1.3748 -0.7354 -0.7354 -0.3351 -0.3351 0.9754 0.9754 1.1084 1.1084 3.8223 3.8223 3.9966 3.9966 4.3010 4.3010 4.3289 4.3289 7.0268 7.0268 7.8836 7.8836 8.2226 8.2226 10.0306 10.0306 10.0639 10.0639 10.4009 10.4009 k =-0.2332 0.1952 0.6521 ( 4846 PWs) bands (ev): -18.3044 -18.3044 -18.2850 -18.2850 -14.0405 -14.0405 -14.0360 -14.0360 -6.5692 -6.5692 -6.5496 -6.5496 -6.5364 -6.5364 -6.5302 -6.5302 -4.4554 -4.4554 -4.4417 -4.4417 -4.3746 -4.3746 -4.3646 -4.3646 -4.3277 -4.3277 -4.3106 -4.3106 -2.8301 -2.8301 -2.7357 -2.7357 -2.6001 -2.6001 -2.0890 -2.0890 -1.4379 -1.4379 -1.3589 -1.3589 -0.7296 -0.7296 -0.3456 -0.3456 0.8952 0.8952 1.1390 1.1390 3.8224 3.8224 4.0120 4.0120 4.2900 4.2900 4.3748 4.3748 7.0587 7.0587 7.9272 7.9272 8.3056 8.3056 9.9530 9.9530 10.0566 10.0566 10.3803 10.3803 k =-0.2469 0.2067 0.6521 ( 4842 PWs) bands (ev): -18.3036 -18.3036 -18.2858 -18.2858 -14.0403 -14.0403 -14.0361 -14.0361 -6.5691 -6.5691 -6.5498 -6.5498 -6.5363 -6.5363 -6.5297 -6.5297 -4.4548 -4.4548 -4.4410 -4.4410 -4.3734 -4.3734 -4.3644 -4.3644 -4.3300 -4.3300 -4.3100 -4.3100 -2.8414 -2.8414 -2.7170 -2.7170 -2.6003 -2.6003 -2.0889 -2.0889 -1.4565 -1.4565 -1.3410 -1.3410 -0.7231 -0.7231 -0.3542 -0.3542 0.8157 0.8157 1.1700 1.1700 3.8224 3.8224 4.0267 4.0267 4.2517 4.2517 4.4483 4.4483 7.0911 7.0911 7.9704 7.9704 8.3912 8.3912 9.8730 9.8730 10.0500 10.0500 10.3621 10.3621 k =-0.2606 0.2182 0.6521 ( 4852 PWs) bands (ev): -18.3028 -18.3028 -18.2866 -18.2866 -14.0401 -14.0401 -14.0363 -14.0363 -6.5691 -6.5691 -6.5500 -6.5500 -6.5362 -6.5362 -6.5292 -6.5292 -4.4542 -4.4542 -4.4404 -4.4404 -4.3723 -4.3723 -4.3642 -4.3642 -4.3323 -4.3323 -4.3092 -4.3092 -2.8525 -2.8525 -2.6979 -2.6979 -2.5990 -2.5990 -2.0887 -2.0887 -1.4774 -1.4774 -1.3243 -1.3243 -0.7159 -0.7159 -0.3608 -0.3608 0.7370 0.7370 1.2011 1.2011 3.8224 3.8224 4.0410 4.0410 4.2139 4.2139 4.5212 4.5212 7.1237 7.1237 8.0129 8.0129 8.4788 8.4788 9.7929 9.7929 10.0438 10.0438 10.3455 10.3455 k =-0.2744 0.2297 0.6521 ( 4848 PWs) bands (ev): -18.3019 -18.3019 -18.2874 -18.2874 -14.0399 -14.0399 -14.0364 -14.0364 -6.5690 -6.5690 -6.5501 -6.5501 -6.5360 -6.5360 -6.5286 -6.5286 -4.4536 -4.4536 -4.4399 -4.4399 -4.3713 -4.3713 -4.3638 -4.3638 -4.3346 -4.3346 -4.3085 -4.3085 -2.8635 -2.8635 -2.6785 -2.6785 -2.5960 -2.5960 -2.0886 -2.0886 -1.4998 -1.4998 -1.3095 -1.3095 -0.7077 -0.7077 -0.3652 -0.3652 0.6594 0.6594 1.2323 1.2323 3.8223 3.8223 4.0550 4.0550 4.1768 4.1768 4.5930 4.5930 7.1566 7.1566 8.0540 8.0540 8.5679 8.5679 9.7142 9.7142 10.0381 10.0381 10.3298 10.3298 k =-0.2881 0.2412 0.6521 ( 4846 PWs) bands (ev): -18.3011 -18.3011 -18.2881 -18.2881 -14.0397 -14.0397 -14.0366 -14.0366 -6.5689 -6.5689 -6.5503 -6.5503 -6.5359 -6.5359 -6.5281 -6.5281 -4.4530 -4.4530 -4.4394 -4.4394 -4.3705 -4.3705 -4.3634 -4.3634 -4.3369 -4.3369 -4.3077 -4.3077 -2.8741 -2.8741 -2.6589 -2.6589 -2.5913 -2.5913 -2.0885 -2.0885 -1.5234 -1.5234 -1.2969 -1.2969 -0.6986 -0.6986 -0.3672 -0.3672 0.5830 0.5830 1.2632 1.2632 3.8221 3.8221 4.0686 4.0686 4.1407 4.1407 4.6633 4.6633 7.1895 7.1895 8.0930 8.0930 8.6579 8.6579 9.6380 9.6380 10.0330 10.0330 10.3148 10.3148 k =-0.3018 0.2527 0.6521 ( 4836 PWs) bands (ev): -18.3003 -18.3003 -18.2889 -18.2889 -14.0395 -14.0395 -14.0367 -14.0367 -6.5688 -6.5688 -6.5505 -6.5505 -6.5358 -6.5358 -6.5276 -6.5276 -4.4524 -4.4524 -4.4390 -4.4390 -4.3697 -4.3697 -4.3630 -4.3630 -4.3392 -4.3392 -4.3069 -4.3069 -2.8844 -2.8844 -2.6395 -2.6395 -2.5851 -2.5851 -2.0883 -2.0883 -1.5480 -1.5480 -1.2866 -1.2866 -0.6885 -0.6885 -0.3671 -0.3671 0.5081 0.5081 1.2937 1.2937 3.8219 3.8219 4.0815 4.0815 4.1061 4.1061 4.7318 4.7318 7.2222 7.2222 8.1295 8.1295 8.7481 8.7481 9.5655 9.5655 10.0286 10.0286 10.3001 10.3001 k =-0.3155 0.2642 0.6521 ( 4846 PWs) bands (ev): -18.2995 -18.2995 -18.2896 -18.2896 -14.0394 -14.0394 -14.0369 -14.0369 -6.5687 -6.5687 -6.5507 -6.5507 -6.5357 -6.5357 -6.5271 -6.5271 -4.4518 -4.4518 -4.4386 -4.4386 -4.3690 -4.3690 -4.3625 -4.3625 -4.3414 -4.3414 -4.3061 -4.3061 -2.8943 -2.8943 -2.6204 -2.6204 -2.5773 -2.5773 -2.0881 -2.0881 -1.5733 -1.5733 -1.2785 -1.2785 -0.6772 -0.6772 -0.3650 -0.3650 0.4347 0.4347 1.3236 1.3236 3.8216 3.8216 4.0711 4.0711 4.0956 4.0956 4.7982 4.7982 7.2547 7.2547 8.1626 8.1626 8.8379 8.8379 9.4975 9.4975 10.0252 10.0252 10.2855 10.2855 k =-0.3292 0.2756 0.6521 ( 4848 PWs) bands (ev): -18.2988 -18.2988 -18.2903 -18.2903 -14.0392 -14.0392 -14.0370 -14.0370 -6.5686 -6.5686 -6.5509 -6.5509 -6.5356 -6.5356 -6.5267 -6.5267 -4.4511 -4.4511 -4.4384 -4.4384 -4.3683 -4.3683 -4.3621 -4.3621 -4.3435 -4.3435 -4.3052 -4.3052 -2.9037 -2.9037 -2.6020 -2.6020 -2.5678 -2.5678 -2.0880 -2.0880 -1.5993 -1.5993 -1.2724 -1.2724 -0.6646 -0.6646 -0.3610 -0.3610 0.3631 0.3631 1.3525 1.3525 3.8212 3.8212 4.0393 4.0393 4.1076 4.1076 4.8621 4.8621 7.2866 7.2866 8.1917 8.1917 8.9264 8.9264 9.4350 9.4350 10.0231 10.0231 10.2709 10.2709 k =-0.3430 0.2871 0.6521 ( 4844 PWs) bands (ev): -18.2981 -18.2981 -18.2910 -18.2910 -14.0391 -14.0391 -14.0371 -14.0371 -6.5685 -6.5685 -6.5511 -6.5511 -6.5355 -6.5355 -6.5262 -6.5262 -4.4505 -4.4505 -4.4382 -4.4382 -4.3677 -4.3677 -4.3616 -4.3616 -4.3455 -4.3455 -4.3044 -4.3044 -2.9126 -2.9126 -2.5844 -2.5844 -2.5568 -2.5568 -2.0878 -2.0878 -1.6256 -1.6256 -1.2681 -1.2681 -0.6507 -0.6507 -0.3555 -0.3555 0.2934 0.2934 1.3804 1.3804 3.8208 3.8208 4.0087 4.0087 4.1194 4.1194 4.9232 4.9232 7.3177 7.3177 8.2163 8.2163 9.0127 9.0127 9.3787 9.3787 10.0226 10.0226 10.2560 10.2560 k =-0.3567 0.2986 0.6521 ( 4840 PWs) bands (ev): -18.2974 -18.2974 -18.2916 -18.2916 -14.0389 -14.0389 -14.0372 -14.0372 -6.5684 -6.5684 -6.5513 -6.5513 -6.5354 -6.5354 -6.5258 -6.5258 -4.4498 -4.4498 -4.4381 -4.4381 -4.3671 -4.3671 -4.3613 -4.3613 -4.3474 -4.3474 -4.3036 -4.3036 -2.9209 -2.9209 -2.5680 -2.5680 -2.5442 -2.5442 -2.0876 -2.0876 -1.6520 -1.6520 -1.2653 -1.2653 -0.6353 -0.6353 -0.3489 -0.3489 0.2257 0.2257 1.4069 1.4069 3.8203 3.8203 3.9800 3.9800 4.1305 4.1305 4.9812 4.9812 7.3479 7.3479 8.2357 8.2357 9.0954 9.0954 9.3296 9.3296 10.0240 10.0240 10.2409 10.2409 k =-0.3567 0.2986 0.6521 ( 4840 PWs) bands (ev): -18.2974 -18.2974 -18.2916 -18.2916 -14.0389 -14.0389 -14.0372 -14.0372 -6.5684 -6.5684 -6.5513 -6.5513 -6.5354 -6.5354 -6.5258 -6.5258 -4.4498 -4.4498 -4.4381 -4.4381 -4.3671 -4.3671 -4.3613 -4.3613 -4.3474 -4.3474 -4.3036 -4.3036 -2.9209 -2.9209 -2.5680 -2.5680 -2.5442 -2.5442 -2.0876 -2.0876 -1.6520 -1.6520 -1.2653 -1.2653 -0.6353 -0.6353 -0.3489 -0.3489 0.2257 0.2257 1.4069 1.4069 3.8203 3.8203 3.9800 3.9800 4.1305 4.1305 4.9812 4.9812 7.3479 7.3479 8.2357 8.2357 9.0954 9.0954 9.3296 9.3296 10.0240 10.0240 10.2409 10.2409 k =-0.3656 0.3061 0.6404 ( 4848 PWs) bands (ev): -18.2970 -18.2970 -18.2920 -18.2920 -14.0388 -14.0388 -14.0373 -14.0373 -6.5684 -6.5684 -6.5514 -6.5514 -6.5353 -6.5353 -6.5256 -6.5256 -4.4494 -4.4494 -4.4381 -4.4381 -4.3667 -4.3667 -4.3611 -4.3611 -4.3485 -4.3485 -4.3031 -4.3031 -2.9258 -2.9258 -2.5584 -2.5584 -2.5356 -2.5356 -2.0876 -2.0876 -1.6684 -1.6684 -1.2643 -1.2643 -0.6250 -0.6250 -0.3439 -0.3439 0.1839 0.1839 1.4230 1.4230 3.8183 3.8183 3.9642 3.9642 4.1370 4.1370 5.0161 5.0161 7.3666 7.3666 8.2463 8.2463 9.1462 9.1462 9.3018 9.3018 10.0223 10.0223 10.2260 10.2260 k =-0.3746 0.3136 0.6287 ( 4851 PWs) bands (ev): -18.2966 -18.2966 -18.2923 -18.2923 -14.0387 -14.0387 -14.0374 -14.0374 -6.5683 -6.5683 -6.5515 -6.5515 -6.5353 -6.5353 -6.5254 -6.5254 -4.4491 -4.4491 -4.4380 -4.4380 -4.3664 -4.3664 -4.3609 -4.3609 -4.3496 -4.3496 -4.3027 -4.3027 -2.9301 -2.9301 -2.5499 -2.5499 -2.5275 -2.5275 -2.0875 -2.0875 -1.6832 -1.6832 -1.2639 -1.2639 -0.6152 -0.6152 -0.3384 -0.3384 0.1458 0.1458 1.4377 1.4377 3.8134 3.8134 3.9530 3.9530 4.1422 4.1422 5.0471 5.0471 7.3841 7.3841 8.2562 8.2562 9.1908 9.1908 9.2803 9.2803 10.0149 10.0149 10.2045 10.2045 k =-0.3835 0.3211 0.6170 ( 4850 PWs) bands (ev): -18.2963 -18.2963 -18.2926 -18.2926 -14.0387 -14.0387 -14.0374 -14.0374 -6.5683 -6.5683 -6.5516 -6.5516 -6.5352 -6.5352 -6.5252 -6.5252 -4.4489 -4.4489 -4.4380 -4.4380 -4.3661 -4.3661 -4.3608 -4.3608 -4.3504 -4.3504 -4.3023 -4.3023 -2.9337 -2.9337 -2.5427 -2.5427 -2.5201 -2.5201 -2.0875 -2.0875 -1.6960 -1.6960 -1.2638 -1.2638 -0.6063 -0.6063 -0.3325 -0.3325 0.1117 0.1117 1.4505 1.4505 3.8063 3.8063 3.9458 3.9458 4.1465 4.1465 5.0740 5.0740 7.3998 7.3998 8.2651 8.2651 9.2158 9.2158 9.2781 9.2781 10.0039 10.0039 10.1807 10.1807 k =-0.3925 0.3286 0.6054 ( 4848 PWs) bands (ev): -18.2961 -18.2961 -18.2928 -18.2928 -14.0386 -14.0386 -14.0375 -14.0375 -6.5683 -6.5683 -6.5517 -6.5517 -6.5352 -6.5352 -6.5250 -6.5250 -4.4487 -4.4487 -4.4379 -4.4379 -4.3659 -4.3659 -4.3607 -4.3607 -4.3512 -4.3512 -4.3019 -4.3019 -2.9366 -2.9366 -2.5366 -2.5366 -2.5138 -2.5138 -2.0875 -2.0875 -1.7069 -1.7069 -1.2639 -1.2639 -0.5986 -0.5986 -0.3265 -0.3265 0.0823 0.0823 1.4614 1.4614 3.7985 3.7985 3.9417 3.9417 4.1498 4.1498 5.0964 5.0964 7.4133 7.4133 8.2729 8.2729 9.2107 9.2107 9.3046 9.3046 9.9912 9.9912 10.1574 10.1574 k =-0.4015 0.3361 0.5937 ( 4851 PWs) bands (ev): -18.2959 -18.2959 -18.2930 -18.2930 -14.0385 -14.0385 -14.0375 -14.0375 -6.5682 -6.5682 -6.5518 -6.5518 -6.5352 -6.5352 -6.5249 -6.5249 -4.4485 -4.4485 -4.4379 -4.4379 -4.3657 -4.3657 -4.3606 -4.3606 -4.3517 -4.3517 -4.3017 -4.3017 -2.9389 -2.9389 -2.5318 -2.5318 -2.5087 -2.5087 -2.0875 -2.0875 -1.7155 -1.7155 -1.2641 -1.2641 -0.5924 -0.5924 -0.3209 -0.3209 0.0582 0.0582 1.4700 1.4700 3.7911 3.7911 3.9395 3.9395 4.1522 4.1522 5.1140 5.1140 7.4242 7.4242 8.2792 8.2792 9.1982 9.1982 9.3364 9.3364 9.9787 9.9787 10.1367 10.1367 k =-0.4104 0.3436 0.5820 ( 4857 PWs) bands (ev): -18.2958 -18.2958 -18.2931 -18.2931 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4484 -4.4484 -4.4379 -4.4379 -4.3655 -4.3655 -4.3606 -4.3606 -4.3521 -4.3521 -4.3015 -4.3015 -2.9406 -2.9406 -2.5282 -2.5282 -2.5049 -2.5049 -2.0875 -2.0875 -1.7218 -1.7218 -1.2643 -1.2643 -0.5878 -0.5878 -0.3162 -0.3162 0.0402 0.0402 1.4763 1.4763 3.7852 3.7852 3.9384 3.9384 4.1539 4.1539 5.1268 5.1268 7.4323 7.4323 8.2839 8.2839 9.1874 9.1874 9.3626 9.3626 9.9680 9.9680 10.1204 10.1204 k =-0.4194 0.3511 0.5703 ( 4853 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4483 -4.4483 -4.4379 -4.4379 -4.3655 -4.3655 -4.3605 -4.3605 -4.3524 -4.3524 -4.3014 -4.3014 -2.9416 -2.9416 -2.5261 -2.5261 -2.5027 -2.5027 -2.0875 -2.0875 -1.7256 -1.7256 -1.2645 -1.2645 -0.5850 -0.5850 -0.3130 -0.3130 0.0291 0.0291 1.4802 1.4802 3.7814 3.7814 3.9380 3.9380 4.1549 4.1549 5.1346 5.1346 7.4372 7.4372 8.2868 8.2868 9.1805 9.1805 9.3797 9.3797 9.9608 9.9608 10.1101 10.1101 k =-0.4283 0.3586 0.5586 ( 4842 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4483 -4.4483 -4.4379 -4.4379 -4.3654 -4.3654 -4.3605 -4.3605 -4.3525 -4.3525 -4.3014 -4.3014 -2.9419 -2.9419 -2.5253 -2.5253 -2.5019 -2.5019 -2.0875 -2.0875 -1.7268 -1.7268 -1.2646 -1.2646 -0.5841 -0.5841 -0.3119 -0.3119 0.0253 0.0253 1.4815 1.4815 3.7801 3.7801 3.9379 3.9379 4.1553 4.1553 5.1372 5.1372 7.4389 7.4389 8.2878 8.2878 9.1782 9.1782 9.3856 9.3856 9.9583 9.9583 10.1065 10.1065 k =-0.4283 0.3586 0.5586 ( 4842 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4483 -4.4483 -4.4379 -4.4379 -4.3654 -4.3654 -4.3605 -4.3605 -4.3525 -4.3525 -4.3014 -4.3014 -2.9419 -2.9419 -2.5253 -2.5253 -2.5019 -2.5019 -2.0875 -2.0875 -1.7268 -1.7268 -1.2646 -1.2646 -0.5841 -0.5841 -0.3119 -0.3119 0.0253 0.0253 1.4815 1.4815 3.7801 3.7801 3.9379 3.9379 4.1553 4.1553 5.1372 5.1372 7.4389 7.4389 8.2878 8.2878 9.1782 9.1782 9.3856 9.3856 9.9583 9.9583 10.1065 10.1065 k =-0.4186 0.3505 0.5459 ( 4856 PWs) bands (ev): -18.2962 -18.2962 -18.2927 -18.2927 -14.0385 -14.0385 -14.0375 -14.0375 -6.5683 -6.5683 -6.5517 -6.5517 -6.5352 -6.5352 -6.5251 -6.5251 -4.4491 -4.4491 -4.4377 -4.4377 -4.3661 -4.3661 -4.3606 -4.3606 -4.3511 -4.3511 -4.3021 -4.3021 -2.9354 -2.9354 -2.5391 -2.5391 -2.5162 -2.5162 -2.0878 -2.0878 -1.7005 -1.7005 -1.2650 -1.2650 -0.6058 -0.6058 -0.3175 -0.3175 0.0845 0.0845 1.4627 1.4627 3.7696 3.7696 3.9674 3.9674 4.1434 4.1434 5.0924 5.0924 7.4186 7.4186 8.2995 8.2995 9.1825 9.1825 9.3503 9.3503 9.8984 9.8984 10.0982 10.0982 k =-0.4089 0.3423 0.5332 ( 4860 PWs) bands (ev): -18.2969 -18.2969 -18.2922 -18.2922 -14.0386 -14.0386 -14.0375 -14.0375 -6.5684 -6.5684 -6.5515 -6.5515 -6.5352 -6.5352 -6.5255 -6.5255 -4.4500 -4.4500 -4.4375 -4.4375 -4.3668 -4.3668 -4.3608 -4.3608 -4.3496 -4.3496 -4.3028 -4.3028 -2.9281 -2.9281 -2.5540 -2.5540 -2.5307 -2.5307 -2.0882 -2.0882 -1.6727 -1.6727 -1.2665 -1.2665 -0.6251 -0.6251 -0.3235 -0.3235 0.1461 0.1461 1.4427 1.4427 3.7579 3.7579 3.9992 3.9992 4.1296 4.1296 5.0438 5.0438 7.3982 7.3982 8.3110 8.3110 9.1819 9.1819 9.3184 9.3184 9.8337 9.8337 10.0921 10.0921 k =-0.3991 0.3342 0.5205 ( 4852 PWs) bands (ev): -18.2975 -18.2975 -18.2915 -18.2915 -14.0387 -14.0387 -14.0374 -14.0374 -6.5685 -6.5685 -6.5514 -6.5514 -6.5353 -6.5353 -6.5259 -6.5259 -4.4509 -4.4509 -4.4373 -4.4373 -4.3675 -4.3675 -4.3610 -4.3610 -4.3480 -4.3480 -4.3036 -4.3036 -2.9200 -2.9200 -2.5699 -2.5699 -2.5448 -2.5448 -2.0886 -2.0886 -1.6437 -1.6437 -1.2693 -1.2693 -0.6419 -0.6419 -0.3299 -0.3299 0.2101 0.2101 1.4220 1.4220 3.7450 3.7450 4.0324 4.0324 4.1137 4.1137 4.9921 4.9921 7.3783 7.3783 8.3220 8.3220 9.1723 9.1723 9.2940 9.2940 9.7658 9.7658 10.0888 10.0888 k =-0.3894 0.3260 0.5078 ( 4848 PWs) bands (ev): -18.2983 -18.2983 -18.2908 -18.2908 -14.0388 -14.0388 -14.0372 -14.0372 -6.5685 -6.5685 -6.5512 -6.5512 -6.5354 -6.5354 -6.5264 -6.5264 -4.4519 -4.4519 -4.4372 -4.4372 -4.3683 -4.3683 -4.3613 -4.3613 -4.3463 -4.3463 -4.3044 -4.3044 -2.9112 -2.9112 -2.5870 -2.5870 -2.5579 -2.5579 -2.0892 -2.0892 -1.6139 -1.6139 -1.2738 -1.2738 -0.6559 -0.6559 -0.3364 -0.3364 0.2762 0.2762 1.4008 1.4008 3.7308 3.7308 4.0651 4.0651 4.0970 4.0970 4.9377 4.9377 7.3594 7.3594 8.3320 8.3320 9.1510 9.1510 9.2801 9.2801 9.6963 9.6963 10.0891 10.0891 k =-0.3797 0.3179 0.4952 ( 4844 PWs) bands (ev): -18.2991 -18.2991 -18.2901 -18.2901 -14.0388 -14.0388 -14.0371 -14.0371 -6.5686 -6.5686 -6.5510 -6.5510 -6.5355 -6.5355 -6.5269 -6.5269 -4.4530 -4.4530 -4.4372 -4.4372 -4.3691 -4.3691 -4.3617 -4.3617 -4.3446 -4.3446 -4.3052 -4.3052 -2.9016 -2.9016 -2.6051 -2.6051 -2.5700 -2.5700 -2.0899 -2.0899 -1.5837 -1.5837 -1.2803 -1.2803 -0.6670 -0.6670 -0.3430 -0.3430 0.3443 0.3443 1.3794 1.3794 3.7157 3.7157 4.0696 4.0696 4.1066 4.1066 4.8811 4.8811 7.3422 7.3422 8.3406 8.3406 9.1202 9.1202 9.2748 9.2748 9.6264 9.6264 10.0932 10.0932 k =-0.3699 0.3097 0.4825 ( 4850 PWs) bands (ev): -18.3000 -18.3000 -18.2893 -18.2893 -14.0390 -14.0390 -14.0370 -14.0370 -6.5687 -6.5687 -6.5508 -6.5508 -6.5356 -6.5356 -6.5274 -6.5274 -4.4542 -4.4542 -4.4371 -4.4371 -4.3700 -4.3700 -4.3621 -4.3621 -4.3428 -4.3428 -4.3059 -4.3059 -2.8912 -2.8912 -2.6239 -2.6239 -2.5807 -2.5807 -2.0908 -2.0908 -1.5532 -1.5532 -1.2891 -1.2891 -0.6749 -0.6749 -0.3495 -0.3495 0.4141 0.4141 1.3582 1.3582 3.6995 3.6995 4.0472 4.0472 4.1403 4.1403 4.8228 4.8228 7.3270 7.3270 8.3476 8.3476 9.0844 9.0844 9.2737 9.2737 9.5573 9.5573 10.1013 10.1013 k =-0.3602 0.3016 0.4698 ( 4850 PWs) bands (ev): -18.3009 -18.3009 -18.2885 -18.2885 -14.0390 -14.0390 -14.0369 -14.0369 -6.5688 -6.5688 -6.5507 -6.5507 -6.5357 -6.5357 -6.5280 -6.5280 -4.4554 -4.4554 -4.4372 -4.4372 -4.3709 -4.3709 -4.3626 -4.3626 -4.3410 -4.3410 -4.3067 -4.3067 -2.8802 -2.8802 -2.6431 -2.6431 -2.5902 -2.5902 -2.0918 -2.0918 -1.5228 -1.5228 -1.3005 -1.3005 -0.6795 -0.6795 -0.3557 -0.3557 0.4854 0.4854 1.3374 1.3374 3.6824 3.6824 4.0207 4.0207 4.1749 4.1749 4.7634 4.7634 7.3143 7.3143 8.3525 8.3525 9.0465 9.0465 9.2740 9.2740 9.4902 9.4902 10.1136 10.1136 k =-0.3505 0.2934 0.4571 ( 4854 PWs) bands (ev): -18.3018 -18.3018 -18.2876 -18.2876 -14.0391 -14.0391 -14.0368 -14.0368 -6.5689 -6.5689 -6.5505 -6.5505 -6.5358 -6.5358 -6.5286 -6.5286 -4.4567 -4.4567 -4.4373 -4.4373 -4.3720 -4.3720 -4.3631 -4.3631 -4.3393 -4.3393 -4.3074 -4.3074 -2.8686 -2.8686 -2.6626 -2.6626 -2.5983 -2.5983 -2.0929 -2.0929 -1.4928 -1.4928 -1.3146 -1.3146 -0.6808 -0.6808 -0.3616 -0.3616 0.5582 0.5582 1.3174 1.3174 3.6646 3.6646 3.9910 3.9910 4.2086 4.2086 4.7032 4.7032 7.3044 7.3044 8.3551 8.3551 9.0083 9.0083 9.2738 9.2738 9.4266 9.4266 10.1301 10.1301 k =-0.3407 0.2853 0.4444 ( 4850 PWs) bands (ev): -18.3029 -18.3029 -18.2867 -18.2867 -14.0392 -14.0392 -14.0367 -14.0367 -6.5690 -6.5690 -6.5503 -6.5503 -6.5359 -6.5359 -6.5292 -6.5292 -4.4581 -4.4581 -4.4374 -4.4374 -4.3732 -4.3732 -4.3636 -4.3636 -4.3375 -4.3375 -4.3080 -4.3080 -2.8563 -2.8563 -2.6820 -2.6820 -2.6051 -2.6051 -2.0942 -2.0942 -1.4634 -1.4634 -1.3315 -1.3315 -0.6786 -0.6786 -0.3668 -0.3668 0.6320 0.6320 1.2983 1.2983 3.6459 3.6459 3.9583 3.9583 4.2408 4.2408 4.6427 4.6427 7.2976 7.2976 8.3552 8.3552 8.9707 8.9707 9.2710 9.2710 9.3694 9.3694 10.1505 10.1505 k =-0.3310 0.2771 0.4317 ( 4848 PWs) bands (ev): -18.3039 -18.3039 -18.2857 -18.2857 -14.0392 -14.0392 -14.0365 -14.0365 -6.5691 -6.5691 -6.5502 -6.5502 -6.5360 -6.5360 -6.5299 -6.5299 -4.4596 -4.4596 -4.4376 -4.4376 -4.3745 -4.3745 -4.3641 -4.3641 -4.3358 -4.3358 -4.3086 -4.3086 -2.8435 -2.8435 -2.7011 -2.7011 -2.6106 -2.6106 -2.0957 -2.0957 -1.4348 -1.4348 -1.3512 -1.3512 -0.6733 -0.6733 -0.3712 -0.3712 0.7068 0.7068 1.2805 1.2805 3.6266 3.6266 3.9226 3.9226 4.2707 4.2707 4.5824 4.5824 7.2942 7.2942 8.3526 8.3526 8.9341 8.9341 9.2583 9.2583 9.3261 9.3261 10.1746 10.1746 k =-0.3213 0.2690 0.4190 ( 4856 PWs) bands (ev): -18.3050 -18.3050 -18.2847 -18.2847 -14.0393 -14.0393 -14.0364 -14.0364 -6.5692 -6.5692 -6.5501 -6.5501 -6.5361 -6.5361 -6.5306 -6.5306 -4.4612 -4.4612 -4.4379 -4.4379 -4.3759 -4.3759 -4.3645 -4.3645 -4.3342 -4.3342 -4.3091 -4.3091 -2.8302 -2.8302 -2.7197 -2.7197 -2.6147 -2.6147 -2.0975 -2.0975 -1.4074 -1.4074 -1.3735 -1.3735 -0.6648 -0.6648 -0.3747 -0.3747 0.7821 0.7821 1.2641 1.2641 3.6066 3.6066 3.8841 3.8841 4.2979 4.2979 4.5226 4.5226 7.2942 7.2942 8.3472 8.3472 8.8991 8.8991 9.2258 9.2258 9.3075 9.3075 10.2021 10.2021 k =-0.3115 0.2608 0.4063 ( 4850 PWs) bands (ev): -18.3062 -18.3062 -18.2837 -18.2837 -14.0393 -14.0393 -14.0363 -14.0363 -6.5692 -6.5692 -6.5500 -6.5500 -6.5362 -6.5362 -6.5313 -6.5313 -4.4628 -4.4628 -4.4382 -4.4382 -4.3775 -4.3775 -4.3649 -4.3649 -4.3326 -4.3326 -4.3095 -4.3095 -2.8168 -2.8168 -2.7375 -2.7375 -2.6173 -2.6173 -2.0994 -2.0994 -1.3986 -1.3986 -1.3811 -1.3811 -0.6534 -0.6534 -0.3769 -0.3769 0.8578 0.8578 1.2493 1.2493 3.5860 3.5860 3.8428 3.8428 4.3217 4.3217 4.4638 4.4638 7.2979 7.2979 8.3391 8.3391 8.8659 8.8659 9.1838 9.1838 9.3039 9.3039 10.2326 10.2326 k =-0.3018 0.2527 0.3936 ( 4852 PWs) bands (ev): -18.3074 -18.3074 -18.2826 -18.2826 -14.0393 -14.0393 -14.0361 -14.0361 -6.5693 -6.5693 -6.5500 -6.5500 -6.5363 -6.5363 -6.5321 -6.5321 -4.4645 -4.4645 -4.4386 -4.4386 -4.3793 -4.3793 -4.3652 -4.3652 -4.3311 -4.3311 -4.3098 -4.3098 -2.8039 -2.8039 -2.7537 -2.7537 -2.6186 -2.6186 -2.1015 -2.1015 -1.4257 -1.4257 -1.3566 -1.3566 -0.6394 -0.6394 -0.3779 -0.3779 0.9335 0.9335 1.2364 1.2364 3.5649 3.5649 3.7989 3.7989 4.3416 4.3416 4.4064 4.4064 7.3052 7.3052 8.3286 8.3286 8.8347 8.8347 9.1428 9.1428 9.3054 9.3054 10.2657 10.2657 k =-0.2920 0.2445 0.3809 ( 4864 PWs) bands (ev): -18.3086 -18.3086 -18.2816 -18.2816 -14.0393 -14.0393 -14.0360 -14.0360 -6.5694 -6.5694 -6.5499 -6.5499 -6.5365 -6.5365 -6.5328 -6.5328 -4.4663 -4.4663 -4.4390 -4.4390 -4.3812 -4.3812 -4.3654 -4.3654 -4.3297 -4.3297 -4.3100 -4.3100 -2.7946 -2.7946 -2.7651 -2.7651 -2.6185 -2.6185 -2.1038 -2.1038 -1.4550 -1.4550 -1.3338 -1.3338 -0.6229 -0.6229 -0.3773 -0.3773 1.0088 1.0088 1.2255 1.2255 3.5431 3.5431 3.7528 3.7528 4.3480 4.3480 4.3597 4.3597 7.3162 7.3162 8.3160 8.3160 8.8059 8.8059 9.1056 9.1056 9.3094 9.3094 10.3011 10.3011 k =-0.2823 0.2364 0.3682 ( 4872 PWs) bands (ev): -18.3098 -18.3098 -18.2805 -18.2805 -14.0393 -14.0393 -14.0359 -14.0359 -6.5694 -6.5694 -6.5499 -6.5499 -6.5366 -6.5366 -6.5336 -6.5336 -4.4682 -4.4682 -4.4394 -4.4394 -4.3832 -4.3832 -4.3656 -4.3656 -4.3283 -4.3283 -4.3101 -4.3101 -2.7984 -2.7984 -2.7624 -2.7624 -2.6170 -2.6170 -2.1063 -2.1063 -1.4862 -1.4862 -1.3129 -1.3129 -0.6043 -0.6043 -0.3751 -0.3751 1.0836 1.0836 1.2167 1.2167 3.5208 3.5208 3.7046 3.7046 4.2961 4.2961 4.3684 4.3684 7.3307 7.3307 8.3019 8.3019 8.7796 8.7796 9.0729 9.0729 9.3153 9.3153 10.3384 10.3384 k =-0.2726 0.2282 0.3555 ( 4866 PWs) bands (ev): -18.3111 -18.3111 -18.2793 -18.2793 -14.0392 -14.0392 -14.0358 -14.0358 -6.5695 -6.5695 -6.5499 -6.5499 -6.5367 -6.5367 -6.5344 -6.5344 -4.4701 -4.4701 -4.4398 -4.4398 -4.3854 -4.3854 -4.3657 -4.3657 -4.3271 -4.3271 -4.3101 -4.3101 -2.8107 -2.8107 -2.7499 -2.7499 -2.6142 -2.6142 -2.1091 -2.1091 -1.5191 -1.5191 -1.2940 -1.2940 -0.5838 -0.5838 -0.3711 -0.3711 1.1573 1.1573 1.2103 1.2103 3.4976 3.4976 3.6550 3.6550 4.2449 4.2449 4.3737 4.3737 7.3488 7.3488 8.2868 8.2868 8.7560 8.7560 9.0449 9.0449 9.3228 9.3228 10.3775 10.3775 k =-0.2628 0.2201 0.3428 ( 4846 PWs) bands (ev): -18.3123 -18.3123 -18.2782 -18.2782 -14.0391 -14.0391 -14.0357 -14.0357 -6.5695 -6.5695 -6.5499 -6.5499 -6.5368 -6.5368 -6.5352 -6.5352 -4.4721 -4.4721 -4.4403 -4.4403 -4.3876 -4.3876 -4.3657 -4.3657 -4.3259 -4.3259 -4.3100 -4.3100 -2.8241 -2.8241 -2.7350 -2.7350 -2.6102 -2.6102 -2.1120 -2.1120 -1.5534 -1.5534 -1.2773 -1.2773 -0.5616 -0.5616 -0.3652 -0.3652 1.2063 1.2063 1.2296 1.2296 3.4732 3.4732 3.6046 3.6046 4.1965 4.1965 4.3734 4.3734 7.3702 7.3702 8.2715 8.2715 8.7355 8.7355 9.0213 9.0213 9.3319 9.3319 10.4179 10.4179 k =-0.2531 0.2119 0.3301 ( 4841 PWs) bands (ev): -18.3136 -18.3136 -18.2771 -18.2771 -14.0390 -14.0390 -14.0356 -14.0356 -6.5695 -6.5695 -6.5500 -6.5500 -6.5370 -6.5370 -6.5360 -6.5360 -4.4741 -4.4741 -4.4407 -4.4407 -4.3899 -4.3899 -4.3657 -4.3657 -4.3249 -4.3249 -4.3098 -4.3098 -2.8372 -2.8372 -2.7194 -2.7194 -2.6049 -2.6049 -2.1151 -2.1151 -1.5889 -1.5889 -1.2628 -1.2628 -0.5379 -0.5379 -0.3574 -0.3574 1.2049 1.2049 1.3000 1.3000 3.4466 3.4466 3.5548 3.5548 4.1513 4.1513 4.3671 4.3671 7.3949 7.3949 8.2565 8.2565 8.7180 8.7180 9.0019 9.0019 9.3425 9.3425 10.4593 10.4593 k =-0.2434 0.2038 0.3174 ( 4841 PWs) bands (ev): -18.3149 -18.3149 -18.2759 -18.2759 -14.0389 -14.0389 -14.0355 -14.0355 -6.5696 -6.5696 -6.5501 -6.5501 -6.5372 -6.5372 -6.5367 -6.5367 -4.4762 -4.4762 -4.4412 -4.4412 -4.3923 -4.3923 -4.3657 -4.3657 -4.3239 -4.3239 -4.3095 -4.3095 -2.8494 -2.8494 -2.7035 -2.7035 -2.5984 -2.5984 -2.1185 -2.1185 -1.6255 -1.6255 -1.2506 -1.2506 -0.5131 -0.5131 -0.3478 -0.3478 1.2061 1.2061 1.3682 1.3682 3.4158 3.4158 3.5077 3.5077 4.1096 4.1096 4.3546 4.3546 7.4226 7.4226 8.2424 8.2424 8.7038 8.7038 8.9864 8.9864 9.3546 9.3546 10.5014 10.5014 k =-0.2336 0.1956 0.3047 ( 4841 PWs) bands (ev): -18.3162 -18.3162 -18.2748 -18.2748 -14.0388 -14.0388 -14.0354 -14.0354 -6.5696 -6.5696 -6.5502 -6.5502 -6.5376 -6.5376 -6.5372 -6.5372 -4.4784 -4.4784 -4.4416 -4.4416 -4.3946 -4.3946 -4.3657 -4.3657 -4.3231 -4.3231 -4.3092 -4.3092 -2.8606 -2.8606 -2.6874 -2.6874 -2.5909 -2.5909 -2.1219 -2.1219 -1.6629 -1.6629 -1.2405 -1.2405 -0.4871 -0.4871 -0.3362 -0.3362 1.2100 1.2100 1.4336 1.4336 3.3783 3.3783 3.4665 3.4665 4.0719 4.0719 4.3360 4.3360 7.4531 7.4531 8.2296 8.2296 8.6929 8.6929 8.9747 8.9747 9.3680 9.3680 10.5437 10.5437 k =-0.2239 0.1875 0.2920 ( 4843 PWs) bands (ev): -18.3175 -18.3175 -18.2737 -18.2737 -14.0387 -14.0387 -14.0353 -14.0353 -6.5696 -6.5696 -6.5504 -6.5504 -6.5383 -6.5383 -6.5374 -6.5374 -4.4806 -4.4806 -4.4420 -4.4420 -4.3970 -4.3970 -4.3656 -4.3656 -4.3224 -4.3224 -4.3088 -4.3088 -2.8708 -2.8708 -2.6713 -2.6713 -2.5824 -2.5824 -2.1256 -2.1256 -1.7011 -1.7011 -1.2325 -1.2325 -0.4604 -0.4604 -0.3229 -0.3229 1.2168 1.2168 1.4959 1.4959 3.3328 3.3328 3.4327 3.4327 4.0385 4.0385 4.3110 4.3110 7.4862 7.4862 8.2185 8.2185 8.6851 8.6851 8.9667 8.9667 9.3826 9.3826 10.5855 10.5855 k =-0.2142 0.1793 0.2793 ( 4847 PWs) bands (ev): -18.3188 -18.3188 -18.2726 -18.2726 -14.0385 -14.0385 -14.0352 -14.0352 -6.5695 -6.5695 -6.5506 -6.5506 -6.5391 -6.5391 -6.5376 -6.5376 -4.4828 -4.4828 -4.4424 -4.4424 -4.3994 -4.3994 -4.3655 -4.3655 -4.3217 -4.3217 -4.3083 -4.3083 -2.8798 -2.8798 -2.6553 -2.6553 -2.5730 -2.5730 -2.1294 -2.1294 -1.7397 -1.7397 -1.2266 -1.2266 -0.4329 -0.4329 -0.3080 -0.3080 1.2264 1.2264 1.5545 1.5545 3.2812 3.2812 3.4047 3.4047 4.0097 4.0097 4.2801 4.2801 7.5216 7.5216 8.2092 8.2092 8.6806 8.6806 8.9625 8.9625 9.3981 9.3981 10.6252 10.6252 k =-0.2044 0.1712 0.2666 ( 4847 PWs) bands (ev): -18.3201 -18.3201 -18.2714 -18.2714 -14.0383 -14.0383 -14.0351 -14.0351 -6.5695 -6.5695 -6.5508 -6.5508 -6.5399 -6.5399 -6.5378 -6.5378 -4.4850 -4.4850 -4.4428 -4.4428 -4.4017 -4.4017 -4.3654 -4.3654 -4.3212 -4.3212 -4.3077 -4.3077 -2.8876 -2.8876 -2.6395 -2.6395 -2.5628 -2.5628 -2.1333 -2.1333 -1.7787 -1.7787 -1.2224 -1.2224 -0.4049 -0.4049 -0.2917 -0.2917 1.2389 1.2389 1.6090 1.6090 3.2262 3.2262 3.3803 3.3803 3.9858 3.9858 4.2431 4.2431 7.5589 7.5589 8.2019 8.2019 8.6790 8.6790 8.9621 8.9621 9.4145 9.4145 10.6589 10.6589 k =-0.1947 0.1630 0.2539 ( 4849 PWs) bands (ev): -18.3213 -18.3213 -18.2704 -18.2704 -14.0382 -14.0382 -14.0351 -14.0351 -6.5695 -6.5695 -6.5510 -6.5510 -6.5406 -6.5406 -6.5379 -6.5379 -4.4873 -4.4873 -4.4431 -4.4431 -4.4040 -4.4040 -4.3653 -4.3653 -4.3208 -4.3208 -4.3070 -4.3070 -2.8943 -2.8943 -2.6239 -2.6239 -2.5518 -2.5518 -2.1373 -2.1373 -1.8179 -1.8179 -1.2200 -1.2200 -0.3767 -0.3767 -0.2741 -0.2741 1.2543 1.2543 1.6591 1.6591 3.1696 3.1696 3.3580 3.3580 3.9671 3.9671 4.2007 4.2007 7.5978 7.5978 8.1967 8.1967 8.6801 8.6801 8.9657 8.9657 9.4315 9.4315 10.6757 10.6757 k =-0.1850 0.1549 0.2412 ( 4847 PWs) bands (ev): -18.3226 -18.3226 -18.2693 -18.2693 -14.0380 -14.0380 -14.0350 -14.0350 -6.5694 -6.5694 -6.5512 -6.5512 -6.5413 -6.5413 -6.5381 -6.5381 -4.4895 -4.4895 -4.4434 -4.4434 -4.4062 -4.4062 -4.3652 -4.3652 -4.3204 -4.3204 -4.3063 -4.3063 -2.8997 -2.8997 -2.6087 -2.6087 -2.5403 -2.5403 -2.1414 -2.1414 -1.8571 -1.8571 -1.2190 -1.2190 -0.3482 -0.3482 -0.2554 -0.2554 1.2725 1.2725 1.7044 1.7044 3.1125 3.1125 3.3371 3.3371 3.9537 3.9537 4.1530 4.1530 7.6377 7.6377 8.1936 8.1936 8.6835 8.6835 8.9737 8.9737 9.4489 9.4489 10.6640 10.6640 k =-0.1752 0.1467 0.2285 ( 4851 PWs) bands (ev): -18.3238 -18.3238 -18.2682 -18.2682 -14.0377 -14.0377 -14.0350 -14.0350 -6.5694 -6.5694 -6.5514 -6.5514 -6.5420 -6.5420 -6.5383 -6.5383 -4.4918 -4.4918 -4.4437 -4.4437 -4.4084 -4.4084 -4.3651 -4.3651 -4.3202 -4.3202 -4.3055 -4.3055 -2.9039 -2.9039 -2.5938 -2.5938 -2.5283 -2.5283 -2.1455 -2.1455 -1.8962 -1.8962 -1.2193 -1.2193 -0.3197 -0.3197 -0.2360 -0.2360 1.2937 1.2937 1.7447 1.7447 3.0554 3.0554 3.3174 3.3174 3.9456 3.9456 4.1006 4.1006 7.6781 7.6781 8.1928 8.1928 8.6889 8.6889 8.9861 8.9861 9.4665 9.4665 10.6316 10.6316 k =-0.1655 0.1386 0.2158 ( 4865 PWs) bands (ev): -18.3250 -18.3250 -18.2672 -18.2672 -14.0375 -14.0375 -14.0350 -14.0350 -6.5694 -6.5694 -6.5517 -6.5517 -6.5427 -6.5427 -6.5384 -6.5384 -4.4939 -4.4939 -4.4439 -4.4439 -4.4105 -4.4105 -4.3650 -4.3650 -4.3200 -4.3200 -4.3047 -4.3047 -2.9069 -2.9069 -2.5795 -2.5795 -2.5159 -2.5159 -2.1497 -2.1497 -1.9350 -1.9350 -1.2207 -1.2207 -0.2914 -0.2914 -0.2159 -0.2159 1.3176 1.3176 1.7799 1.7799 2.9989 2.9989 3.2986 3.2986 3.9428 3.9428 4.0441 4.0441 7.7183 7.7183 8.1945 8.1945 8.6957 8.6957 9.0033 9.0033 9.4842 9.4842 10.5897 10.5897 k =-0.1558 0.1304 0.2031 ( 4873 PWs) bands (ev): -18.3261 -18.3261 -18.2663 -18.2663 -14.0373 -14.0373 -14.0349 -14.0349 -6.5693 -6.5693 -6.5519 -6.5519 -6.5434 -6.5434 -6.5386 -6.5386 -4.4961 -4.4961 -4.4441 -4.4441 -4.4125 -4.4125 -4.3650 -4.3650 -4.3199 -4.3199 -4.3038 -4.3038 -2.9087 -2.9087 -2.5657 -2.5657 -2.5034 -2.5034 -2.1539 -2.1539 -1.9734 -1.9734 -1.2230 -1.2230 -0.2635 -0.2635 -0.1954 -0.1954 1.3442 1.3442 1.8099 1.8099 2.9434 2.9434 3.2806 3.2806 3.9446 3.9446 3.9845 3.9845 7.7575 7.7575 8.1992 8.1992 8.7035 8.7035 9.0254 9.0254 9.5017 9.5017 10.5429 10.5429 k =-0.1460 0.1223 0.1904 ( 4867 PWs) bands (ev): -18.3272 -18.3272 -18.2653 -18.2653 -14.0371 -14.0371 -14.0349 -14.0349 -6.5692 -6.5692 -6.5522 -6.5522 -6.5440 -6.5440 -6.5387 -6.5387 -4.4981 -4.4981 -4.4442 -4.4442 -4.4144 -4.4144 -4.3649 -4.3649 -4.3198 -4.3198 -4.3029 -4.3029 -2.9093 -2.9093 -2.5525 -2.5525 -2.4906 -2.4906 -2.1580 -2.1580 -2.0111 -2.0111 -1.2260 -1.2260 -0.2360 -0.2360 -0.1748 -0.1748 1.3734 1.3734 1.8348 1.8348 2.8894 2.8894 3.2636 3.2636 3.9191 3.9191 3.9539 3.9539 7.7946 7.7946 8.2074 8.2074 8.7118 8.7118 9.0525 9.0525 9.5189 9.5189 10.4934 10.4934 k =-0.1363 0.1141 0.1777 ( 4871 PWs) bands (ev): -18.3282 -18.3282 -18.2644 -18.2644 -14.0369 -14.0369 -14.0349 -14.0349 -6.5691 -6.5691 -6.5524 -6.5524 -6.5446 -6.5446 -6.5389 -6.5389 -4.5001 -4.5001 -4.4443 -4.4443 -4.4162 -4.4162 -4.3648 -4.3648 -4.3198 -4.3198 -4.3020 -4.3020 -2.9087 -2.9087 -2.5399 -2.5399 -2.4780 -2.4780 -2.1621 -2.1621 -2.0481 -2.0481 -1.2295 -1.2295 -0.2093 -0.2093 -0.1542 -0.1542 1.4050 1.4050 1.8549 1.8549 2.8370 2.8370 3.2473 3.2473 3.8543 3.8543 3.9646 3.9646 7.8286 7.8286 8.2198 8.2198 8.7203 8.7203 9.0841 9.0841 9.5358 9.5358 10.4423 10.4423 k =-0.1266 0.1060 0.1651 ( 4859 PWs) bands (ev): -18.3292 -18.3292 -18.2636 -18.2636 -14.0366 -14.0366 -14.0348 -14.0348 -6.5691 -6.5691 -6.5526 -6.5526 -6.5452 -6.5452 -6.5390 -6.5390 -4.5020 -4.5020 -4.4444 -4.4444 -4.4178 -4.4178 -4.3647 -4.3647 -4.3198 -4.3198 -4.3010 -4.3010 -2.9071 -2.9071 -2.5281 -2.5281 -2.4654 -2.4654 -2.1662 -2.1662 -2.0841 -2.0841 -1.2335 -1.2335 -0.1834 -0.1834 -0.1337 -0.1337 1.4388 1.4388 1.8705 1.8705 2.7866 2.7866 3.2319 3.2319 3.7871 3.7871 3.9798 3.9798 7.8586 7.8586 8.2370 8.2370 8.7287 8.7287 9.1201 9.1201 9.5523 9.5523 10.3904 10.3904 k =-0.1168 0.0978 0.1524 ( 4867 PWs) bands (ev): -18.3302 -18.3302 -18.2628 -18.2628 -14.0364 -14.0364 -14.0348 -14.0348 -6.5690 -6.5690 -6.5528 -6.5528 -6.5459 -6.5459 -6.5392 -6.5392 -4.5038 -4.5038 -4.4444 -4.4444 -4.4195 -4.4195 -4.3647 -4.3647 -4.3199 -4.3199 -4.3001 -4.3001 -2.9045 -2.9045 -2.5169 -2.5169 -2.4532 -2.4532 -2.1703 -2.1703 -2.1187 -2.1187 -1.2377 -1.2377 -0.1586 -0.1586 -0.1137 -0.1137 1.4745 1.4745 1.8821 1.8821 2.7385 2.7385 3.2174 3.2174 3.7189 3.7189 3.9980 3.9980 7.8836 7.8836 8.2594 8.2594 8.7368 8.7368 9.1599 9.1599 9.5685 9.5685 10.3383 10.3383 k =-0.1071 0.0897 0.1397 ( 4867 PWs) bands (ev): -18.3311 -18.3311 -18.2620 -18.2620 -14.0362 -14.0362 -14.0348 -14.0348 -6.5689 -6.5689 -6.5530 -6.5530 -6.5464 -6.5464 -6.5393 -6.5393 -4.5055 -4.5055 -4.4445 -4.4445 -4.4210 -4.4210 -4.3646 -4.3646 -4.3199 -4.3199 -4.2993 -4.2993 -2.9009 -2.9009 -2.5066 -2.5066 -2.4414 -2.4414 -2.1754 -2.1754 -2.1510 -2.1510 -1.2420 -1.2420 -0.1351 -0.1351 -0.0943 -0.0943 1.5119 1.5119 1.8901 1.8901 2.6929 2.6929 3.2036 3.2036 3.6505 3.6505 4.0187 4.0187 7.9035 7.9035 8.2871 8.2871 8.7441 8.7441 9.2027 9.2027 9.5847 9.5847 10.2868 10.2868 k =-0.0973 0.0815 0.1270 ( 4879 PWs) bands (ev): -18.3319 -18.3319 -18.2613 -18.2613 -14.0360 -14.0360 -14.0348 -14.0348 -6.5688 -6.5688 -6.5531 -6.5531 -6.5470 -6.5470 -6.5394 -6.5394 -4.5071 -4.5071 -4.4445 -4.4445 -4.4223 -4.4223 -4.3646 -4.3646 -4.3200 -4.3200 -4.2984 -4.2984 -2.8965 -2.8965 -2.4970 -2.4970 -2.4302 -2.4302 -2.1900 -2.1900 -2.1721 -2.1721 -1.2463 -1.2463 -0.1131 -0.1131 -0.0756 -0.0756 1.5505 1.5505 1.8950 1.8950 2.6502 2.6502 3.1907 3.1907 3.5828 3.5828 4.0409 4.0409 7.9185 7.9185 8.3195 8.3195 8.7506 8.7506 9.2475 9.2475 9.6013 9.6013 10.2364 10.2364 k =-0.0876 0.0734 0.1143 ( 4883 PWs) bands (ev): -18.3326 -18.3326 -18.2607 -18.2607 -14.0358 -14.0358 -14.0348 -14.0348 -6.5688 -6.5688 -6.5532 -6.5532 -6.5476 -6.5476 -6.5395 -6.5395 -4.5086 -4.5086 -4.4445 -4.4445 -4.4236 -4.4236 -4.3646 -4.3646 -4.3201 -4.3201 -4.2976 -4.2976 -2.8913 -2.8913 -2.4883 -2.4883 -2.4197 -2.4197 -2.2179 -2.2179 -2.1778 -2.1778 -1.2505 -1.2505 -0.0927 -0.0927 -0.0578 -0.0578 1.5898 1.5898 1.8975 1.8975 2.6105 2.6105 3.1785 3.1785 3.5166 3.5166 4.0639 4.0639 7.9291 7.9291 8.3556 8.3556 8.7558 8.7558 9.2931 9.2931 9.6192 9.6192 10.1879 10.1879 k =-0.0779 0.0652 0.1016 ( 4875 PWs) bands (ev): -18.3333 -18.3333 -18.2601 -18.2601 -14.0356 -14.0356 -14.0348 -14.0348 -6.5687 -6.5687 -6.5532 -6.5532 -6.5482 -6.5482 -6.5396 -6.5396 -4.5098 -4.5098 -4.4445 -4.4445 -4.4247 -4.4247 -4.3645 -4.3645 -4.3202 -4.3202 -4.2969 -4.2969 -2.8857 -2.8857 -2.4805 -2.4805 -2.4100 -2.4100 -2.2458 -2.2458 -2.1813 -2.1813 -1.2545 -1.2545 -0.0741 -0.0741 -0.0411 -0.0411 1.6292 1.6292 1.8980 1.8980 2.5741 2.5741 3.1669 3.1669 3.4530 3.4530 4.0870 4.0870 7.9364 7.9364 8.3945 8.3945 8.7595 8.7595 9.3377 9.3377 9.6396 9.6396 10.1420 10.1420 k =-0.0681 0.0571 0.0889 ( 4881 PWs) bands (ev): -18.3339 -18.3339 -18.2596 -18.2596 -14.0355 -14.0355 -14.0348 -14.0348 -6.5687 -6.5687 -6.5533 -6.5533 -6.5487 -6.5487 -6.5397 -6.5397 -4.5110 -4.5110 -4.4445 -4.4445 -4.4257 -4.4257 -4.3645 -4.3645 -4.3203 -4.3203 -4.2962 -4.2962 -2.8797 -2.8797 -2.4736 -2.4736 -2.4013 -2.4013 -2.2718 -2.2718 -2.1842 -2.1842 -1.2582 -1.2582 -0.0575 -0.0575 -0.0257 -0.0257 1.6680 1.6680 1.8971 1.8971 2.5413 2.5413 3.1556 3.1556 3.3933 3.3933 4.1092 4.1092 7.9410 7.9410 8.4348 8.4348 8.7613 8.7613 9.3790 9.3790 9.6642 9.6642 10.0993 10.0993 k =-0.0584 0.0489 0.0762 ( 4873 PWs) bands (ev): -18.3345 -18.3345 -18.2591 -18.2591 -14.0353 -14.0353 -14.0347 -14.0347 -6.5686 -6.5686 -6.5532 -6.5532 -6.5492 -6.5492 -6.5397 -6.5397 -4.5120 -4.5120 -4.4444 -4.4444 -4.4266 -4.4266 -4.3644 -4.3644 -4.3203 -4.3203 -4.2956 -4.2956 -2.8736 -2.8736 -2.4675 -2.4675 -2.3938 -2.3938 -2.2951 -2.2951 -2.1866 -2.1866 -1.2616 -1.2616 -0.0429 -0.0429 -0.0118 -0.0118 1.7054 1.7054 1.8953 1.8953 2.5123 2.5123 3.1445 3.1445 3.3389 3.3389 4.1301 4.1301 7.9437 7.9437 8.4756 8.4756 8.7607 8.7607 9.4149 9.4149 9.6948 9.6948 10.0609 10.0609 k =-0.0487 0.0408 0.0635 ( 4869 PWs) bands (ev): -18.3349 -18.3349 -18.2588 -18.2588 -14.0352 -14.0352 -14.0347 -14.0347 -6.5686 -6.5686 -6.5532 -6.5532 -6.5497 -6.5497 -6.5398 -6.5398 -4.5129 -4.5129 -4.4444 -4.4444 -4.4274 -4.4274 -4.3644 -4.3644 -4.3204 -4.3204 -4.2950 -4.2950 -2.8677 -2.8677 -2.4624 -2.4624 -2.3877 -2.3877 -2.3153 -2.3153 -2.1887 -2.1887 -1.2646 -1.2646 -0.0304 -0.0304 0.0004 0.0004 1.7402 1.7402 1.8929 1.8929 2.4872 2.4872 3.1330 3.1330 3.2915 3.2915 4.1488 4.1488 7.9451 7.9451 8.5158 8.5158 8.7574 8.7574 9.4436 9.4436 9.7325 9.7325 10.0275 10.0275 k =-0.0389 0.0326 0.0508 ( 4871 PWs) bands (ev): -18.3353 -18.3353 -18.2584 -18.2584 -14.0351 -14.0351 -14.0347 -14.0347 -6.5685 -6.5685 -6.5531 -6.5531 -6.5501 -6.5501 -6.5398 -6.5398 -4.5136 -4.5136 -4.4444 -4.4444 -4.4280 -4.4280 -4.3644 -4.3644 -4.3205 -4.3205 -4.2946 -4.2946 -2.8623 -2.8623 -2.4582 -2.4582 -2.3833 -2.3833 -2.3317 -2.3317 -2.1904 -2.1904 -1.2671 -1.2671 -0.0202 -0.0202 0.0107 0.0107 1.7714 1.7714 1.8905 1.8905 2.4663 2.4663 3.1207 3.1207 3.2529 3.2529 4.1650 4.1650 7.9456 7.9456 8.5545 8.5545 8.7509 8.7509 9.4646 9.4646 9.7768 9.7768 10.0003 10.0003 k =-0.0292 0.0245 0.0381 ( 4879 PWs) bands (ev): -18.3356 -18.3356 -18.2582 -18.2582 -14.0351 -14.0351 -14.0347 -14.0347 -6.5685 -6.5685 -6.5529 -6.5529 -6.5505 -6.5505 -6.5399 -6.5399 -4.5142 -4.5142 -4.4444 -4.4444 -4.4284 -4.4284 -4.3644 -4.3644 -4.3205 -4.3205 -4.2942 -4.2942 -2.8576 -2.8576 -2.4550 -2.4550 -2.3812 -2.3812 -2.3436 -2.3436 -2.1917 -2.1917 -1.2691 -1.2691 -0.0122 -0.0122 0.0189 0.0189 1.7975 1.7975 1.8882 1.8882 2.4497 2.4497 3.1077 3.1077 3.2244 3.2244 4.1780 4.1780 7.9457 7.9457 8.5909 8.5909 8.7409 8.7409 9.4789 9.4789 9.8245 9.8245 9.9814 9.9814 k =-0.0195 0.0163 0.0254 ( 4881 PWs) bands (ev): -18.3358 -18.3358 -18.2580 -18.2580 -14.0351 -14.0351 -14.0346 -14.0346 -6.5685 -6.5685 -6.5528 -6.5528 -6.5509 -6.5509 -6.5399 -6.5399 -4.5146 -4.5146 -4.4444 -4.4444 -4.4288 -4.4288 -4.3644 -4.3644 -4.3206 -4.3206 -4.2940 -4.2940 -2.8540 -2.8540 -2.4527 -2.4527 -2.3814 -2.3814 -2.3506 -2.3506 -2.1926 -2.1926 -1.2705 -1.2705 -0.0064 -0.0064 0.0248 0.0248 1.8174 1.8174 1.8865 1.8865 2.4377 2.4377 3.0955 3.0955 3.2057 3.2057 4.1875 4.1875 7.9456 7.9456 8.6242 8.6242 8.7272 8.7272 9.4877 9.4877 9.8682 9.8682 9.9754 9.9754 k =-0.0097 0.0082 0.0127 ( 4887 PWs) bands (ev): -18.3359 -18.3359 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5527 -6.5527 -6.5511 -6.5511 -6.5399 -6.5399 -4.5148 -4.5148 -4.4444 -4.4444 -4.4290 -4.4290 -4.3644 -4.3644 -4.3206 -4.3206 -4.2938 -4.2938 -2.8518 -2.8518 -2.4514 -2.4514 -2.3829 -2.3829 -2.3536 -2.3536 -2.1932 -2.1932 -1.2714 -1.2714 -0.0030 -0.0030 0.0284 0.0284 1.8299 1.8299 1.8853 1.8853 2.4304 2.4304 3.0866 3.0866 3.1955 3.1955 4.1934 4.1934 7.9455 7.9455 8.6529 8.6529 8.7107 8.7107 9.4925 9.4925 9.8943 9.8943 9.9895 9.9895 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -18.3360 -18.3360 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5526 -6.5526 -6.5512 -6.5512 -6.5399 -6.5399 -4.5149 -4.5149 -4.4444 -4.4444 -4.4291 -4.4291 -4.3644 -4.3644 -4.3206 -4.3206 -4.2938 -4.2938 -2.8510 -2.8510 -2.4509 -2.4509 -2.3836 -2.3836 -2.3544 -2.3544 -2.1934 -2.1934 -1.2717 -1.2717 -0.0018 -0.0018 0.0297 0.0297 1.8341 1.8341 1.8849 1.8849 2.4280 2.4280 3.0833 3.0833 3.1924 3.1924 4.1954 4.1954 7.9454 7.9454 8.6689 8.6689 8.6987 8.6987 9.4940 9.4940 9.9007 9.9007 10.0047 10.0047 k = 0.0000 0.0000 0.0000 ( 4887 PWs) bands (ev): -18.3360 -18.3360 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5526 -6.5526 -6.5512 -6.5512 -6.5399 -6.5399 -4.5149 -4.5149 -4.4444 -4.4444 -4.4291 -4.4291 -4.3644 -4.3644 -4.3206 -4.3206 -4.2938 -4.2938 -2.8510 -2.8510 -2.4509 -2.4509 -2.3836 -2.3836 -2.3544 -2.3544 -2.1934 -2.1934 -1.2717 -1.2717 -0.0018 -0.0018 0.0297 0.0297 1.8341 1.8341 1.8849 1.8849 2.4280 2.4280 3.0833 3.0833 3.1924 3.1924 4.1954 4.1954 7.9454 7.9454 8.6689 8.6689 8.6987 8.6987 9.4940 9.4940 9.9007 9.9007 10.0047 10.0047 k = 0.0116 0.0139 0.0000 ( 4887 PWs) bands (ev): -18.3359 -18.3359 -18.2579 -18.2579 -14.0351 -14.0351 -14.0346 -14.0346 -6.5684 -6.5684 -6.5526 -6.5526 -6.5512 -6.5512 -6.5399 -6.5399 -4.5147 -4.5147 -4.4442 -4.4442 -4.4290 -4.4290 -4.3643 -4.3643 -4.3208 -4.3208 -4.2940 -4.2940 -2.8509 -2.8509 -2.4505 -2.4505 -2.3837 -2.3837 -2.3544 -2.3544 -2.1935 -2.1935 -1.2717 -1.2717 -0.0024 -0.0024 0.0291 0.0291 1.8154 1.8154 1.8846 1.8846 2.4476 2.4476 3.0847 3.0847 3.1934 3.1934 4.1954 4.1954 7.9463 7.9463 8.6701 8.6701 8.6987 8.6987 9.4929 9.4929 9.9016 9.9016 10.0033 10.0033 k = 0.0233 0.0278 0.0000 ( 4883 PWs) bands (ev): -18.3358 -18.3358 -18.2581 -18.2581 -14.0351 -14.0351 -14.0346 -14.0346 -6.5682 -6.5682 -6.5527 -6.5527 -6.5510 -6.5510 -6.5399 -6.5399 -4.5140 -4.5140 -4.4438 -4.4438 -4.4288 -4.4288 -4.3642 -4.3642 -4.3213 -4.3213 -4.2945 -4.2945 -2.8507 -2.8507 -2.4492 -2.4492 -2.3839 -2.3839 -2.3546 -2.3546 -2.1935 -2.1935 -1.2717 -1.2717 -0.0040 -0.0040 0.0276 0.0276 1.7652 1.7652 1.8837 1.8837 2.5005 2.5005 3.0889 3.0889 3.1964 3.1964 4.1953 4.1953 7.9490 7.9490 8.6736 8.6736 8.6988 8.6988 9.4897 9.4897 9.9043 9.9043 9.9989 9.9989 k = 0.0349 0.0417 0.0000 ( 4891 PWs) bands (ev): -18.3355 -18.3355 -18.2583 -18.2583 -14.0351 -14.0351 -14.0347 -14.0347 -6.5679 -6.5679 -6.5527 -6.5527 -6.5507 -6.5507 -6.5400 -6.5400 -4.5129 -4.5129 -4.4432 -4.4432 -4.4285 -4.4285 -4.3640 -4.3640 -4.3222 -4.3222 -4.2954 -4.2954 -2.8504 -2.8504 -2.4471 -2.4471 -2.3843 -2.3843 -2.3548 -2.3548 -2.1937 -2.1937 -1.2717 -1.2717 -0.0068 -0.0068 0.0250 0.0250 1.6951 1.6951 1.8823 1.8823 2.5749 2.5749 3.0960 3.0960 3.2013 3.2013 4.1953 4.1953 7.9536 7.9536 8.6794 8.6794 8.6989 8.6989 9.4842 9.4842 9.9089 9.9089 9.9918 9.9918 k = 0.0465 0.0556 0.0000 ( 4891 PWs) bands (ev): -18.3351 -18.3351 -18.2586 -18.2586 -14.0351 -14.0351 -14.0347 -14.0347 -6.5674 -6.5674 -6.5528 -6.5528 -6.5504 -6.5504 -6.5400 -6.5400 -4.5114 -4.5114 -4.4422 -4.4422 -4.4280 -4.4280 -4.3637 -4.3637 -4.3235 -4.3235 -4.2966 -4.2966 -2.8500 -2.8500 -2.4441 -2.4441 -2.3848 -2.3848 -2.3552 -2.3552 -2.1938 -2.1938 -1.2716 -1.2716 -0.0106 -0.0106 0.0214 0.0214 1.6141 1.6141 1.8802 1.8802 2.6615 2.6615 3.1062 3.1062 3.2082 3.2082 4.1953 4.1953 7.9599 7.9599 8.6876 8.6876 8.6988 8.6988 9.4765 9.4765 9.9157 9.9157 9.9819 9.9819 k = 0.0581 0.0694 0.0000 ( 4867 PWs) bands (ev): -18.3346 -18.3346 -18.2591 -18.2591 -14.0351 -14.0351 -14.0347 -14.0347 -6.5668 -6.5668 -6.5528 -6.5528 -6.5500 -6.5500 -6.5401 -6.5401 -4.5094 -4.5094 -4.4410 -4.4410 -4.4274 -4.4274 -4.3634 -4.3634 -4.3250 -4.3250 -4.2980 -4.2980 -2.8495 -2.8495 -2.4402 -2.4402 -2.3854 -2.3854 -2.3556 -2.3556 -2.1938 -2.1938 -1.2716 -1.2716 -0.0154 -0.0154 0.0168 0.0168 1.5275 1.5275 1.8775 1.8775 2.7544 2.7544 3.1202 3.1202 3.2171 3.2171 4.1953 4.1953 7.9679 7.9679 8.6981 8.6981 8.6985 8.6985 9.4667 9.4667 9.9249 9.9249 9.9694 9.9694 k = 0.0698 0.0833 0.0000 ( 4859 PWs) bands (ev): -18.3341 -18.3341 -18.2596 -18.2596 -14.0352 -14.0352 -14.0347 -14.0347 -6.5662 -6.5662 -6.5528 -6.5528 -6.5495 -6.5495 -6.5401 -6.5401 -4.5070 -4.5070 -4.4395 -4.4395 -4.4268 -4.4268 -4.3629 -4.3629 -4.3269 -4.3269 -4.2999 -4.2999 -2.8489 -2.8489 -2.4355 -2.4355 -2.3862 -2.3862 -2.3562 -2.3562 -2.1938 -2.1938 -1.2716 -1.2716 -0.0212 -0.0212 0.0113 0.0113 1.4382 1.4382 1.8743 1.8743 2.8492 2.8492 3.1388 3.1388 3.2277 3.2277 4.1953 4.1953 7.9775 7.9775 8.6977 8.6977 8.7108 8.7108 9.4546 9.4546 9.9368 9.9368 9.9544 9.9544 k = 0.0814 0.0972 0.0000 ( 4867 PWs) bands (ev): -18.3334 -18.3334 -18.2602 -18.2602 -14.0352 -14.0352 -14.0348 -14.0348 -6.5654 -6.5654 -6.5528 -6.5528 -6.5490 -6.5490 -6.5402 -6.5402 -4.5043 -4.5043 -4.4378 -4.4378 -4.4260 -4.4260 -4.3624 -4.3624 -4.3291 -4.3291 -4.3020 -4.3020 -2.8484 -2.8484 -2.4301 -2.4301 -2.3872 -2.3872 -2.3569 -2.3569 -2.1934 -2.1934 -1.2715 -1.2715 -0.0279 -0.0279 0.0049 0.0049 1.3480 1.3480 1.8704 1.8704 2.9415 2.9415 3.1648 3.1648 3.2400 3.2400 4.1952 4.1952 7.9888 7.9888 8.6963 8.6963 8.7258 8.7258 9.4403 9.4403 9.9371 9.9371 9.9517 9.9517 k = 0.0930 0.1111 0.0000 ( 4891 PWs) bands (ev): -18.3326 -18.3326 -18.2609 -18.2609 -14.0353 -14.0353 -14.0349 -14.0349 -6.5646 -6.5646 -6.5529 -6.5529 -6.5484 -6.5484 -6.5403 -6.5403 -4.5012 -4.5012 -4.4360 -4.4360 -4.4251 -4.4251 -4.3619 -4.3619 -4.3317 -4.3317 -4.3044 -4.3044 -2.8480 -2.8480 -2.4239 -2.4239 -2.3883 -2.3883 -2.3577 -2.3577 -2.1929 -2.1929 -1.2715 -1.2715 -0.0354 -0.0354 -0.0023 -0.0023 1.2580 1.2580 1.8660 1.8660 3.0241 3.0241 3.2040 3.2040 3.2539 3.2539 4.1951 4.1951 8.0015 8.0015 8.6941 8.6941 8.7431 8.7431 9.4238 9.4238 9.9176 9.9176 9.9702 9.9702 k = 0.1047 0.1250 0.0000 ( 4887 PWs) bands (ev): -18.3318 -18.3318 -18.2616 -18.2616 -14.0354 -14.0354 -14.0349 -14.0349 -6.5637 -6.5637 -6.5529 -6.5529 -6.5478 -6.5478 -6.5405 -6.5405 -4.4976 -4.4976 -4.4338 -4.4338 -4.4241 -4.4241 -4.3613 -4.3613 -4.3344 -4.3344 -4.3071 -4.3071 -2.8477 -2.8477 -2.4170 -2.4170 -2.3896 -2.3896 -2.3585 -2.3585 -2.1918 -2.1918 -1.2714 -1.2714 -0.0437 -0.0437 -0.0102 -0.0102 1.1689 1.1689 1.8610 1.8610 3.0879 3.0879 3.2645 3.2645 3.2695 3.2695 4.1950 4.1950 8.0155 8.0155 8.6908 8.6908 8.7626 8.7626 9.4051 9.4051 9.8963 9.8963 9.9926 9.9926 k = 0.1163 0.1389 0.0000 ( 4859 PWs) bands (ev): -18.3308 -18.3308 -18.2625 -18.2625 -14.0354 -14.0354 -14.0350 -14.0350 -6.5627 -6.5627 -6.5528 -6.5528 -6.5471 -6.5471 -6.5406 -6.5406 -4.4937 -4.4937 -4.4315 -4.4315 -4.4230 -4.4230 -4.3606 -4.3606 -4.3374 -4.3374 -4.3099 -4.3099 -2.8476 -2.8476 -2.4095 -2.4095 -2.3910 -2.3910 -2.3593 -2.3593 -2.1901 -2.1901 -1.2713 -1.2713 -0.0527 -0.0527 -0.0188 -0.0188 1.0810 1.0810 1.8554 1.8554 3.1325 3.1325 3.2864 3.2864 3.3462 3.3462 4.1950 4.1950 8.0308 8.0308 8.6864 8.6864 8.7843 8.7843 9.3843 9.3843 9.8732 9.8732 10.0193 10.0193 k = 0.1279 0.1528 0.0000 ( 4863 PWs) bands (ev): -18.3298 -18.3298 -18.2634 -18.2634 -14.0355 -14.0355 -14.0351 -14.0351 -6.5617 -6.5617 -6.5528 -6.5528 -6.5463 -6.5463 -6.5408 -6.5408 -4.4895 -4.4895 -4.4290 -4.4290 -4.4219 -4.4219 -4.3599 -4.3599 -4.3407 -4.3407 -4.3130 -4.3130 -2.8478 -2.8478 -2.4015 -2.4015 -2.3926 -2.3926 -2.3601 -2.3601 -2.1879 -2.1879 -1.2712 -1.2712 -0.0623 -0.0623 -0.0280 -0.0280 0.9948 0.9948 1.8491 1.8491 3.1661 3.1661 3.3046 3.3046 3.4399 3.4399 4.1949 4.1949 8.0470 8.0470 8.6805 8.6805 8.8082 8.8082 9.3614 9.3614 9.8487 9.8487 10.0333 10.0333 k = 0.1395 0.1667 0.0000 ( 4871 PWs) bands (ev): -18.3287 -18.3287 -18.2644 -18.2644 -14.0356 -14.0356 -14.0352 -14.0352 -6.5607 -6.5607 -6.5528 -6.5528 -6.5455 -6.5455 -6.5410 -6.5410 -4.4850 -4.4850 -4.4264 -4.4264 -4.4206 -4.4206 -4.3592 -4.3592 -4.3441 -4.3441 -4.3161 -4.3161 -2.8483 -2.8483 -2.3944 -2.3944 -2.3934 -2.3934 -2.3606 -2.3606 -2.1849 -2.1849 -1.2712 -1.2712 -0.0725 -0.0725 -0.0377 -0.0377 0.9106 0.9106 1.8424 1.8424 3.1953 3.1953 3.3240 3.3240 3.5386 3.5386 4.1948 4.1948 8.0639 8.0639 8.6733 8.6733 8.8341 8.8341 9.3366 9.3366 9.8229 9.8229 10.0151 10.0151 k = 0.1512 0.1806 0.0000 ( 4871 PWs) bands (ev): -18.3275 -18.3275 -18.2654 -18.2654 -14.0357 -14.0357 -14.0353 -14.0353 -6.5596 -6.5596 -6.5528 -6.5528 -6.5447 -6.5447 -6.5412 -6.5412 -4.4803 -4.4803 -4.4237 -4.4237 -4.4194 -4.4194 -4.3585 -4.3585 -4.3477 -4.3477 -4.3194 -4.3194 -2.8491 -2.8491 -2.3963 -2.3963 -2.3856 -2.3856 -2.3602 -2.3602 -2.1811 -2.1811 -1.2711 -1.2711 -0.0830 -0.0830 -0.0479 -0.0479 0.8284 0.8284 1.8350 1.8350 3.2230 3.2230 3.3444 3.3444 3.6390 3.6390 4.1947 4.1947 8.0812 8.0812 8.6645 8.6645 8.8621 8.8621 9.3102 9.3102 9.7962 9.7962 9.9960 9.9960 k = 0.1628 0.1944 0.0000 ( 4867 PWs) bands (ev): -18.3262 -18.3262 -18.2665 -18.2665 -14.0358 -14.0358 -14.0354 -14.0354 -6.5586 -6.5586 -6.5527 -6.5527 -6.5439 -6.5439 -6.5414 -6.5414 -4.4752 -4.4752 -4.4209 -4.4209 -4.4180 -4.4180 -4.3579 -4.3579 -4.3514 -4.3514 -4.3227 -4.3227 -2.8504 -2.8504 -2.3984 -2.3984 -2.3796 -2.3796 -2.3576 -2.3576 -2.1764 -2.1764 -1.2710 -1.2710 -0.0940 -0.0940 -0.0584 -0.0584 0.7485 0.7485 1.8271 1.8271 3.2501 3.2501 3.3657 3.3657 3.7394 3.7394 4.1946 4.1946 8.0985 8.0985 8.6542 8.6542 8.8921 8.8921 9.2824 9.2824 9.7688 9.7688 9.9763 9.9763 k = 0.1744 0.2083 0.0000 ( 4851 PWs) bands (ev): -18.3249 -18.3249 -18.2677 -18.2677 -14.0359 -14.0359 -14.0355 -14.0355 -6.5576 -6.5576 -6.5527 -6.5527 -6.5429 -6.5429 -6.5415 -6.5415 -4.4700 -4.4700 -4.4180 -4.4180 -4.4167 -4.4167 -4.3573 -4.3573 -4.3552 -4.3552 -4.3260 -4.3260 -2.8521 -2.8521 -2.4007 -2.4007 -2.3768 -2.3768 -2.3514 -2.3514 -2.1706 -2.1706 -1.2709 -1.2709 -0.1052 -0.1052 -0.0692 -0.0692 0.6709 0.6709 1.8186 1.8186 3.2773 3.2773 3.3879 3.3879 3.8389 3.8389 4.1945 4.1945 8.1153 8.1153 8.6424 8.6424 8.9240 8.9240 9.2537 9.2537 9.7410 9.7410 9.9560 9.9560 k = 0.1860 0.2222 0.0000 ( 4851 PWs) bands (ev): -18.3236 -18.3236 -18.2688 -18.2688 -14.0360 -14.0360 -14.0355 -14.0355 -6.5567 -6.5567 -6.5527 -6.5527 -6.5420 -6.5420 -6.5417 -6.5417 -4.4646 -4.4646 -4.4153 -4.4153 -4.4151 -4.4151 -4.3591 -4.3591 -4.3568 -4.3568 -4.3292 -4.3292 -2.8544 -2.8544 -2.4031 -2.4031 -2.3767 -2.3767 -2.3422 -2.3422 -2.1637 -2.1637 -1.2708 -1.2708 -0.1165 -0.1165 -0.0803 -0.0803 0.5959 0.5959 1.8095 1.8095 3.3046 3.3046 3.4106 3.4106 3.9368 3.9368 4.1943 4.1943 8.1310 8.1310 8.6292 8.6292 8.9576 8.9576 9.2248 9.2248 9.7130 9.7130 9.9352 9.9352 k = 0.1977 0.2361 0.0000 ( 4851 PWs) bands (ev): -18.3222 -18.3222 -18.2701 -18.2701 -14.0361 -14.0361 -14.0357 -14.0357 -6.5559 -6.5559 -6.5527 -6.5527 -6.5419 -6.5419 -6.5411 -6.5411 -4.4591 -4.4591 -4.4139 -4.4139 -4.4122 -4.4122 -4.3629 -4.3629 -4.3565 -4.3565 -4.3320 -4.3320 -2.8571 -2.8571 -2.4057 -2.4057 -2.3779 -2.3779 -2.3314 -2.3314 -2.1557 -2.1557 -1.2707 -1.2707 -0.1280 -0.1280 -0.0914 -0.0914 0.5233 0.5233 1.8000 1.8000 3.3322 3.3322 3.4338 3.4338 4.0328 4.0328 4.1942 4.1942 8.1449 8.1449 8.6147 8.6147 8.9929 8.9929 9.1964 9.1964 9.6852 9.6852 9.9140 9.9140 k = 0.2093 0.2500 0.0000 ( 4843 PWs) bands (ev): -18.3208 -18.3208 -18.2713 -18.2713 -14.0363 -14.0363 -14.0358 -14.0358 -6.5552 -6.5552 -6.5526 -6.5526 -6.5420 -6.5420 -6.5401 -6.5401 -4.4536 -4.4536 -4.4125 -4.4125 -4.4095 -4.4095 -4.3667 -4.3667 -4.3565 -4.3565 -4.3345 -4.3345 -2.8603 -2.8603 -2.4084 -2.4084 -2.3797 -2.3797 -2.3197 -2.3197 -2.1465 -2.1465 -1.2706 -1.2706 -0.1396 -0.1396 -0.1027 -0.1027 0.4534 0.4534 1.7900 1.7900 3.3598 3.3598 3.4573 3.4573 4.1263 4.1263 4.1941 4.1941 8.1561 8.1561 8.5989 8.5989 9.0295 9.0295 9.1696 9.1696 9.6580 9.6580 9.8926 9.8926 k = 0.2209 0.2639 0.0000 ( 4847 PWs) bands (ev): -18.3193 -18.3193 -18.2726 -18.2726 -14.0364 -14.0364 -14.0359 -14.0359 -6.5547 -6.5547 -6.5526 -6.5526 -6.5420 -6.5420 -6.5392 -6.5392 -4.4481 -4.4481 -4.4112 -4.4112 -4.4070 -4.4070 -4.3703 -4.3703 -4.3569 -4.3569 -4.3364 -4.3364 -2.8641 -2.8641 -2.4112 -2.4112 -2.3820 -2.3820 -2.3075 -2.3075 -2.1362 -2.1362 -1.2705 -1.2705 -0.1511 -0.1511 -0.1139 -0.1139 0.3862 0.3862 1.7795 1.7795 3.3875 3.3875 3.4810 3.4810 4.1940 4.1940 4.2172 4.2172 8.1637 8.1637 8.5821 8.5821 9.0672 9.0672 9.1455 9.1455 9.6317 9.6317 9.8711 9.8711 k = 0.2326 0.2778 0.0000 ( 4847 PWs) bands (ev): -18.3178 -18.3178 -18.2739 -18.2739 -14.0365 -14.0365 -14.0360 -14.0360 -6.5543 -6.5543 -6.5526 -6.5526 -6.5419 -6.5419 -6.5382 -6.5382 -4.4427 -4.4427 -4.4098 -4.4098 -4.4048 -4.4048 -4.3735 -4.3735 -4.3578 -4.3578 -4.3375 -4.3375 -2.8683 -2.8683 -2.4142 -2.4142 -2.3845 -2.3845 -2.2949 -2.2949 -2.1248 -2.1248 -1.2704 -1.2704 -0.1625 -0.1625 -0.1250 -0.1250 0.3216 0.3216 1.7686 1.7686 3.4152 3.4152 3.5048 3.5048 4.1938 4.1938 4.3052 4.3052 8.1668 8.1668 8.5642 8.5642 9.1055 9.1055 9.1255 9.1255 9.6070 9.6070 9.8497 9.8497 k = 0.2442 0.2917 0.0000 ( 4855 PWs) bands (ev): -18.3163 -18.3163 -18.2752 -18.2752 -14.0366 -14.0366 -14.0361 -14.0361 -6.5542 -6.5542 -6.5525 -6.5525 -6.5418 -6.5418 -6.5372 -6.5372 -4.4375 -4.4375 -4.4084 -4.4084 -4.4032 -4.4032 -4.3762 -4.3762 -4.3591 -4.3591 -4.3380 -4.3380 -2.8729 -2.8729 -2.4172 -2.4172 -2.3873 -2.3873 -2.2820 -2.2820 -2.1123 -2.1123 -1.2703 -1.2703 -0.1737 -0.1737 -0.1361 -0.1361 0.2598 0.2598 1.7573 1.7573 3.4427 3.4427 3.5286 3.5286 4.1937 4.1937 4.3901 4.3901 8.1643 8.1643 8.5452 8.5452 9.1110 9.1110 9.1436 9.1436 9.5847 9.5847 9.8283 9.8283 k = 0.2558 0.3056 0.0000 ( 4863 PWs) bands (ev): -18.3149 -18.3149 -18.2765 -18.2765 -14.0367 -14.0367 -14.0362 -14.0362 -6.5544 -6.5544 -6.5525 -6.5525 -6.5415 -6.5415 -6.5362 -6.5362 -4.4329 -4.4329 -4.4069 -4.4069 -4.4025 -4.4025 -4.3780 -4.3780 -4.3606 -4.3606 -4.3378 -4.3378 -2.8779 -2.8779 -2.4204 -2.4204 -2.3902 -2.3902 -2.2689 -2.2689 -2.0987 -2.0987 -1.2702 -1.2702 -0.1847 -0.1847 -0.1469 -0.1469 0.2007 0.2007 1.7456 1.7456 3.4700 3.4700 3.5521 3.5521 4.1936 4.1936 4.4716 4.4716 8.1557 8.1557 8.5254 8.5254 9.1033 9.1033 9.1806 9.1806 9.5658 9.5658 9.8072 9.8072 k = 0.2674 0.3194 0.0000 ( 4863 PWs) bands (ev): -18.3134 -18.3134 -18.2778 -18.2778 -14.0369 -14.0369 -14.0364 -14.0364 -6.5547 -6.5547 -6.5525 -6.5525 -6.5411 -6.5411 -6.5352 -6.5352 -4.4289 -4.4289 -4.4051 -4.4051 -4.4028 -4.4028 -4.3788 -4.3788 -4.3622 -4.3622 -4.3371 -4.3371 -2.8833 -2.8833 -2.4236 -2.4236 -2.3933 -2.3933 -2.2558 -2.2558 -2.0843 -2.0843 -1.2701 -1.2701 -0.1955 -0.1955 -0.1575 -0.1575 0.1445 0.1445 1.7337 1.7337 3.4968 3.4968 3.5753 3.5753 4.1934 4.1934 4.5496 4.5496 8.1404 8.1404 8.5047 8.5047 9.1032 9.1032 9.2148 9.2148 9.5522 9.5522 9.7865 9.7865 k = 0.2791 0.3333 0.0000 ( 4871 PWs) bands (ev): -18.3119 -18.3119 -18.2791 -18.2791 -14.0370 -14.0370 -14.0365 -14.0365 -6.5551 -6.5551 -6.5525 -6.5525 -6.5406 -6.5406 -6.5343 -6.5343 -4.4259 -4.4259 -4.4041 -4.4041 -4.4028 -4.4028 -4.3786 -4.3786 -4.3637 -4.3637 -4.3360 -4.3360 -2.8889 -2.8889 -2.4269 -2.4269 -2.3965 -2.3965 -2.2426 -2.2426 -2.0690 -2.0690 -1.2700 -1.2700 -0.2059 -0.2059 -0.1678 -0.1678 0.0910 0.0910 1.7215 1.7215 3.5231 3.5231 3.5981 3.5981 4.1933 4.1933 4.6240 4.6240 8.1186 8.1186 8.4835 8.4835 9.1111 9.1111 9.2438 9.2438 9.5462 9.5462 9.7662 9.7662 k = 0.2907 0.3472 0.0000 ( 4843 PWs) bands (ev): -18.3104 -18.3104 -18.2804 -18.2804 -14.0371 -14.0371 -14.0366 -14.0366 -6.5557 -6.5557 -6.5525 -6.5525 -6.5401 -6.5401 -6.5333 -6.5333 -4.4241 -4.4241 -4.4062 -4.4062 -4.3998 -4.3998 -4.3775 -4.3775 -4.3649 -4.3649 -4.3346 -4.3346 -2.8946 -2.8946 -2.4301 -2.4301 -2.3997 -2.3997 -2.2294 -2.2294 -2.0530 -2.0530 -1.2699 -1.2699 -0.2159 -0.2159 -0.1777 -0.1777 0.0403 0.0403 1.7091 1.7091 3.5488 3.5488 3.6204 3.6204 4.1932 4.1932 4.6947 4.6947 8.0905 8.0905 8.4619 8.4619 9.1271 9.1271 9.2649 9.2649 9.5505 9.5505 9.7466 9.7466 k = 0.3023 0.3611 0.0000 ( 4843 PWs) bands (ev): -18.3090 -18.3090 -18.2816 -18.2816 -14.0372 -14.0372 -14.0367 -14.0367 -6.5564 -6.5564 -6.5525 -6.5525 -6.5396 -6.5396 -6.5324 -6.5324 -4.4234 -4.4234 -4.4088 -4.4088 -4.3965 -4.3965 -4.3760 -4.3760 -4.3658 -4.3658 -4.3329 -4.3329 -2.9005 -2.9005 -2.4334 -2.4334 -2.4030 -2.4030 -2.2165 -2.2165 -2.0365 -2.0365 -1.2698 -1.2698 -0.2256 -0.2256 -0.1873 -0.1873 -0.0076 -0.0076 1.6967 1.6967 3.5737 3.5737 3.6420 3.6420 4.1930 4.1930 4.7616 4.7616 8.0570 8.0570 8.4404 8.4404 9.1508 9.1508 9.2762 9.2762 9.5671 9.5671 9.7275 9.7275 k = 0.3140 0.3750 0.0000 ( 4847 PWs) bands (ev): -18.3076 -18.3076 -18.2829 -18.2829 -14.0373 -14.0373 -14.0368 -14.0368 -6.5572 -6.5572 -6.5525 -6.5525 -6.5391 -6.5391 -6.5315 -6.5315 -4.4236 -4.4236 -4.4116 -4.4116 -4.3928 -4.3928 -4.3743 -4.3743 -4.3664 -4.3664 -4.3309 -4.3309 -2.9064 -2.9064 -2.4367 -2.4367 -2.4064 -2.4064 -2.2038 -2.2038 -2.0196 -2.0196 -1.2697 -1.2697 -0.2348 -0.2348 -0.1964 -0.1964 -0.0527 -0.0527 1.6842 1.6842 3.5978 3.5978 3.6628 3.6628 4.1929 4.1929 4.8246 4.8246 8.0191 8.0191 8.4192 8.4192 9.1815 9.1815 9.2781 9.2781 9.5954 9.5954 9.7090 9.7090 k = 0.3256 0.3889 0.0000 ( 4855 PWs) bands (ev): -18.3062 -18.3062 -18.2840 -18.2840 -14.0374 -14.0374 -14.0369 -14.0369 -6.5581 -6.5581 -6.5525 -6.5525 -6.5386 -6.5386 -6.5306 -6.5306 -4.4245 -4.4245 -4.4145 -4.4145 -4.3890 -4.3890 -4.3724 -4.3724 -4.3666 -4.3666 -4.3288 -4.3288 -2.9123 -2.9123 -2.4400 -2.4400 -2.4098 -2.4098 -2.1914 -2.1914 -2.0024 -2.0024 -1.2697 -1.2697 -0.2436 -0.2436 -0.2052 -0.2052 -0.0949 -0.0949 1.6717 1.6717 3.6208 3.6208 3.6828 3.6828 4.1928 4.1928 4.8837 4.8837 7.9777 7.9777 8.3986 8.3986 9.2184 9.2184 9.2728 9.2728 9.6330 9.6330 9.6914 9.6914 k = 0.3372 0.4028 0.0000 ( 4855 PWs) bands (ev): -18.3049 -18.3049 -18.2852 -18.2852 -14.0376 -14.0376 -14.0370 -14.0370 -6.5590 -6.5590 -6.5525 -6.5525 -6.5381 -6.5381 -6.5298 -6.5298 -4.4259 -4.4259 -4.4174 -4.4174 -4.3854 -4.3854 -4.3706 -4.3706 -4.3666 -4.3666 -4.3264 -4.3264 -2.9182 -2.9182 -2.4432 -2.4432 -2.4131 -2.4131 -2.1794 -2.1794 -1.9852 -1.9852 -1.2696 -1.2696 -0.2519 -0.2519 -0.2134 -0.2134 -0.1344 -0.1344 1.6594 1.6594 3.6428 3.6428 3.7019 3.7019 4.1927 4.1927 4.9389 4.9389 7.9342 7.9342 8.3788 8.3788 9.2608 9.2608 9.2631 9.2631 9.6723 9.6723 9.6796 9.6796 k = 0.3488 0.4167 0.0000 ( 4855 PWs) bands (ev): -18.3037 -18.3037 -18.2863 -18.2863 -14.0377 -14.0377 -14.0371 -14.0371 -6.5600 -6.5600 -6.5525 -6.5525 -6.5376 -6.5376 -6.5290 -6.5290 -4.4276 -4.4276 -4.4202 -4.4202 -4.3819 -4.3819 -4.3688 -4.3688 -4.3664 -4.3664 -4.3239 -4.3239 -2.9238 -2.9238 -2.4463 -2.4463 -2.4164 -2.4164 -2.1678 -2.1678 -1.9680 -1.9680 -1.2695 -1.2695 -0.2597 -0.2597 -0.2212 -0.2212 -0.1711 -0.1711 1.6474 1.6474 3.6637 3.6637 3.7200 3.7200 4.1926 4.1926 4.9901 4.9901 7.8894 7.8894 8.3599 8.3599 9.2510 9.2510 9.3080 9.3080 9.6583 9.6583 9.7266 9.7266 k = 0.3605 0.4306 0.0000 ( 4855 PWs) bands (ev): -18.3025 -18.3025 -18.2873 -18.2873 -14.0378 -14.0378 -14.0372 -14.0372 -6.5609 -6.5609 -6.5525 -6.5525 -6.5372 -6.5372 -6.5282 -6.5282 -4.4295 -4.4295 -4.4229 -4.4229 -4.3788 -4.3788 -4.3671 -4.3671 -4.3660 -4.3660 -4.3213 -4.3213 -2.9292 -2.9292 -2.4493 -2.4493 -2.4196 -2.4196 -2.1568 -2.1568 -1.9512 -1.9512 -1.2694 -1.2694 -0.2670 -0.2670 -0.2284 -0.2284 -0.2049 -0.2049 1.6356 1.6356 3.6833 3.6833 3.7370 3.7370 4.1925 4.1925 5.0374 5.0374 7.8446 7.8446 8.3422 8.3422 9.2377 9.2377 9.3593 9.3593 9.6435 9.6435 9.7783 9.7783 k = 0.3721 0.4444 0.0000 ( 4851 PWs) bands (ev): -18.3013 -18.3013 -18.2883 -18.2883 -14.0378 -14.0378 -14.0373 -14.0373 -6.5619 -6.5619 -6.5525 -6.5525 -6.5368 -6.5368 -6.5275 -6.5275 -4.4315 -4.4315 -4.4254 -4.4254 -4.3759 -4.3759 -4.3655 -4.3655 -4.3655 -4.3655 -4.3185 -4.3185 -2.9344 -2.9344 -2.4521 -2.4521 -2.4227 -2.4227 -2.1464 -2.1464 -1.9349 -1.9349 -1.2693 -1.2693 -0.2739 -0.2739 -0.2360 -0.2360 -0.2351 -0.2351 1.6243 1.6243 3.7016 3.7016 3.7528 3.7528 4.1924 4.1924 5.0807 5.0807 7.8005 7.8005 8.3256 8.3256 9.2241 9.2241 9.4143 9.4143 9.6296 9.6296 9.8318 9.8318 k = 0.3837 0.4583 0.0000 ( 4843 PWs) bands (ev): -18.3003 -18.3003 -18.2892 -18.2892 -14.0379 -14.0379 -14.0373 -14.0373 -6.5628 -6.5628 -6.5525 -6.5525 -6.5364 -6.5364 -6.5269 -6.5269 -4.4335 -4.4335 -4.4277 -4.4277 -4.3734 -4.3734 -4.3649 -4.3649 -4.3640 -4.3640 -4.3157 -4.3157 -2.9393 -2.9393 -2.4548 -2.4548 -2.4256 -2.4256 -2.1366 -2.1366 -1.9192 -1.9192 -1.2693 -1.2693 -0.2805 -0.2805 -0.2639 -0.2639 -0.2413 -0.2413 1.6136 1.6136 3.7185 3.7185 3.7675 3.7675 4.1923 4.1923 5.1202 5.1202 7.7580 7.7580 8.3102 8.3102 9.2108 9.2108 9.4725 9.4725 9.6167 9.6167 9.8863 9.8863 k = 0.3953 0.4722 0.0000 ( 4847 PWs) bands (ev): -18.2993 -18.2993 -18.2900 -18.2900 -14.0380 -14.0380 -14.0374 -14.0374 -6.5637 -6.5637 -6.5525 -6.5525 -6.5361 -6.5361 -6.5263 -6.5263 -4.4355 -4.4355 -4.4299 -4.4299 -4.3712 -4.3712 -4.3643 -4.3643 -4.3627 -4.3627 -4.3130 -4.3130 -2.9439 -2.9439 -2.4574 -2.4574 -2.4284 -2.4284 -2.1275 -2.1275 -1.9043 -1.9043 -1.2692 -1.2692 -0.2923 -0.2923 -0.2833 -0.2833 -0.2469 -0.2469 1.6034 1.6034 3.7340 3.7340 3.7809 3.7809 4.1922 4.1922 5.1558 5.1558 7.7177 7.7177 8.2962 8.2962 9.1982 9.1982 9.5333 9.5333 9.6050 9.6050 9.9409 9.9409 k = 0.4070 0.4861 0.0000 ( 4838 PWs) bands (ev): -18.2985 -18.2985 -18.2908 -18.2908 -14.0381 -14.0381 -14.0375 -14.0375 -6.5645 -6.5645 -6.5525 -6.5525 -6.5358 -6.5358 -6.5257 -6.5257 -4.4374 -4.4374 -4.4318 -4.4318 -4.3692 -4.3692 -4.3637 -4.3637 -4.3616 -4.3616 -4.3104 -4.3104 -2.9480 -2.9480 -2.4597 -2.4597 -2.4309 -2.4309 -2.1192 -2.1192 -1.8905 -1.8905 -1.2691 -1.2691 -0.3139 -0.3139 -0.2896 -0.2896 -0.2520 -0.2520 1.5940 1.5940 3.7479 3.7479 3.7930 3.7930 4.1922 4.1922 5.1875 5.1875 7.6802 7.6802 8.2835 8.2835 9.1866 9.1866 9.5944 9.5944 9.5965 9.5965 9.9947 9.9947 k = 0.4186 0.5000 0.0000 ( 4846 PWs) bands (ev): -18.2977 -18.2977 -18.2914 -18.2914 -14.0381 -14.0381 -14.0375 -14.0375 -6.5652 -6.5652 -6.5525 -6.5525 -6.5356 -6.5356 -6.5252 -6.5252 -4.4391 -4.4391 -4.4335 -4.4335 -4.3676 -4.3676 -4.3632 -4.3632 -4.3605 -4.3605 -4.3079 -4.3079 -2.9518 -2.9518 -2.4618 -2.4618 -2.4332 -2.4332 -2.1118 -2.1118 -1.8778 -1.8778 -1.2691 -1.2691 -0.3339 -0.3339 -0.2943 -0.2943 -0.2564 -0.2564 1.5854 1.5854 3.7604 3.7604 3.8038 3.8038 4.1921 4.1921 5.2154 5.2154 7.6461 7.6461 8.2722 8.2722 9.1760 9.1760 9.5849 9.5849 9.6617 9.6617 10.0470 10.0470 k = 0.4302 0.5139 0.0000 ( 4862 PWs) bands (ev): -18.2970 -18.2970 -18.2920 -18.2920 -14.0382 -14.0382 -14.0376 -14.0376 -6.5659 -6.5659 -6.5525 -6.5525 -6.5354 -6.5354 -6.5248 -6.5248 -4.4406 -4.4406 -4.4350 -4.4350 -4.3662 -4.3662 -4.3627 -4.3627 -4.3597 -4.3597 -4.3056 -4.3056 -2.9551 -2.9551 -2.4637 -2.4637 -2.4353 -2.4353 -2.1053 -2.1053 -1.8665 -1.8665 -1.2691 -1.2691 -0.3513 -0.3513 -0.2982 -0.2982 -0.2603 -0.2603 1.5778 1.5778 3.7712 3.7712 3.8131 3.8131 4.1921 4.1921 5.2394 5.2394 7.6156 7.6156 8.2623 8.2623 9.1666 9.1666 9.5766 9.5766 9.7286 9.7286 10.0968 10.0968 k = 0.4419 0.5278 0.0000 ( 4862 PWs) bands (ev): -18.2964 -18.2964 -18.2926 -18.2926 -14.0382 -14.0382 -14.0376 -14.0376 -6.5665 -6.5665 -6.5525 -6.5525 -6.5352 -6.5352 -6.5244 -6.5244 -4.4420 -4.4420 -4.4363 -4.4363 -4.3650 -4.3650 -4.3623 -4.3623 -4.3590 -4.3590 -4.3036 -4.3036 -2.9579 -2.9579 -2.4653 -2.4653 -2.4371 -2.4371 -2.0997 -2.0997 -1.8567 -1.8567 -1.2690 -1.2690 -0.3660 -0.3660 -0.3015 -0.3015 -0.2636 -0.2636 1.5711 1.5711 3.7804 3.7804 3.8211 3.8211 4.1920 4.1920 5.2598 5.2598 7.5894 7.5894 8.2539 8.2539 9.1586 9.1586 9.5696 9.5696 9.7969 9.7969 10.1428 10.1428 k = 0.4535 0.5417 0.0000 ( 4854 PWs) bands (ev): -18.2959 -18.2959 -18.2930 -18.2930 -14.0383 -14.0383 -14.0377 -14.0377 -6.5670 -6.5670 -6.5525 -6.5525 -6.5351 -6.5351 -6.5241 -6.5241 -4.4431 -4.4431 -4.4373 -4.4373 -4.3640 -4.3640 -4.3619 -4.3619 -4.3584 -4.3584 -4.3019 -4.3019 -2.9603 -2.9603 -2.4666 -2.4666 -2.4386 -2.4386 -2.0951 -2.0951 -1.8485 -1.8485 -1.2690 -1.2690 -0.3780 -0.3780 -0.3042 -0.3042 -0.2663 -0.2663 1.5656 1.5656 3.7880 3.7880 3.8277 3.8277 4.1920 4.1920 5.2764 5.2764 7.5675 7.5675 8.2470 8.2470 9.1520 9.1520 9.5639 9.5639 9.8662 9.8662 10.1838 10.1838 k = 0.4651 0.5556 0.0000 ( 4854 PWs) bands (ev): -18.2955 -18.2955 -18.2933 -18.2933 -14.0383 -14.0383 -14.0377 -14.0377 -6.5674 -6.5674 -6.5525 -6.5525 -6.5350 -6.5350 -6.5239 -6.5239 -4.4440 -4.4440 -4.4381 -4.4381 -4.3632 -4.3632 -4.3617 -4.3617 -4.3579 -4.3579 -4.3005 -4.3005 -2.9621 -2.9621 -2.4676 -2.4676 -2.4398 -2.4398 -2.0914 -2.0914 -1.8419 -1.8419 -1.2690 -1.2690 -0.3874 -0.3874 -0.3063 -0.3063 -0.2684 -0.2684 1.5612 1.5612 3.7939 3.7939 3.8328 3.8328 4.1920 4.1920 5.2892 5.2892 7.5502 7.5502 8.2416 8.2416 9.1468 9.1468 9.5594 9.5594 9.9360 9.9360 10.2182 10.2182 k = 0.4767 0.5694 0.0000 ( 4866 PWs) bands (ev): -18.2953 -18.2953 -18.2935 -18.2935 -14.0383 -14.0383 -14.0377 -14.0377 -6.5677 -6.5677 -6.5525 -6.5525 -6.5349 -6.5349 -6.5237 -6.5237 -4.4447 -4.4447 -4.4387 -4.4387 -4.3626 -4.3626 -4.3616 -4.3616 -4.3576 -4.3576 -4.2995 -4.2995 -2.9634 -2.9634 -2.4684 -2.4684 -2.4406 -2.4406 -2.0888 -2.0888 -1.8372 -1.8372 -1.2689 -1.2689 -0.3941 -0.3941 -0.3078 -0.3078 -0.2699 -0.2699 1.5580 1.5580 3.7982 3.7982 3.8365 3.8365 4.1920 4.1920 5.2984 5.2984 7.5377 7.5377 8.2377 8.2377 9.1430 9.1430 9.5561 9.5561 10.0054 10.0054 10.2443 10.2443 k = 0.4884 0.5833 0.0000 ( 4858 PWs) bands (ev): -18.2951 -18.2951 -18.2937 -18.2937 -14.0383 -14.0383 -14.0377 -14.0377 -6.5678 -6.5678 -6.5525 -6.5525 -6.5349 -6.5349 -6.5236 -6.5236 -4.4451 -4.4451 -4.4390 -4.4390 -4.3621 -4.3621 -4.3617 -4.3617 -4.3574 -4.3574 -4.2989 -4.2989 -2.9642 -2.9642 -2.4689 -2.4689 -2.4411 -2.4411 -2.0872 -2.0872 -1.8344 -1.8344 -1.2689 -1.2689 -0.3981 -0.3981 -0.3087 -0.3087 -0.2708 -0.2708 1.5561 1.5561 3.8007 3.8007 3.8387 3.8387 4.1920 4.1920 5.3040 5.3040 7.5302 7.5302 8.2354 8.2354 9.1408 9.1408 9.5542 9.5542 10.0717 10.0717 10.2386 10.2386 k = 0.5000 0.5972 0.0000 ( 4878 PWs) bands (ev): -18.2951 -18.2951 -18.2937 -18.2937 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5525 -6.5525 -6.5349 -6.5349 -6.5237 -6.5237 -4.4452 -4.4452 -4.4392 -4.4392 -4.3619 -4.3619 -4.3618 -4.3618 -4.3573 -4.3573 -4.2988 -4.2988 -2.9645 -2.9645 -2.4691 -2.4691 -2.4413 -2.4413 -2.0868 -2.0868 -1.8334 -1.8334 -1.2689 -1.2689 -0.3995 -0.3995 -0.3090 -0.3090 -0.2711 -0.2711 1.5555 1.5555 3.8016 3.8016 3.8394 3.8394 4.1919 4.1919 5.3058 5.3058 7.5277 7.5277 8.2346 8.2346 9.1400 9.1400 9.5536 9.5536 10.1127 10.1127 10.1979 10.1979 k = 0.5000 0.5972 0.0000 ( 4878 PWs) bands (ev): -18.2951 -18.2951 -18.2937 -18.2937 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5525 -6.5525 -6.5349 -6.5349 -6.5237 -6.5237 -4.4452 -4.4452 -4.4392 -4.4392 -4.3619 -4.3619 -4.3618 -4.3618 -4.3573 -4.3573 -4.2988 -4.2988 -2.9645 -2.9645 -2.4691 -2.4691 -2.4413 -2.4413 -2.0868 -2.0868 -1.8334 -1.8334 -1.2689 -1.2689 -0.3995 -0.3995 -0.3090 -0.3090 -0.2711 -0.2711 1.5555 1.5555 3.8016 3.8016 3.8394 3.8394 4.1919 4.1919 5.3058 5.3058 7.5277 7.5277 8.2346 8.2346 9.1400 9.1400 9.5536 9.5536 10.1127 10.1127 10.1979 10.1979 k = 0.4910 0.6047 0.0117 ( 4856 PWs) bands (ev): -18.2950 -18.2950 -18.2937 -18.2937 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5525 -6.5525 -6.5349 -6.5349 -6.5236 -6.5236 -4.4452 -4.4452 -4.4391 -4.4391 -4.3622 -4.3622 -4.3616 -4.3616 -4.3572 -4.3572 -4.2988 -4.2988 -2.9641 -2.9641 -2.4700 -2.4700 -2.4424 -2.4424 -2.0867 -2.0867 -1.8315 -1.8315 -1.2688 -1.2688 -0.4100 -0.4100 -0.3031 -0.3031 -0.2647 -0.2647 1.5542 1.5542 3.8023 3.8023 3.8402 3.8402 4.1914 4.1914 5.3030 5.3030 7.5261 7.5261 8.2356 8.2356 9.1409 9.1409 9.5503 9.5503 10.1121 10.1121 10.1950 10.1950 k = 0.4821 0.6122 0.0234 ( 4858 PWs) bands (ev): -18.2949 -18.2949 -18.2938 -18.2938 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5524 -6.5524 -6.5349 -6.5349 -6.5237 -6.5237 -4.4454 -4.4454 -4.4390 -4.4390 -4.3625 -4.3625 -4.3613 -4.3613 -4.3570 -4.3570 -4.2989 -4.2989 -2.9631 -2.9631 -2.4731 -2.4731 -2.4457 -2.4457 -2.0867 -2.0867 -1.8258 -1.8258 -1.2684 -1.2684 -0.4333 -0.4333 -0.2970 -0.2970 -0.2425 -0.2425 1.5504 1.5504 3.8037 3.8037 3.8427 3.8427 4.1899 4.1899 5.2945 5.2945 7.5212 7.5212 8.2386 8.2386 9.1433 9.1433 9.5407 9.5407 10.1101 10.1101 10.1863 10.1863 k = 0.4731 0.6197 0.0350 ( 4852 PWs) bands (ev): -18.2948 -18.2948 -18.2940 -18.2940 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5524 -6.5524 -6.5349 -6.5349 -6.5238 -6.5238 -4.4457 -4.4457 -4.4389 -4.4389 -4.3629 -4.3629 -4.3611 -4.3611 -4.3566 -4.3566 -4.2991 -4.2991 -2.9613 -2.9613 -2.4780 -2.4780 -2.4510 -2.4510 -2.0868 -2.0868 -1.8165 -1.8165 -1.2678 -1.2678 -0.4601 -0.4601 -0.2959 -0.2959 -0.2083 -0.2083 1.5441 1.5441 3.8046 3.8046 3.8484 3.8484 4.1872 4.1872 5.2806 5.2806 7.5132 7.5132 8.2435 8.2435 9.1472 9.1472 9.5250 9.5250 10.1058 10.1058 10.1728 10.1728 k = 0.4642 0.6272 0.0467 ( 4850 PWs) bands (ev): -18.2946 -18.2946 -18.2942 -18.2942 -14.0383 -14.0383 -14.0377 -14.0377 -6.5680 -6.5680 -6.5523 -6.5523 -6.5349 -6.5349 -6.5239 -6.5239 -4.4460 -4.4460 -4.4387 -4.4387 -4.3633 -4.3633 -4.3609 -4.3609 -4.3561 -4.3561 -4.2994 -4.2994 -2.9588 -2.9588 -2.4848 -2.4848 -2.4583 -2.4583 -2.0868 -2.0868 -1.8039 -1.8039 -1.2670 -1.2670 -0.4873 -0.4873 -0.2972 -0.2972 -0.1680 -0.1680 1.5355 1.5355 3.8036 3.8036 3.8584 3.8584 4.1834 4.1834 5.2614 5.2614 7.5024 7.5024 8.2501 8.2501 9.1524 9.1524 9.5041 9.5041 10.0965 10.0965 10.1560 10.1560 k = 0.4552 0.6347 0.0584 ( 4850 PWs) bands (ev): -18.2945 -18.2945 -18.2943 -18.2943 -14.0383 -14.0383 -14.0377 -14.0377 -6.5680 -6.5680 -6.5522 -6.5522 -6.5350 -6.5350 -6.5241 -6.5241 -4.4465 -4.4465 -4.4385 -4.4385 -4.3638 -4.3638 -4.3607 -4.3607 -4.3554 -4.3554 -4.2998 -4.2998 -2.9556 -2.9556 -2.4931 -2.4931 -2.4672 -2.4672 -2.0869 -2.0869 -1.7883 -1.7883 -1.2661 -1.2661 -0.5136 -0.5136 -0.2997 -0.2997 -0.1238 -0.1238 1.5247 1.5247 3.8003 3.8003 3.8729 3.8729 4.1784 4.1784 5.2371 5.2371 7.4891 7.4891 8.2581 8.2581 9.1586 9.1586 9.4787 9.4787 10.0783 10.0783 10.1396 10.1396 k = 0.4463 0.6422 0.0701 ( 4850 PWs) bands (ev): -18.2948 -18.2948 -18.2940 -18.2940 -14.0384 -14.0384 -14.0377 -14.0377 -6.5681 -6.5681 -6.5521 -6.5521 -6.5350 -6.5350 -6.5243 -6.5243 -4.4470 -4.4470 -4.4383 -4.4383 -4.3643 -4.3643 -4.3606 -4.3606 -4.3546 -4.3546 -4.3002 -4.3002 -2.9517 -2.9517 -2.5027 -2.5027 -2.4777 -2.4777 -2.0871 -2.0871 -1.7700 -1.7700 -1.2653 -1.2653 -0.5387 -0.5387 -0.3031 -0.3031 -0.0767 -0.0767 1.5120 1.5120 3.7951 3.7951 3.8913 3.8913 4.1721 4.1721 5.2080 5.2080 7.4738 7.4738 8.2672 8.2672 9.1654 9.1654 9.4498 9.4498 10.0481 10.0481 10.1263 10.1263 k = 0.4373 0.6497 0.0818 ( 4846 PWs) bands (ev): -18.2952 -18.2952 -18.2937 -18.2937 -14.0384 -14.0384 -14.0376 -14.0376 -6.5681 -6.5681 -6.5520 -6.5520 -6.5351 -6.5351 -6.5245 -6.5245 -4.4476 -4.4476 -4.4381 -4.4381 -4.3648 -4.3648 -4.3605 -4.3605 -4.3536 -4.3536 -4.3008 -4.3008 -2.9472 -2.9472 -2.5135 -2.5135 -2.4893 -2.4893 -2.0872 -2.0872 -1.7494 -1.7494 -1.2648 -1.2648 -0.5622 -0.5622 -0.3072 -0.3072 -0.0269 -0.0269 1.4975 1.4975 3.7883 3.7883 3.9132 3.9132 4.1645 4.1645 5.1746 5.1746 7.4569 7.4569 8.2773 8.2773 9.1721 9.1721 9.4183 9.4183 10.0072 10.0072 10.1156 10.1156 k = 0.4283 0.6572 0.0935 ( 4842 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4483 -4.4483 -4.4379 -4.4379 -4.3654 -4.3654 -4.3605 -4.3605 -4.3525 -4.3525 -4.3014 -4.3014 -2.9419 -2.9419 -2.5253 -2.5253 -2.5019 -2.5019 -2.0875 -2.0875 -1.7268 -1.7268 -1.2646 -1.2646 -0.5841 -0.5841 -0.3119 -0.3119 0.0253 0.0253 1.4815 1.4815 3.7801 3.7801 3.9379 3.9379 4.1553 4.1553 5.1372 5.1372 7.4389 7.4389 8.2878 8.2878 9.1782 9.1782 9.3856 9.3856 9.9583 9.9583 10.1065 10.1065 k = 0.4283 0.6572 0.0935 ( 4842 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4483 -4.4483 -4.4379 -4.4379 -4.3654 -4.3654 -4.3605 -4.3605 -4.3525 -4.3525 -4.3014 -4.3014 -2.9419 -2.9419 -2.5253 -2.5253 -2.5019 -2.5019 -2.0875 -2.0875 -1.7268 -1.7268 -1.2646 -1.2646 -0.5841 -0.5841 -0.3119 -0.3119 0.0253 0.0253 1.4815 1.4815 3.7801 3.7801 3.9379 3.9379 4.1553 4.1553 5.1372 5.1372 7.4389 7.4389 8.2878 8.2878 9.1782 9.1782 9.3856 9.3856 9.9583 9.9583 10.1065 10.1065 k = 0.4136 0.6521 0.1015 ( 4852 PWs) bands (ev): -18.2960 -18.2960 -18.2930 -18.2930 -14.0385 -14.0385 -14.0376 -14.0376 -6.5682 -6.5682 -6.5518 -6.5518 -6.5352 -6.5352 -6.5250 -6.5250 -4.4487 -4.4487 -4.4377 -4.4377 -4.3659 -4.3659 -4.3606 -4.3606 -4.3517 -4.3517 -4.3019 -4.3019 -2.9378 -2.9378 -2.5338 -2.5338 -2.5108 -2.5108 -2.0880 -2.0880 -1.7109 -1.7109 -1.2647 -1.2647 -0.5977 -0.5977 -0.3152 -0.3152 0.0628 0.0628 1.4702 1.4702 3.7732 3.7732 3.9557 3.9557 4.1480 4.1480 5.1087 5.1087 7.4274 7.4274 8.2954 8.2954 9.1811 9.1811 9.3635 9.3635 9.9186 9.9186 10.1009 10.1009 k = 0.3988 0.6469 0.1095 ( 4854 PWs) bands (ev): -18.2963 -18.2963 -18.2927 -18.2927 -14.0385 -14.0385 -14.0375 -14.0375 -6.5682 -6.5682 -6.5516 -6.5516 -6.5352 -6.5352 -6.5253 -6.5253 -4.4490 -4.4490 -4.4373 -4.4373 -4.3664 -4.3664 -4.3608 -4.3608 -4.3509 -4.3509 -4.3027 -4.3027 -2.9330 -2.9330 -2.5425 -2.5425 -2.5197 -2.5197 -2.0891 -2.0891 -1.6953 -1.6953 -1.2652 -1.2652 -0.6097 -0.6097 -0.3186 -0.3186 0.1023 0.1023 1.4593 1.4593 3.7648 3.7648 3.9735 3.9735 4.1398 4.1398 5.0775 5.0775 7.4184 7.4184 8.3034 8.3034 9.1812 9.1812 9.3436 9.3436 9.8751 9.8751 10.0940 10.0940 k = 0.3840 0.6418 0.1175 ( 4858 PWs) bands (ev): -18.2965 -18.2965 -18.2925 -18.2925 -14.0386 -14.0386 -14.0375 -14.0375 -6.5681 -6.5681 -6.5515 -6.5515 -6.5353 -6.5353 -6.5256 -6.5256 -4.4492 -4.4492 -4.4369 -4.4369 -4.3671 -4.3671 -4.3610 -4.3610 -4.3502 -4.3502 -4.3037 -4.3037 -2.9277 -2.9277 -2.5514 -2.5514 -2.5283 -2.5283 -2.0909 -2.0909 -1.6801 -1.6801 -1.2661 -1.2661 -0.6202 -0.6202 -0.3220 -0.3220 0.1436 0.1436 1.4489 1.4489 3.7551 3.7551 3.9907 3.9907 4.1307 4.1307 5.0440 5.0440 7.4118 7.4118 8.3114 8.3114 9.1763 9.1763 9.3286 9.3286 9.8310 9.8310 10.0854 10.0854 k = 0.3693 0.6366 0.1255 ( 4853 PWs) bands (ev): -18.2968 -18.2968 -18.2923 -18.2923 -14.0386 -14.0386 -14.0374 -14.0374 -6.5679 -6.5679 -6.5514 -6.5514 -6.5354 -6.5354 -6.5260 -6.5260 -4.4493 -4.4493 -4.4362 -4.4362 -4.3678 -4.3678 -4.3614 -4.3614 -4.3495 -4.3495 -4.3050 -4.3050 -2.9218 -2.9218 -2.5605 -2.5605 -2.5367 -2.5367 -2.0934 -2.0934 -1.6653 -1.6653 -1.2674 -1.2674 -0.6292 -0.6292 -0.3255 -0.3255 0.1867 0.1867 1.4392 1.4392 3.7439 3.7439 4.0073 4.0073 4.1207 4.1207 5.0087 5.0087 7.4079 7.4079 8.3192 8.3192 9.1644 9.1644 9.3207 9.3207 9.7877 9.7877 10.0758 10.0758 k = 0.3545 0.6315 0.1336 ( 4850 PWs) bands (ev): -18.2970 -18.2970 -18.2922 -18.2922 -14.0386 -14.0386 -14.0373 -14.0373 -6.5677 -6.5677 -6.5513 -6.5513 -6.5355 -6.5355 -6.5264 -6.5264 -4.4492 -4.4492 -4.4355 -4.4355 -4.3685 -4.3685 -4.3618 -4.3618 -4.3490 -4.3490 -4.3065 -4.3065 -2.9154 -2.9154 -2.5698 -2.5698 -2.5445 -2.5445 -2.0966 -2.0966 -1.6510 -1.6510 -1.2692 -1.2692 -0.6367 -0.6367 -0.3291 -0.3291 0.2315 0.2315 1.4303 1.4303 3.7314 3.7314 4.0227 4.0227 4.1100 4.1100 4.9719 4.9719 7.4065 7.4065 8.3263 8.3263 9.1457 9.1457 9.3203 9.3203 9.7458 9.7458 10.0662 10.0662 k = 0.3397 0.6263 0.1416 ( 4851 PWs) bands (ev): -18.2972 -18.2972 -18.2920 -18.2920 -14.0387 -14.0387 -14.0372 -14.0372 -6.5674 -6.5674 -6.5511 -6.5511 -6.5357 -6.5357 -6.5269 -6.5269 -4.4491 -4.4491 -4.4346 -4.4346 -4.3693 -4.3693 -4.3623 -4.3623 -4.3485 -4.3485 -4.3083 -4.3083 -2.9085 -2.9085 -2.5793 -2.5793 -2.5517 -2.5517 -2.1005 -2.1005 -1.6373 -1.6373 -1.2715 -1.2715 -0.6428 -0.6428 -0.3328 -0.3328 0.2779 0.2779 1.4223 1.4223 3.7176 3.7176 4.0358 4.0358 4.0993 4.0993 4.9341 4.9341 7.4078 7.4078 8.3325 8.3325 9.1222 9.1222 9.3256 9.3256 9.7060 9.7060 10.0573 10.0573 k = 0.3249 0.6212 0.1496 ( 4849 PWs) bands (ev): -18.2973 -18.2973 -18.2920 -18.2920 -14.0387 -14.0387 -14.0372 -14.0372 -6.5670 -6.5670 -6.5510 -6.5510 -6.5358 -6.5358 -6.5274 -6.5274 -4.4488 -4.4488 -4.4336 -4.4336 -4.3702 -4.3702 -4.3628 -4.3628 -4.3482 -4.3482 -4.3102 -4.3102 -2.9011 -2.9011 -2.5890 -2.5890 -2.5581 -2.5581 -2.1051 -2.1051 -1.6240 -1.6240 -1.2743 -1.2743 -0.6475 -0.6475 -0.3368 -0.3368 0.3259 0.3259 1.4152 1.4152 3.7026 3.7026 4.0440 4.0440 4.0913 4.0913 4.8956 4.8956 7.4118 7.4118 8.3373 8.3373 9.0966 9.0966 9.3345 9.3345 9.6690 9.6690 10.0496 10.0496 k = 0.3102 0.6160 0.1576 ( 4850 PWs) bands (ev): -18.2975 -18.2975 -18.2919 -18.2919 -14.0387 -14.0387 -14.0371 -14.0371 -6.5666 -6.5666 -6.5508 -6.5508 -6.5360 -6.5360 -6.5279 -6.5279 -4.4483 -4.4483 -4.4324 -4.4324 -4.3712 -4.3712 -4.3634 -4.3634 -4.3480 -4.3480 -4.3123 -4.3123 -2.8933 -2.8933 -2.5987 -2.5987 -2.5637 -2.5637 -2.1105 -2.1105 -1.6114 -1.6114 -1.2777 -1.2777 -0.6509 -0.6509 -0.3410 -0.3410 0.3753 0.3753 1.4092 1.4092 3.6864 3.6864 4.0419 4.0419 4.0909 4.0909 4.8568 4.8568 7.4183 7.4183 8.3403 8.3403 9.0708 9.0708 9.3453 9.3453 9.6353 9.6353 10.0433 10.0433 k = 0.2954 0.6109 0.1656 ( 4851 PWs) bands (ev): -18.2976 -18.2976 -18.2919 -18.2919 -14.0387 -14.0387 -14.0370 -14.0370 -6.5661 -6.5661 -6.5506 -6.5506 -6.5362 -6.5362 -6.5285 -6.5285 -4.4477 -4.4477 -4.4311 -4.4311 -4.3721 -4.3721 -4.3641 -4.3641 -4.3480 -4.3480 -4.3146 -4.3146 -2.8852 -2.8852 -2.6085 -2.6085 -2.5684 -2.5684 -2.1167 -2.1167 -1.5993 -1.5993 -1.2817 -1.2817 -0.6529 -0.6529 -0.3454 -0.3454 0.4259 0.4259 1.4043 1.4043 3.6691 3.6691 4.0297 4.0297 4.0980 4.0980 4.8181 4.8181 7.4274 7.4274 8.3409 8.3409 9.0465 9.0465 9.3560 9.3560 9.6062 9.6062 10.0386 10.0386 k = 0.2806 0.6057 0.1737 ( 4852 PWs) bands (ev): -18.2977 -18.2977 -18.2919 -18.2919 -14.0387 -14.0387 -14.0370 -14.0370 -6.5656 -6.5656 -6.5504 -6.5504 -6.5364 -6.5364 -6.5291 -6.5291 -4.4470 -4.4470 -4.4297 -4.4297 -4.3732 -4.3732 -4.3647 -4.3647 -4.3481 -4.3481 -4.3171 -4.3171 -2.8769 -2.8769 -2.6182 -2.6182 -2.5721 -2.5721 -2.1237 -2.1237 -1.5877 -1.5877 -1.2862 -1.2862 -0.6537 -0.6537 -0.3502 -0.3502 0.4776 0.4776 1.4005 1.4005 3.6509 3.6509 4.0118 4.0118 4.1080 4.1080 4.7797 4.7797 7.4390 7.4390 8.3389 8.3389 9.0250 9.0250 9.3651 9.3651 9.5829 9.5829 10.0356 10.0356 k = 0.2659 0.6006 0.1817 ( 4859 PWs) bands (ev): -18.2977 -18.2977 -18.2919 -18.2919 -14.0387 -14.0387 -14.0369 -14.0369 -6.5651 -6.5651 -6.5503 -6.5503 -6.5367 -6.5367 -6.5298 -6.5298 -4.4462 -4.4462 -4.4281 -4.4281 -4.3742 -4.3742 -4.3655 -4.3655 -4.3484 -4.3484 -4.3197 -4.3197 -2.8683 -2.8683 -2.6279 -2.6279 -2.5747 -2.5747 -2.1314 -2.1314 -1.5767 -1.5767 -1.2914 -1.2914 -0.6533 -0.6533 -0.3554 -0.3554 0.5302 0.5302 1.3977 1.3977 3.6319 3.6319 3.9906 3.9906 4.1186 4.1186 4.7419 4.7419 7.4529 7.4529 8.3337 8.3337 9.0070 9.0070 9.3705 9.3705 9.5673 9.5673 10.0343 10.0343 k = 0.2511 0.5954 0.1897 ( 4858 PWs) bands (ev): -18.2978 -18.2978 -18.2920 -18.2920 -14.0387 -14.0387 -14.0368 -14.0368 -6.5644 -6.5644 -6.5500 -6.5500 -6.5370 -6.5370 -6.5305 -6.5305 -4.4452 -4.4452 -4.4265 -4.4265 -4.3753 -4.3753 -4.3662 -4.3662 -4.3490 -4.3490 -4.3224 -4.3224 -2.8598 -2.8598 -2.6374 -2.6374 -2.5760 -2.5760 -2.1400 -2.1400 -1.5662 -1.5662 -1.2970 -1.2970 -0.6517 -0.6517 -0.3609 -0.3609 0.5835 0.5835 1.3960 1.3960 3.6122 3.6122 3.9668 3.9668 4.1290 4.1290 4.7050 4.7050 7.4690 7.4690 8.3252 8.3252 8.9932 8.9932 9.3706 9.3706 9.5611 9.5611 10.0346 10.0346 k = 0.2363 0.5903 0.1977 ( 4858 PWs) bands (ev): -18.2978 -18.2978 -18.2921 -18.2921 -14.0386 -14.0386 -14.0368 -14.0368 -6.5638 -6.5638 -6.5498 -6.5498 -6.5373 -6.5373 -6.5312 -6.5312 -4.4440 -4.4440 -4.4247 -4.4247 -4.3764 -4.3764 -4.3669 -4.3669 -4.3497 -4.3497 -4.3253 -4.3253 -2.8512 -2.8512 -2.6468 -2.6468 -2.5761 -2.5761 -2.1493 -2.1493 -1.5562 -1.5562 -1.3032 -1.3032 -0.6491 -0.6491 -0.3669 -0.3669 0.6373 0.6373 1.3952 1.3952 3.5922 3.5922 3.9409 3.9409 4.1389 4.1389 4.6691 4.6691 7.4872 7.4872 8.3133 8.3133 8.9839 8.9839 9.3651 9.3651 9.5644 9.5644 10.0367 10.0367 k = 0.2216 0.5851 0.2057 ( 4852 PWs) bands (ev): -18.2978 -18.2978 -18.2922 -18.2922 -14.0386 -14.0386 -14.0367 -14.0367 -6.5631 -6.5631 -6.5496 -6.5496 -6.5376 -6.5376 -6.5319 -6.5319 -4.4427 -4.4427 -4.4228 -4.4228 -4.3775 -4.3775 -4.3676 -4.3676 -4.3507 -4.3507 -4.3281 -4.3281 -2.8428 -2.8428 -2.6559 -2.6559 -2.5748 -2.5748 -2.1595 -2.1595 -1.5467 -1.5467 -1.3099 -1.3099 -0.6454 -0.6454 -0.3733 -0.3733 0.6914 0.6914 1.3953 1.3953 3.5719 3.5719 3.9129 3.9129 4.1484 4.1484 4.6345 4.6345 7.5071 7.5071 8.2981 8.2981 8.9792 8.9792 9.3553 9.3553 9.5760 9.5760 10.0404 10.0404 k = 0.2068 0.5800 0.2138 ( 4854 PWs) bands (ev): -18.2977 -18.2977 -18.2923 -18.2923 -14.0385 -14.0385 -14.0367 -14.0367 -6.5623 -6.5623 -6.5493 -6.5493 -6.5379 -6.5379 -6.5326 -6.5326 -4.4413 -4.4413 -4.4208 -4.4208 -4.3787 -4.3787 -4.3683 -4.3683 -4.3519 -4.3519 -4.3311 -4.3311 -2.8347 -2.8347 -2.6648 -2.6648 -2.5720 -2.5720 -2.1705 -2.1705 -1.5376 -1.5376 -1.3170 -1.3170 -0.6407 -0.6407 -0.3801 -0.3801 0.7454 0.7454 1.3960 1.3960 3.5518 3.5518 3.8831 3.8831 4.1574 4.1574 4.6012 4.6012 7.5288 7.5288 8.2798 8.2798 8.9788 8.9788 9.3431 9.3431 9.5939 9.5939 10.0458 10.0458 k = 0.1920 0.5748 0.2218 ( 4844 PWs) bands (ev): -18.2977 -18.2977 -18.2925 -18.2925 -14.0385 -14.0385 -14.0367 -14.0367 -6.5615 -6.5615 -6.5490 -6.5490 -6.5383 -6.5383 -6.5333 -6.5333 -4.4397 -4.4397 -4.4187 -4.4187 -4.3798 -4.3798 -4.3689 -4.3689 -4.3533 -4.3533 -4.3340 -4.3340 -2.8269 -2.8269 -2.6734 -2.6734 -2.5677 -2.5677 -2.1822 -2.1822 -1.5288 -1.5288 -1.3244 -1.3244 -0.6351 -0.6351 -0.3874 -0.3874 0.7992 0.7992 1.3973 1.3973 3.5320 3.5320 3.8517 3.8517 4.1661 4.1661 4.5693 4.5693 7.5518 7.5518 8.2587 8.2587 8.9823 8.9823 9.3299 9.3299 9.6168 9.6168 10.0530 10.0530 k = 0.1772 0.5697 0.2298 ( 4842 PWs) bands (ev): -18.2976 -18.2976 -18.2927 -18.2927 -14.0384 -14.0384 -14.0367 -14.0367 -6.5607 -6.5607 -6.5488 -6.5488 -6.5387 -6.5387 -6.5340 -6.5340 -4.4379 -4.4379 -4.4165 -4.4165 -4.3810 -4.3810 -4.3695 -4.3695 -4.3549 -4.3549 -4.3369 -4.3369 -2.8195 -2.8195 -2.6818 -2.6818 -2.5617 -2.5617 -2.1948 -2.1948 -1.5204 -1.5204 -1.3321 -1.3321 -0.6287 -0.6287 -0.3951 -0.3951 0.8524 0.8524 1.3989 1.3989 3.5129 3.5129 3.8190 3.8190 4.1744 4.1744 4.5390 4.5390 7.5760 7.5760 8.2355 8.2355 8.9892 8.9892 9.3169 9.3169 9.6435 9.6435 10.0618 10.0618 k = 0.1625 0.5645 0.2378 ( 4844 PWs) bands (ev): -18.2975 -18.2975 -18.2928 -18.2928 -14.0383 -14.0383 -14.0367 -14.0367 -6.5599 -6.5599 -6.5485 -6.5485 -6.5392 -6.5392 -6.5348 -6.5348 -4.4361 -4.4361 -4.4144 -4.4144 -4.3822 -4.3822 -4.3701 -4.3701 -4.3567 -4.3567 -4.3398 -4.3398 -2.8126 -2.8126 -2.6898 -2.6898 -2.5542 -2.5542 -2.2082 -2.2082 -1.5122 -1.5122 -1.3401 -1.3401 -0.6216 -0.6216 -0.4033 -0.4033 0.9047 0.9047 1.4005 1.4005 3.4948 3.4948 3.7852 3.7852 4.1826 4.1826 4.5102 4.5102 7.6012 7.6012 8.2104 8.2104 8.9989 8.9989 9.3043 9.3043 9.6735 9.6735 10.0723 10.0723 k = 0.1477 0.5594 0.2458 ( 4853 PWs) bands (ev): -18.2974 -18.2974 -18.2930 -18.2930 -14.0382 -14.0382 -14.0367 -14.0367 -6.5591 -6.5591 -6.5483 -6.5483 -6.5397 -6.5397 -6.5355 -6.5355 -4.4341 -4.4341 -4.4122 -4.4122 -4.3834 -4.3834 -4.3705 -4.3705 -4.3587 -4.3587 -4.3427 -4.3427 -2.8062 -2.8062 -2.6976 -2.6976 -2.5451 -2.5451 -2.2223 -2.2223 -1.5044 -1.5044 -1.3482 -1.3482 -0.6138 -0.6138 -0.4118 -0.4118 0.9557 0.9557 1.4019 1.4019 3.4781 3.4781 3.7507 3.7507 4.1907 4.1907 4.4829 4.4829 7.6272 7.6272 8.1840 8.1840 9.0110 9.0110 9.2925 9.2925 9.7067 9.7067 10.0844 10.0844 k = 0.1329 0.5542 0.2539 ( 4855 PWs) bands (ev): -18.2973 -18.2973 -18.2933 -18.2933 -14.0382 -14.0382 -14.0367 -14.0367 -6.5582 -6.5582 -6.5480 -6.5480 -6.5401 -6.5401 -6.5361 -6.5361 -4.4319 -4.4319 -4.4100 -4.4100 -4.3845 -4.3845 -4.3709 -4.3709 -4.3609 -4.3609 -4.3455 -4.3455 -2.8003 -2.8003 -2.7050 -2.7050 -2.5345 -2.5345 -2.2371 -2.2371 -1.4967 -1.4967 -1.3565 -1.3565 -0.6054 -0.6054 -0.4208 -0.4208 1.0053 1.0053 1.4028 1.4028 3.4632 3.4632 3.7159 3.7159 4.1988 4.1988 4.4573 4.4573 7.6537 7.6537 8.1567 8.1567 9.0247 9.0247 9.2811 9.2811 9.7429 9.7429 10.0979 10.0979 k = 0.1182 0.5491 0.2619 ( 4853 PWs) bands (ev): -18.2971 -18.2971 -18.2935 -18.2935 -14.0381 -14.0381 -14.0367 -14.0367 -6.5573 -6.5573 -6.5478 -6.5478 -6.5406 -6.5406 -6.5368 -6.5368 -4.4297 -4.4297 -4.4079 -4.4079 -4.3856 -4.3856 -4.3711 -4.3711 -4.3632 -4.3632 -4.3482 -4.3482 -2.7949 -2.7949 -2.7121 -2.7121 -2.5224 -2.5224 -2.2526 -2.2526 -1.4891 -1.4891 -1.3648 -1.3648 -0.5965 -0.5965 -0.4301 -0.4301 1.0529 1.0529 1.4029 1.4029 3.4503 3.4503 3.6812 3.6812 4.2070 4.2070 4.4332 4.4332 7.6806 7.6806 8.1286 8.1286 9.0398 9.0398 9.2702 9.2702 9.7820 9.7820 10.1126 10.1126 k = 0.1034 0.5440 0.2699 ( 4841 PWs) bands (ev): -18.2969 -18.2969 -18.2937 -18.2937 -14.0380 -14.0380 -14.0368 -14.0368 -6.5564 -6.5564 -6.5477 -6.5477 -6.5411 -6.5411 -6.5374 -6.5374 -4.4273 -4.4273 -4.4061 -4.4061 -4.3866 -4.3866 -4.3712 -4.3712 -4.3655 -4.3655 -4.3509 -4.3509 -2.7897 -2.7897 -2.7189 -2.7189 -2.5090 -2.5090 -2.2686 -2.2686 -1.4817 -1.4817 -1.3732 -1.3732 -0.5870 -0.5870 -0.4398 -0.4398 1.0983 1.0983 1.4017 1.4017 3.4401 3.4401 3.6471 3.6471 4.2155 4.2155 4.4106 4.4106 7.7079 7.7079 8.1003 8.1003 9.0557 9.0557 9.2594 9.2594 9.8239 9.8239 10.1281 10.1281 k = 0.0886 0.5388 0.2779 ( 4841 PWs) bands (ev): -18.2968 -18.2968 -18.2940 -18.2940 -14.0379 -14.0379 -14.0368 -14.0368 -6.5555 -6.5555 -6.5476 -6.5476 -6.5414 -6.5414 -6.5380 -6.5380 -4.4248 -4.4248 -4.4046 -4.4046 -4.3874 -4.3874 -4.3713 -4.3713 -4.3677 -4.3677 -4.3535 -4.3535 -2.7849 -2.7849 -2.7253 -2.7253 -2.4945 -2.4945 -2.2853 -2.2853 -1.4744 -1.4744 -1.3815 -1.3815 -0.5772 -0.5772 -0.4497 -0.4497 1.1411 1.1411 1.3990 1.3990 3.4326 3.4326 3.6140 3.6140 4.2244 4.2244 4.3894 4.3894 7.7353 7.7353 8.0717 8.0717 9.0723 9.0723 9.2485 9.2485 9.8684 9.8684 10.1437 10.1437 k = 0.0739 0.5337 0.2859 ( 4843 PWs) bands (ev): -18.2966 -18.2966 -18.2942 -18.2942 -14.0378 -14.0378 -14.0369 -14.0369 -6.5546 -6.5546 -6.5477 -6.5477 -6.5417 -6.5417 -6.5386 -6.5386 -4.4223 -4.4223 -4.4036 -4.4036 -4.3877 -4.3877 -4.3714 -4.3714 -4.3697 -4.3697 -4.3560 -4.3560 -2.7803 -2.7803 -2.7315 -2.7315 -2.4791 -2.4791 -2.3024 -2.3024 -1.4670 -1.4670 -1.3898 -1.3898 -0.5671 -0.5671 -0.4599 -0.4599 1.1811 1.1811 1.3943 1.3943 3.4284 3.4284 3.5823 3.5823 4.2336 4.2336 4.3697 4.3697 7.7629 7.7629 8.0430 8.0430 9.0891 9.0891 9.2372 9.2372 9.9148 9.9148 10.1583 10.1583 k = 0.0591 0.5285 0.2940 ( 4851 PWs) bands (ev): -18.2964 -18.2964 -18.2945 -18.2945 -14.0377 -14.0377 -14.0369 -14.0369 -6.5537 -6.5537 -6.5480 -6.5480 -6.5418 -6.5418 -6.5392 -6.5392 -4.4197 -4.4197 -4.4035 -4.4035 -4.3874 -4.3874 -4.3729 -4.3729 -4.3701 -4.3701 -4.3584 -4.3584 -2.7759 -2.7759 -2.7373 -2.7373 -2.4627 -2.4627 -2.3199 -2.3199 -1.4597 -1.4597 -1.3980 -1.3980 -0.5567 -0.5567 -0.4704 -0.4704 1.2179 1.2179 1.3874 1.3874 3.4275 3.4275 3.5526 3.5526 4.2434 4.2434 4.3513 4.3513 7.7905 7.7905 8.0145 8.0145 9.1059 9.1059 9.2253 9.2253 9.9624 9.9624 10.1698 10.1698 k = 0.0443 0.5234 0.3020 ( 4846 PWs) bands (ev): -18.2961 -18.2961 -18.2947 -18.2947 -14.0376 -14.0376 -14.0370 -14.0370 -6.5528 -6.5528 -6.5484 -6.5484 -6.5418 -6.5418 -6.5397 -6.5397 -4.4171 -4.4171 -4.4042 -4.4042 -4.3864 -4.3864 -4.3750 -4.3750 -4.3696 -4.3696 -4.3606 -4.3606 -2.7715 -2.7715 -2.7428 -2.7428 -2.4457 -2.4457 -2.3377 -2.3377 -1.4523 -1.4523 -1.4061 -1.4061 -0.5461 -0.5461 -0.4810 -0.4810 1.2513 1.2513 1.3778 1.3778 3.4304 3.4304 3.5253 3.5253 4.2538 4.2538 4.3341 4.3341 7.8182 7.8182 7.9860 7.9860 9.1227 9.1227 9.2128 9.2128 10.0098 10.0098 10.1753 10.1753 k = 0.0295 0.5182 0.3100 ( 4838 PWs) bands (ev): -18.2959 -18.2959 -18.2949 -18.2949 -14.0374 -14.0374 -14.0371 -14.0371 -6.5520 -6.5520 -6.5489 -6.5489 -6.5417 -6.5417 -6.5402 -6.5402 -4.4145 -4.4145 -4.4056 -4.4056 -4.3850 -4.3850 -4.3771 -4.3771 -4.3687 -4.3687 -4.3627 -4.3627 -2.7671 -2.7671 -2.7481 -2.7481 -2.4282 -2.4282 -2.3558 -2.3558 -1.4449 -1.4449 -1.4141 -1.4141 -0.5353 -0.5353 -0.4918 -0.4918 1.2813 1.2813 1.3652 1.3652 3.4370 3.4370 3.5008 3.5008 4.2649 4.2649 4.3182 4.3182 7.8459 7.8459 7.9577 7.9577 9.1392 9.1392 9.1995 9.1995 10.0553 10.0553 10.1715 10.1715 k = 0.0148 0.5131 0.3180 ( 4838 PWs) bands (ev): -18.2957 -18.2957 -18.2952 -18.2952 -14.0373 -14.0373 -14.0372 -14.0372 -6.5511 -6.5511 -6.5496 -6.5496 -6.5414 -6.5414 -6.5406 -6.5406 -4.4120 -4.4120 -4.4074 -4.4074 -4.3832 -4.3832 -4.3792 -4.3792 -4.3676 -4.3676 -4.3646 -4.3646 -2.7626 -2.7626 -2.7531 -2.7531 -2.4103 -2.4103 -2.3740 -2.3740 -1.4374 -1.4374 -1.4220 -1.4220 -0.5245 -0.5245 -0.5026 -0.5026 1.3076 1.3076 1.3495 1.3495 3.4474 3.4474 3.4795 3.4795 4.2768 4.2768 4.3034 4.3034 7.8737 7.8737 7.9296 7.9296 9.1552 9.1552 9.1855 9.1855 10.0964 10.0964 10.1565 10.1565 k = 0.0000 0.5079 0.3260 ( 4846 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5503 -6.5503 -6.5503 -6.5503 -6.5411 -6.5411 -6.5411 -6.5411 -4.4096 -4.4096 -4.4096 -4.4096 -4.3813 -4.3813 -4.3813 -4.3813 -4.3662 -4.3662 -4.3662 -4.3662 -2.7579 -2.7579 -2.7579 -2.7579 -2.3922 -2.3922 -2.3922 -2.3922 -1.4297 -1.4297 -1.4297 -1.4297 -0.5136 -0.5136 -0.5136 -0.5136 1.3303 1.3303 1.3303 1.3303 3.4616 3.4616 3.4616 3.4616 4.2896 4.2896 4.2896 4.2896 7.9016 7.9016 7.9016 7.9016 9.1707 9.1707 9.1707 9.1707 10.1309 10.1309 10.1309 10.1309 k = 0.0000 0.5079 0.3260 ( 4846 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5503 -6.5503 -6.5503 -6.5503 -6.5411 -6.5411 -6.5411 -6.5411 -4.4096 -4.4096 -4.4096 -4.4096 -4.3813 -4.3813 -4.3813 -4.3813 -4.3662 -4.3662 -4.3662 -4.3662 -2.7579 -2.7579 -2.7579 -2.7579 -2.3922 -2.3922 -2.3922 -2.3922 -1.4297 -1.4297 -1.4297 -1.4297 -0.5136 -0.5136 -0.5136 -0.5136 1.3303 1.3303 1.3303 1.3303 3.4616 3.4616 3.4616 3.4616 4.2896 4.2896 4.2896 4.2896 7.9016 7.9016 7.9016 7.9016 9.1707 9.1707 9.1707 9.1707 10.1309 10.1309 10.1309 10.1309 k = 0.0096 0.4999 0.3386 ( 4846 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5503 -6.5503 -6.5503 -6.5503 -6.5412 -6.5412 -6.5409 -6.5409 -4.4101 -4.4101 -4.4091 -4.4091 -4.3817 -4.3817 -4.3808 -4.3808 -4.3667 -4.3667 -4.3657 -4.3657 -2.7579 -2.7579 -2.7576 -2.7576 -2.3928 -2.3928 -2.3920 -2.3920 -1.4301 -1.4301 -1.4296 -1.4296 -0.5141 -0.5141 -0.5136 -0.5136 1.3310 1.3310 1.3312 1.3312 3.4611 3.4611 3.4620 3.4620 4.2897 4.2897 4.2899 4.2899 7.8878 7.8878 7.9087 7.9087 9.1393 9.1393 9.2026 9.2026 10.1154 10.1154 10.1461 10.1461 k = 0.0192 0.4918 0.3511 ( 4846 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5503 -6.5503 -6.5502 -6.5502 -6.5413 -6.5413 -6.5408 -6.5408 -4.4106 -4.4106 -4.4087 -4.4087 -4.3820 -4.3820 -4.3803 -4.3803 -4.3672 -4.3672 -4.3651 -4.3651 -2.7576 -2.7576 -2.7570 -2.7570 -2.3936 -2.3936 -2.3921 -2.3921 -1.4306 -1.4306 -1.4296 -1.4296 -0.5154 -0.5154 -0.5144 -0.5144 1.3331 1.3331 1.3335 1.3335 3.4605 3.4605 3.4622 3.4622 4.2902 4.2902 4.2905 4.2905 7.8679 7.8679 7.9088 7.9088 9.1093 9.1093 9.2338 9.2338 10.1003 10.1003 10.1613 10.1613 k = 0.0288 0.4838 0.3637 ( 4848 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5504 -6.5504 -6.5502 -6.5502 -6.5415 -6.5415 -6.5407 -6.5407 -4.4112 -4.4112 -4.4084 -4.4084 -4.3822 -4.3822 -4.3798 -4.3798 -4.3676 -4.3676 -4.3645 -4.3645 -2.7570 -2.7570 -2.7562 -2.7562 -2.3946 -2.3946 -2.3925 -2.3925 -1.4312 -1.4312 -1.4297 -1.4297 -0.5172 -0.5172 -0.5157 -0.5157 1.3367 1.3367 1.3372 1.3372 3.4600 3.4600 3.4624 3.4624 4.2910 4.2910 4.2913 4.2913 7.8426 7.8426 7.9021 7.9021 9.0810 9.0810 9.2628 9.2628 10.0872 10.0872 10.1772 10.1772 k = 0.0385 0.4757 0.3762 ( 4848 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0373 -14.0373 -14.0373 -14.0373 -6.5504 -6.5504 -6.5502 -6.5502 -6.5416 -6.5416 -6.5406 -6.5406 -4.4117 -4.4117 -4.4081 -4.4081 -4.3823 -4.3823 -4.3793 -4.3793 -4.3678 -4.3678 -4.3639 -4.3639 -2.7561 -2.7561 -2.7550 -2.7550 -2.3960 -2.3960 -2.3932 -2.3932 -1.4320 -1.4320 -1.4300 -1.4300 -0.5197 -0.5197 -0.5177 -0.5177 1.3417 1.3417 1.3423 1.3423 3.4595 3.4595 3.4626 3.4626 4.2920 4.2920 4.2922 4.2922 7.8127 7.8127 7.8889 7.8889 9.0544 9.0544 9.2875 9.2875 10.0781 10.0781 10.1948 10.1948 k = 0.0481 0.4677 0.3888 ( 4854 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0374 -14.0374 -14.0374 -14.0374 -6.5503 -6.5503 -6.5501 -6.5501 -6.5418 -6.5418 -6.5405 -6.5405 -4.4123 -4.4123 -4.4079 -4.4079 -4.3823 -4.3823 -4.3788 -4.3788 -4.3680 -4.3680 -4.3633 -4.3633 -2.7549 -2.7549 -2.7536 -2.7536 -2.3976 -2.3976 -2.3942 -2.3942 -1.4329 -1.4329 -1.4305 -1.4305 -0.5226 -0.5226 -0.5203 -0.5203 1.3479 1.3479 1.3487 1.3487 3.4593 3.4593 3.4629 3.4629 4.2930 4.2930 4.2930 4.2930 7.7792 7.7792 7.8698 7.8698 9.0294 9.0294 9.3061 9.3061 10.0753 10.0753 10.2147 10.2147 k = 0.0577 0.4596 0.4013 ( 4854 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0374 -14.0374 -14.0374 -14.0374 -6.5503 -6.5503 -6.5501 -6.5501 -6.5419 -6.5419 -6.5404 -6.5404 -4.4128 -4.4128 -4.4078 -4.4078 -4.3823 -4.3823 -4.3785 -4.3785 -4.3680 -4.3680 -4.3627 -4.3627 -2.7535 -2.7535 -2.7519 -2.7519 -2.3994 -2.3994 -2.3955 -2.3955 -1.4339 -1.4339 -1.4312 -1.4312 -0.5261 -0.5261 -0.5233 -0.5233 1.3552 1.3552 1.3562 1.3562 3.4595 3.4595 3.4635 3.4635 4.2936 4.2936 4.2940 4.2940 7.7429 7.7429 7.8455 7.8455 9.0056 9.0056 9.3168 9.3168 10.0806 10.0806 10.2374 10.2374 k = 0.0673 0.4516 0.4138 ( 4854 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0375 -14.0375 -14.0375 -14.0375 -6.5503 -6.5503 -6.5500 -6.5500 -6.5420 -6.5420 -6.5403 -6.5403 -4.4132 -4.4132 -4.4078 -4.4078 -4.3821 -4.3821 -4.3782 -4.3782 -4.3678 -4.3678 -4.3622 -4.3622 -2.7518 -2.7518 -2.7499 -2.7499 -2.4014 -2.4014 -2.3970 -2.3970 -1.4351 -1.4351 -1.4320 -1.4320 -0.5299 -0.5299 -0.5268 -0.5268 1.3636 1.3636 1.3647 1.3647 3.4603 3.4603 3.4644 3.4644 4.2937 4.2937 4.2948 4.2948 7.7048 7.7048 7.8171 7.8171 8.9828 8.9828 9.3186 9.3186 10.0951 10.0951 10.2631 10.2631 k = 0.0769 0.4435 0.4264 ( 4850 PWs) bands (ev): -18.2954 -18.2954 -18.2954 -18.2954 -14.0375 -14.0375 -14.0375 -14.0375 -6.5503 -6.5503 -6.5500 -6.5500 -6.5421 -6.5421 -6.5403 -6.5403 -4.4136 -4.4136 -4.4078 -4.4078 -4.3818 -4.3818 -4.3780 -4.3780 -4.3675 -4.3675 -4.3616 -4.3616 -2.7498 -2.7498 -2.7477 -2.7477 -2.4036 -2.4036 -2.3988 -2.3988 -1.4363 -1.4363 -1.4329 -1.4329 -0.5341 -0.5341 -0.5307 -0.5307 1.3729 1.3729 1.3740 1.3740 3.4618 3.4618 3.4659 3.4659 4.2932 4.2932 4.2950 4.2950 7.6658 7.6658 7.7854 7.7854 8.9607 8.9607 9.3115 9.3115 10.1185 10.1185 10.2915 10.2915 k = 0.0865 0.4355 0.4389 ( 4848 PWs) bands (ev): -18.2953 -18.2953 -18.2953 -18.2953 -14.0376 -14.0376 -14.0376 -14.0376 -6.5502 -6.5502 -6.5500 -6.5500 -6.5423 -6.5423 -6.5402 -6.5402 -4.4140 -4.4140 -4.4078 -4.4078 -4.3815 -4.3815 -4.3780 -4.3780 -4.3671 -4.3671 -4.3611 -4.3611 -2.7476 -2.7476 -2.7454 -2.7454 -2.4059 -2.4059 -2.4008 -2.4008 -1.4377 -1.4377 -1.4340 -1.4340 -0.5385 -0.5385 -0.5349 -0.5349 1.3828 1.3828 1.3840 1.3840 3.4641 3.4641 3.4681 3.4681 4.2919 4.2919 4.2946 4.2946 7.6264 7.6264 7.7514 7.7514 8.9391 8.9391 9.2963 9.2963 10.1500 10.1500 10.3222 10.3222 k = 0.0962 0.4274 0.4515 ( 4854 PWs) bands (ev): -18.2953 -18.2953 -18.2953 -18.2953 -14.0377 -14.0377 -14.0377 -14.0377 -6.5502 -6.5502 -6.5499 -6.5499 -6.5424 -6.5424 -6.5402 -6.5402 -4.4143 -4.4143 -4.4080 -4.4080 -4.3811 -4.3811 -4.3780 -4.3780 -4.3666 -4.3666 -4.3607 -4.3607 -2.7452 -2.7452 -2.7429 -2.7429 -2.4084 -2.4084 -2.4030 -2.4030 -1.4391 -1.4391 -1.4353 -1.4353 -0.5432 -0.5432 -0.5394 -0.5394 1.3933 1.3933 1.3945 1.3945 3.4675 3.4675 3.4712 3.4712 4.2896 4.2896 4.2933 4.2933 7.5875 7.5875 7.7160 7.7160 8.9179 8.9179 9.2743 9.2743 10.1878 10.1878 10.3548 10.3548 k = 0.1058 0.4194 0.4640 ( 4852 PWs) bands (ev): -18.2953 -18.2953 -18.2953 -18.2953 -14.0378 -14.0378 -14.0377 -14.0377 -6.5501 -6.5501 -6.5499 -6.5499 -6.5425 -6.5425 -6.5402 -6.5402 -4.4146 -4.4146 -4.4081 -4.4081 -4.3807 -4.3807 -4.3780 -4.3780 -4.3659 -4.3659 -4.3603 -4.3603 -2.7427 -2.7427 -2.7402 -2.7402 -2.4110 -2.4110 -2.4053 -2.4053 -1.4406 -1.4406 -1.4366 -1.4366 -0.5479 -0.5479 -0.5440 -0.5440 1.4041 1.4041 1.4053 1.4053 3.4720 3.4720 3.4753 3.4753 4.2861 4.2861 4.2909 4.2909 7.5497 7.5497 7.6799 7.6799 8.8973 8.8973 9.2471 9.2471 10.2301 10.2301 10.3885 10.3885 k = 0.1154 0.4113 0.4765 ( 4854 PWs) bands (ev): -18.2953 -18.2953 -18.2953 -18.2953 -14.0378 -14.0378 -14.0378 -14.0378 -6.5500 -6.5500 -6.5498 -6.5498 -6.5426 -6.5426 -6.5402 -6.5402 -4.4147 -4.4147 -4.4083 -4.4083 -4.3802 -4.3802 -4.3781 -4.3781 -4.3653 -4.3653 -4.3599 -4.3599 -2.7400 -2.7400 -2.7374 -2.7374 -2.4136 -2.4136 -2.4078 -2.4078 -1.4421 -1.4421 -1.4381 -1.4381 -0.5527 -0.5527 -0.5487 -0.5487 1.4150 1.4150 1.4162 1.4162 3.4777 3.4777 3.4805 3.4805 4.2814 4.2814 4.2873 4.2873 7.5135 7.5135 7.6437 7.6437 8.8774 8.8774 9.2160 9.2160 10.2750 10.2750 10.4229 10.4229 k = 0.1250 0.4033 0.4891 ( 4850 PWs) bands (ev): -18.2952 -18.2952 -18.2952 -18.2952 -14.0379 -14.0379 -14.0379 -14.0379 -6.5500 -6.5500 -6.5498 -6.5498 -6.5426 -6.5426 -6.5402 -6.5402 -4.4148 -4.4148 -4.4085 -4.4085 -4.3798 -4.3798 -4.3782 -4.3782 -4.3646 -4.3646 -4.3596 -4.3596 -2.7372 -2.7372 -2.7346 -2.7346 -2.4163 -2.4163 -2.4105 -2.4105 -1.4436 -1.4436 -1.4397 -1.4397 -0.5574 -0.5574 -0.5535 -0.5535 1.4259 1.4259 1.4272 1.4272 3.4847 3.4847 3.4868 3.4868 4.2754 4.2754 4.2825 4.2825 7.4793 7.4793 7.6081 7.6081 8.8583 8.8583 9.1823 9.1823 10.3211 10.3211 10.4571 10.4571 k = 0.1346 0.3952 0.5016 ( 4846 PWs) bands (ev): -18.2952 -18.2952 -18.2952 -18.2952 -14.0380 -14.0380 -14.0380 -14.0380 -6.5499 -6.5499 -6.5497 -6.5497 -6.5427 -6.5427 -6.5402 -6.5402 -4.4149 -4.4149 -4.4087 -4.4087 -4.3794 -4.3794 -4.3783 -4.3783 -4.3639 -4.3639 -4.3594 -4.3594 -2.7343 -2.7343 -2.7317 -2.7317 -2.4189 -2.4189 -2.4132 -2.4132 -1.4452 -1.4452 -1.4413 -1.4413 -0.5620 -0.5620 -0.5581 -0.5581 1.4367 1.4367 1.4379 1.4379 3.4929 3.4929 3.4942 3.4942 4.2680 4.2680 4.2762 4.2762 7.4475 7.4475 7.5735 7.5735 8.8404 8.8404 9.1471 9.1471 10.3670 10.3670 10.4905 10.4905 k = 0.1442 0.3872 0.5142 ( 4846 PWs) bands (ev): -18.2952 -18.2952 -18.2952 -18.2952 -14.0381 -14.0381 -14.0380 -14.0380 -6.5498 -6.5498 -6.5497 -6.5497 -6.5427 -6.5427 -6.5403 -6.5403 -4.4148 -4.4148 -4.4090 -4.4090 -4.3789 -4.3789 -4.3784 -4.3784 -4.3633 -4.3633 -4.3592 -4.3592 -2.7314 -2.7314 -2.7289 -2.7289 -2.4215 -2.4215 -2.4159 -2.4159 -1.4467 -1.4467 -1.4429 -1.4429 -0.5665 -0.5665 -0.5627 -0.5627 1.4471 1.4471 1.4482 1.4482 3.5023 3.5023 3.5028 3.5028 4.2595 4.2595 4.2686 4.2686 7.4185 7.4185 7.5402 7.5402 8.8239 8.8239 9.1111 9.1111 10.4115 10.4115 10.5225 10.5225 k = 0.1538 0.3791 0.5267 ( 4846 PWs) bands (ev): -18.2952 -18.2952 -18.2952 -18.2952 -14.0381 -14.0381 -14.0381 -14.0381 -6.5497 -6.5497 -6.5497 -6.5497 -6.5427 -6.5427 -6.5403 -6.5403 -4.4148 -4.4148 -4.4092 -4.4092 -4.3785 -4.3785 -4.3785 -4.3785 -4.3626 -4.3626 -4.3590 -4.3590 -2.7286 -2.7286 -2.7261 -2.7261 -2.4240 -2.4240 -2.4186 -2.4186 -1.4482 -1.4482 -1.4445 -1.4445 -0.5707 -0.5707 -0.5671 -0.5671 1.4571 1.4571 1.4581 1.4581 3.5125 3.5125 3.5127 3.5127 4.2498 4.2498 4.2597 4.2597 7.3925 7.3925 7.5085 7.5085 8.8090 8.8090 9.0750 9.0750 10.4538 10.4538 10.5527 10.5527 k = 0.1635 0.3711 0.5392 ( 4858 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0382 -14.0382 -14.0382 -14.0382 -6.5497 -6.5497 -6.5496 -6.5496 -6.5427 -6.5427 -6.5404 -6.5404 -4.4146 -4.4146 -4.4095 -4.4095 -4.3785 -4.3785 -4.3782 -4.3782 -4.3621 -4.3621 -4.3589 -4.3589 -2.7258 -2.7258 -2.7234 -2.7234 -2.4264 -2.4264 -2.4213 -2.4213 -1.4496 -1.4496 -1.4462 -1.4462 -0.5746 -0.5746 -0.5712 -0.5712 1.4664 1.4664 1.4674 1.4674 3.5230 3.5230 3.5240 3.5240 4.2392 4.2392 4.2496 4.2496 7.3697 7.3697 7.4786 7.4786 8.7961 8.7961 9.0394 9.0394 10.4932 10.4932 10.5805 10.5805 k = 0.1731 0.3630 0.5518 ( 4860 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0383 -14.0383 -14.0383 -14.0383 -6.5496 -6.5496 -6.5496 -6.5496 -6.5427 -6.5427 -6.5405 -6.5405 -4.4145 -4.4145 -4.4097 -4.4097 -4.3785 -4.3785 -4.3779 -4.3779 -4.3615 -4.3615 -4.3588 -4.3588 -2.7231 -2.7231 -2.7209 -2.7209 -2.4287 -2.4287 -2.4239 -2.4239 -1.4509 -1.4509 -1.4477 -1.4477 -0.5782 -0.5782 -0.5751 -0.5751 1.4751 1.4751 1.4759 1.4759 3.5342 3.5342 3.5358 3.5358 4.2279 4.2279 4.2386 4.2386 7.3502 7.3502 7.4508 7.4508 8.7855 8.7855 9.0049 9.0049 10.5293 10.5293 10.6056 10.6056 k = 0.1827 0.3550 0.5643 ( 4868 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0383 -14.0383 -14.0383 -14.0383 -6.5496 -6.5496 -6.5496 -6.5496 -6.5426 -6.5426 -6.5407 -6.5407 -4.4142 -4.4142 -4.4100 -4.4100 -4.3784 -4.3784 -4.3776 -4.3776 -4.3611 -4.3611 -4.3588 -4.3588 -2.7205 -2.7205 -2.7185 -2.7185 -2.4307 -2.4307 -2.4264 -2.4264 -1.4521 -1.4521 -1.4492 -1.4492 -0.5815 -0.5815 -0.5786 -0.5786 1.4829 1.4829 1.4836 1.4836 3.5458 3.5458 3.5479 3.5479 4.2164 4.2164 4.2270 4.2270 7.3340 7.3340 7.4251 7.4251 8.7773 8.7773 8.9717 8.9717 10.5618 10.5618 10.6277 10.6277 k = 0.1923 0.3469 0.5769 ( 4866 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0384 -14.0384 -14.0384 -14.0384 -6.5495 -6.5495 -6.5495 -6.5495 -6.5426 -6.5426 -6.5408 -6.5408 -4.4140 -4.4140 -4.4103 -4.4103 -4.3784 -4.3784 -4.3775 -4.3775 -4.3606 -4.3606 -4.3588 -4.3588 -2.7181 -2.7181 -2.7163 -2.7163 -2.4325 -2.4325 -2.4287 -2.4287 -1.4531 -1.4531 -1.4506 -1.4506 -0.5843 -0.5843 -0.5818 -0.5818 1.4898 1.4898 1.4904 1.4904 3.5573 3.5573 3.5598 3.5598 4.2050 4.2050 4.2153 4.2153 7.3212 7.3212 7.4016 7.4016 8.7718 8.7718 8.9402 8.9402 10.5907 10.5907 10.6466 10.6466 k = 0.2019 0.3389 0.5894 ( 4872 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0384 -14.0384 -14.0384 -14.0384 -6.5495 -6.5495 -6.5495 -6.5495 -6.5425 -6.5425 -6.5410 -6.5410 -4.4137 -4.4137 -4.4106 -4.4106 -4.3783 -4.3783 -4.3773 -4.3773 -4.3603 -4.3603 -4.3588 -4.3588 -2.7160 -2.7160 -2.7145 -2.7145 -2.4340 -2.4340 -2.4308 -2.4308 -1.4540 -1.4540 -1.4519 -1.4519 -0.5867 -0.5867 -0.5846 -0.5846 1.4957 1.4957 1.4963 1.4963 3.5685 3.5685 3.5711 3.5711 4.1943 4.1943 4.2037 4.2037 7.3117 7.3117 7.3805 7.3805 8.7691 8.7691 8.9108 8.9108 10.6158 10.6158 10.6621 10.6621 k = 0.2115 0.3308 0.6019 ( 4876 PWs) bands (ev): -18.2951 -18.2951 -18.2951 -18.2951 -14.0385 -14.0385 -14.0385 -14.0385 -6.5495 -6.5495 -6.5494 -6.5494 -6.5424 -6.5424 -6.5411 -6.5411 -4.4134 -4.4134 -4.4109 -4.4109 -4.3781 -4.3781 -4.3773 -4.3773 -4.3599 -4.3599 -4.3588 -4.3588 -2.7142 -2.7142 -2.7129 -2.7129 -2.4352 -2.4352 -2.4326 -2.4326 -1.4547 -1.4547 -1.4530 -1.4530 -0.5887 -0.5887 -0.5870 -0.5870 1.5007 1.5007 1.5011 1.5011 3.5787 3.5787 3.5813 3.5813 4.1847 4.1847 4.1929 4.1929 7.3055 7.3055 7.3617 7.3617 8.7694 8.7694 8.8836 8.8836 10.6371 10.6371 10.6740 10.6740 k = 0.2212 0.3228 0.6145 ( 4876 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5495 -6.5495 -6.5494 -6.5494 -6.5423 -6.5423 -6.5413 -6.5413 -4.4131 -4.4131 -4.4112 -4.4112 -4.3780 -4.3780 -4.3773 -4.3773 -4.3597 -4.3597 -4.3589 -4.3589 -2.7127 -2.7127 -2.7117 -2.7117 -2.4361 -2.4361 -2.4341 -2.4341 -1.4553 -1.4553 -1.4539 -1.4539 -0.5902 -0.5902 -0.5889 -0.5889 1.5046 1.5046 1.5049 1.5049 3.5875 3.5875 3.5897 3.5897 4.1769 4.1769 4.1834 4.1834 7.3025 7.3025 7.3453 7.3453 8.7729 8.7729 8.8590 8.8590 10.6547 10.6547 10.6824 10.6824 k = 0.2308 0.3147 0.6270 ( 4876 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5494 -6.5494 -6.5494 -6.5494 -6.5421 -6.5421 -6.5414 -6.5414 -4.4128 -4.4128 -4.4115 -4.4115 -4.3778 -4.3778 -4.3773 -4.3773 -4.3595 -4.3595 -4.3589 -4.3589 -2.7116 -2.7116 -2.7109 -2.7109 -2.4367 -2.4367 -2.4354 -2.4354 -1.4556 -1.4556 -1.4547 -1.4547 -0.5912 -0.5912 -0.5903 -0.5903 1.5074 1.5074 1.5076 1.5076 3.5944 3.5944 3.5961 3.5961 4.1712 4.1712 4.1758 4.1758 7.3025 7.3025 7.3314 7.3314 8.7794 8.7794 8.8371 8.8371 10.6686 10.6686 10.6870 10.6870 k = 0.2404 0.3067 0.6396 ( 4862 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5494 -6.5494 -6.5494 -6.5494 -6.5419 -6.5419 -6.5416 -6.5416 -4.4124 -4.4124 -4.4118 -4.4118 -4.3776 -4.3776 -4.3774 -4.3774 -4.3593 -4.3593 -4.3590 -4.3590 -2.7108 -2.7108 -2.7105 -2.7105 -2.4369 -2.4369 -2.4362 -2.4362 -1.4557 -1.4557 -1.4552 -1.4552 -0.5917 -0.5917 -0.5912 -0.5912 1.5091 1.5091 1.5092 1.5092 3.5990 3.5990 3.5998 3.5998 4.1681 4.1681 4.1705 4.1705 7.3056 7.3056 7.3201 7.3201 8.7892 8.7892 8.8181 8.8181 10.6788 10.6788 10.6880 10.6880 k = 0.2500 0.2986 0.6521 ( 4860 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5494 -6.5494 -6.5494 -6.5494 -6.5418 -6.5418 -6.5418 -6.5418 -4.4121 -4.4121 -4.4121 -4.4121 -4.3775 -4.3775 -4.3775 -4.3775 -4.3591 -4.3591 -4.3591 -4.3591 -2.7104 -2.7104 -2.7104 -2.7104 -2.4368 -2.4368 -2.4368 -2.4368 -1.4556 -1.4556 -1.4556 -1.4556 -0.5917 -0.5917 -0.5917 -0.5917 1.5097 1.5097 1.5097 1.5097 3.6008 3.6008 3.6008 3.6008 4.1679 4.1679 4.1679 4.1679 7.3115 7.3115 7.3115 7.3115 8.8021 8.8021 8.8021 8.8021 10.6852 10.6852 10.6852 10.6852 k = 0.2500 0.2986 0.6521 ( 4860 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5494 -6.5494 -6.5494 -6.5494 -6.5418 -6.5418 -6.5418 -6.5418 -4.4121 -4.4121 -4.4121 -4.4121 -4.3775 -4.3775 -4.3775 -4.3775 -4.3591 -4.3591 -4.3591 -4.3591 -2.7104 -2.7104 -2.7104 -2.7104 -2.4368 -2.4368 -2.4368 -2.4368 -1.4556 -1.4556 -1.4556 -1.4556 -0.5917 -0.5917 -0.5917 -0.5917 1.5097 1.5097 1.5097 1.5097 3.6008 3.6008 3.6008 3.6008 4.1679 4.1679 4.1679 4.1679 7.3115 7.3115 7.3115 7.3115 8.8021 8.8021 8.8021 8.8021 10.6852 10.6852 10.6852 10.6852 k = 0.2574 0.3074 0.6384 ( 4866 PWs) bands (ev): -18.2958 -18.2958 -18.2942 -18.2942 -14.0387 -14.0387 -14.0384 -14.0384 -6.5501 -6.5501 -6.5488 -6.5488 -6.5420 -6.5420 -6.5415 -6.5415 -4.4126 -4.4126 -4.4120 -4.4120 -4.3781 -4.3781 -4.3767 -4.3767 -4.3607 -4.3607 -4.3574 -4.3574 -2.7200 -2.7200 -2.7011 -2.7011 -2.4500 -2.4500 -2.4231 -2.4231 -1.4648 -1.4648 -1.4463 -1.4463 -0.6028 -0.6028 -0.5800 -0.5800 1.4861 1.4861 1.5322 1.5322 3.5853 3.5853 3.6148 3.6148 4.1517 4.1517 4.1862 4.1862 7.2981 7.2981 7.3259 7.3259 8.7307 8.7307 8.8757 8.8757 10.6614 10.6614 10.7052 10.7052 k = 0.2647 0.3162 0.6247 ( 4868 PWs) bands (ev): -18.2966 -18.2966 -18.2934 -18.2934 -14.0389 -14.0389 -14.0382 -14.0382 -6.5508 -6.5508 -6.5481 -6.5481 -6.5422 -6.5422 -6.5413 -6.5413 -4.4134 -4.4134 -4.4123 -4.4123 -4.3786 -4.3786 -4.3758 -4.3758 -4.3619 -4.3619 -4.3555 -4.3555 -2.7288 -2.7288 -2.6930 -2.6930 -2.4632 -2.4632 -2.4088 -2.4088 -1.4727 -1.4727 -1.4381 -1.4381 -0.6132 -0.6132 -0.5676 -0.5676 1.4626 1.4626 1.5520 1.5520 3.5666 3.5666 3.6296 3.6296 4.1407 4.1407 4.2034 4.2034 7.2856 7.2856 7.3417 7.3417 8.6630 8.6630 8.9497 8.9497 10.6350 10.6350 10.7207 10.7207 k = 0.2721 0.3250 0.6111 ( 4868 PWs) bands (ev): -18.2973 -18.2973 -18.2927 -18.2927 -14.0391 -14.0391 -14.0380 -14.0380 -6.5516 -6.5516 -6.5476 -6.5476 -6.5423 -6.5423 -6.5410 -6.5410 -4.4145 -4.4145 -4.4129 -4.4129 -4.3788 -4.3788 -4.3749 -4.3749 -4.3627 -4.3627 -4.3537 -4.3537 -2.7369 -2.7369 -2.6862 -2.6862 -2.4763 -2.4763 -2.3938 -2.3938 -1.4792 -1.4792 -1.4311 -1.4311 -0.6231 -0.6231 -0.5547 -0.5547 1.4392 1.4392 1.5686 1.5686 3.5458 3.5458 3.6452 3.6452 4.1343 4.1343 4.2196 4.2196 7.2739 7.2739 7.3587 7.3587 8.5996 8.5996 9.0236 9.0236 10.6068 10.6068 10.7316 10.7316 k = 0.2794 0.3337 0.5974 ( 4868 PWs) bands (ev): -18.2980 -18.2980 -18.2921 -18.2921 -14.0392 -14.0392 -14.0378 -14.0378 -6.5524 -6.5524 -6.5471 -6.5471 -6.5424 -6.5424 -6.5408 -6.5408 -4.4158 -4.4158 -4.4137 -4.4137 -4.3789 -4.3789 -4.3744 -4.3744 -4.3628 -4.3628 -4.3517 -4.3517 -2.7442 -2.7442 -2.6810 -2.6810 -2.4891 -2.4891 -2.3783 -2.3783 -1.4843 -1.4843 -1.4251 -1.4251 -0.6323 -0.6323 -0.5414 -0.5414 1.4161 1.4161 1.5813 1.5813 3.5244 3.5244 3.6614 3.6614 4.1320 4.1320 4.2347 4.2347 7.2629 7.2629 7.3767 7.3767 8.5408 8.5408 9.0969 9.0969 10.5775 10.5775 10.7382 10.7382 k = 0.2868 0.3425 0.5837 ( 4866 PWs) bands (ev): -18.2987 -18.2987 -18.2914 -18.2914 -14.0394 -14.0394 -14.0376 -14.0376 -6.5532 -6.5532 -6.5467 -6.5467 -6.5424 -6.5424 -6.5405 -6.5405 -4.4174 -4.4174 -4.4147 -4.4147 -4.3789 -4.3789 -4.3744 -4.3744 -4.3622 -4.3622 -4.3498 -4.3498 -2.7507 -2.7507 -2.6774 -2.6774 -2.5014 -2.5014 -2.3622 -2.3622 -1.4878 -1.4878 -1.4202 -1.4202 -0.6410 -0.6410 -0.5278 -0.5278 1.3934 1.3934 1.5894 1.5894 3.5039 3.5039 3.6783 3.6783 4.1331 4.1331 4.2485 4.2485 7.2526 7.2526 7.3958 7.3958 8.4870 8.4870 9.1689 9.1689 10.5474 10.5474 10.7410 10.7410 k = 0.2941 0.3513 0.5700 ( 4863 PWs) bands (ev): -18.2992 -18.2992 -18.2908 -18.2908 -14.0395 -14.0395 -14.0374 -14.0374 -6.5540 -6.5540 -6.5465 -6.5465 -6.5423 -6.5423 -6.5401 -6.5401 -4.4191 -4.4191 -4.4159 -4.4159 -4.3788 -4.3788 -4.3746 -4.3746 -4.3609 -4.3609 -4.3479 -4.3479 -2.7563 -2.7563 -2.6756 -2.6756 -2.5131 -2.5131 -2.3459 -2.3459 -1.4898 -1.4898 -1.4162 -1.4162 -0.6491 -0.6491 -0.5141 -0.5141 1.3713 1.3713 1.5923 1.5923 3.4857 3.4857 3.6957 3.6957 4.1370 4.1370 4.2611 4.2611 7.2429 7.2429 7.4157 7.4157 8.4385 8.4385 9.2391 9.2391 10.5169 10.5169 10.7405 10.7405 k = 0.3015 0.3601 0.5563 ( 4855 PWs) bands (ev): -18.2998 -18.2998 -18.2903 -18.2903 -14.0396 -14.0396 -14.0372 -14.0372 -6.5548 -6.5548 -6.5463 -6.5463 -6.5422 -6.5422 -6.5398 -6.5398 -4.4209 -4.4209 -4.4171 -4.4171 -4.3787 -4.3787 -4.3750 -4.3750 -4.3591 -4.3591 -4.3460 -4.3460 -2.7610 -2.7610 -2.6756 -2.6756 -2.5242 -2.5242 -2.3293 -2.3293 -1.4903 -1.4903 -1.4132 -1.4132 -0.6567 -0.6567 -0.5005 -0.5005 1.3498 1.3498 1.5897 1.5897 3.4710 3.4710 3.7135 3.7135 4.1431 4.1431 4.2723 4.2723 7.2338 7.2338 7.4365 7.4365 8.3957 8.3957 9.3071 9.3071 10.4863 10.4863 10.7375 10.7375 k = 0.3088 0.3689 0.5426 ( 4853 PWs) bands (ev): -18.3003 -18.3003 -18.2898 -18.2898 -14.0398 -14.0398 -14.0371 -14.0371 -6.5557 -6.5557 -6.5463 -6.5463 -6.5419 -6.5419 -6.5394 -6.5394 -4.4228 -4.4228 -4.4184 -4.4184 -4.3787 -4.3787 -4.3753 -4.3753 -4.3571 -4.3571 -4.3442 -4.3442 -2.7647 -2.7647 -2.6774 -2.6774 -2.5344 -2.5344 -2.3125 -2.3125 -1.4893 -1.4893 -1.4110 -1.4110 -0.6637 -0.6637 -0.4871 -0.4871 1.3293 1.3293 1.5809 1.5809 3.4606 3.4606 3.7316 3.7316 4.1511 4.1511 4.2820 4.2820 7.2251 7.2251 7.4581 7.4581 8.3589 8.3589 9.3722 9.3722 10.4557 10.4557 10.7321 10.7321 k = 0.3162 0.3777 0.5290 ( 4852 PWs) bands (ev): -18.3007 -18.3007 -18.2894 -18.2894 -14.0399 -14.0399 -14.0369 -14.0369 -6.5565 -6.5565 -6.5463 -6.5463 -6.5416 -6.5416 -6.5390 -6.5390 -4.4248 -4.4248 -4.4197 -4.4197 -4.3788 -4.3788 -4.3754 -4.3754 -4.3549 -4.3549 -4.3425 -4.3425 -2.7675 -2.7675 -2.6811 -2.6811 -2.5436 -2.5436 -2.2959 -2.2959 -1.4868 -1.4868 -1.4096 -1.4096 -0.6701 -0.6701 -0.4740 -0.4740 1.3097 1.3097 1.5659 1.5659 3.4553 3.4553 3.7500 3.7500 4.1606 4.1606 4.2901 4.2901 7.2169 7.2169 7.4806 7.4806 8.3281 8.3281 9.4341 9.4341 10.4253 10.4253 10.7243 10.7243 k = 0.3235 0.3864 0.5153 ( 4849 PWs) bands (ev): -18.3011 -18.3011 -18.2890 -18.2890 -14.0400 -14.0400 -14.0368 -14.0368 -6.5573 -6.5573 -6.5464 -6.5464 -6.5412 -6.5412 -6.5386 -6.5386 -4.4269 -4.4269 -4.4210 -4.4210 -4.3789 -4.3789 -4.3752 -4.3752 -4.3525 -4.3525 -4.3408 -4.3408 -2.7694 -2.7694 -2.6865 -2.6865 -2.5520 -2.5520 -2.2794 -2.2794 -1.4829 -1.4829 -1.4089 -1.4089 -0.6761 -0.6761 -0.4614 -0.4614 1.2914 1.2914 1.5446 1.5446 3.4553 3.4553 3.7686 3.7686 4.1714 4.1714 4.2966 4.2966 7.2090 7.2090 7.5040 7.5040 8.3035 8.3035 9.4923 9.4923 10.3952 10.3952 10.7134 10.7134 k = 0.3309 0.3952 0.5016 ( 4846 PWs) bands (ev): -18.3014 -18.3014 -18.2887 -18.2887 -14.0400 -14.0400 -14.0366 -14.0366 -6.5581 -6.5581 -6.5466 -6.5466 -6.5408 -6.5408 -6.5381 -6.5381 -4.4289 -4.4289 -4.4223 -4.4223 -4.3792 -4.3792 -4.3749 -4.3749 -4.3501 -4.3501 -4.3393 -4.3393 -2.7703 -2.7703 -2.6935 -2.6935 -2.5594 -2.5594 -2.2633 -2.2633 -1.4778 -1.4778 -1.4089 -1.4089 -0.6815 -0.6815 -0.4494 -0.4494 1.2744 1.2744 1.5170 1.5170 3.4607 3.4607 3.7873 3.7873 4.1835 4.1835 4.3014 4.3014 7.2016 7.2016 7.5284 7.5284 8.2852 8.2852 9.5465 9.5465 10.3655 10.3655 10.6980 10.6980 k = 0.3382 0.4040 0.4879 ( 4851 PWs) bands (ev): -18.3017 -18.3017 -18.2884 -18.2884 -14.0401 -14.0401 -14.0365 -14.0365 -6.5590 -6.5590 -6.5468 -6.5468 -6.5404 -6.5404 -6.5377 -6.5377 -4.4309 -4.4309 -4.4236 -4.4236 -4.3793 -4.3793 -4.3744 -4.3744 -4.3477 -4.3477 -4.3379 -4.3379 -2.7702 -2.7702 -2.7017 -2.7017 -2.5659 -2.5659 -2.2476 -2.2476 -1.4716 -1.4716 -1.4094 -1.4094 -0.6864 -0.6864 -0.4381 -0.4381 1.2590 1.2590 1.4835 1.4835 3.4712 3.4712 3.8060 3.8060 4.1967 4.1967 4.3043 4.3043 7.1946 7.1946 7.5540 7.5540 8.2730 8.2730 9.5964 9.5964 10.3363 10.3363 10.6758 10.6758 k = 0.3456 0.4128 0.4742 ( 4843 PWs) bands (ev): -18.3019 -18.3019 -18.2881 -18.2881 -14.0402 -14.0402 -14.0364 -14.0364 -6.5598 -6.5598 -6.5470 -6.5470 -6.5400 -6.5400 -6.5371 -6.5371 -4.4329 -4.4329 -4.4248 -4.4248 -4.3794 -4.3794 -4.3739 -4.3739 -4.3453 -4.3453 -4.3366 -4.3366 -2.7691 -2.7691 -2.7111 -2.7111 -2.5718 -2.5718 -2.2325 -2.2325 -1.4646 -1.4646 -1.4102 -1.4102 -0.6908 -0.6908 -0.4277 -0.4277 1.2453 1.2453 1.4445 1.4445 3.4865 3.4865 3.8247 3.8247 4.2112 4.2112 4.3053 4.3053 7.1881 7.1881 7.5808 7.5808 8.2667 8.2667 9.6421 9.6421 10.3076 10.3076 10.6454 10.6454 k = 0.3529 0.4216 0.4606 ( 4841 PWs) bands (ev): -18.3021 -18.3021 -18.2879 -18.2879 -14.0402 -14.0402 -14.0363 -14.0363 -6.5605 -6.5605 -6.5472 -6.5472 -6.5397 -6.5397 -6.5366 -6.5366 -4.4349 -4.4349 -4.4261 -4.4261 -4.3794 -4.3794 -4.3734 -4.3734 -4.3429 -4.3429 -4.3354 -4.3354 -2.7670 -2.7670 -2.7212 -2.7212 -2.5769 -2.5769 -2.2180 -2.2180 -1.4572 -1.4572 -1.4109 -1.4109 -0.6946 -0.6946 -0.4182 -0.4182 1.2335 1.2335 1.4006 1.4006 3.5059 3.5059 3.8433 3.8433 4.2269 4.2269 4.3044 4.3044 7.1822 7.1822 7.6091 7.6091 8.2660 8.2660 9.6834 9.6834 10.2794 10.2794 10.6068 10.6068 k = 0.3603 0.4303 0.4469 ( 4845 PWs) bands (ev): -18.3022 -18.3022 -18.2877 -18.2877 -14.0402 -14.0402 -14.0362 -14.0362 -6.5613 -6.5613 -6.5475 -6.5475 -6.5393 -6.5393 -6.5360 -6.5360 -4.4368 -4.4368 -4.4272 -4.4272 -4.3792 -4.3792 -4.3728 -4.3728 -4.3406 -4.3406 -4.3342 -4.3342 -2.7641 -2.7641 -2.7319 -2.7319 -2.5816 -2.5816 -2.2042 -2.2042 -1.4505 -1.4505 -1.4108 -1.4108 -0.6980 -0.6980 -0.4098 -0.4098 1.2236 1.2236 1.3522 1.3522 3.5287 3.5287 3.8618 3.8618 4.2441 4.2441 4.3016 4.3016 7.1771 7.1771 7.6389 7.6389 8.2708 8.2708 9.7204 9.7204 10.2516 10.2516 10.5621 10.5621 k = 0.3676 0.4391 0.4332 ( 4843 PWs) bands (ev): -18.3023 -18.3023 -18.2876 -18.2876 -14.0403 -14.0403 -14.0362 -14.0362 -6.5620 -6.5620 -6.5477 -6.5477 -6.5390 -6.5390 -6.5354 -6.5354 -4.4386 -4.4386 -4.4284 -4.4284 -4.3789 -4.3789 -4.3722 -4.3722 -4.3384 -4.3384 -4.3331 -4.3331 -2.7605 -2.7605 -2.7428 -2.7428 -2.5857 -2.5857 -2.1911 -2.1911 -1.4458 -1.4458 -1.4086 -1.4086 -0.7008 -0.7008 -0.4023 -0.4023 1.2158 1.2158 1.3002 1.3002 3.5540 3.5540 3.8802 3.8802 4.2628 4.2628 4.2970 4.2970 7.1729 7.1729 7.6703 7.6703 8.2806 8.2806 9.7532 9.7532 10.2242 10.2242 10.5136 10.5136 k = 0.3750 0.4479 0.4195 ( 4843 PWs) bands (ev): -18.3024 -18.3024 -18.2875 -18.2875 -14.0403 -14.0403 -14.0361 -14.0361 -6.5627 -6.5627 -6.5480 -6.5480 -6.5387 -6.5387 -6.5348 -6.5348 -4.4403 -4.4403 -4.4294 -4.4294 -4.3786 -4.3786 -4.3715 -4.3715 -4.3367 -4.3367 -4.3318 -4.3318 -2.7590 -2.7590 -2.7508 -2.7508 -2.5894 -2.5894 -2.1789 -2.1789 -1.4446 -1.4446 -1.4030 -1.4030 -0.7030 -0.7030 -0.3960 -0.3960 1.2101 1.2101 1.2450 1.2450 3.5810 3.5810 3.8983 3.8983 4.2813 4.2813 4.2927 4.2927 7.1698 7.1698 7.7033 7.7033 8.2952 8.2952 9.7819 9.7819 10.1971 10.1971 10.4633 10.4633 k = 0.3824 0.4567 0.4058 ( 4841 PWs) bands (ev): -18.3024 -18.3024 -18.2875 -18.2875 -14.0403 -14.0403 -14.0361 -14.0361 -6.5634 -6.5634 -6.5482 -6.5482 -6.5384 -6.5384 -6.5342 -6.5342 -4.4419 -4.4419 -4.4305 -4.4305 -4.3781 -4.3781 -4.3709 -4.3709 -4.3354 -4.3354 -4.3302 -4.3302 -2.7678 -2.7678 -2.7477 -2.7477 -2.5925 -2.5925 -2.1675 -2.1675 -1.4467 -1.4467 -1.3944 -1.3944 -0.7048 -0.7048 -0.3907 -0.3907 1.1862 1.1862 1.2079 1.2079 3.6087 3.6087 3.9163 3.9163 4.2797 4.2797 4.3089 4.3089 7.1680 7.1680 7.7379 7.7379 8.3142 8.3142 9.8061 9.8061 10.1701 10.1701 10.4133 10.4133 k = 0.3897 0.4655 0.3922 ( 4845 PWs) bands (ev): -18.3023 -18.3023 -18.2875 -18.2875 -14.0402 -14.0402 -14.0361 -14.0361 -6.5641 -6.5641 -6.5484 -6.5484 -6.5381 -6.5381 -6.5336 -6.5336 -4.4433 -4.4433 -4.4314 -4.4314 -4.3775 -4.3775 -4.3702 -4.3702 -4.3347 -4.3347 -4.3283 -4.3283 -2.7791 -2.7791 -2.7412 -2.7412 -2.5952 -2.5952 -2.1569 -2.1569 -1.4511 -1.4511 -1.3839 -1.3839 -0.7059 -0.7059 -0.3863 -0.3863 1.1266 1.1266 1.2066 1.2066 3.6363 3.6363 3.9340 3.9340 4.2696 4.2696 4.3342 4.3342 7.1674 7.1674 7.7739 7.7739 8.3375 8.3375 9.8255 9.8255 10.1430 10.1430 10.3655 10.3655 k = 0.3971 0.4743 0.3785 ( 4839 PWs) bands (ev): -18.3022 -18.3022 -18.2876 -18.2876 -14.0402 -14.0402 -14.0361 -14.0361 -6.5647 -6.5647 -6.5487 -6.5487 -6.5378 -6.5378 -6.5330 -6.5330 -4.4447 -4.4447 -4.4323 -4.4323 -4.3769 -4.3769 -4.3695 -4.3695 -4.3344 -4.3344 -4.3262 -4.3262 -2.7906 -2.7906 -2.7336 -2.7336 -2.5972 -2.5972 -2.1472 -2.1472 -1.4571 -1.4571 -1.3726 -1.3726 -0.7065 -0.7065 -0.3829 -0.3829 1.0651 1.0651 1.2079 1.2079 3.6631 3.6631 3.9514 3.9514 4.2573 4.2573 4.3628 4.3628 7.1684 7.1684 7.8111 7.8111 8.3648 8.3648 9.8390 9.8390 10.1161 10.1161 10.3218 10.3218 k = 0.4044 0.4830 0.3648 ( 4843 PWs) bands (ev): -18.3021 -18.3021 -18.2877 -18.2877 -14.0402 -14.0402 -14.0361 -14.0361 -6.5652 -6.5652 -6.5489 -6.5489 -6.5375 -6.5375 -6.5324 -6.5324 -4.4459 -4.4459 -4.4332 -4.4332 -4.3762 -4.3762 -4.3689 -4.3689 -4.3343 -4.3343 -4.3240 -4.3240 -2.8020 -2.8020 -2.7251 -2.7251 -2.5987 -2.5987 -2.1383 -2.1383 -1.4644 -1.4644 -1.3608 -1.3608 -0.7065 -0.7065 -0.3803 -0.3803 1.0025 1.0025 1.2116 1.2116 3.6883 3.6883 3.9684 3.9684 4.2434 4.2434 4.3945 4.3945 7.1709 7.1709 7.8492 7.8492 8.3960 8.3960 9.8446 9.8446 10.0903 10.0903 10.2842 10.2842 k = 0.4118 0.4918 0.3511 ( 4839 PWs) bands (ev): -18.3019 -18.3019 -18.2878 -18.2878 -14.0401 -14.0401 -14.0362 -14.0362 -6.5658 -6.5658 -6.5491 -6.5491 -6.5373 -6.5373 -6.5318 -6.5318 -4.4470 -4.4470 -4.4340 -4.4340 -4.3754 -4.3754 -4.3682 -4.3682 -4.3346 -4.3346 -4.3218 -4.3218 -2.8133 -2.8133 -2.7157 -2.7157 -2.5995 -2.5995 -2.1302 -2.1302 -1.4729 -1.4729 -1.3490 -1.3490 -0.7058 -0.7058 -0.3783 -0.3783 0.9392 0.9392 1.2176 1.2176 3.7116 3.7116 3.9849 3.9849 4.2279 4.2279 4.4294 4.4294 7.1751 7.1751 7.8878 7.8878 8.4310 8.4310 9.8397 9.8397 10.0677 10.0677 10.2541 10.2541 k = 0.4191 0.5006 0.3374 ( 4847 PWs) bands (ev): -18.3017 -18.3017 -18.2879 -18.2879 -14.0400 -14.0400 -14.0362 -14.0362 -6.5663 -6.5663 -6.5493 -6.5493 -6.5370 -6.5370 -6.5312 -6.5312 -4.4480 -4.4480 -4.4347 -4.4347 -4.3746 -4.3746 -4.3675 -4.3675 -4.3350 -4.3350 -4.3197 -4.3197 -2.8243 -2.8243 -2.7056 -2.7056 -2.5996 -2.5996 -2.1229 -2.1229 -1.4824 -1.4824 -1.3376 -1.3376 -0.7046 -0.7046 -0.3769 -0.3769 0.8755 0.8755 1.2257 1.2257 3.7326 3.7326 4.0008 4.0008 4.2110 4.2110 4.4674 4.4674 7.1809 7.1809 7.9264 7.9264 8.4699 8.4699 9.8220 9.8220 10.0508 10.0508 10.2320 10.2320 k = 0.4265 0.5094 0.3237 ( 4844 PWs) bands (ev): -18.3014 -18.3014 -18.2881 -18.2881 -14.0400 -14.0400 -14.0363 -14.0363 -6.5667 -6.5667 -6.5495 -6.5495 -6.5368 -6.5368 -6.5305 -6.5305 -4.4488 -4.4488 -4.4353 -4.4353 -4.3738 -4.3738 -4.3668 -4.3668 -4.3356 -4.3356 -4.3176 -4.3176 -2.8351 -2.8351 -2.6948 -2.6948 -2.5990 -2.5990 -2.1165 -2.1165 -1.4929 -1.4929 -1.3266 -1.3266 -0.7026 -0.7026 -0.3757 -0.3757 0.8118 0.8118 1.2357 1.2357 3.7510 3.7510 4.0160 4.0160 4.1928 4.1928 4.5083 4.5083 7.1883 7.1883 7.9647 7.9647 8.5125 8.5125 9.7915 9.7915 10.0398 10.0398 10.2181 10.2181 k = 0.4338 0.5182 0.3101 ( 4852 PWs) bands (ev): -18.3012 -18.3012 -18.2883 -18.2883 -14.0399 -14.0399 -14.0364 -14.0364 -6.5671 -6.5671 -6.5498 -6.5498 -6.5366 -6.5366 -6.5300 -6.5300 -4.4495 -4.4495 -4.4359 -4.4359 -4.3731 -4.3731 -4.3661 -4.3661 -4.3363 -4.3363 -4.3156 -4.3156 -2.8456 -2.8456 -2.6834 -2.6834 -2.5975 -2.5975 -2.1107 -2.1107 -1.5044 -1.5044 -1.3162 -1.3162 -0.7000 -0.7000 -0.3747 -0.3747 0.7484 0.7484 1.2477 1.2477 3.7669 3.7669 4.0306 4.0306 4.1737 4.1737 4.5520 4.5520 7.1975 7.1975 8.0020 8.0020 8.5589 8.5589 9.7512 9.7512 10.0333 10.0333 10.2117 10.2117 k = 0.4412 0.5270 0.2964 ( 4842 PWs) bands (ev): -18.3008 -18.3008 -18.2886 -18.2886 -14.0398 -14.0398 -14.0364 -14.0364 -6.5674 -6.5674 -6.5499 -6.5499 -6.5364 -6.5364 -6.5294 -6.5294 -4.4500 -4.4500 -4.4364 -4.4364 -4.3723 -4.3723 -4.3654 -4.3654 -4.3372 -4.3372 -4.3137 -4.3137 -2.8557 -2.8557 -2.6713 -2.6713 -2.5952 -2.5952 -2.1056 -2.1056 -1.5170 -1.5170 -1.3067 -1.3067 -0.6966 -0.6966 -0.3736 -0.3736 0.6855 0.6855 1.2613 1.2613 3.7804 3.7804 4.0444 4.0444 4.1536 4.1536 4.5979 4.5979 7.2083 7.2083 8.0379 8.0379 8.6089 8.6089 9.7045 9.7045 10.0289 10.0289 10.2118 10.2118 k = 0.4485 0.5357 0.2827 ( 4846 PWs) bands (ev): -18.3005 -18.3005 -18.2889 -18.2889 -14.0397 -14.0397 -14.0365 -14.0365 -6.5677 -6.5677 -6.5501 -6.5501 -6.5362 -6.5362 -6.5288 -6.5288 -4.4505 -4.4505 -4.4368 -4.4368 -4.3715 -4.3715 -4.3647 -4.3647 -4.3382 -4.3382 -4.3120 -4.3120 -2.8654 -2.8654 -2.6588 -2.6588 -2.5921 -2.5921 -2.1013 -2.1013 -1.5305 -1.5305 -1.2981 -1.2981 -0.6924 -0.6924 -0.3723 -0.3723 0.6234 0.6234 1.2764 1.2764 3.7915 3.7915 4.0574 4.0574 4.1329 4.1329 4.6455 4.6455 7.2207 7.2207 8.0720 8.0720 8.6625 8.6625 9.6543 9.6543 10.0255 10.0255 10.2169 10.2169 k = 0.4559 0.5445 0.2690 ( 4844 PWs) bands (ev): -18.3001 -18.3001 -18.2892 -18.2892 -14.0396 -14.0396 -14.0366 -14.0366 -6.5680 -6.5680 -6.5503 -6.5503 -6.5361 -6.5361 -6.5283 -6.5283 -4.4507 -4.4507 -4.4372 -4.4372 -4.3707 -4.3707 -4.3641 -4.3641 -4.3394 -4.3394 -4.3103 -4.3103 -2.8747 -2.8747 -2.6460 -2.6460 -2.5881 -2.5881 -2.0976 -2.0976 -1.5451 -1.5451 -1.2905 -1.2905 -0.6873 -0.6873 -0.3707 -0.3707 0.5623 0.5623 1.2929 1.2929 3.8005 3.8005 4.0696 4.0696 4.1117 4.1117 4.6943 4.6943 7.2346 7.2346 8.1039 8.1039 8.7193 8.7193 9.6028 9.6028 10.0226 10.0226 10.2254 10.2254 k = 0.4632 0.5533 0.2553 ( 4846 PWs) bands (ev): -18.2997 -18.2997 -18.2895 -18.2895 -14.0395 -14.0395 -14.0367 -14.0367 -6.5682 -6.5682 -6.5505 -6.5505 -6.5359 -6.5359 -6.5278 -6.5278 -4.4509 -4.4509 -4.4375 -4.4375 -4.3700 -4.3700 -4.3635 -4.3635 -4.3406 -4.3406 -4.3088 -4.3088 -2.8837 -2.8837 -2.6328 -2.6328 -2.5831 -2.5831 -2.0946 -2.0946 -1.5607 -1.5607 -1.2839 -1.2839 -0.6814 -0.6814 -0.3685 -0.3685 0.5024 0.5024 1.3104 1.3104 3.8076 3.8076 4.0798 4.0798 4.0914 4.0914 4.7438 4.7438 7.2501 7.2501 8.1332 8.1332 8.7789 8.7789 9.5514 9.5514 10.0204 10.0204 10.2354 10.2354 k = 0.4706 0.5621 0.2417 ( 4844 PWs) bands (ev): -18.2993 -18.2993 -18.2899 -18.2899 -14.0394 -14.0394 -14.0368 -14.0368 -6.5683 -6.5683 -6.5507 -6.5507 -6.5358 -6.5358 -6.5274 -6.5274 -4.4509 -4.4509 -4.4378 -4.4378 -4.3693 -4.3693 -4.3629 -4.3629 -4.3419 -4.3419 -4.3074 -4.3074 -2.8921 -2.8921 -2.6195 -2.6195 -2.5773 -2.5773 -2.0921 -2.0921 -1.5772 -1.5772 -1.2783 -1.2783 -0.6744 -0.6744 -0.3658 -0.3658 0.4438 0.4438 1.3288 1.3288 3.8129 3.8129 4.0668 4.0668 4.0933 4.0933 4.7934 4.7934 7.2670 7.2670 8.1598 8.1598 8.8408 8.8408 9.5013 9.5013 10.0191 10.0191 10.2449 10.2449 k = 0.4779 0.5709 0.2280 ( 4843 PWs) bands (ev): -18.2988 -18.2988 -18.2903 -18.2903 -14.0392 -14.0392 -14.0369 -14.0369 -6.5684 -6.5684 -6.5508 -6.5508 -6.5356 -6.5356 -6.5269 -6.5269 -4.4508 -4.4508 -4.4380 -4.4380 -4.3687 -4.3687 -4.3624 -4.3624 -4.3432 -4.3432 -4.3062 -4.3062 -2.9001 -2.9001 -2.6062 -2.6062 -2.5704 -2.5704 -2.0902 -2.0902 -1.5947 -1.5947 -1.2737 -1.2737 -0.6665 -0.6665 -0.3625 -0.3625 0.3868 0.3868 1.3479 1.3479 3.8167 3.8167 4.0451 4.0451 4.1033 4.1033 4.8425 4.8425 7.2854 7.2854 8.1834 8.1834 8.9043 8.9043 9.4533 9.4533 10.0189 10.0189 10.2520 10.2520 k = 0.4853 0.5797 0.2143 ( 4844 PWs) bands (ev): -18.2984 -18.2984 -18.2907 -18.2907 -14.0391 -14.0391 -14.0370 -14.0370 -6.5685 -6.5685 -6.5510 -6.5510 -6.5355 -6.5355 -6.5265 -6.5265 -4.4506 -4.4506 -4.4381 -4.4381 -4.3681 -4.3681 -4.3620 -4.3620 -4.3446 -4.3446 -4.3052 -4.3052 -2.9076 -2.9076 -2.5931 -2.5931 -2.5626 -2.5626 -2.0888 -2.0888 -1.6130 -1.6130 -1.2701 -1.2701 -0.6573 -0.6573 -0.3586 -0.3586 0.3313 0.3313 1.3674 1.3674 3.8190 3.8190 4.0232 4.0232 4.1129 4.1129 4.8905 4.8905 7.3050 7.3050 8.2039 8.2039 8.9686 8.9686 9.4082 9.4082 10.0198 10.0198 10.2544 10.2544 k = 0.4926 0.5884 0.2006 ( 4846 PWs) bands (ev): -18.2979 -18.2979 -18.2912 -18.2912 -14.0390 -14.0390 -14.0371 -14.0371 -6.5685 -6.5685 -6.5512 -6.5512 -6.5354 -6.5354 -6.5261 -6.5261 -4.4503 -4.4503 -4.4381 -4.4381 -4.3676 -4.3676 -4.3616 -4.3616 -4.3460 -4.3460 -4.3043 -4.3043 -2.9145 -2.9145 -2.5803 -2.5803 -2.5539 -2.5539 -2.0880 -2.0880 -1.6321 -1.6321 -1.2673 -1.2673 -0.6470 -0.6470 -0.3540 -0.3540 0.2776 0.2776 1.3871 1.3871 3.8202 3.8202 4.0015 4.0015 4.1220 4.1220 4.9369 4.9369 7.3258 7.3258 8.2213 8.2213 9.0327 9.0327 9.3667 9.3667 10.0218 10.0218 10.2505 10.2505 k = 0.5000 0.5972 0.1869 ( 4840 PWs) bands (ev): -18.2974 -18.2974 -18.2916 -18.2916 -14.0389 -14.0389 -14.0372 -14.0372 -6.5684 -6.5684 -6.5513 -6.5513 -6.5354 -6.5354 -6.5258 -6.5258 -4.4498 -4.4498 -4.4381 -4.4381 -4.3671 -4.3671 -4.3613 -4.3613 -4.3474 -4.3474 -4.3036 -4.3036 -2.9209 -2.9209 -2.5680 -2.5680 -2.5442 -2.5442 -2.0876 -2.0876 -1.6520 -1.6520 -1.2653 -1.2653 -0.6353 -0.6353 -0.3489 -0.3489 0.2257 0.2257 1.4069 1.4069 3.8203 3.8203 3.9801 3.9801 4.1305 4.1305 4.9812 4.9812 7.3479 7.3479 8.2357 8.2357 9.0954 9.0954 9.3296 9.3296 10.0240 10.0240 10.2409 10.2409 k = 0.5000 0.5972 0.1869 ( 4840 PWs) bands (ev): -18.2974 -18.2974 -18.2916 -18.2916 -14.0389 -14.0389 -14.0372 -14.0372 -6.5684 -6.5684 -6.5513 -6.5513 -6.5354 -6.5354 -6.5258 -6.5258 -4.4498 -4.4498 -4.4381 -4.4381 -4.3671 -4.3671 -4.3613 -4.3613 -4.3474 -4.3474 -4.3036 -4.3036 -2.9209 -2.9209 -2.5680 -2.5680 -2.5442 -2.5442 -2.0876 -2.0876 -1.6520 -1.6520 -1.2653 -1.2653 -0.6353 -0.6353 -0.3489 -0.3489 0.2257 0.2257 1.4069 1.4069 3.8203 3.8203 3.9801 3.9801 4.1305 4.1305 4.9812 4.9812 7.3479 7.3479 8.2357 8.2357 9.0954 9.0954 9.3296 9.3296 10.0240 10.0240 10.2409 10.2409 k = 0.5000 0.5972 0.1699 ( 4844 PWs) bands (ev): -18.2968 -18.2968 -18.2922 -18.2922 -14.0388 -14.0388 -14.0373 -14.0373 -6.5684 -6.5684 -6.5515 -6.5515 -6.5353 -6.5353 -6.5255 -6.5255 -4.4492 -4.4492 -4.4381 -4.4381 -4.3665 -4.3665 -4.3610 -4.3610 -4.3491 -4.3491 -4.3029 -4.3029 -2.9282 -2.9282 -2.5536 -2.5536 -2.5311 -2.5311 -2.0875 -2.0875 -1.6768 -1.6768 -1.2639 -1.2639 -0.6193 -0.6193 -0.3418 -0.3418 0.1634 0.1634 1.4306 1.4306 3.8197 3.8197 3.9547 3.9547 4.1405 4.1405 5.0330 5.0330 7.3753 7.3753 8.2491 8.2491 9.1685 9.1685 9.2910 9.2910 10.0276 10.0276 10.2266 10.2266 k = 0.5000 0.5972 0.1529 ( 4852 PWs) bands (ev): -18.2962 -18.2962 -18.2927 -18.2927 -14.0387 -14.0387 -14.0374 -14.0374 -6.5683 -6.5683 -6.5517 -6.5517 -6.5352 -6.5352 -6.5251 -6.5251 -4.4486 -4.4486 -4.4381 -4.4381 -4.3660 -4.3660 -4.3608 -4.3608 -4.3506 -4.3506 -4.3022 -4.3022 -2.9349 -2.9349 -2.5402 -2.5402 -2.5176 -2.5176 -2.0874 -2.0874 -1.7012 -1.7012 -1.2633 -1.2633 -0.6016 -0.6016 -0.3343 -0.3343 0.1033 0.1033 1.4528 1.4528 3.8189 3.8189 3.9314 3.9314 4.1497 4.1497 5.0813 5.0813 7.4012 7.4012 8.2578 8.2578 9.2230 9.2230 9.2724 9.2724 10.0337 10.0337 10.2129 10.2129 k = 0.5000 0.5972 0.1360 ( 4854 PWs) bands (ev): -18.2957 -18.2957 -18.2932 -18.2932 -14.0386 -14.0386 -14.0375 -14.0375 -6.5682 -6.5682 -6.5518 -6.5518 -6.5351 -6.5351 -6.5248 -6.5248 -4.4481 -4.4481 -4.4381 -4.4381 -4.3654 -4.3654 -4.3606 -4.3606 -4.3521 -4.3521 -4.3015 -4.3015 -2.9410 -2.9410 -2.5275 -2.5275 -2.5041 -2.5041 -2.0872 -2.0872 -1.7248 -1.7248 -1.2634 -1.2634 -0.5824 -0.5824 -0.3268 -0.3268 0.0453 0.0453 1.4732 1.4732 3.8180 3.8180 3.9103 3.9103 4.1582 4.1582 5.1258 5.1258 7.4255 7.4255 8.2619 8.2619 9.2159 9.2159 9.3158 9.3158 10.0425 10.0425 10.2003 10.2003 k = 0.5000 0.5972 0.1190 ( 4854 PWs) bands (ev): -18.2953 -18.2953 -18.2936 -18.2936 -14.0385 -14.0385 -14.0376 -14.0376 -6.5681 -6.5681 -6.5520 -6.5520 -6.5351 -6.5351 -6.5245 -6.5245 -4.4475 -4.4475 -4.4382 -4.4382 -4.3649 -4.3649 -4.3606 -4.3606 -4.3533 -4.3533 -4.3009 -4.3009 -2.9464 -2.9464 -2.5155 -2.5155 -2.4911 -2.4911 -2.0871 -2.0871 -1.7471 -1.7471 -1.2640 -1.2640 -0.5615 -0.5615 -0.3194 -0.3194 -0.0102 -0.0102 1.4917 1.4917 3.8168 3.8168 3.8917 3.8917 4.1659 4.1659 5.1661 5.1661 7.4479 7.4479 8.2621 8.2621 9.1958 9.1958 9.3710 9.3710 10.0540 10.0540 10.1895 10.1895 k = 0.5000 0.5972 0.1020 ( 4866 PWs) bands (ev): -18.2949 -18.2949 -18.2940 -18.2940 -14.0384 -14.0384 -14.0377 -14.0377 -6.5681 -6.5681 -6.5521 -6.5521 -6.5350 -6.5350 -6.5243 -6.5243 -4.4470 -4.4470 -4.4384 -4.4384 -4.3643 -4.3643 -4.3606 -4.3606 -4.3544 -4.3544 -4.3003 -4.3003 -2.9512 -2.9512 -2.5044 -2.5044 -2.4792 -2.4792 -2.0870 -2.0870 -1.7678 -1.7678 -1.2649 -1.2649 -0.5389 -0.5389 -0.3126 -0.3126 -0.0632 -0.0632 1.5081 1.5081 3.8151 3.8151 3.8758 3.8758 4.1726 4.1726 5.2019 5.2019 7.4680 7.4680 8.2594 8.2594 9.1787 9.1787 9.4204 9.4204 10.0676 10.0676 10.1813 10.1813 k = 0.5000 0.5972 0.0850 ( 4868 PWs) bands (ev): -18.2945 -18.2945 -18.2943 -18.2943 -14.0384 -14.0384 -14.0377 -14.0377 -6.5680 -6.5680 -6.5522 -6.5522 -6.5350 -6.5350 -6.5241 -6.5241 -4.4465 -4.4465 -4.4386 -4.4386 -4.3638 -4.3638 -4.3607 -4.3607 -4.3553 -4.3553 -4.2999 -4.2999 -2.9552 -2.9552 -2.4944 -2.4944 -2.4684 -2.4684 -2.0869 -2.0869 -1.7864 -1.7864 -1.2658 -1.2658 -0.5146 -0.5146 -0.3066 -0.3066 -0.1135 -0.1135 1.5223 1.5223 3.8130 3.8130 3.8630 3.8630 4.1784 4.1784 5.2328 5.2328 7.4855 7.4855 8.2546 8.2546 9.1654 9.1654 9.4622 9.4622 10.0820 10.0820 10.1764 10.1764 k = 0.5000 0.5972 0.0680 ( 4864 PWs) bands (ev): -18.2946 -18.2946 -18.2942 -18.2942 -14.0384 -14.0384 -14.0377 -14.0377 -6.5680 -6.5680 -6.5523 -6.5523 -6.5349 -6.5349 -6.5239 -6.5239 -4.4461 -4.4461 -4.4387 -4.4387 -4.3634 -4.3634 -4.3608 -4.3608 -4.3561 -4.3561 -4.2995 -4.2995 -2.9585 -2.9585 -2.4856 -2.4856 -2.4591 -2.4591 -2.0869 -2.0869 -1.8025 -1.8025 -1.2668 -1.2668 -0.4887 -0.4887 -0.3016 -0.3016 -0.1605 -0.1605 1.5341 1.5341 3.8102 3.8102 3.8533 3.8533 4.1832 4.1832 5.2587 5.2587 7.5003 7.5003 8.2490 8.2490 9.1555 9.1555 9.4959 9.4959 10.0950 10.0950 10.1758 10.1758 k = 0.5000 0.5972 0.0510 ( 4862 PWs) bands (ev): -18.2948 -18.2948 -18.2940 -18.2940 -14.0383 -14.0383 -14.0377 -14.0377 -6.5680 -6.5680 -6.5524 -6.5524 -6.5349 -6.5349 -6.5238 -6.5238 -4.4457 -4.4457 -4.4389 -4.4389 -4.3629 -4.3629 -4.3610 -4.3610 -4.3566 -4.3566 -4.2992 -4.2992 -2.9611 -2.9611 -2.4785 -2.4785 -2.4516 -2.4516 -2.0868 -2.0868 -1.8157 -1.8157 -1.2677 -1.2677 -0.4616 -0.4616 -0.2983 -0.2983 -0.2035 -0.2035 1.5434 1.5434 3.8072 3.8072 3.8465 3.8465 4.1870 4.1870 5.2791 5.2791 7.5122 7.5122 8.2434 8.2434 9.1484 9.1484 9.5216 9.5216 10.1045 10.1045 10.1801 10.1801 k = 0.5000 0.5972 0.0340 ( 4864 PWs) bands (ev): -18.2949 -18.2949 -18.2939 -18.2939 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5524 -6.5524 -6.5349 -6.5349 -6.5237 -6.5237 -4.4454 -4.4454 -4.4390 -4.4390 -4.3625 -4.3625 -4.3613 -4.3613 -4.3570 -4.3570 -4.2989 -4.2989 -2.9630 -2.9630 -2.4733 -2.4733 -2.4460 -2.4460 -2.0868 -2.0868 -1.8254 -1.8254 -1.2684 -1.2684 -0.4345 -0.4345 -0.2978 -0.2978 -0.2401 -0.2401 1.5501 1.5501 3.8043 3.8043 3.8424 3.8424 4.1897 4.1897 5.2938 5.2938 7.5207 7.5207 8.2387 8.2387 9.1436 9.1436 9.5396 9.5396 10.1098 10.1098 10.1877 10.1877 k = 0.5000 0.5972 0.0170 ( 4862 PWs) bands (ev): -18.2950 -18.2950 -18.2938 -18.2938 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5525 -6.5525 -6.5349 -6.5349 -6.5236 -6.5236 -4.4453 -4.4453 -4.4391 -4.4391 -4.3622 -4.3622 -4.3616 -4.3616 -4.3572 -4.3572 -4.2988 -4.2988 -2.9641 -2.9641 -2.4701 -2.4701 -2.4425 -2.4425 -2.0867 -2.0867 -1.8314 -1.8314 -1.2688 -1.2688 -0.4106 -0.4106 -0.3030 -0.3030 -0.2642 -0.2642 1.5541 1.5541 3.8023 3.8023 3.8401 3.8401 4.1914 4.1914 5.3028 5.3028 7.5260 7.5260 8.2357 8.2357 9.1409 9.1409 9.5501 9.5501 10.1121 10.1121 10.1949 10.1949 k = 0.5000 0.5972 0.0000 ( 4878 PWs) bands (ev): -18.2951 -18.2951 -18.2937 -18.2937 -14.0383 -14.0383 -14.0377 -14.0377 -6.5679 -6.5679 -6.5525 -6.5525 -6.5349 -6.5349 -6.5237 -6.5237 -4.4452 -4.4452 -4.4392 -4.4392 -4.3619 -4.3619 -4.3618 -4.3618 -4.3573 -4.3573 -4.2988 -4.2988 -2.9645 -2.9645 -2.4691 -2.4691 -2.4413 -2.4413 -2.0868 -2.0868 -1.8334 -1.8334 -1.2689 -1.2689 -0.3995 -0.3995 -0.3090 -0.3090 -0.2711 -0.2711 1.5555 1.5555 3.8016 3.8016 3.8394 3.8394 4.1919 4.1919 5.3058 5.3058 7.5277 7.5277 8.2346 8.2346 9.1400 9.1400 9.5536 9.5536 10.1127 10.1127 10.1979 10.1979 k = 0.0000 0.0000 0.6521 ( 4850 PWs) bands (ev): -18.3131 -18.3131 -18.2768 -18.2768 -14.0425 -14.0425 -14.0347 -14.0347 -6.5699 -6.5699 -6.5482 -6.5482 -6.5371 -6.5371 -6.5369 -6.5369 -4.4601 -4.4601 -4.4514 -4.4514 -4.3918 -4.3918 -4.3623 -4.3623 -4.3162 -4.3162 -4.3037 -4.3037 -2.9120 -2.9120 -2.7022 -2.7022 -2.4865 -2.4865 -2.0896 -2.0896 -1.7220 -1.7220 -1.2567 -1.2567 -0.7697 -0.7697 -0.1610 -0.1610 0.8215 0.8215 1.9585 1.9585 3.3184 3.3184 3.8247 3.8247 3.9053 3.9053 4.7557 4.7557 6.6883 6.6883 7.4665 7.4665 7.4969 7.4969 10.1350 10.1350 10.4012 10.4012 10.7017 10.7017 k = 0.0114 0.0136 0.6521 ( 4846 PWs) bands (ev): -18.3130 -18.3130 -18.2769 -18.2769 -14.0424 -14.0424 -14.0347 -14.0347 -6.5698 -6.5698 -6.5481 -6.5481 -6.5371 -6.5371 -6.5369 -6.5369 -4.4599 -4.4599 -4.4512 -4.4512 -4.3917 -4.3917 -4.3624 -4.3624 -4.3164 -4.3164 -4.3039 -4.3039 -2.9115 -2.9115 -2.7016 -2.7016 -2.4871 -2.4871 -2.0908 -2.0908 -1.7210 -1.7210 -1.2572 -1.2572 -0.7694 -0.7694 -0.1631 -0.1631 0.8243 0.8243 1.9575 1.9575 3.3191 3.3191 3.8254 3.8254 3.9045 3.9045 4.7533 4.7533 6.6920 6.6920 7.4686 7.4686 7.4967 7.4967 10.1361 10.1361 10.3973 10.3973 10.7023 10.7023 k = 0.0227 0.0271 0.6521 ( 4838 PWs) bands (ev): -18.3129 -18.3129 -18.2770 -18.2770 -14.0424 -14.0424 -14.0347 -14.0347 -6.5696 -6.5696 -6.5481 -6.5481 -6.5371 -6.5371 -6.5370 -6.5370 -4.4595 -4.4595 -4.4508 -4.4508 -4.3915 -4.3915 -4.3625 -4.3625 -4.3169 -4.3169 -4.3044 -4.3044 -2.9100 -2.9100 -2.6997 -2.6997 -2.4889 -2.4889 -2.0946 -2.0946 -1.7179 -1.7179 -1.2586 -1.2586 -0.7684 -0.7684 -0.1694 -0.1694 0.8325 0.8325 1.9544 1.9544 3.3212 3.3212 3.8278 3.8278 3.9021 3.9021 4.7460 4.7460 6.7030 6.7030 7.4746 7.4746 7.4961 7.4961 10.1395 10.1395 10.3857 10.3857 10.7041 10.7041 k = 0.0341 0.0407 0.6521 ( 4832 PWs) bands (ev): -18.3126 -18.3126 -18.2773 -18.2773 -14.0424 -14.0424 -14.0347 -14.0347 -6.5693 -6.5693 -6.5480 -6.5480 -6.5372 -6.5372 -6.5371 -6.5371 -4.4587 -4.4587 -4.4501 -4.4501 -4.3913 -4.3913 -4.3628 -4.3628 -4.3178 -4.3178 -4.3052 -4.3052 -2.9076 -2.9076 -2.6965 -2.6965 -2.4918 -2.4918 -2.1007 -2.1007 -1.7129 -1.7129 -1.2610 -1.2610 -0.7667 -0.7667 -0.1796 -0.1796 0.8458 0.8458 1.9492 1.9492 3.3247 3.3247 3.8316 3.8316 3.8981 3.8981 4.7341 4.7341 6.7209 6.7209 7.4841 7.4841 7.4958 7.4958 10.1451 10.1451 10.3665 10.3665 10.7070 10.7070 k = 0.0455 0.0543 0.6521 ( 4836 PWs) bands (ev): -18.3123 -18.3123 -18.2776 -18.2776 -14.0423 -14.0423 -14.0348 -14.0348 -6.5688 -6.5688 -6.5479 -6.5479 -6.5373 -6.5373 -6.5372 -6.5372 -4.4577 -4.4577 -4.4492 -4.4492 -4.3909 -4.3909 -4.3632 -4.3632 -4.3191 -4.3191 -4.3064 -4.3064 -2.9043 -2.9043 -2.6921 -2.6921 -2.4959 -2.4959 -2.1090 -2.1090 -1.7061 -1.7061 -1.2643 -1.2643 -0.7644 -0.7644 -0.1933 -0.1933 0.8639 0.8639 1.9419 1.9419 3.3295 3.3295 3.8370 3.8370 3.8925 3.8925 4.7180 4.7180 6.7451 6.7451 7.4901 7.4901 7.5030 7.5030 10.1528 10.1528 10.3399 10.3399 10.7111 10.7111 k = 0.0568 0.0679 0.6521 ( 4826 PWs) bands (ev): -18.3119 -18.3119 -18.2780 -18.2780 -14.0422 -14.0422 -14.0349 -14.0349 -6.5683 -6.5683 -6.5478 -6.5478 -6.5374 -6.5374 -6.5373 -6.5373 -4.4563 -4.4563 -4.4479 -4.4479 -4.3904 -4.3904 -4.3637 -4.3637 -4.3207 -4.3207 -4.3078 -4.3078 -2.9000 -2.9000 -2.6865 -2.6865 -2.5011 -2.5011 -2.1193 -2.1193 -1.6978 -1.6978 -1.2686 -1.2686 -0.7614 -0.7614 -0.2100 -0.2100 0.8863 0.8863 1.9327 1.9327 3.3357 3.3357 3.8438 3.8438 3.8854 3.8854 4.6981 4.6981 6.7747 6.7747 7.4887 7.4887 7.5219 7.5219 10.1622 10.1622 10.3064 10.3064 10.7161 10.7161 k = 0.0682 0.0814 0.6521 ( 4826 PWs) bands (ev): -18.3114 -18.3114 -18.2785 -18.2785 -14.0421 -14.0421 -14.0350 -14.0350 -6.5676 -6.5676 -6.5477 -6.5477 -6.5376 -6.5376 -6.5375 -6.5375 -4.4547 -4.4547 -4.4465 -4.4465 -4.3898 -4.3898 -4.3643 -4.3643 -4.3226 -4.3226 -4.3096 -4.3096 -2.8948 -2.8948 -2.6796 -2.6796 -2.5073 -2.5073 -2.1314 -2.1314 -1.6880 -1.6880 -1.2738 -1.2738 -0.7578 -0.7578 -0.2293 -0.2293 0.9125 0.9125 1.9214 1.9214 3.3432 3.3432 3.8521 3.8521 3.8769 3.8769 4.6748 4.6748 6.8086 6.8086 7.4857 7.4857 7.5469 7.5469 10.1717 10.1717 10.2676 10.2676 10.7221 10.7221 k = 0.0795 0.0950 0.6521 ( 4844 PWs) bands (ev): -18.3109 -18.3109 -18.2791 -18.2791 -14.0420 -14.0420 -14.0351 -14.0351 -6.5668 -6.5668 -6.5475 -6.5475 -6.5378 -6.5378 -6.5377 -6.5377 -4.4528 -4.4528 -4.4448 -4.4448 -4.3891 -4.3891 -4.3650 -4.3650 -4.3249 -4.3249 -4.3116 -4.3116 -2.8887 -2.8887 -2.6716 -2.6716 -2.5147 -2.5147 -2.1452 -2.1452 -1.6771 -1.6771 -1.2799 -1.2799 -0.7534 -0.7534 -0.2506 -0.2506 0.9418 0.9418 1.9082 1.9082 3.3520 3.3520 3.8612 3.8612 3.8676 3.8676 4.6486 4.6486 6.8458 6.8458 7.4819 7.4819 7.5780 7.5780 10.1721 10.1721 10.2328 10.2328 10.7289 10.7289 k = 0.0909 0.1086 0.6521 ( 4836 PWs) bands (ev): -18.3102 -18.3102 -18.2797 -18.2797 -14.0418 -14.0418 -14.0353 -14.0353 -6.5659 -6.5659 -6.5473 -6.5473 -6.5381 -6.5381 -6.5378 -6.5378 -4.4506 -4.4506 -4.4428 -4.4428 -4.3882 -4.3882 -4.3659 -4.3659 -4.3275 -4.3275 -4.3139 -4.3139 -2.8817 -2.8817 -2.6624 -2.6624 -2.5230 -2.5230 -2.1602 -2.1602 -1.6652 -1.6652 -1.2869 -1.2869 -0.7483 -0.7483 -0.2735 -0.2735 0.9738 0.9738 1.8931 1.8931 3.3621 3.3621 3.8549 3.8549 3.8738 3.8738 4.6202 4.6202 6.8851 6.8851 7.4773 7.4773 7.6154 7.6154 10.1377 10.1377 10.2282 10.2282 10.7363 10.7363 k = 0.1023 0.1222 0.6521 ( 4836 PWs) bands (ev): -18.3095 -18.3095 -18.2805 -18.2805 -14.0417 -14.0417 -14.0354 -14.0354 -6.5650 -6.5650 -6.5471 -6.5471 -6.5384 -6.5384 -6.5380 -6.5380 -4.4482 -4.4482 -4.4407 -4.4407 -4.3873 -4.3873 -4.3668 -4.3668 -4.3303 -4.3303 -4.3165 -4.3165 -2.8738 -2.8738 -2.6520 -2.6520 -2.5323 -2.5323 -2.1764 -2.1764 -1.6525 -1.6525 -1.2947 -1.2947 -0.7425 -0.7425 -0.2974 -0.2974 1.0081 1.0081 1.8760 1.8760 3.3733 3.3733 3.8423 3.8423 3.8864 3.8864 4.5899 4.5899 6.9253 6.9253 7.4719 7.4719 7.6596 7.6596 10.0787 10.0787 10.2435 10.2435 10.7442 10.7442 k = 0.1136 0.1357 0.6521 ( 4832 PWs) bands (ev): -18.3087 -18.3087 -18.2813 -18.2813 -14.0415 -14.0415 -14.0356 -14.0356 -6.5639 -6.5639 -6.5469 -6.5469 -6.5388 -6.5388 -6.5382 -6.5382 -4.4456 -4.4456 -4.4383 -4.4383 -4.3863 -4.3863 -4.3677 -4.3677 -4.3334 -4.3334 -4.3193 -4.3193 -2.8651 -2.8651 -2.6407 -2.6407 -2.5426 -2.5426 -2.1937 -2.1937 -1.6390 -1.6390 -1.3033 -1.3033 -0.7360 -0.7360 -0.3221 -0.3221 1.0441 1.0441 1.8572 1.8572 3.3858 3.3858 3.8284 3.8284 3.9005 3.9005 4.5582 4.5582 6.9654 6.9654 7.4656 7.4656 7.7111 7.7111 10.0092 10.0092 10.2650 10.2650 10.7523 10.7523 k = 0.1250 0.1493 0.6521 ( 4834 PWs) bands (ev): -18.3078 -18.3078 -18.2822 -18.2822 -14.0413 -14.0413 -14.0358 -14.0358 -6.5628 -6.5628 -6.5467 -6.5467 -6.5392 -6.5392 -6.5385 -6.5385 -4.4427 -4.4427 -4.4358 -4.4358 -4.3851 -4.3851 -4.3688 -4.3688 -4.3367 -4.3367 -4.3223 -4.3223 -2.8556 -2.8556 -2.6283 -2.6283 -2.5536 -2.5536 -2.2118 -2.2118 -1.6250 -1.6250 -1.3127 -1.3127 -0.7287 -0.7287 -0.3471 -0.3471 1.0814 1.0814 1.8365 1.8365 3.3993 3.3993 3.8134 3.8134 3.9160 3.9160 4.5254 4.5254 7.0045 7.0045 7.4583 7.4583 7.7700 7.7700 9.9323 9.9323 10.2901 10.2901 10.7604 10.7604 k = 0.1364 0.1629 0.6521 ( 4838 PWs) bands (ev): -18.3068 -18.3068 -18.2831 -18.2831 -14.0411 -14.0411 -14.0360 -14.0360 -6.5616 -6.5616 -6.5464 -6.5464 -6.5397 -6.5397 -6.5387 -6.5387 -4.4397 -4.4397 -4.4331 -4.4331 -4.3839 -4.3839 -4.3700 -4.3700 -4.3402 -4.3402 -4.3255 -4.3255 -2.8453 -2.8453 -2.6149 -2.6149 -2.5653 -2.5653 -2.2306 -2.2306 -1.6105 -1.6105 -1.3228 -1.3228 -0.7206 -0.7206 -0.3721 -0.3721 1.1199 1.1199 1.8142 1.8142 3.4139 3.4139 3.7972 3.7972 3.9328 3.9328 4.4920 4.4920 7.0420 7.0420 7.4502 7.4502 7.8363 7.8363 9.8488 9.8488 10.3180 10.3180 10.7682 10.7682 k = 0.1477 0.1765 0.6521 ( 4846 PWs) bands (ev): -18.3058 -18.3058 -18.2841 -18.2841 -14.0409 -14.0409 -14.0362 -14.0362 -6.5604 -6.5604 -6.5462 -6.5462 -6.5402 -6.5402 -6.5390 -6.5390 -4.4365 -4.4365 -4.4304 -4.4304 -4.3825 -4.3825 -4.3712 -4.3712 -4.3438 -4.3438 -4.3288 -4.3288 -2.8343 -2.8343 -2.6009 -2.6009 -2.5775 -2.5775 -2.2501 -2.2501 -1.5956 -1.5956 -1.3336 -1.3336 -0.7117 -0.7117 -0.3971 -0.3971 1.1590 1.1590 1.7901 1.7901 3.4294 3.4294 3.7801 3.7801 3.9509 3.9509 4.4581 4.4581 7.0774 7.0774 7.4410 7.4410 7.9099 7.9099 9.7595 9.7595 10.3486 10.3486 10.7752 10.7752 k = 0.1591 0.1900 0.6521 ( 4854 PWs) bands (ev): -18.3048 -18.3048 -18.2852 -18.2852 -14.0407 -14.0407 -14.0364 -14.0364 -6.5592 -6.5592 -6.5460 -6.5460 -6.5407 -6.5407 -6.5393 -6.5393 -4.4331 -4.4331 -4.4275 -4.4275 -4.3811 -4.3811 -4.3724 -4.3724 -4.3475 -4.3475 -4.3323 -4.3323 -2.8226 -2.8226 -2.5935 -2.5935 -2.5828 -2.5828 -2.2701 -2.2701 -1.5804 -1.5804 -1.3451 -1.3451 -0.7020 -0.7020 -0.4217 -0.4217 1.1987 1.1987 1.7645 1.7645 3.4459 3.4459 3.7622 3.7622 3.9703 3.9703 4.4241 4.4241 7.1108 7.1108 7.4309 7.4309 7.9903 7.9903 9.6651 9.6651 10.3815 10.3815 10.7809 10.7809 k = 0.1705 0.2036 0.6521 ( 4858 PWs) bands (ev): -18.3037 -18.3037 -18.2863 -18.2863 -14.0404 -14.0404 -14.0367 -14.0367 -6.5579 -6.5579 -6.5459 -6.5459 -6.5412 -6.5412 -6.5396 -6.5396 -4.4297 -4.4297 -4.4247 -4.4247 -4.3796 -4.3796 -4.3736 -4.3736 -4.3513 -4.3513 -4.3358 -4.3358 -2.8102 -2.8102 -2.6058 -2.6058 -2.5682 -2.5682 -2.2905 -2.2905 -1.5649 -1.5649 -1.3573 -1.3573 -0.6914 -0.6914 -0.4457 -0.4457 1.2385 1.2385 1.7373 1.7373 3.4632 3.4632 3.7435 3.7435 3.9909 3.9909 4.3903 4.3903 7.1420 7.1420 7.4197 7.4197 8.0770 8.0770 9.5661 9.5661 10.4166 10.4166 10.7847 10.7847 k = 0.1818 0.2172 0.6521 ( 4866 PWs) bands (ev): -18.3025 -18.3025 -18.2875 -18.2875 -14.0402 -14.0402 -14.0369 -14.0369 -6.5566 -6.5566 -6.5458 -6.5458 -6.5417 -6.5417 -6.5399 -6.5399 -4.4263 -4.4263 -4.4219 -4.4219 -4.3782 -4.3782 -4.3747 -4.3747 -4.3549 -4.3549 -4.3394 -4.3394 -2.7973 -2.7973 -2.6198 -2.6198 -2.5515 -2.5515 -2.3112 -2.3112 -1.5493 -1.5493 -1.3700 -1.3700 -0.6799 -0.6799 -0.4691 -0.4691 1.2785 1.2785 1.7087 1.7087 3.4812 3.4812 3.7242 3.7242 4.0128 4.0128 4.3566 4.3566 7.1711 7.1711 7.4075 7.4075 8.1694 8.1694 9.4633 9.4633 10.4535 10.4535 10.7858 10.7858 k = 0.1932 0.2307 0.6521 ( 4862 PWs) bands (ev): -18.3013 -18.3013 -18.2887 -18.2887 -14.0399 -14.0399 -14.0372 -14.0372 -6.5553 -6.5553 -6.5459 -6.5459 -6.5421 -6.5421 -6.5402 -6.5402 -4.4230 -4.4230 -4.4193 -4.4193 -4.3773 -4.3773 -4.3752 -4.3752 -4.3583 -4.3583 -4.3430 -4.3430 -2.7838 -2.7838 -2.6344 -2.6344 -2.5338 -2.5338 -2.3322 -2.3322 -1.5336 -1.5336 -1.3832 -1.3832 -0.6676 -0.6676 -0.4918 -0.4918 1.3182 1.3182 1.6786 1.6786 3.5000 3.5000 3.7043 3.7043 4.0358 4.0358 4.3234 4.3234 7.1983 7.1983 7.3942 7.3942 8.2666 8.2666 9.3573 9.3573 10.4920 10.4920 10.7832 10.7832 k = 0.2045 0.2443 0.6521 ( 4868 PWs) bands (ev): -18.3001 -18.3001 -18.2899 -18.2899 -14.0396 -14.0396 -14.0375 -14.0375 -6.5541 -6.5541 -6.5462 -6.5462 -6.5423 -6.5423 -6.5405 -6.5405 -4.4198 -4.4198 -4.4168 -4.4168 -4.3776 -4.3776 -4.3746 -4.3746 -4.3612 -4.3612 -4.3465 -4.3465 -2.7698 -2.7698 -2.6493 -2.6493 -2.5155 -2.5155 -2.3532 -2.3532 -1.5179 -1.5179 -1.3969 -1.3969 -0.6543 -0.6543 -0.5136 -0.5136 1.3577 1.3577 1.6472 1.6472 3.5193 3.5193 3.6840 3.6840 4.0601 4.0601 4.2908 4.2908 7.2238 7.2238 7.3799 7.3799 8.3681 8.3681 9.2487 9.2487 10.5315 10.5315 10.7758 10.7758 k = 0.2159 0.2579 0.6521 ( 4868 PWs) bands (ev): -18.2989 -18.2989 -18.2912 -18.2912 -14.0394 -14.0394 -14.0377 -14.0377 -6.5528 -6.5528 -6.5468 -6.5468 -6.5424 -6.5424 -6.5408 -6.5408 -4.4169 -4.4169 -4.4147 -4.4147 -4.3782 -4.3782 -4.3742 -4.3742 -4.3629 -4.3629 -4.3500 -4.3500 -2.7554 -2.7554 -2.6645 -2.6645 -2.4965 -2.4965 -2.3743 -2.3743 -1.5021 -1.5021 -1.4110 -1.4110 -0.6401 -0.6401 -0.5346 -0.5346 1.3967 1.3967 1.6145 1.6145 3.5392 3.5392 3.6634 3.6634 4.0854 4.0854 4.2589 4.2589 7.2478 7.2478 7.3644 7.3644 8.4731 8.4731 9.1382 9.1382 10.5716 10.5716 10.7625 10.7625 k = 0.2273 0.2715 0.6521 ( 4872 PWs) bands (ev): -18.2976 -18.2976 -18.2925 -18.2925 -14.0391 -14.0391 -14.0380 -14.0380 -6.5516 -6.5516 -6.5475 -6.5475 -6.5423 -6.5423 -6.5412 -6.5412 -4.4146 -4.4146 -4.4131 -4.4131 -4.3785 -4.3785 -4.3749 -4.3749 -4.3629 -4.3629 -4.3533 -4.3533 -2.7406 -2.7406 -2.6798 -2.6798 -2.4770 -2.4770 -2.3953 -2.3953 -1.4865 -1.4865 -1.4256 -1.4256 -0.6250 -0.6250 -0.5546 -0.5546 1.4351 1.4351 1.5807 1.5807 3.5595 3.5595 3.6426 3.6426 4.1119 4.1119 4.2277 4.2277 7.2703 7.2703 7.3479 7.3479 8.5809 8.5809 9.0265 9.0265 10.6112 10.6112 10.7428 10.7428 k = 0.2386 0.2850 0.6521 ( 4864 PWs) bands (ev): -18.2963 -18.2963 -18.2937 -18.2937 -14.0388 -14.0388 -14.0383 -14.0383 -6.5505 -6.5505 -6.5484 -6.5484 -6.5420 -6.5420 -6.5415 -6.5415 -4.4129 -4.4129 -4.4122 -4.4122 -4.3783 -4.3783 -4.3762 -4.3762 -4.3614 -4.3614 -4.3563 -4.3563 -2.7256 -2.7256 -2.6951 -2.6951 -2.4571 -2.4571 -2.4161 -2.4161 -1.4709 -1.4709 -1.4404 -1.4404 -0.6088 -0.6088 -0.5736 -0.5736 1.4728 1.4728 1.5457 1.5457 3.5800 3.5800 3.6217 3.6217 4.1394 4.1394 4.1973 4.1973 7.2915 7.2915 7.3303 7.3303 8.6908 8.6908 8.9142 8.9142 10.6496 10.6496 10.7167 10.7167 k = 0.2500 0.2986 0.6521 ( 4860 PWs) bands (ev): -18.2950 -18.2950 -18.2950 -18.2950 -14.0385 -14.0385 -14.0385 -14.0385 -6.5494 -6.5494 -6.5494 -6.5494 -6.5418 -6.5418 -6.5418 -6.5418 -4.4121 -4.4121 -4.4121 -4.4121 -4.3775 -4.3775 -4.3775 -4.3775 -4.3591 -4.3591 -4.3591 -4.3591 -2.7104 -2.7104 -2.7104 -2.7104 -2.4368 -2.4368 -2.4368 -2.4368 -1.4556 -1.4556 -1.4556 -1.4556 -0.5917 -0.5917 -0.5917 -0.5917 1.5097 1.5097 1.5097 1.5097 3.6008 3.6008 3.6008 3.6008 4.1679 4.1679 4.1679 4.1679 7.3115 7.3115 7.3115 7.3115 8.8021 8.8021 8.8021 8.8021 10.6852 10.6852 10.6852 10.6852 Writing output data file TlN3.save init_run : 0.27s CPU 0.42s WALL ( 1 calls) electrons : 198.58s CPU 201.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 198.58s CPU 201.38s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 298 calls) cegterg : 180.20s CPU 182.34s WALL ( 356 calls) Called by sum_band: Called by *egterg: h_psi : 108.07s CPU 109.67s WALL ( 6338 calls) s_psi : 5.42s CPU 5.42s WALL ( 6338 calls) g_psi : 0.25s CPU 0.28s WALL ( 5684 calls) cdiaghg : 59.76s CPU 60.32s WALL ( 5982 calls) cegterg:over : 8.43s CPU 8.44s WALL ( 5684 calls) cegterg:upda : 6.68s CPU 6.95s WALL ( 5684 calls) cegterg:last : 3.68s CPU 3.73s WALL ( 952 calls) cdiaghg:chol : 3.48s CPU 3.45s WALL ( 5982 calls) cdiaghg:inve : 2.44s CPU 2.46s WALL ( 5982 calls) cdiaghg:para : 3.94s CPU 4.06s WALL ( 11964 calls) Called by h_psi: h_psi:vloc : 95.15s CPU 96.77s WALL ( 6338 calls) h_psi:vnl : 12.56s CPU 12.59s WALL ( 6338 calls) add_vuspsi : 6.09s CPU 6.11s WALL ( 6338 calls) General routines calbec : 6.46s CPU 6.46s WALL ( 6338 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.67s CPU 90.20s WALL ( 833804 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.27s WALL ( 596 calls) Parallel routines fft_scatter : 32.25s CPU 32.96s WALL ( 833827 calls) PWSCF : 3m38.10s CPU 3m57.03s WALL This run was terminated on: 20:59:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=