Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:55:41 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: ./TlInS2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 48 40 11 944 710 114 Max 49 41 12 946 724 117 Sum 1755 1463 429 34031 25763 4179 bravais-lattice index = 14 lattice parameter (alat) = 14.6076 a.u. unit-cell volume = 631.3822 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.607582 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.877983 celldm(5)= 0.877983 celldm(6)= 0.877983 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.877983 0.478692 0.000000 ) a(3) = ( 0.877983 0.223795 0.423157 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.834130 -1.104824 ) b(2) = ( 0.000000 2.089027 -1.104824 ) b(3) = ( 0.000000 0.000000 2.363190 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 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. # 3 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf 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 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) In 13.00 114.81800 In( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0102041 -0.0187156 -0.0112737), wk = 0.0031646 k( 3) = ( 0.0204082 -0.0374312 -0.0225474), wk = 0.0031646 k( 4) = ( 0.0306122 -0.0561468 -0.0338211), wk = 0.0031646 k( 5) = ( 0.0408163 -0.0748624 -0.0450949), wk = 0.0031646 k( 6) = ( 0.0510204 -0.0935781 -0.0563686), wk = 0.0031646 k( 7) = ( 0.0612245 -0.1122937 -0.0676423), wk = 0.0031646 k( 8) = ( 0.0714286 -0.1310093 -0.0789160), wk = 0.0031646 k( 9) = ( 0.0816327 -0.1497249 -0.0901897), wk = 0.0031646 k( 10) = ( 0.0918367 -0.1684405 -0.1014634), wk = 0.0031646 k( 11) = ( 0.1020408 -0.1871561 -0.1127372), wk = 0.0031646 k( 12) = ( 0.1122449 -0.2058717 -0.1240109), wk = 0.0031646 k( 13) = ( 0.1224490 -0.2245873 -0.1352846), wk = 0.0031646 k( 14) = ( 0.1326531 -0.2433029 -0.1465583), wk = 0.0031646 k( 15) = ( 0.1428571 -0.2620185 -0.1578320), wk = 0.0031646 k( 16) = ( 0.1530612 -0.2807341 -0.1691057), wk = 0.0031646 k( 17) = ( 0.1632653 -0.2994498 -0.1803794), wk = 0.0031646 k( 18) = ( 0.1734694 -0.3181654 -0.1916532), wk = 0.0031646 k( 19) = ( 0.1836735 -0.3368810 -0.2029269), wk = 0.0031646 k( 20) = ( 0.1938776 -0.3555966 -0.2142006), wk = 0.0031646 k( 21) = ( 0.2040816 -0.3743122 -0.2254743), wk = 0.0031646 k( 22) = ( 0.2142857 -0.3930278 -0.2367480), wk = 0.0031646 k( 23) = ( 0.2244898 -0.4117434 -0.2480217), wk = 0.0031646 k( 24) = ( 0.2346939 -0.4304590 -0.2592954), wk = 0.0031646 k( 25) = ( 0.2448980 -0.4491746 -0.2705692), wk = 0.0031646 k( 26) = ( 0.2551020 -0.4678902 -0.2818429), wk = 0.0031646 k( 27) = ( 0.2653061 -0.4866058 -0.2931166), wk = 0.0031646 k( 28) = ( 0.2755102 -0.5053215 -0.3043903), wk = 0.0031646 k( 29) = ( 0.2857143 -0.5240371 -0.3156640), wk = 0.0031646 k( 30) = ( 0.2959184 -0.5427527 -0.3269377), wk = 0.0031646 k( 31) = ( 0.3061224 -0.5614683 -0.3382115), wk = 0.0031646 k( 32) = ( 0.3163265 -0.5801839 -0.3494852), wk = 0.0031646 k( 33) = ( 0.3265306 -0.5988995 -0.3607589), wk = 0.0031646 k( 34) = ( 0.3367347 -0.6176151 -0.3720326), wk = 0.0031646 k( 35) = ( 0.3469388 -0.6363307 -0.3833063), wk = 0.0031646 k( 36) = ( 0.3571429 -0.6550463 -0.3945800), wk = 0.0031646 k( 37) = ( 0.3673469 -0.6737619 -0.4058537), wk = 0.0031646 k( 38) = ( 0.3775510 -0.6924776 -0.4171275), wk = 0.0031646 k( 39) = ( 0.3877551 -0.7111932 -0.4284012), wk = 0.0031646 k( 40) = ( 0.3979592 -0.7299088 -0.4396749), wk = 0.0031646 k( 41) = ( 0.4081633 -0.7486244 -0.4509486), wk = 0.0031646 k( 42) = ( 0.4183674 -0.7673400 -0.4622223), wk = 0.0031646 k( 43) = ( 0.4285714 -0.7860556 -0.4734960), wk = 0.0031646 k( 44) = ( 0.4387755 -0.8047712 -0.4847697), wk = 0.0031646 k( 45) = ( 0.4489796 -0.8234868 -0.4960435), wk = 0.0031646 k( 46) = ( 0.4591837 -0.8422024 -0.5073172), wk = 0.0031646 k( 47) = ( 0.4693878 -0.8609181 -0.5185909), wk = 0.0031646 k( 48) = ( 0.4795918 -0.8796337 -0.5298646), wk = 0.0031646 k( 49) = ( 0.4897959 -0.8983493 -0.5411383), wk = 0.0031646 k( 50) = ( 0.5000000 -0.9170649 -0.5524120), wk = 0.0031646 k( 51) = ( 0.5000000 -0.9170649 -0.5524120), wk = 0.0031646 k( 52) = ( 0.5000000 -0.9044315 -0.5733848), wk = 0.0031646 k( 53) = ( 0.5000000 -0.8917982 -0.5943576), wk = 0.0031646 k( 54) = ( 0.5000000 -0.8791648 -0.6153304), wk = 0.0031646 k( 55) = ( 0.5000000 -0.8665314 -0.6363031), wk = 0.0031646 k( 56) = ( 0.5000000 -0.8538981 -0.6572759), wk = 0.0031646 k( 57) = ( 0.5000000 -0.8412647 -0.6782487), wk = 0.0031646 k( 58) = ( 0.5000000 -0.8286314 -0.6992214), wk = 0.0031646 k( 59) = ( 0.5000000 -0.8159980 -0.7201942), wk = 0.0031646 k( 60) = ( 0.5000000 -0.8033646 -0.7411670), wk = 0.0031646 k( 61) = ( 0.5000000 -0.7907313 -0.7621397), wk = 0.0031646 k( 62) = ( 0.5000000 -0.7780979 -0.7831125), wk = 0.0031646 k( 63) = ( 0.5000000 -0.7654646 -0.8040853), wk = 0.0031646 k( 64) = ( 0.5000000 -0.7528312 -0.8250580), wk = 0.0031646 k( 65) = ( 0.5000000 -0.7401978 -0.8460308), wk = 0.0031646 k( 66) = ( 0.5000000 -0.7275645 -0.8670036), wk = 0.0031646 k( 67) = ( 0.5000000 -0.7149311 -0.8879763), wk = 0.0031646 k( 68) = ( 0.5000000 -0.7022978 -0.9089491), wk = 0.0031646 k( 69) = ( 0.5000000 -0.6896644 -0.9299219), wk = 0.0031646 k( 70) = ( 0.5000000 -0.6770310 -0.9508947), wk = 0.0031646 k( 71) = ( 0.5000000 -0.6643977 -0.9718674), wk = 0.0031646 k( 72) = ( 0.5000000 -0.6517643 -0.9928402), wk = 0.0031646 k( 73) = ( 0.5000000 -0.6391310 -1.0138130), wk = 0.0031646 k( 74) = ( 0.5000000 -0.6264976 -1.0347857), wk = 0.0031646 k( 75) = ( 0.5000000 -0.6138642 -1.0557585), wk = 0.0031646 k( 76) = ( 0.5000000 -0.6012309 -1.0767313), wk = 0.0031646 k( 77) = ( 0.5000000 -0.5885975 -1.0977041), wk = 0.0031646 k( 78) = ( 0.5000000 -0.5759642 -1.1186768), wk = 0.0031646 k( 79) = ( 0.5000000 -0.5633308 -1.1396496), wk = 0.0031646 k( 80) = ( 0.5000000 -0.5506974 -1.1606224), wk = 0.0031646 k( 81) = ( 0.5000000 -0.5380641 -1.1815951), wk = 0.0031646 k( 82) = ( 0.8185754 -0.4568602 -1.0280530), wk = 0.0031646 k( 83) = ( 0.8125646 -0.4458355 -1.0072073), wk = 0.0031646 k( 84) = ( 0.8065537 -0.4348108 -0.9863615), wk = 0.0031646 k( 85) = ( 0.8005428 -0.4237862 -0.9655158), wk = 0.0031646 k( 86) = ( 0.7945320 -0.4127615 -0.9446701), wk = 0.0031646 k( 87) = ( 0.7885211 -0.4017368 -0.9238243), wk = 0.0031646 k( 88) = ( 0.7825103 -0.3907121 -0.9029786), wk = 0.0031646 k( 89) = ( 0.7764994 -0.3796874 -0.8821329), wk = 0.0031646 k( 90) = ( 0.7704886 -0.3686627 -0.8612871), wk = 0.0031646 k( 91) = ( 0.7644777 -0.3576380 -0.8404414), wk = 0.0031646 k( 92) = ( 0.7584668 -0.3466133 -0.8195957), wk = 0.0031646 k( 93) = ( 0.7524560 -0.3355886 -0.7987499), wk = 0.0031646 k( 94) = ( 0.7464451 -0.3245639 -0.7779042), wk = 0.0031646 k( 95) = ( 0.7404343 -0.3135392 -0.7570584), wk = 0.0031646 k( 96) = ( 0.7344234 -0.3025145 -0.7362127), wk = 0.0031646 k( 97) = ( 0.7284126 -0.2914899 -0.7153670), wk = 0.0031646 k( 98) = ( 0.7224017 -0.2804652 -0.6945212), wk = 0.0031646 k( 99) = ( 0.7163908 -0.2694405 -0.6736755), wk = 0.0031646 k( 100) = ( 0.7103800 -0.2584158 -0.6528298), wk = 0.0031646 k( 101) = ( 0.7043691 -0.2473911 -0.6319840), wk = 0.0031646 k( 102) = ( 0.6983583 -0.2363664 -0.6111383), wk = 0.0031646 k( 103) = ( 0.6923474 -0.2253417 -0.5902926), wk = 0.0031646 k( 104) = ( 0.6863366 -0.2143170 -0.5694468), wk = 0.0031646 k( 105) = ( 0.6803257 -0.2032923 -0.5486011), wk = 0.0031646 k( 106) = ( 0.6743149 -0.1922676 -0.5277553), wk = 0.0031646 k( 107) = ( 0.6683040 -0.1812430 -0.5069096), wk = 0.0031646 k( 108) = ( 0.6622931 -0.1702183 -0.4860639), wk = 0.0031646 k( 109) = ( 0.6562823 -0.1591936 -0.4652181), wk = 0.0031646 k( 110) = ( 0.6502714 -0.1481689 -0.4443724), wk = 0.0031646 k( 111) = ( 0.6442606 -0.1371442 -0.4235266), wk = 0.0031646 k( 112) = ( 0.6382497 -0.1261195 -0.4026809), wk = 0.0031646 k( 113) = ( 0.6322389 -0.1150948 -0.3818352), wk = 0.0031646 k( 114) = ( 0.6262280 -0.1040701 -0.3609894), wk = 0.0031646 k( 115) = ( 0.6202171 -0.0930454 -0.3401437), wk = 0.0031646 k( 116) = ( 0.6142063 -0.0820207 -0.3192980), wk = 0.0031646 k( 117) = ( 0.6081954 -0.0709960 -0.2984522), wk = 0.0031646 k( 118) = ( 0.6021846 -0.0599713 -0.2776065), wk = 0.0031646 k( 119) = ( 0.5961737 -0.0489467 -0.2567608), wk = 0.0031646 k( 120) = ( 0.5901629 -0.0379220 -0.2359150), wk = 0.0031646 k( 121) = ( 0.5841520 -0.0268973 -0.2150693), wk = 0.0031646 k( 122) = ( 0.5781411 -0.0158726 -0.1942235), wk = 0.0031646 k( 123) = ( 0.5721303 -0.0048479 -0.1733778), wk = 0.0031646 k( 124) = ( 0.5661194 0.0061768 -0.1525320), wk = 0.0031646 k( 125) = ( 0.5601086 0.0172015 -0.1316863), wk = 0.0031646 k( 126) = ( 0.5540977 0.0282262 -0.1108406), wk = 0.0031646 k( 127) = ( 0.5480869 0.0392509 -0.0899948), wk = 0.0031646 k( 128) = ( 0.5420760 0.0502756 -0.0691491), wk = 0.0031646 k( 129) = ( 0.5360651 0.0613003 -0.0483034), wk = 0.0031646 k( 130) = ( 0.5300543 0.0723250 -0.0274576), wk = 0.0031646 k( 131) = ( 0.5240434 0.0833496 -0.0066119), wk = 0.0031646 k( 132) = ( 0.5180326 0.0943743 0.0142338), wk = 0.0031646 k( 133) = ( 0.5120217 0.1053990 0.0350796), wk = 0.0031646 k( 134) = ( 0.5060109 0.1164237 0.0559253), wk = 0.0031646 k( 135) = ( 0.5000000 0.1274484 0.0767710), wk = 0.0031646 k( 136) = ( 0.5000000 0.1274484 0.0767710), wk = 0.0031646 k( 137) = ( 0.4772727 0.1216553 0.0732815), wk = 0.0031646 k( 138) = ( 0.4545455 0.1158622 0.0697919), wk = 0.0031646 k( 139) = ( 0.4318182 0.1100691 0.0663023), wk = 0.0031646 k( 140) = ( 0.4090909 0.1042760 0.0628127), wk = 0.0031646 k( 141) = ( 0.3863636 0.0984829 0.0593231), wk = 0.0031646 k( 142) = ( 0.3636364 0.0926897 0.0558335), wk = 0.0031646 k( 143) = ( 0.3409091 0.0868966 0.0523439), wk = 0.0031646 k( 144) = ( 0.3181818 0.0811035 0.0488543), wk = 0.0031646 k( 145) = ( 0.2954545 0.0753104 0.0453647), wk = 0.0031646 k( 146) = ( 0.2727273 0.0695173 0.0418751), wk = 0.0031646 k( 147) = ( 0.2500000 0.0637242 0.0383855), wk = 0.0031646 k( 148) = ( 0.2272727 0.0579311 0.0348959), wk = 0.0031646 k( 149) = ( 0.2045454 0.0521380 0.0314063), wk = 0.0031646 k( 150) = ( 0.1818182 0.0463449 0.0279167), wk = 0.0031646 k( 151) = ( 0.1590909 0.0405518 0.0244272), wk = 0.0031646 k( 152) = ( 0.1363636 0.0347587 0.0209376), wk = 0.0031646 k( 153) = ( 0.1136364 0.0289655 0.0174480), wk = 0.0031646 k( 154) = ( 0.0909091 0.0231724 0.0139584), wk = 0.0031646 k( 155) = ( 0.0681818 0.0173793 0.0104688), wk = 0.0031646 k( 156) = ( 0.0454546 0.0115862 0.0069792), wk = 0.0031646 k( 157) = ( 0.0227273 0.0057931 0.0034896), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 160) = ( 0.0059774 -0.0109633 -0.0207297), wk = 0.0031646 k( 161) = ( 0.0119548 -0.0219267 -0.0414595), wk = 0.0031646 k( 162) = ( 0.0179322 -0.0328900 -0.0621892), wk = 0.0031646 k( 163) = ( 0.0239096 -0.0438534 -0.0829189), wk = 0.0031646 k( 164) = ( 0.0298870 -0.0548167 -0.1036487), wk = 0.0031646 k( 165) = ( 0.0358644 -0.0657801 -0.1243784), wk = 0.0031646 k( 166) = ( 0.0418419 -0.0767434 -0.1451082), wk = 0.0031646 k( 167) = ( 0.0478193 -0.0877067 -0.1658379), wk = 0.0031646 k( 168) = ( 0.0537967 -0.0986701 -0.1865677), wk = 0.0031646 k( 169) = ( 0.0597741 -0.1096334 -0.2072974), wk = 0.0031646 k( 170) = ( 0.0657515 -0.1205968 -0.2280271), wk = 0.0031646 k( 171) = ( 0.0717289 -0.1315601 -0.2487569), wk = 0.0031646 k( 172) = ( 0.0777063 -0.1425235 -0.2694866), wk = 0.0031646 k( 173) = ( 0.0836837 -0.1534868 -0.2902163), wk = 0.0031646 k( 174) = ( 0.0896611 -0.1644501 -0.3109461), wk = 0.0031646 k( 175) = ( 0.0956385 -0.1754135 -0.3316758), wk = 0.0031646 k( 176) = ( 0.1016159 -0.1863768 -0.3524056), wk = 0.0031646 k( 177) = ( 0.1075934 -0.1973402 -0.3731353), wk = 0.0031646 k( 178) = ( 0.1135708 -0.2083035 -0.3938651), wk = 0.0031646 k( 179) = ( 0.1195482 -0.2192669 -0.4145948), wk = 0.0031646 k( 180) = ( 0.1255256 -0.2302302 -0.4353245), wk = 0.0031646 k( 181) = ( 0.1315030 -0.2411935 -0.4560543), wk = 0.0031646 k( 182) = ( 0.1374804 -0.2521569 -0.4767840), wk = 0.0031646 k( 183) = ( 0.1434578 -0.2631202 -0.4975137), wk = 0.0031646 k( 184) = ( 0.1494352 -0.2740836 -0.5182435), wk = 0.0031646 k( 185) = ( 0.1554126 -0.2850469 -0.5389732), wk = 0.0031646 k( 186) = ( 0.1613900 -0.2960103 -0.5597030), wk = 0.0031646 k( 187) = ( 0.1673674 -0.3069736 -0.5804327), wk = 0.0031646 k( 188) = ( 0.1733448 -0.3179369 -0.6011624), wk = 0.0031646 k( 189) = ( 0.1793223 -0.3289003 -0.6218922), wk = 0.0031646 k( 190) = ( 0.1852997 -0.3398636 -0.6426219), wk = 0.0031646 k( 191) = ( 0.1912771 -0.3508270 -0.6633517), wk = 0.0031646 k( 192) = ( 0.1972545 -0.3617903 -0.6840814), wk = 0.0031646 k( 193) = ( 0.2032319 -0.3727537 -0.7048111), wk = 0.0031646 k( 194) = ( 0.2092093 -0.3837170 -0.7255409), wk = 0.0031646 k( 195) = ( 0.2151867 -0.3946803 -0.7462706), wk = 0.0031646 k( 196) = ( 0.2211641 -0.4056437 -0.7670003), wk = 0.0031646 k( 197) = ( 0.2271415 -0.4166070 -0.7877301), wk = 0.0031646 k( 198) = ( 0.2331189 -0.4275704 -0.8084598), wk = 0.0031646 k( 199) = ( 0.2390964 -0.4385337 -0.8291896), wk = 0.0031646 k( 200) = ( 0.2450738 -0.4494971 -0.8499193), wk = 0.0031646 k( 201) = ( 0.2510512 -0.4604604 -0.8706491), wk = 0.0031646 k( 202) = ( 0.2570286 -0.4714237 -0.8913788), wk = 0.0031646 k( 203) = ( 0.2630060 -0.4823871 -0.9121085), wk = 0.0031646 k( 204) = ( 0.2689834 -0.4933504 -0.9328383), wk = 0.0031646 k( 205) = ( 0.2749608 -0.5043138 -0.9535680), wk = 0.0031646 k( 206) = ( 0.2809382 -0.5152771 -0.9742977), wk = 0.0031646 k( 207) = ( 0.2869156 -0.5262405 -0.9950275), wk = 0.0031646 k( 208) = ( 0.2928930 -0.5372038 -1.0157572), wk = 0.0031646 k( 209) = ( 0.2988704 -0.5481672 -1.0364870), wk = 0.0031646 k( 210) = ( 0.3048478 -0.5591305 -1.0572167), wk = 0.0031646 k( 211) = ( 0.3108252 -0.5700938 -1.0779464), wk = 0.0031646 k( 212) = ( 0.3168027 -0.5810572 -1.0986762), wk = 0.0031646 k( 213) = ( 0.3227801 -0.5920205 -1.1194059), wk = 0.0031646 k( 214) = ( 0.3287575 -0.6029839 -1.1401357), wk = 0.0031646 k( 215) = ( 0.3347349 -0.6139472 -1.1608654), wk = 0.0031646 k( 216) = ( 0.3407123 -0.6249106 -1.1815951), wk = 0.0031646 k( 217) = ( 0.6592877 -0.4974621 -1.1048241), wk = 0.0031646 k( 218) = ( 0.6533882 -0.4743173 -1.1048241), wk = 0.0031646 k( 219) = ( 0.6474886 -0.4511725 -1.1048241), wk = 0.0031646 k( 220) = ( 0.6415891 -0.4280276 -1.1048241), wk = 0.0031646 k( 221) = ( 0.6356895 -0.4048828 -1.1048241), wk = 0.0031646 k( 222) = ( 0.6297900 -0.3817380 -1.1048241), wk = 0.0031646 k( 223) = ( 0.6238904 -0.3585932 -1.1048241), wk = 0.0031646 k( 224) = ( 0.6179909 -0.3354483 -1.1048241), wk = 0.0031646 k( 225) = ( 0.6120914 -0.3123035 -1.1048241), wk = 0.0031646 k( 226) = ( 0.6061918 -0.2891586 -1.1048241), wk = 0.0031646 k( 227) = ( 0.6002923 -0.2660138 -1.1048241), wk = 0.0031646 k( 228) = ( 0.5943927 -0.2428690 -1.1048241), wk = 0.0031646 k( 229) = ( 0.5884932 -0.2197241 -1.1048241), wk = 0.0031646 k( 230) = ( 0.5825936 -0.1965793 -1.1048241), wk = 0.0031646 k( 231) = ( 0.5766941 -0.1734345 -1.1048241), wk = 0.0031646 k( 232) = ( 0.5707945 -0.1502896 -1.1048241), wk = 0.0031646 k( 233) = ( 0.5648950 -0.1271448 -1.1048241), wk = 0.0031646 k( 234) = ( 0.5589954 -0.1040000 -1.1048241), wk = 0.0031646 k( 235) = ( 0.5530959 -0.0808551 -1.1048241), wk = 0.0031646 k( 236) = ( 0.5471964 -0.0577103 -1.1048241), wk = 0.0031646 k( 237) = ( 0.5412968 -0.0345654 -1.1048241), wk = 0.0031646 k( 238) = ( 0.5353973 -0.0114206 -1.1048241), wk = 0.0031646 k( 239) = ( 0.5294977 0.0117242 -1.1048241), wk = 0.0031646 k( 240) = ( 0.5235982 0.0348691 -1.1048241), wk = 0.0031646 k( 241) = ( 0.5176986 0.0580139 -1.1048241), wk = 0.0031646 k( 242) = ( 0.5117991 0.0811587 -1.1048241), wk = 0.0031646 k( 243) = ( 0.5058995 0.1043036 -1.1048241), wk = 0.0031646 k( 244) = ( 0.5000000 0.1274484 -1.1048241), wk = 0.0031646 k( 245) = ( 0.5000000 0.1274484 -1.1048241), wk = 0.0031646 k( 246) = ( 0.5199110 0.1325236 -1.0952277), wk = 0.0031646 k( 247) = ( 0.5398219 0.1375989 -1.0856313), wk = 0.0031646 k( 248) = ( 0.5597329 0.1426741 -1.0760349), wk = 0.0031646 k( 249) = ( 0.5796438 0.1477494 -1.0664385), wk = 0.0031646 k( 250) = ( 0.5995548 0.1528246 -1.0568422), wk = 0.0031646 k( 251) = ( 0.6194658 0.1578998 -1.0472458), wk = 0.0031646 k( 252) = ( 0.6393767 0.1629751 -1.0376494), wk = 0.0031646 k( 253) = ( 0.6592877 0.1680503 -1.0280530), wk = 0.0031646 k( 254) = ( 0.6592877 0.1680503 -1.0280530), wk = 0.0031646 k( 255) = ( 0.6558249 0.1671677 -1.0040351), wk = 0.0031646 k( 256) = ( 0.6523621 0.1662850 -0.9800172), wk = 0.0031646 k( 257) = ( 0.6488994 0.1654024 -0.9559993), wk = 0.0031646 k( 258) = ( 0.6454366 0.1645197 -0.9319814), wk = 0.0031646 k( 259) = ( 0.6419738 0.1636371 -0.9079635), wk = 0.0031646 k( 260) = ( 0.6385110 0.1627544 -0.8839455), wk = 0.0031646 k( 261) = ( 0.6350483 0.1618718 -0.8599276), wk = 0.0031646 k( 262) = ( 0.6315855 0.1609891 -0.8359097), wk = 0.0031646 k( 263) = ( 0.6281227 0.1601065 -0.8118918), wk = 0.0031646 k( 264) = ( 0.6246599 0.1592238 -0.7878739), wk = 0.0031646 k( 265) = ( 0.6211972 0.1583412 -0.7638560), wk = 0.0031646 k( 266) = ( 0.6177344 0.1574585 -0.7398381), wk = 0.0031646 k( 267) = ( 0.6142716 0.1565759 -0.7158201), wk = 0.0031646 k( 268) = ( 0.6108088 0.1556932 -0.6918022), wk = 0.0031646 k( 269) = ( 0.6073461 0.1548106 -0.6677843), wk = 0.0031646 k( 270) = ( 0.6038833 0.1539279 -0.6437664), wk = 0.0031646 k( 271) = ( 0.6004205 0.1530453 -0.6197485), wk = 0.0031646 k( 272) = ( 0.5969577 0.1521626 -0.5957306), wk = 0.0031646 k( 273) = ( 0.5934950 0.1512800 -0.5717127), wk = 0.0031646 k( 274) = ( 0.5900322 0.1503973 -0.5476947), wk = 0.0031646 k( 275) = ( 0.5865694 0.1495147 -0.5236768), wk = 0.0031646 k( 276) = ( 0.5831066 0.1486320 -0.4996589), wk = 0.0031646 k( 277) = ( 0.5796438 0.1477494 -0.4756410), wk = 0.0031646 k( 278) = ( 0.5761811 0.1468667 -0.4516231), wk = 0.0031646 k( 279) = ( 0.5727183 0.1459841 -0.4276052), wk = 0.0031646 k( 280) = ( 0.5692555 0.1451014 -0.4035872), wk = 0.0031646 k( 281) = ( 0.5657927 0.1442188 -0.3795693), wk = 0.0031646 k( 282) = ( 0.5623300 0.1433361 -0.3555514), wk = 0.0031646 k( 283) = ( 0.5588672 0.1424535 -0.3315335), wk = 0.0031646 k( 284) = ( 0.5554044 0.1415708 -0.3075156), wk = 0.0031646 k( 285) = ( 0.5519416 0.1406882 -0.2834977), wk = 0.0031646 k( 286) = ( 0.5484789 0.1398055 -0.2594798), wk = 0.0031646 k( 287) = ( 0.5450161 0.1389229 -0.2354618), wk = 0.0031646 k( 288) = ( 0.5415533 0.1380402 -0.2114439), wk = 0.0031646 k( 289) = ( 0.5380905 0.1371576 -0.1874260), wk = 0.0031646 k( 290) = ( 0.5346278 0.1362749 -0.1634081), wk = 0.0031646 k( 291) = ( 0.5311650 0.1353923 -0.1393902), wk = 0.0031646 k( 292) = ( 0.5277022 0.1345096 -0.1153723), wk = 0.0031646 k( 293) = ( 0.5242394 0.1336270 -0.0913544), wk = 0.0031646 k( 294) = ( 0.5207767 0.1327443 -0.0673364), wk = 0.0031646 k( 295) = ( 0.5173139 0.1318617 -0.0433185), wk = 0.0031646 k( 296) = ( 0.5138511 0.1309790 -0.0193006), wk = 0.0031646 k( 297) = ( 0.5103883 0.1300964 0.0047173), wk = 0.0031646 k( 298) = ( 0.5069255 0.1292137 0.0287352), wk = 0.0031646 k( 299) = ( 0.5034628 0.1283311 0.0527531), wk = 0.0031646 k( 300) = ( 0.5000000 0.1274484 0.0767710), wk = 0.0031646 k( 301) = ( 0.5000000 -0.9170649 -0.5524120), wk = 0.0031646 k( 302) = ( 0.5212384 -0.9085683 -0.5472940), wk = 0.0031646 k( 303) = ( 0.5424767 -0.9000717 -0.5421759), wk = 0.0031646 k( 304) = ( 0.5637151 -0.8915752 -0.5370578), wk = 0.0031646 k( 305) = ( 0.5849534 -0.8830786 -0.5319398), wk = 0.0031646 k( 306) = ( 0.6061918 -0.8745821 -0.5268217), wk = 0.0031646 k( 307) = ( 0.6274302 -0.8660855 -0.5217036), wk = 0.0031646 k( 308) = ( 0.6486685 -0.8575889 -0.5165855), wk = 0.0031646 k( 309) = ( 0.6699069 -0.8490924 -0.5114675), wk = 0.0031646 k( 310) = ( 0.6911452 -0.8405958 -0.5063494), wk = 0.0031646 k( 311) = ( 0.7123836 -0.8320993 -0.5012313), wk = 0.0031646 k( 312) = ( 0.7336220 -0.8236027 -0.4961133), wk = 0.0031646 k( 313) = ( 0.7548603 -0.8151062 -0.4909952), wk = 0.0031646 k( 314) = ( 0.7760987 -0.8066096 -0.4858771), wk = 0.0031646 k( 315) = ( 0.7973370 -0.7981130 -0.4807591), wk = 0.0031646 k( 316) = ( 0.8185754 -0.7896165 -0.4756410), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0306122 -0.0000000 0.0000000), wk = 0.0031646 k( 5) = ( 0.0408163 -0.0000000 0.0000000), wk = 0.0031646 k( 6) = ( 0.0510204 -0.0000000 0.0000000), wk = 0.0031646 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0031646 k( 8) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0031646 k( 9) = ( 0.0816327 -0.0000000 0.0000000), wk = 0.0031646 k( 10) = ( 0.0918367 -0.0000000 0.0000000), wk = 0.0031646 k( 11) = ( 0.1020408 -0.0000000 0.0000000), wk = 0.0031646 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0031646 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0031646 k( 14) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0031646 k( 15) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0031646 k( 16) = ( 0.1530612 -0.0000000 0.0000000), wk = 0.0031646 k( 17) = ( 0.1632653 -0.0000000 0.0000000), wk = 0.0031646 k( 18) = ( 0.1734694 -0.0000000 0.0000000), wk = 0.0031646 k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0031646 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0031646 k( 21) = ( 0.2040816 -0.0000000 0.0000000), wk = 0.0031646 k( 22) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0031646 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0031646 k( 24) = ( 0.2346939 -0.0000000 0.0000000), wk = 0.0031646 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0031646 k( 26) = ( 0.2551020 -0.0000000 0.0000000), wk = 0.0031646 k( 27) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0031646 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0031646 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0031646 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0031646 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0031646 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0031646 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0031646 k( 34) = ( 0.3367347 -0.0000000 -0.0000000), wk = 0.0031646 k( 35) = ( 0.3469388 -0.0000000 0.0000000), wk = 0.0031646 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0031646 k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0031646 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0031646 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0031646 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0031646 k( 41) = ( 0.4081633 -0.0000000 0.0000000), wk = 0.0031646 k( 42) = ( 0.4183674 -0.0000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.4387755 -0.0000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.4489796 -0.0000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.4591837 -0.0000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.4693878 -0.0000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.4795918 -0.0000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.5000000 0.0060475 -0.0060475), wk = 0.0031646 k( 53) = ( 0.5000000 0.0120950 -0.0120950), wk = 0.0031646 k( 54) = ( 0.5000000 0.0181425 -0.0181425), wk = 0.0031646 k( 55) = ( 0.5000000 0.0241900 -0.0241899), wk = 0.0031646 k( 56) = ( 0.5000000 0.0302374 -0.0302374), wk = 0.0031646 k( 57) = ( 0.5000000 0.0362849 -0.0362849), wk = 0.0031646 k( 58) = ( 0.5000000 0.0423324 -0.0423324), wk = 0.0031646 k( 59) = ( 0.5000000 0.0483799 -0.0483799), wk = 0.0031646 k( 60) = ( 0.5000000 0.0544274 -0.0544274), wk = 0.0031646 k( 61) = ( 0.5000000 0.0604749 -0.0604749), wk = 0.0031646 k( 62) = ( 0.5000000 0.0665223 -0.0665224), wk = 0.0031646 k( 63) = ( 0.5000000 0.0725698 -0.0725698), wk = 0.0031646 k( 64) = ( 0.5000000 0.0786173 -0.0786173), wk = 0.0031646 k( 65) = ( 0.5000000 0.0846648 -0.0846648), wk = 0.0031646 k( 66) = ( 0.5000000 0.0907123 -0.0907123), wk = 0.0031646 k( 67) = ( 0.5000000 0.0967598 -0.0967598), wk = 0.0031646 k( 68) = ( 0.5000000 0.1028073 -0.1028073), wk = 0.0031646 k( 69) = ( 0.5000000 0.1088548 -0.1088548), wk = 0.0031646 k( 70) = ( 0.5000000 0.1149022 -0.1149022), wk = 0.0031646 k( 71) = ( 0.5000000 0.1209497 -0.1209497), wk = 0.0031646 k( 72) = ( 0.5000000 0.1269972 -0.1269972), wk = 0.0031646 k( 73) = ( 0.5000000 0.1330447 -0.1330447), wk = 0.0031646 k( 74) = ( 0.5000000 0.1390922 -0.1390922), wk = 0.0031646 k( 75) = ( 0.5000000 0.1451397 -0.1451397), wk = 0.0031646 k( 76) = ( 0.5000000 0.1511872 -0.1511872), wk = 0.0031646 k( 77) = ( 0.5000000 0.1572346 -0.1572346), wk = 0.0031646 k( 78) = ( 0.5000000 0.1632821 -0.1632821), wk = 0.0031646 k( 79) = ( 0.5000000 0.1693296 -0.1693296), wk = 0.0031646 k( 80) = ( 0.5000000 0.1753771 -0.1753771), wk = 0.0031646 k( 81) = ( 0.5000000 0.1814246 -0.1814246), wk = 0.0031646 k( 82) = ( 0.8185754 0.5000000 0.1814246), wk = 0.0031646 k( 83) = ( 0.8125646 0.5000000 0.1874355), wk = 0.0031646 k( 84) = ( 0.8065537 0.5000000 0.1934463), wk = 0.0031646 k( 85) = ( 0.8005428 0.5000000 0.1994572), wk = 0.0031646 k( 86) = ( 0.7945320 0.5000000 0.2054680), wk = 0.0031646 k( 87) = ( 0.7885211 0.5000000 0.2114789), wk = 0.0031646 k( 88) = ( 0.7825103 0.5000000 0.2174897), wk = 0.0031646 k( 89) = ( 0.7764994 0.5000000 0.2235006), wk = 0.0031646 k( 90) = ( 0.7704886 0.5000000 0.2295115), wk = 0.0031646 k( 91) = ( 0.7644777 0.5000000 0.2355223), wk = 0.0031646 k( 92) = ( 0.7584668 0.5000000 0.2415332), wk = 0.0031646 k( 93) = ( 0.7524560 0.5000000 0.2475440), wk = 0.0031646 k( 94) = ( 0.7464451 0.5000000 0.2535549), wk = 0.0031646 k( 95) = ( 0.7404343 0.5000000 0.2595657), wk = 0.0031646 k( 96) = ( 0.7344234 0.5000000 0.2655766), wk = 0.0031646 k( 97) = ( 0.7284126 0.5000000 0.2715874), wk = 0.0031646 k( 98) = ( 0.7224017 0.5000000 0.2775983), wk = 0.0031646 k( 99) = ( 0.7163908 0.5000000 0.2836092), wk = 0.0031646 k( 100) = ( 0.7103800 0.5000000 0.2896200), wk = 0.0031646 k( 101) = ( 0.7043691 0.5000000 0.2956309), wk = 0.0031646 k( 102) = ( 0.6983583 0.5000000 0.3016417), wk = 0.0031646 k( 103) = ( 0.6923474 0.5000000 0.3076526), wk = 0.0031646 k( 104) = ( 0.6863366 0.5000000 0.3136634), wk = 0.0031646 k( 105) = ( 0.6803257 0.5000000 0.3196743), wk = 0.0031646 k( 106) = ( 0.6743149 0.5000000 0.3256851), wk = 0.0031646 k( 107) = ( 0.6683040 0.5000000 0.3316960), wk = 0.0031646 k( 108) = ( 0.6622931 0.5000000 0.3377069), wk = 0.0031646 k( 109) = ( 0.6562823 0.5000000 0.3437177), wk = 0.0031646 k( 110) = ( 0.6502714 0.5000000 0.3497286), wk = 0.0031646 k( 111) = ( 0.6442606 0.5000000 0.3557394), wk = 0.0031646 k( 112) = ( 0.6382497 0.5000000 0.3617503), wk = 0.0031646 k( 113) = ( 0.6322389 0.5000000 0.3677612), wk = 0.0031646 k( 114) = ( 0.6262280 0.5000000 0.3737720), wk = 0.0031646 k( 115) = ( 0.6202171 0.5000000 0.3797829), wk = 0.0031646 k( 116) = ( 0.6142063 0.5000000 0.3857937), wk = 0.0031646 k( 117) = ( 0.6081954 0.5000000 0.3918046), wk = 0.0031646 k( 118) = ( 0.6021846 0.5000000 0.3978154), wk = 0.0031646 k( 119) = ( 0.5961737 0.5000000 0.4038263), wk = 0.0031646 k( 120) = ( 0.5901629 0.5000000 0.4098371), wk = 0.0031646 k( 121) = ( 0.5841520 0.5000000 0.4158480), wk = 0.0031646 k( 122) = ( 0.5781411 0.5000000 0.4218589), wk = 0.0031646 k( 123) = ( 0.5721303 0.5000000 0.4278697), wk = 0.0031646 k( 124) = ( 0.5661194 0.5000000 0.4338806), wk = 0.0031646 k( 125) = ( 0.5601086 0.5000000 0.4398914), wk = 0.0031646 k( 126) = ( 0.5540977 0.5000000 0.4459023), wk = 0.0031646 k( 127) = ( 0.5480869 0.5000000 0.4519131), wk = 0.0031646 k( 128) = ( 0.5420760 0.5000000 0.4579240), wk = 0.0031646 k( 129) = ( 0.5360651 0.5000000 0.4639349), wk = 0.0031646 k( 130) = ( 0.5300543 0.5000000 0.4699457), wk = 0.0031646 k( 131) = ( 0.5240434 0.5000000 0.4759566), wk = 0.0031646 k( 132) = ( 0.5180326 0.5000000 0.4819674), wk = 0.0031646 k( 133) = ( 0.5120217 0.5000000 0.4879783), wk = 0.0031646 k( 134) = ( 0.5060109 0.5000000 0.4939891), wk = 0.0031646 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 137) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0031646 k( 138) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0031646 k( 139) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0031646 k( 140) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0031646 k( 141) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0031646 k( 142) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0031646 k( 143) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0031646 k( 144) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0031646 k( 145) = ( 0.2954545 0.2954545 0.2954546), wk = 0.0031646 k( 146) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0031646 k( 147) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031646 k( 148) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0031646 k( 149) = ( 0.2045454 0.2045454 0.2045455), wk = 0.0031646 k( 150) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0031646 k( 151) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0031646 k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0031646 k( 153) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0031646 k( 154) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0031646 k( 155) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0031646 k( 156) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0031646 k( 157) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 160) = ( 0.0059774 -0.0000000 -0.0059774), wk = 0.0031646 k( 161) = ( 0.0119548 -0.0000000 -0.0119548), wk = 0.0031646 k( 162) = ( 0.0179322 -0.0000000 -0.0179322), wk = 0.0031646 k( 163) = ( 0.0239096 -0.0000000 -0.0239096), wk = 0.0031646 k( 164) = ( 0.0298870 -0.0000000 -0.0298870), wk = 0.0031646 k( 165) = ( 0.0358644 -0.0000000 -0.0358644), wk = 0.0031646 k( 166) = ( 0.0418419 -0.0000000 -0.0418419), wk = 0.0031646 k( 167) = ( 0.0478193 0.0000000 -0.0478193), wk = 0.0031646 k( 168) = ( 0.0537967 0.0000000 -0.0537967), wk = 0.0031646 k( 169) = ( 0.0597741 -0.0000000 -0.0597741), wk = 0.0031646 k( 170) = ( 0.0657515 0.0000000 -0.0657515), wk = 0.0031646 k( 171) = ( 0.0717289 -0.0000000 -0.0717289), wk = 0.0031646 k( 172) = ( 0.0777063 0.0000000 -0.0777063), wk = 0.0031646 k( 173) = ( 0.0836837 -0.0000000 -0.0836837), wk = 0.0031646 k( 174) = ( 0.0896611 -0.0000000 -0.0896611), wk = 0.0031646 k( 175) = ( 0.0956385 0.0000000 -0.0956385), wk = 0.0031646 k( 176) = ( 0.1016159 -0.0000000 -0.1016159), wk = 0.0031646 k( 177) = ( 0.1075934 0.0000000 -0.1075934), wk = 0.0031646 k( 178) = ( 0.1135708 -0.0000000 -0.1135708), wk = 0.0031646 k( 179) = ( 0.1195482 0.0000000 -0.1195482), wk = 0.0031646 k( 180) = ( 0.1255256 -0.0000000 -0.1255256), wk = 0.0031646 k( 181) = ( 0.1315030 -0.0000000 -0.1315030), wk = 0.0031646 k( 182) = ( 0.1374804 -0.0000000 -0.1374804), wk = 0.0031646 k( 183) = ( 0.1434578 0.0000000 -0.1434578), wk = 0.0031646 k( 184) = ( 0.1494352 0.0000000 -0.1494352), wk = 0.0031646 k( 185) = ( 0.1554126 0.0000000 -0.1554126), wk = 0.0031646 k( 186) = ( 0.1613900 0.0000000 -0.1613900), wk = 0.0031646 k( 187) = ( 0.1673674 -0.0000000 -0.1673674), wk = 0.0031646 k( 188) = ( 0.1733448 -0.0000000 -0.1733448), wk = 0.0031646 k( 189) = ( 0.1793223 -0.0000000 -0.1793223), wk = 0.0031646 k( 190) = ( 0.1852997 -0.0000000 -0.1852997), wk = 0.0031646 k( 191) = ( 0.1912771 0.0000000 -0.1912771), wk = 0.0031646 k( 192) = ( 0.1972545 -0.0000000 -0.1972545), wk = 0.0031646 k( 193) = ( 0.2032319 -0.0000000 -0.2032319), wk = 0.0031646 k( 194) = ( 0.2092093 -0.0000000 -0.2092093), wk = 0.0031646 k( 195) = ( 0.2151867 -0.0000000 -0.2151867), wk = 0.0031646 k( 196) = ( 0.2211641 0.0000000 -0.2211641), wk = 0.0031646 k( 197) = ( 0.2271415 0.0000000 -0.2271415), wk = 0.0031646 k( 198) = ( 0.2331189 0.0000000 -0.2331189), wk = 0.0031646 k( 199) = ( 0.2390964 -0.0000000 -0.2390964), wk = 0.0031646 k( 200) = ( 0.2450738 -0.0000000 -0.2450738), wk = 0.0031646 k( 201) = ( 0.2510512 -0.0000000 -0.2510512), wk = 0.0031646 k( 202) = ( 0.2570286 -0.0000000 -0.2570286), wk = 0.0031646 k( 203) = ( 0.2630060 -0.0000000 -0.2630060), wk = 0.0031646 k( 204) = ( 0.2689834 -0.0000000 -0.2689834), wk = 0.0031646 k( 205) = ( 0.2749608 -0.0000000 -0.2749608), wk = 0.0031646 k( 206) = ( 0.2809382 -0.0000000 -0.2809382), wk = 0.0031646 k( 207) = ( 0.2869156 0.0000000 -0.2869156), wk = 0.0031646 k( 208) = ( 0.2928930 -0.0000000 -0.2928930), wk = 0.0031646 k( 209) = ( 0.2988704 0.0000000 -0.2988704), wk = 0.0031646 k( 210) = ( 0.3048478 -0.0000000 -0.3048478), wk = 0.0031646 k( 211) = ( 0.3108252 0.0000000 -0.3108252), wk = 0.0031646 k( 212) = ( 0.3168027 0.0000000 -0.3168027), wk = 0.0031646 k( 213) = ( 0.3227801 -0.0000000 -0.3227801), wk = 0.0031646 k( 214) = ( 0.3287575 0.0000000 -0.3287575), wk = 0.0031646 k( 215) = ( 0.3347349 -0.0000000 -0.3347349), wk = 0.0031646 k( 216) = ( 0.3407123 -0.0000000 -0.3407123), wk = 0.0031646 k( 217) = ( 0.6592877 0.3407123 0.0000000), wk = 0.0031646 k( 218) = ( 0.6533882 0.3466118 0.0000000), wk = 0.0031646 k( 219) = ( 0.6474886 0.3525114 0.0000000), wk = 0.0031646 k( 220) = ( 0.6415891 0.3584109 0.0000000), wk = 0.0031646 k( 221) = ( 0.6356895 0.3643105 0.0000000), wk = 0.0031646 k( 222) = ( 0.6297900 0.3702100 0.0000000), wk = 0.0031646 k( 223) = ( 0.6238904 0.3761096 0.0000000), wk = 0.0031646 k( 224) = ( 0.6179909 0.3820091 0.0000000), wk = 0.0031646 k( 225) = ( 0.6120914 0.3879087 0.0000000), wk = 0.0031646 k( 226) = ( 0.6061918 0.3938082 -0.0000000), wk = 0.0031646 k( 227) = ( 0.6002923 0.3997077 -0.0000000), wk = 0.0031646 k( 228) = ( 0.5943927 0.4056073 0.0000000), wk = 0.0031646 k( 229) = ( 0.5884932 0.4115068 0.0000000), wk = 0.0031646 k( 230) = ( 0.5825936 0.4174064 0.0000000), wk = 0.0031646 k( 231) = ( 0.5766941 0.4233059 0.0000000), wk = 0.0031646 k( 232) = ( 0.5707945 0.4292055 0.0000000), wk = 0.0031646 k( 233) = ( 0.5648950 0.4351050 0.0000000), wk = 0.0031646 k( 234) = ( 0.5589954 0.4410045 0.0000000), wk = 0.0031646 k( 235) = ( 0.5530959 0.4469041 0.0000000), wk = 0.0031646 k( 236) = ( 0.5471964 0.4528036 0.0000000), wk = 0.0031646 k( 237) = ( 0.5412968 0.4587032 0.0000000), wk = 0.0031646 k( 238) = ( 0.5353973 0.4646027 0.0000000), wk = 0.0031646 k( 239) = ( 0.5294977 0.4705023 0.0000000), wk = 0.0031646 k( 240) = ( 0.5235982 0.4764018 0.0000000), wk = 0.0031646 k( 241) = ( 0.5176986 0.4823014 0.0000000), wk = 0.0031646 k( 242) = ( 0.5117991 0.4882009 0.0000000), wk = 0.0031646 k( 243) = ( 0.5058995 0.4941005 0.0000000), wk = 0.0031646 k( 244) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 245) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 246) = ( 0.5199110 0.5199110 0.0226781), wk = 0.0031646 k( 247) = ( 0.5398219 0.5398219 0.0453561), wk = 0.0031646 k( 248) = ( 0.5597329 0.5597329 0.0680342), wk = 0.0031646 k( 249) = ( 0.5796438 0.5796438 0.0907123), wk = 0.0031646 k( 250) = ( 0.5995548 0.5995548 0.1133904), wk = 0.0031646 k( 251) = ( 0.6194658 0.6194658 0.1360684), wk = 0.0031646 k( 252) = ( 0.6393767 0.6393767 0.1587465), wk = 0.0031646 k( 253) = ( 0.6592877 0.6592877 0.1814246), wk = 0.0031646 k( 254) = ( 0.6592877 0.6592877 0.1814246), wk = 0.0031646 k( 255) = ( 0.6558249 0.6558249 0.1883501), wk = 0.0031646 k( 256) = ( 0.6523621 0.6523621 0.1952757), wk = 0.0031646 k( 257) = ( 0.6488994 0.6488994 0.2022013), wk = 0.0031646 k( 258) = ( 0.6454366 0.6454366 0.2091268), wk = 0.0031646 k( 259) = ( 0.6419738 0.6419738 0.2160523), wk = 0.0031646 k( 260) = ( 0.6385110 0.6385110 0.2229779), wk = 0.0031646 k( 261) = ( 0.6350483 0.6350483 0.2299035), wk = 0.0031646 k( 262) = ( 0.6315855 0.6315855 0.2368290), wk = 0.0031646 k( 263) = ( 0.6281227 0.6281227 0.2437546), wk = 0.0031646 k( 264) = ( 0.6246599 0.6246599 0.2506801), wk = 0.0031646 k( 265) = ( 0.6211972 0.6211972 0.2576057), wk = 0.0031646 k( 266) = ( 0.6177344 0.6177344 0.2645312), wk = 0.0031646 k( 267) = ( 0.6142716 0.6142716 0.2714568), wk = 0.0031646 k( 268) = ( 0.6108088 0.6108088 0.2783823), wk = 0.0031646 k( 269) = ( 0.6073461 0.6073461 0.2853079), wk = 0.0031646 k( 270) = ( 0.6038833 0.6038833 0.2922334), wk = 0.0031646 k( 271) = ( 0.6004205 0.6004205 0.2991590), wk = 0.0031646 k( 272) = ( 0.5969577 0.5969577 0.3060845), wk = 0.0031646 k( 273) = ( 0.5934950 0.5934950 0.3130101), wk = 0.0031646 k( 274) = ( 0.5900322 0.5900322 0.3199356), wk = 0.0031646 k( 275) = ( 0.5865694 0.5865694 0.3268612), wk = 0.0031646 k( 276) = ( 0.5831066 0.5831066 0.3337867), wk = 0.0031646 k( 277) = ( 0.5796438 0.5796438 0.3407123), wk = 0.0031646 k( 278) = ( 0.5761811 0.5761811 0.3476379), wk = 0.0031646 k( 279) = ( 0.5727183 0.5727183 0.3545634), wk = 0.0031646 k( 280) = ( 0.5692555 0.5692555 0.3614890), wk = 0.0031646 k( 281) = ( 0.5657927 0.5657927 0.3684145), wk = 0.0031646 k( 282) = ( 0.5623300 0.5623300 0.3753401), wk = 0.0031646 k( 283) = ( 0.5588672 0.5588672 0.3822656), wk = 0.0031646 k( 284) = ( 0.5554044 0.5554044 0.3891912), wk = 0.0031646 k( 285) = ( 0.5519416 0.5519416 0.3961167), wk = 0.0031646 k( 286) = ( 0.5484789 0.5484789 0.4030423), wk = 0.0031646 k( 287) = ( 0.5450161 0.5450161 0.4099678), wk = 0.0031646 k( 288) = ( 0.5415533 0.5415533 0.4168934), wk = 0.0031646 k( 289) = ( 0.5380905 0.5380905 0.4238189), wk = 0.0031646 k( 290) = ( 0.5346278 0.5346278 0.4307445), wk = 0.0031646 k( 291) = ( 0.5311650 0.5311650 0.4376700), wk = 0.0031646 k( 292) = ( 0.5277022 0.5277022 0.4445956), wk = 0.0031646 k( 293) = ( 0.5242394 0.5242394 0.4515211), wk = 0.0031646 k( 294) = ( 0.5207767 0.5207767 0.4584467), wk = 0.0031646 k( 295) = ( 0.5173139 0.5173139 0.4653722), wk = 0.0031646 k( 296) = ( 0.5138511 0.5138511 0.4722978), wk = 0.0031646 k( 297) = ( 0.5103883 0.5103883 0.4792233), wk = 0.0031646 k( 298) = ( 0.5069255 0.5069255 0.4861489), wk = 0.0031646 k( 299) = ( 0.5034628 0.5034628 0.4930744), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 301) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031646 k( 302) = ( 0.5212384 0.0227142 0.0227142), wk = 0.0031646 k( 303) = ( 0.5424767 0.0454283 0.0454283), wk = 0.0031646 k( 304) = ( 0.5637151 0.0681425 0.0681425), wk = 0.0031646 k( 305) = ( 0.5849534 0.0908566 0.0908566), wk = 0.0031646 k( 306) = ( 0.6061918 0.1135708 0.1135708), wk = 0.0031646 k( 307) = ( 0.6274302 0.1362849 0.1362849), wk = 0.0031646 k( 308) = ( 0.6486685 0.1589991 0.1589991), wk = 0.0031646 k( 309) = ( 0.6699069 0.1817132 0.1817132), wk = 0.0031646 k( 310) = ( 0.6911452 0.2044274 0.2044274), wk = 0.0031646 k( 311) = ( 0.7123836 0.2271415 0.2271415), wk = 0.0031646 k( 312) = ( 0.7336220 0.2498557 0.2498557), wk = 0.0031646 k( 313) = ( 0.7548603 0.2725698 0.2725698), wk = 0.0031646 k( 314) = ( 0.7760987 0.2952840 0.2952840), wk = 0.0031646 k( 315) = ( 0.7973370 0.3179981 0.3179981), wk = 0.0031646 k( 316) = ( 0.8185754 0.3407123 0.3407123), wk = 0.0031646 Dense grid: 34031 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 25763 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 188, 46) NL pseudopotentials 0.20 Mb ( 94, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 945) G-vector shells 0.01 Mb ( 806) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 188, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TlInS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.1 secs Computing kpt #: 18 total cpu time spent up to now is 14.6 secs Computing kpt #: 19 total cpu time spent up to now is 15.2 secs Computing kpt #: 20 total cpu time spent up to now is 15.7 secs Computing kpt #: 21 total cpu time spent up to now is 16.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.6 secs Computing kpt #: 24 total cpu time spent up to now is 18.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.7 secs Computing kpt #: 26 total cpu time spent up to now is 19.2 secs Computing kpt #: 27 total cpu time spent up to now is 19.8 secs Computing kpt #: 28 total cpu time spent up to now is 20.3 secs Computing kpt #: 29 total cpu time spent up to now is 20.9 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.1 secs Computing kpt #: 32 total cpu time spent up to now is 22.7 secs Computing kpt #: 33 total cpu time spent up to now is 23.3 secs Computing kpt #: 34 total cpu time spent up to now is 23.9 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 25.5 secs Computing kpt #: 38 total cpu time spent up to now is 26.1 secs Computing kpt #: 39 total cpu time spent up to now is 26.6 secs Computing kpt #: 40 total cpu time spent up to now is 27.1 secs Computing kpt #: 41 total cpu time spent up to now is 27.7 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.8 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.8 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.4 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.3 secs Computing kpt #: 52 total cpu time spent up to now is 33.8 secs Computing kpt #: 53 total cpu time spent up to now is 34.3 secs Computing kpt #: 54 total cpu time spent up to now is 34.8 secs Computing kpt #: 55 total cpu time spent up to now is 35.3 secs Computing kpt #: 56 total cpu time spent up to now is 35.9 secs Computing kpt #: 57 total cpu time spent up to now is 36.4 secs Computing kpt #: 58 total cpu time spent up to now is 36.9 secs Computing kpt #: 59 total cpu time spent up to now is 37.5 secs Computing kpt #: 60 total cpu time spent up to now is 38.1 secs Computing kpt #: 61 total cpu time spent up to now is 38.7 secs Computing kpt #: 62 total cpu time spent up to now is 39.4 secs Computing kpt #: 63 total cpu time spent up to now is 40.0 secs Computing kpt #: 64 total cpu time spent up to now is 40.6 secs Computing kpt #: 65 total cpu time spent up to now is 41.1 secs Computing kpt #: 66 total cpu time spent up to now is 41.7 secs Computing kpt #: 67 total cpu time spent up to now is 42.2 secs Computing kpt #: 68 total cpu time spent up to now is 42.6 secs Computing kpt #: 69 total cpu time spent up to now is 43.1 secs Computing kpt #: 70 total cpu time spent up to now is 43.6 secs Computing kpt #: 71 total cpu time spent up to now is 44.1 secs Computing kpt #: 72 total cpu time spent up to now is 44.6 secs Computing kpt #: 73 total cpu time spent up to now is 45.1 secs Computing kpt #: 74 total cpu time spent up to now is 45.6 secs Computing kpt #: 75 total cpu time spent up to now is 46.0 secs Computing kpt #: 76 total cpu time spent up to now is 46.5 secs Computing kpt #: 77 total cpu time spent up to now is 47.1 secs Computing kpt #: 78 total cpu time spent up to now is 47.6 secs Computing kpt #: 79 total cpu time spent up to now is 48.1 secs Computing kpt #: 80 total cpu time spent up to now is 48.6 secs Computing kpt #: 81 total cpu time spent up to now is 49.1 secs Computing kpt #: 82 total cpu time spent up to now is 49.6 secs Computing kpt #: 83 total cpu time spent up to now is 50.1 secs Computing kpt #: 84 total cpu time spent up to now is 50.6 secs Computing kpt #: 85 total cpu time spent up to now is 51.1 secs Computing kpt #: 86 total cpu time spent up to now is 51.6 secs Computing kpt #: 87 total cpu time spent up to now is 52.1 secs Computing kpt #: 88 total cpu time spent up to now is 52.6 secs Computing kpt #: 89 total cpu time spent up to now is 53.1 secs Computing kpt #: 90 total cpu time spent up to now is 53.6 secs Computing kpt #: 91 total cpu time spent up to now is 54.2 secs Computing kpt #: 92 total cpu time spent up to now is 54.7 secs Computing kpt #: 93 total cpu time spent up to now is 55.2 secs Computing kpt #: 94 total cpu time spent up to now is 55.7 secs Computing kpt #: 95 total cpu time spent up to now is 56.3 secs Computing kpt #: 96 total cpu time spent up to now is 56.8 secs Computing kpt #: 97 total cpu time spent up to now is 57.3 secs Computing kpt #: 98 total cpu time spent up to now is 57.9 secs Computing kpt #: 99 total cpu time spent up to now is 58.4 secs Computing kpt #: 100 total cpu time spent up to now is 58.9 secs Computing kpt #: 101 total cpu time spent up to now is 59.4 secs Computing kpt #: 102 total cpu time spent up to now is 60.0 secs Computing kpt #: 103 total cpu time spent up to now is 60.5 secs Computing kpt #: 104 total cpu time spent up to now is 61.0 secs Computing kpt #: 105 total cpu time spent up to now is 61.5 secs Computing kpt #: 106 total cpu time spent up to now is 62.1 secs Computing kpt #: 107 total cpu time spent up to now is 62.6 secs Computing kpt #: 108 total cpu time spent up to now is 63.2 secs Computing kpt #: 109 total cpu time spent up to now is 63.8 secs Computing kpt #: 110 total cpu time spent up to now is 64.4 secs Computing kpt #: 111 total cpu time spent up to now is 64.9 secs Computing kpt #: 112 total cpu time spent up to now is 65.5 secs Computing kpt #: 113 total cpu time spent up to now is 66.0 secs Computing kpt #: 114 total cpu time spent up to now is 66.6 secs Computing kpt #: 115 total cpu time spent up to now is 67.1 secs Computing kpt #: 116 total cpu time spent up to now is 67.6 secs Computing kpt #: 117 total cpu time spent up to now is 68.1 secs Computing kpt #: 118 total cpu time spent up to now is 68.6 secs Computing kpt #: 119 total cpu time spent up to now is 69.2 secs Computing kpt #: 120 total cpu time spent up to now is 69.7 secs Computing kpt #: 121 total cpu time spent up to now is 70.2 secs Computing kpt #: 122 total cpu time spent up to now is 70.7 secs Computing kpt #: 123 total cpu time spent up to now is 71.2 secs Computing kpt #: 124 total cpu time spent up to now is 71.8 secs Computing kpt #: 125 total cpu time spent up to now is 72.3 secs Computing kpt #: 126 total cpu time spent up to now is 72.9 secs Computing kpt #: 127 total cpu time spent up to now is 73.4 secs Computing kpt #: 128 total cpu time spent up to now is 73.9 secs Computing kpt #: 129 total cpu time spent up to now is 74.6 secs Computing kpt #: 130 total cpu time spent up to now is 75.2 secs Computing kpt #: 131 total cpu time spent up to now is 75.8 secs Computing kpt #: 132 total cpu time spent up to now is 76.5 secs Computing kpt #: 133 total cpu time spent up to now is 77.1 secs Computing kpt #: 134 total cpu time spent up to now is 77.9 secs Computing kpt #: 135 total cpu time spent up to now is 78.5 secs Computing kpt #: 136 total cpu time spent up to now is 79.1 secs Computing kpt #: 137 total cpu time spent up to now is 79.6 secs Computing kpt #: 138 total cpu time spent up to now is 80.1 secs Computing kpt #: 139 total cpu time spent up to now is 80.6 secs Computing kpt #: 140 total cpu time spent up to now is 81.2 secs Computing kpt #: 141 total cpu time spent up to now is 81.8 secs Computing kpt #: 142 total cpu time spent up to now is 82.5 secs Computing kpt #: 143 total cpu time spent up to now is 83.1 secs Computing kpt #: 144 total cpu time spent up to now is 83.8 secs Computing kpt #: 145 total cpu time spent up to now is 84.5 secs Computing kpt #: 146 total cpu time spent up to now is 85.1 secs Computing kpt #: 147 total cpu time spent up to now is 85.8 secs Computing kpt #: 148 total cpu time spent up to now is 86.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.0 secs Computing kpt #: 150 total cpu time spent up to now is 87.7 secs Computing kpt #: 151 total cpu time spent up to now is 88.3 secs Computing kpt #: 152 total cpu time spent up to now is 89.0 secs Computing kpt #: 153 total cpu time spent up to now is 89.6 secs Computing kpt #: 154 total cpu time spent up to now is 90.2 secs Computing kpt #: 155 total cpu time spent up to now is 90.9 secs Computing kpt #: 156 total cpu time spent up to now is 91.5 secs Computing kpt #: 157 total cpu time spent up to now is 92.1 secs Computing kpt #: 158 total cpu time spent up to now is 92.8 secs Computing kpt #: 159 total cpu time spent up to now is 93.4 secs Computing kpt #: 160 total cpu time spent up to now is 94.0 secs Computing kpt #: 161 total cpu time spent up to now is 94.7 secs Computing kpt #: 162 total cpu time spent up to now is 95.3 secs Computing kpt #: 163 total cpu time spent up to now is 95.9 secs Computing kpt #: 164 total cpu time spent up to now is 96.6 secs Computing kpt #: 165 total cpu time spent up to now is 97.2 secs Computing kpt #: 166 total cpu time spent up to now is 97.9 secs Computing kpt #: 167 total cpu time spent up to now is 98.5 secs Computing kpt #: 168 total cpu time spent up to now is 99.2 secs Computing kpt #: 169 total cpu time spent up to now is 99.9 secs Computing kpt #: 170 total cpu time spent up to now is 100.5 secs Computing kpt #: 171 total cpu time spent up to now is 101.2 secs Computing kpt #: 172 total cpu time spent up to now is 101.8 secs Computing kpt #: 173 total cpu time spent up to now is 102.4 secs Computing kpt #: 174 total cpu time spent up to now is 103.0 secs Computing kpt #: 175 total cpu time spent up to now is 103.6 secs Computing kpt #: 176 total cpu time spent up to now is 104.3 secs Computing kpt #: 177 total cpu time spent up to now is 104.9 secs Computing kpt #: 178 total cpu time spent up to now is 105.5 secs Computing kpt #: 179 total cpu time spent up to now is 106.1 secs Computing kpt #: 180 total cpu time spent up to now is 106.6 secs Computing kpt #: 181 total cpu time spent up to now is 107.2 secs Computing kpt #: 182 total cpu time spent up to now is 107.7 secs Computing kpt #: 183 total cpu time spent up to now is 108.3 secs Computing kpt #: 184 total cpu time spent up to now is 108.8 secs Computing kpt #: 185 total cpu time spent up to now is 109.3 secs Computing kpt #: 186 total cpu time spent up to now is 109.8 secs Computing kpt #: 187 total cpu time spent up to now is 110.4 secs Computing kpt #: 188 total cpu time spent up to now is 110.9 secs Computing kpt #: 189 total cpu time spent up to now is 111.4 secs Computing kpt #: 190 total cpu time spent up to now is 111.9 secs Computing kpt #: 191 total cpu time spent up to now is 112.5 secs Computing kpt #: 192 total cpu time spent up to now is 113.0 secs Computing kpt #: 193 total cpu time spent up to now is 113.5 secs Computing kpt #: 194 total cpu time spent up to now is 114.0 secs Computing kpt #: 195 total cpu time spent up to now is 114.5 secs Computing kpt #: 196 total cpu time spent up to now is 115.0 secs Computing kpt #: 197 total cpu time spent up to now is 115.5 secs Computing kpt #: 198 total cpu time spent up to now is 116.0 secs Computing kpt #: 199 total cpu time spent up to now is 116.5 secs Computing kpt #: 200 total cpu time spent up to now is 116.9 secs Computing kpt #: 201 total cpu time spent up to now is 117.4 secs Computing kpt #: 202 total cpu time spent up to now is 117.9 secs Computing kpt #: 203 total cpu time spent up to now is 118.4 secs Computing kpt #: 204 total cpu time spent up to now is 118.9 secs Computing kpt #: 205 total cpu time spent up to now is 119.4 secs Computing kpt #: 206 total cpu time spent up to now is 119.8 secs Computing kpt #: 207 total cpu time spent up to now is 120.3 secs Computing kpt #: 208 total cpu time spent up to now is 120.8 secs Computing kpt #: 209 total cpu time spent up to now is 121.3 secs Computing kpt #: 210 total cpu time spent up to now is 121.8 secs Computing kpt #: 211 total cpu time spent up to now is 122.3 secs Computing kpt #: 212 total cpu time spent up to now is 122.8 secs Computing kpt #: 213 total cpu time spent up to now is 123.3 secs Computing kpt #: 214 total cpu time spent up to now is 123.8 secs Computing kpt #: 215 total cpu time spent up to now is 124.2 secs Computing kpt #: 216 total cpu time spent up to now is 124.7 secs Computing kpt #: 217 total cpu time spent up to now is 125.2 secs Computing kpt #: 218 total cpu time spent up to now is 125.7 secs Computing kpt #: 219 total cpu time spent up to now is 126.2 secs Computing kpt #: 220 total cpu time spent up to now is 126.7 secs Computing kpt #: 221 total cpu time spent up to now is 127.2 secs Computing kpt #: 222 total cpu time spent up to now is 127.7 secs Computing kpt #: 223 total cpu time spent up to now is 128.2 secs Computing kpt #: 224 total cpu time spent up to now is 128.6 secs Computing kpt #: 225 total cpu time spent up to now is 129.1 secs Computing kpt #: 226 total cpu time spent up to now is 129.6 secs Computing kpt #: 227 total cpu time spent up to now is 130.1 secs Computing kpt #: 228 total cpu time spent up to now is 130.6 secs Computing kpt #: 229 total cpu time spent up to now is 131.1 secs Computing kpt #: 230 total cpu time spent up to now is 131.6 secs Computing kpt #: 231 total cpu time spent up to now is 132.1 secs Computing kpt #: 232 total cpu time spent up to now is 132.6 secs Computing kpt #: 233 total cpu time spent up to now is 133.1 secs Computing kpt #: 234 total cpu time spent up to now is 133.6 secs Computing kpt #: 235 total cpu time spent up to now is 134.1 secs Computing kpt #: 236 total cpu time spent up to now is 134.6 secs Computing kpt #: 237 total cpu time spent up to now is 135.1 secs Computing kpt #: 238 total cpu time spent up to now is 135.6 secs Computing kpt #: 239 total cpu time spent up to now is 136.0 secs Computing kpt #: 240 total cpu time spent up to now is 136.5 secs Computing kpt #: 241 total cpu time spent up to now is 137.0 secs Computing kpt #: 242 total cpu time spent up to now is 137.5 secs Computing kpt #: 243 total cpu time spent up to now is 138.0 secs Computing kpt #: 244 total cpu time spent up to now is 138.5 secs Computing kpt #: 245 total cpu time spent up to now is 139.0 secs Computing kpt #: 246 total cpu time spent up to now is 139.4 secs Computing kpt #: 247 total cpu time spent up to now is 139.9 secs Computing kpt #: 248 total cpu time spent up to now is 140.4 secs Computing kpt #: 249 total cpu time spent up to now is 140.9 secs Computing kpt #: 250 total cpu time spent up to now is 141.4 secs Computing kpt #: 251 total cpu time spent up to now is 141.9 secs Computing kpt #: 252 total cpu time spent up to now is 142.4 secs Computing kpt #: 253 total cpu time spent up to now is 142.9 secs Computing kpt #: 254 total cpu time spent up to now is 143.4 secs Computing kpt #: 255 total cpu time spent up to now is 143.9 secs Computing kpt #: 256 total cpu time spent up to now is 144.3 secs Computing kpt #: 257 total cpu time spent up to now is 144.8 secs Computing kpt #: 258 total cpu time spent up to now is 145.3 secs Computing kpt #: 259 total cpu time spent up to now is 145.8 secs Computing kpt #: 260 total cpu time spent up to now is 146.3 secs Computing kpt #: 261 total cpu time spent up to now is 146.8 secs Computing kpt #: 262 total cpu time spent up to now is 147.3 secs Computing kpt #: 263 total cpu time spent up to now is 147.8 secs Computing kpt #: 264 total cpu time spent up to now is 148.3 secs Computing kpt #: 265 total cpu time spent up to now is 148.8 secs Computing kpt #: 266 total cpu time spent up to now is 149.3 secs Computing kpt #: 267 total cpu time spent up to now is 149.8 secs Computing kpt #: 268 total cpu time spent up to now is 150.3 secs Computing kpt #: 269 total cpu time spent up to now is 150.8 secs Computing kpt #: 270 total cpu time spent up to now is 151.3 secs Computing kpt #: 271 total cpu time spent up to now is 151.8 secs Computing kpt #: 272 total cpu time spent up to now is 152.3 secs Computing kpt #: 273 total cpu time spent up to now is 152.8 secs Computing kpt #: 274 total cpu time spent up to now is 153.3 secs Computing kpt #: 275 total cpu time spent up to now is 153.8 secs Computing kpt #: 276 total cpu time spent up to now is 154.4 secs Computing kpt #: 277 total cpu time spent up to now is 154.9 secs Computing kpt #: 278 total cpu time spent up to now is 155.4 secs Computing kpt #: 279 total cpu time spent up to now is 156.0 secs Computing kpt #: 280 total cpu time spent up to now is 156.5 secs Computing kpt #: 281 total cpu time spent up to now is 157.1 secs Computing kpt #: 282 total cpu time spent up to now is 157.6 secs Computing kpt #: 283 total cpu time spent up to now is 158.2 secs Computing kpt #: 284 total cpu time spent up to now is 158.7 secs Computing kpt #: 285 total cpu time spent up to now is 159.2 secs Computing kpt #: 286 total cpu time spent up to now is 159.7 secs Computing kpt #: 287 total cpu time spent up to now is 160.2 secs Computing kpt #: 288 total cpu time spent up to now is 160.8 secs Computing kpt #: 289 total cpu time spent up to now is 161.3 secs Computing kpt #: 290 total cpu time spent up to now is 161.8 secs Computing kpt #: 291 total cpu time spent up to now is 162.4 secs Computing kpt #: 292 total cpu time spent up to now is 163.0 secs Computing kpt #: 293 total cpu time spent up to now is 163.7 secs Computing kpt #: 294 total cpu time spent up to now is 164.3 secs Computing kpt #: 295 total cpu time spent up to now is 164.9 secs Computing kpt #: 296 total cpu time spent up to now is 165.5 secs Computing kpt #: 297 total cpu time spent up to now is 166.1 secs Computing kpt #: 298 total cpu time spent up to now is 166.6 secs Computing kpt #: 299 total cpu time spent up to now is 167.1 secs Computing kpt #: 300 total cpu time spent up to now is 167.7 secs Computing kpt #: 301 total cpu time spent up to now is 168.2 secs Computing kpt #: 302 total cpu time spent up to now is 168.7 secs Computing kpt #: 303 total cpu time spent up to now is 169.2 secs Computing kpt #: 304 total cpu time spent up to now is 169.8 secs Computing kpt #: 305 total cpu time spent up to now is 170.3 secs Computing kpt #: 306 total cpu time spent up to now is 170.8 secs Computing kpt #: 307 total cpu time spent up to now is 171.3 secs Computing kpt #: 308 total cpu time spent up to now is 171.8 secs Computing kpt #: 309 total cpu time spent up to now is 172.3 secs Computing kpt #: 310 total cpu time spent up to now is 172.8 secs Computing kpt #: 311 total cpu time spent up to now is 173.3 secs Computing kpt #: 312 total cpu time spent up to now is 173.8 secs Computing kpt #: 313 total cpu time spent up to now is 174.3 secs Computing kpt #: 314 total cpu time spent up to now is 174.8 secs Computing kpt #: 315 total cpu time spent up to now is 175.3 secs Computing kpt #: 316 total cpu time spent up to now is 175.8 secs ethr = 2.63E-08, avg # of iterations = 17.9 total cpu time spent up to now is 175.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3227 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6668 -5.6668 -5.5730 -5.5730 -5.5547 -5.5547 -5.2004 -5.2004 -3.9350 -3.9350 -3.7842 -3.7842 -3.6941 -3.6941 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1166 1.1166 5.3335 5.3335 6.1613 6.1613 6.9600 6.9600 7.0644 7.0644 7.3711 7.3711 7.4060 7.4060 11.1842 11.1842 11.4333 11.4333 12.9191 12.9191 13.5233 13.5233 k = 0.0102-0.0187-0.0113 ( 3227 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6668 -5.6668 -5.5728 -5.5728 -5.5549 -5.5549 -5.1997 -5.1997 -3.9342 -3.9342 -3.7840 -3.7840 -3.6938 -3.6938 -1.6567 -1.6567 -1.5602 -1.5602 -1.4947 -1.4947 1.1179 1.1179 5.3285 5.3285 6.1620 6.1620 6.9586 6.9586 7.0623 7.0623 7.3697 7.3697 7.4041 7.4041 11.1894 11.1894 11.4317 11.4317 12.9218 12.9218 13.5258 13.5258 k = 0.0204-0.0374-0.0225 ( 3227 PWs) bands (ev): -6.4441 -6.4441 -6.4198 -6.4198 -5.6670 -5.6670 -5.5725 -5.5725 -5.5557 -5.5557 -5.1976 -5.1976 -3.9317 -3.9317 -3.7833 -3.7833 -3.6930 -3.6930 -1.6564 -1.6564 -1.5599 -1.5599 -1.4948 -1.4948 1.1219 1.1219 5.3137 5.3137 6.1639 6.1639 6.9543 6.9543 7.0561 7.0561 7.3639 7.3639 7.4002 7.4002 11.2049 11.2049 11.4271 11.4271 12.9298 12.9298 13.5333 13.5333 k = 0.0306-0.0561-0.0338 ( 3227 PWs) bands (ev): -6.4445 -6.4445 -6.4201 -6.4201 -5.6673 -5.6673 -5.5719 -5.5719 -5.5568 -5.5568 -5.1941 -5.1941 -3.9277 -3.9277 -3.7821 -3.7821 -3.6917 -3.6917 -1.6559 -1.6559 -1.5594 -1.5594 -1.4948 -1.4948 1.1286 1.1286 5.2896 5.2896 6.1663 6.1663 6.9468 6.9468 7.0459 7.0459 7.3511 7.3511 7.3982 7.3982 11.2292 11.2292 11.4202 11.4202 12.9430 12.9430 13.5457 13.5457 k = 0.0408-0.0749-0.0451 ( 3227 PWs) bands (ev): -6.4451 -6.4451 -6.4204 -6.4204 -5.6677 -5.6677 -5.5710 -5.5710 -5.5584 -5.5584 -5.1892 -5.1892 -3.9223 -3.9223 -3.7804 -3.7804 -3.6896 -3.6896 -1.6552 -1.6552 -1.5587 -1.5587 -1.4949 -1.4949 1.1380 1.1380 5.2570 5.2570 6.1680 6.1680 6.9353 6.9353 7.0316 7.0316 7.3323 7.3323 7.3989 7.3989 11.2594 11.2594 11.4134 11.4134 12.9610 12.9610 13.5630 13.5630 k = 0.0510-0.0936-0.0564 ( 3223 PWs) bands (ev): -6.4458 -6.4458 -6.4208 -6.4208 -5.6683 -5.6683 -5.5699 -5.5699 -5.5603 -5.5603 -5.1828 -5.1828 -3.9157 -3.9157 -3.7782 -3.7782 -3.6868 -3.6868 -1.6544 -1.6544 -1.5577 -1.5577 -1.4950 -1.4950 1.1501 1.1501 5.2168 5.2168 6.1676 6.1676 6.9193 6.9193 7.0127 7.0127 7.3114 7.3114 7.4010 7.4010 11.2882 11.2882 11.4130 11.4130 12.9832 12.9832 13.5849 13.5849 k = 0.0612-0.1123-0.0676 ( 3227 PWs) bands (ev): -6.4469 -6.4469 -6.4212 -6.4212 -5.6692 -5.6692 -5.5687 -5.5687 -5.5624 -5.5624 -5.1749 -5.1749 -3.9081 -3.9081 -3.7755 -3.7755 -3.6831 -3.6831 -1.6534 -1.6534 -1.5566 -1.5566 -1.4952 -1.4952 1.1649 1.1649 5.1698 5.1698 6.1637 6.1637 6.8986 6.8986 6.9882 6.9882 7.2924 7.2924 7.4037 7.4037 11.3013 11.3013 11.4321 11.4321 13.0088 13.0088 13.6111 13.6111 k = 0.0714-0.1310-0.0789 ( 3225 PWs) bands (ev): -6.4483 -6.4483 -6.4216 -6.4216 -5.6704 -5.6704 -5.5678 -5.5678 -5.5642 -5.5642 -5.1654 -5.1654 -3.8999 -3.8999 -3.7724 -3.7724 -3.6782 -3.6782 -1.6522 -1.6522 -1.5552 -1.5552 -1.4953 -1.4953 1.1823 1.1823 5.1169 5.1169 6.1544 6.1544 6.8731 6.8731 6.9577 6.9577 7.2787 7.2787 7.4062 7.4062 11.2927 11.2927 11.4757 11.4757 13.0367 13.0367 13.6412 13.6412 k = 0.0816-0.1497-0.0902 ( 3224 PWs) bands (ev): -6.4500 -6.4500 -6.4219 -6.4219 -5.6720 -5.6720 -5.5686 -5.5686 -5.5642 -5.5642 -5.1544 -5.1544 -3.8913 -3.8913 -3.7688 -3.7688 -3.6719 -3.6719 -1.6509 -1.6509 -1.5537 -1.5537 -1.4954 -1.4954 1.2025 1.2025 5.0587 5.0587 6.1383 6.1383 6.8431 6.8431 6.9219 6.9219 7.2720 7.2720 7.4082 7.4082 11.2707 11.2707 11.5341 11.5341 13.0655 13.0655 13.6744 13.6744 k = 0.0918-0.1684-0.1015 ( 3228 PWs) bands (ev): -6.4521 -6.4521 -6.4221 -6.4221 -5.6739 -5.6739 -5.5709 -5.5709 -5.5625 -5.5625 -5.1417 -5.1417 -3.8826 -3.8826 -3.7650 -3.7650 -3.6638 -3.6638 -1.6495 -1.6495 -1.5520 -1.5520 -1.4956 -1.4956 1.2253 1.2253 4.9960 4.9960 6.1138 6.1138 6.8089 6.8089 6.8829 6.8829 7.2724 7.2724 7.4095 7.4095 11.2413 11.2413 11.6002 11.6002 13.0929 13.0929 13.7091 13.7091 k = 0.1020-0.1872-0.1127 ( 3229 PWs) bands (ev): -6.4547 -6.4547 -6.4222 -6.4222 -5.6763 -5.6763 -5.5733 -5.5733 -5.5604 -5.5604 -5.1273 -5.1273 -3.8743 -3.8743 -3.7611 -3.7611 -3.6537 -3.6537 -1.6480 -1.6480 -1.5500 -1.5500 -1.4957 -1.4957 1.2509 1.2509 4.9293 4.9293 6.0794 6.0794 6.7713 6.7713 6.8432 6.8432 7.2791 7.2791 7.4100 7.4100 11.2070 11.2070 11.6701 11.6701 13.1160 13.1160 13.7423 13.7423 k = 0.1122-0.2059-0.1240 ( 3222 PWs) bands (ev): -6.4577 -6.4577 -6.4222 -6.4222 -5.6791 -5.6791 -5.5757 -5.5757 -5.5580 -5.5580 -5.1112 -5.1112 -3.8664 -3.8664 -3.7572 -3.7572 -3.6413 -3.6413 -1.6464 -1.6464 -1.5479 -1.5479 -1.4957 -1.4957 1.2792 1.2792 4.8589 4.8589 6.0342 6.0342 6.7315 6.7315 6.8046 6.8046 7.2906 7.2906 7.4096 7.4096 11.1688 11.1688 11.7413 11.7413 13.1307 13.1307 13.7669 13.7669 k = 0.1224-0.2246-0.1353 ( 3220 PWs) bands (ev): -6.4611 -6.4611 -6.4221 -6.4221 -5.6824 -5.6824 -5.5780 -5.5780 -5.5554 -5.5554 -5.0934 -5.0934 -3.8591 -3.8591 -3.7535 -3.7535 -3.6265 -3.6265 -1.6447 -1.6447 -1.5456 -1.5456 -1.4957 -1.4957 1.3101 1.3101 4.7854 4.7854 5.9781 5.9781 6.6909 6.6909 6.7678 6.7678 7.3059 7.3059 7.4085 7.4085 11.1276 11.1276 11.8116 11.8116 13.1320 13.1320 13.7743 13.7743 k = 0.1327-0.2433-0.1466 ( 3226 PWs) bands (ev): -6.4650 -6.4650 -6.4218 -6.4218 -5.6861 -5.6861 -5.5801 -5.5801 -5.5527 -5.5527 -5.0738 -5.0738 -3.8524 -3.8524 -3.7501 -3.7501 -3.6092 -3.6092 -1.6431 -1.6431 -1.5431 -1.5431 -1.4957 -1.4957 1.3438 1.3438 4.7090 4.7090 5.9115 5.9115 6.6505 6.6505 6.7335 6.7335 7.3234 7.3234 7.4069 7.4069 11.0838 11.0838 11.8788 11.8788 13.1148 13.1148 13.7709 13.7709 k = 0.1429-0.2620-0.1578 ( 3226 PWs) bands (ev): -6.4693 -6.4693 -6.4216 -6.4216 -5.6901 -5.6901 -5.5819 -5.5819 -5.5499 -5.5499 -5.0526 -5.0526 -3.8464 -3.8464 -3.7470 -3.7470 -3.5896 -3.5896 -1.6413 -1.6413 -1.5405 -1.5405 -1.4956 -1.4956 1.3801 1.3801 4.6300 4.6300 5.8355 5.8355 6.6104 6.6104 6.7019 6.7019 7.3417 7.3417 7.4055 7.4055 11.0379 11.0379 11.9401 11.9401 13.0766 13.0766 13.7704 13.7704 k = 0.1531-0.2807-0.1691 ( 3232 PWs) bands (ev): -6.4740 -6.4740 -6.4212 -6.4212 -5.6944 -5.6944 -5.5836 -5.5836 -5.5471 -5.5471 -5.0296 -5.0296 -3.8409 -3.8409 -3.7443 -3.7443 -3.5679 -3.5679 -1.6396 -1.6396 -1.5377 -1.5377 -1.4954 -1.4954 1.4191 1.4191 4.5488 4.5488 5.7516 5.7516 6.5703 6.5703 6.6734 6.6734 7.3577 7.3577 7.4064 7.4064 10.9901 10.9901 11.9918 11.9918 13.0196 13.0196 13.7786 13.7786 k = 0.1633-0.2994-0.1804 ( 3232 PWs) bands (ev): -6.4791 -6.4791 -6.4207 -6.4207 -5.6990 -5.6990 -5.5849 -5.5849 -5.5442 -5.5442 -5.0049 -5.0049 -3.8359 -3.8359 -3.7418 -3.7418 -3.5444 -3.5444 -1.6380 -1.6380 -1.5348 -1.5348 -1.4951 -1.4951 1.4607 1.4607 4.4655 4.4655 5.6614 5.6614 6.5298 6.5298 6.6480 6.6480 7.3668 7.3668 7.4138 7.4138 10.9408 10.9408 12.0291 12.0291 12.9513 12.9513 13.7950 13.7950 k = 0.1735-0.3182-0.1917 ( 3233 PWs) bands (ev): -6.4846 -6.4846 -6.4202 -6.4202 -5.7038 -5.7038 -5.5861 -5.5861 -5.5412 -5.5412 -4.9786 -4.9786 -3.8313 -3.8313 -3.7397 -3.7397 -3.5193 -3.5193 -1.6363 -1.6363 -1.5317 -1.5317 -1.4947 -1.4947 1.5049 1.5049 4.3804 4.3804 5.5666 5.5666 6.4887 6.4887 6.6255 6.6255 7.3672 7.3672 7.4289 7.4289 10.8902 10.8902 12.0455 12.0455 12.8823 12.8823 13.8163 13.8163 k = 0.1837-0.3369-0.2029 ( 3227 PWs) bands (ev): -6.4904 -6.4904 -6.4197 -6.4197 -5.7086 -5.7086 -5.5871 -5.5871 -5.5382 -5.5382 -4.9507 -4.9507 -3.8269 -3.8269 -3.7377 -3.7377 -3.4929 -3.4929 -1.6348 -1.6348 -1.5285 -1.5285 -1.4941 -1.4941 1.5517 1.5517 4.2938 4.2938 5.4686 5.4686 6.4470 6.4470 6.6055 6.6055 7.3625 7.3625 7.4473 7.4473 10.8386 10.8386 12.0335 12.0335 12.8244 12.8244 13.8388 13.8388 k = 0.1939-0.3556-0.2142 ( 3230 PWs) bands (ev): -6.4965 -6.4965 -6.4191 -6.4191 -5.7134 -5.7134 -5.5878 -5.5878 -5.5352 -5.5352 -4.9213 -4.9213 -3.8228 -3.8228 -3.7359 -3.7359 -3.4655 -3.4655 -1.6333 -1.6333 -1.5253 -1.5253 -1.4935 -1.4935 1.6009 1.6009 4.2058 4.2058 5.3685 5.3685 6.4049 6.4049 6.5876 6.5876 7.3553 7.3553 7.4660 7.4660 10.7860 10.7860 11.9884 11.9884 12.7862 12.7862 13.8591 13.8591 k = 0.2041-0.3743-0.2255 ( 3226 PWs) bands (ev): -6.5029 -6.5029 -6.4185 -6.4185 -5.7183 -5.7183 -5.5884 -5.5884 -5.5322 -5.5322 -4.8904 -4.8904 -3.8187 -3.8187 -3.7342 -3.7342 -3.4374 -3.4374 -1.6319 -1.6319 -1.5220 -1.5220 -1.4927 -1.4927 1.6526 1.6526 4.1168 4.1168 5.2675 5.2675 6.3625 6.3625 6.5714 6.5714 7.3467 7.3467 7.4835 7.4835 10.7325 10.7325 11.9117 11.9117 12.7695 12.7695 13.8748 13.8748 k = 0.2143-0.3930-0.2367 ( 3226 PWs) bands (ev): -6.5096 -6.5096 -6.4179 -6.4179 -5.7230 -5.7230 -5.5889 -5.5889 -5.5292 -5.5292 -4.8583 -4.8583 -3.8148 -3.8148 -3.7326 -3.7326 -3.4087 -3.4087 -1.6306 -1.6306 -1.5186 -1.5186 -1.4917 -1.4917 1.7065 1.7065 4.0269 4.0269 5.1664 5.1664 6.3201 6.3201 6.5566 6.5566 7.3371 7.3371 7.4989 7.4989 10.6779 10.6779 11.8106 11.8106 12.7697 12.7697 13.8842 13.8842 k = 0.2245-0.4117-0.2480 ( 3219 PWs) bands (ev): -6.5164 -6.5164 -6.4172 -6.4172 -5.7277 -5.7277 -5.5892 -5.5892 -5.5263 -5.5263 -4.8249 -4.8249 -3.8108 -3.8108 -3.7310 -3.7310 -3.3796 -3.3796 -1.6294 -1.6294 -1.5152 -1.5152 -1.4906 -1.4906 1.7627 1.7627 3.9366 3.9366 5.0660 5.0660 6.2778 6.2778 6.5428 6.5428 7.3267 7.3267 7.5115 7.5115 10.6219 10.6219 11.6941 11.6941 12.7804 12.7804 13.8864 13.8864 k = 0.2347-0.4305-0.2593 ( 3214 PWs) bands (ev): -6.5235 -6.5235 -6.4166 -6.4166 -5.7322 -5.7322 -5.5894 -5.5894 -5.5234 -5.5234 -4.7905 -4.7905 -3.8067 -3.8067 -3.7294 -3.7294 -3.3504 -3.3504 -1.6283 -1.6283 -1.5119 -1.5119 -1.4893 -1.4893 1.8209 1.8209 3.8460 3.8460 4.9671 4.9671 6.2358 6.2358 6.5298 6.5298 7.3157 7.3157 7.5206 7.5206 10.5640 10.5640 11.5701 11.5701 12.7962 12.7962 13.8813 13.8813 k = 0.2449-0.4492-0.2706 ( 3211 PWs) bands (ev): -6.5307 -6.5307 -6.4160 -6.4160 -5.7365 -5.7365 -5.5895 -5.5895 -5.5205 -5.5205 -4.7552 -4.7552 -3.8026 -3.8026 -3.7277 -3.7277 -3.3212 -3.3212 -1.6274 -1.6274 -1.5086 -1.5086 -1.4879 -1.4879 1.8810 1.8810 3.7555 3.7555 4.8700 4.8700 6.1944 6.1944 6.5175 6.5175 7.3042 7.3042 7.5259 7.5259 10.5036 10.5036 11.4445 11.4445 12.8137 12.8137 13.8693 13.8693 k = 0.2551-0.4679-0.2818 ( 3209 PWs) bands (ev): -6.5379 -6.5379 -6.4154 -6.4154 -5.7406 -5.7406 -5.5895 -5.5895 -5.5178 -5.5178 -4.7191 -4.7191 -3.7983 -3.7983 -3.7259 -3.7259 -3.2922 -3.2922 -1.6266 -1.6266 -1.5054 -1.5054 -1.4863 -1.4863 1.9426 1.9426 3.6655 3.6655 4.7755 4.7755 6.1535 6.1535 6.5057 6.5057 7.2924 7.2924 7.5267 7.5267 10.4398 10.4398 11.3221 11.3221 12.8307 12.8307 13.8516 13.8516 k = 0.2653-0.4866-0.2931 ( 3213 PWs) bands (ev): -6.5453 -6.5453 -6.4148 -6.4148 -5.7445 -5.7445 -5.5895 -5.5895 -5.5150 -5.5150 -4.6825 -4.6825 -3.7939 -3.7939 -3.7239 -3.7239 -3.2636 -3.2636 -1.6259 -1.6259 -1.5023 -1.5023 -1.4845 -1.4845 2.0056 2.0056 3.5764 3.5764 4.6839 4.6839 6.1135 6.1135 6.4940 6.4940 7.2803 7.2803 7.5227 7.5227 10.3715 10.3715 11.2066 11.2066 12.8460 12.8460 13.8294 13.8294 k = 0.2755-0.5053-0.3044 ( 3214 PWs) bands (ev): -6.5527 -6.5527 -6.4142 -6.4142 -5.7482 -5.7482 -5.5894 -5.5894 -5.5124 -5.5124 -4.6454 -4.6454 -3.7894 -3.7894 -3.7216 -3.7216 -3.2356 -3.2356 -1.6253 -1.6253 -1.4995 -1.4995 -1.4826 -1.4826 2.0695 2.0695 3.4887 3.4887 4.5958 4.5958 6.0743 6.0743 6.4825 6.4825 7.2680 7.2680 7.5135 7.5135 10.2979 10.2979 11.1009 11.1009 12.8588 12.8588 13.8039 13.8039 k = 0.2857-0.5240-0.3157 ( 3213 PWs) bands (ev): -6.5600 -6.5600 -6.4137 -6.4137 -5.7517 -5.7517 -5.5892 -5.5892 -5.5098 -5.5098 -4.6082 -4.6082 -3.7847 -3.7847 -3.7189 -3.7189 -3.2082 -3.2082 -1.6249 -1.6249 -1.4970 -1.4970 -1.4804 -1.4804 2.1337 2.1337 3.4029 3.4029 4.5116 4.5116 6.0362 6.0362 6.4708 6.4708 7.2556 7.2556 7.4988 7.4988 10.2185 10.2185 11.0071 11.0071 12.8690 12.8690 13.7765 13.7765 k = 0.2959-0.5428-0.3269 ( 3211 PWs) bands (ev): -6.5673 -6.5673 -6.4132 -6.4132 -5.7549 -5.7549 -5.5890 -5.5890 -5.5072 -5.5072 -4.5710 -4.5710 -3.7799 -3.7799 -3.7157 -3.7157 -3.1816 -3.1816 -1.6245 -1.6245 -1.4947 -1.4947 -1.4780 -1.4780 2.1977 2.1977 3.3198 3.3198 4.4318 4.4318 5.9992 5.9992 6.4587 6.4587 7.2432 7.2432 7.4785 7.4785 10.1338 10.1338 10.9259 10.9259 12.8765 12.8765 13.7481 13.7481 k = 0.3061-0.5615-0.3382 ( 3209 PWs) bands (ev): -6.5745 -6.5745 -6.4127 -6.4127 -5.7579 -5.7579 -5.5887 -5.5887 -5.5048 -5.5048 -4.5342 -4.5342 -3.7752 -3.7752 -3.7117 -3.7117 -3.1559 -3.1559 -1.6243 -1.6243 -1.4928 -1.4928 -1.4754 -1.4754 2.2604 2.2604 3.2400 3.2400 4.3569 4.3569 5.9634 5.9634 6.4459 6.4459 7.2308 7.2308 7.4526 7.4526 10.0448 10.0448 10.8575 10.8575 12.8812 12.8812 13.7197 13.7197 k = 0.3163-0.5802-0.3495 ( 3207 PWs) bands (ev): -6.5815 -6.5815 -6.4122 -6.4122 -5.7607 -5.7607 -5.5884 -5.5884 -5.5024 -5.5024 -4.4979 -4.4979 -3.7706 -3.7706 -3.7069 -3.7069 -3.1314 -3.1314 -1.6242 -1.6242 -1.4912 -1.4912 -1.4727 -1.4727 2.3206 2.3206 3.1648 3.1648 4.2875 4.2875 5.9290 5.9290 6.4320 6.4320 7.2185 7.2185 7.4211 7.4211 9.9533 9.9533 10.8006 10.8006 12.8833 12.8833 13.6920 13.6920 k = 0.3265-0.5989-0.3608 ( 3207 PWs) bands (ev): -6.5884 -6.5884 -6.4118 -6.4118 -5.7633 -5.7633 -5.5880 -5.5880 -5.5001 -5.5001 -4.4625 -4.4625 -3.7662 -3.7662 -3.7009 -3.7009 -3.1080 -3.1080 -1.6242 -1.6242 -1.4900 -1.4900 -1.4699 -1.4699 2.3764 2.3764 3.0957 3.0957 4.2243 4.2243 5.8959 5.8959 6.4166 6.4166 7.2064 7.2064 7.3845 7.3845 9.8612 9.8612 10.7540 10.7540 12.8830 12.8830 13.6653 13.6653 k = 0.3367-0.6176-0.3720 ( 3209 PWs) bands (ev): -6.5951 -6.5951 -6.4114 -6.4114 -5.7657 -5.7657 -5.5877 -5.5877 -5.4979 -5.4979 -4.4282 -4.4282 -3.7622 -3.7622 -3.6936 -3.6936 -3.0859 -3.0859 -1.6242 -1.6242 -1.4892 -1.4892 -1.4670 -1.4670 2.4253 2.4253 3.0347 3.0347 4.1680 4.1680 5.8643 5.8643 6.3991 6.3991 7.1944 7.1944 7.3433 7.3433 9.7704 9.7704 10.7161 10.7161 12.8806 12.8806 13.6402 13.6402 k = 0.3469-0.6363-0.3833 ( 3210 PWs) bands (ev): -6.6015 -6.6015 -6.4110 -6.4110 -5.7678 -5.7678 -5.5873 -5.5873 -5.4958 -5.4958 -4.3953 -4.3953 -3.7586 -3.7586 -3.6848 -3.6848 -3.0652 -3.0652 -1.6243 -1.6243 -1.4886 -1.4886 -1.4642 -1.4642 2.4636 2.4636 2.9850 2.9850 4.1196 4.1196 5.8343 5.8343 6.3791 6.3791 7.1825 7.1825 7.2986 7.2986 9.6827 9.6827 10.6854 10.6854 12.8762 12.8762 13.6167 13.6167 k = 0.3571-0.6550-0.3946 ( 3213 PWs) bands (ev): -6.6077 -6.6077 -6.4106 -6.4106 -5.7699 -5.7699 -5.5869 -5.5869 -5.4939 -5.4939 -4.3641 -4.3641 -3.7555 -3.7555 -3.6746 -3.6746 -3.0459 -3.0459 -1.6245 -1.6245 -1.4884 -1.4884 -1.4613 -1.4613 2.4871 2.4871 2.9498 2.9498 4.0800 4.0800 5.8060 5.8060 6.3556 6.3556 7.1703 7.1703 7.2519 7.2519 9.5992 9.5992 10.6607 10.6607 12.8703 12.8703 13.5949 13.5949 k = 0.3673-0.6738-0.4059 ( 3219 PWs) bands (ev): -6.6136 -6.6136 -6.4103 -6.4103 -5.7717 -5.7717 -5.5865 -5.5865 -5.4920 -5.4920 -4.3347 -4.3347 -3.7529 -3.7529 -3.6628 -3.6628 -3.0282 -3.0282 -1.6248 -1.6248 -1.4885 -1.4885 -1.4586 -1.4586 2.4927 2.4927 2.9314 2.9314 4.0502 4.0502 5.7793 5.7793 6.3281 6.3281 7.1564 7.1564 7.2059 7.2059 9.5209 9.5209 10.6409 10.6409 12.8631 12.8631 13.5750 13.5750 k = 0.3776-0.6925-0.4171 ( 3222 PWs) bands (ev): -6.6192 -6.6192 -6.4100 -6.4100 -5.7734 -5.7734 -5.5861 -5.5861 -5.4903 -5.4903 -4.3074 -4.3074 -3.7508 -3.7508 -3.6497 -3.6497 -3.0120 -3.0120 -1.6251 -1.6251 -1.4889 -1.4889 -1.4559 -1.4559 2.4811 2.4811 2.9282 2.9282 4.0313 4.0313 5.7544 5.7544 6.2957 6.2957 7.1334 7.1334 7.1697 7.1697 9.4483 9.4483 10.6251 10.6251 12.8549 12.8549 13.5567 13.5567 k = 0.3878-0.7112-0.4284 ( 3218 PWs) bands (ev): -6.6244 -6.6244 -6.4097 -6.4097 -5.7748 -5.7748 -5.5857 -5.5857 -5.4886 -5.4886 -4.2824 -4.2824 -3.7490 -3.7490 -3.6355 -3.6355 -2.9975 -2.9975 -1.6254 -1.6254 -1.4896 -1.4896 -1.4533 -1.4533 2.4566 2.4566 2.9352 2.9352 4.0238 4.0238 5.7313 5.7313 6.2579 6.2579 7.0947 7.0947 7.1515 7.1515 9.3819 9.3819 10.6127 10.6127 12.8462 12.8462 13.5402 13.5402 k = 0.3980-0.7299-0.4397 ( 3220 PWs) bands (ev): -6.6292 -6.6292 -6.4094 -6.4094 -5.7762 -5.7762 -5.5853 -5.5853 -5.4871 -5.4871 -4.2598 -4.2598 -3.7475 -3.7475 -3.6204 -3.6204 -2.9845 -2.9845 -1.6258 -1.6258 -1.4904 -1.4904 -1.4509 -1.4509 2.4246 2.4246 2.9464 2.9464 4.0282 4.0282 5.7100 5.7100 6.2143 6.2143 7.0526 7.0526 7.1403 7.1403 9.3217 9.3217 10.6030 10.6030 12.8371 12.8371 13.5252 13.5252 k = 0.4082-0.7486-0.4509 ( 3224 PWs) bands (ev): -6.6336 -6.6336 -6.4092 -6.4092 -5.7774 -5.7774 -5.5849 -5.5849 -5.4857 -5.4857 -4.2395 -4.2395 -3.7463 -3.7463 -3.6047 -3.6047 -2.9732 -2.9732 -1.6262 -1.6262 -1.4915 -1.4915 -1.4487 -1.4487 2.3897 2.3897 2.9573 2.9573 4.0440 4.0440 5.6907 5.6907 6.1650 6.1650 7.0133 7.0133 7.1313 7.1313 9.2679 9.2679 10.5955 10.5955 12.8280 12.8280 13.5118 13.5118 k = 0.4184-0.7673-0.4622 ( 3221 PWs) bands (ev): -6.6376 -6.6376 -6.4090 -6.4090 -5.7784 -5.7784 -5.5846 -5.5846 -5.4844 -5.4844 -4.2217 -4.2217 -3.7453 -3.7453 -3.5889 -3.5889 -2.9634 -2.9634 -1.6266 -1.6266 -1.4926 -1.4926 -1.4467 -1.4467 2.3546 2.3546 2.9658 2.9658 4.0701 4.0701 5.6733 5.6733 6.1107 6.1107 6.9784 6.9784 7.1236 7.1236 9.2202 9.2202 10.5898 10.5898 12.8192 12.8192 13.4999 13.4999 k = 0.4286-0.7861-0.4735 ( 3220 PWs) bands (ev): -6.6412 -6.6412 -6.4088 -6.4088 -5.7793 -5.7793 -5.5843 -5.5843 -5.4833 -5.4833 -4.2063 -4.2063 -3.7445 -3.7445 -3.5734 -3.5734 -2.9552 -2.9552 -1.6271 -1.6271 -1.4939 -1.4939 -1.4448 -1.4448 2.3214 2.3214 2.9709 2.9709 4.1044 4.1044 5.6578 5.6578 6.0528 6.0528 6.9486 6.9486 7.1168 7.1168 9.1786 9.1786 10.5855 10.5855 12.8109 12.8109 13.4895 13.4895 k = 0.4388-0.8048-0.4848 ( 3218 PWs) bands (ev): -6.6443 -6.6443 -6.4087 -6.4087 -5.7801 -5.7801 -5.5840 -5.5840 -5.4823 -5.4823 -4.1932 -4.1932 -3.7438 -3.7438 -3.5587 -3.5587 -2.9483 -2.9483 -1.6275 -1.6275 -1.4951 -1.4951 -1.4432 -1.4432 2.2912 2.2912 2.9730 2.9730 4.1445 4.1445 5.6445 5.6445 5.9932 5.9932 6.9239 6.9239 7.1109 7.1109 9.1430 9.1430 10.5823 10.5823 12.8033 12.8033 13.4804 13.4804 k = 0.4490-0.8235-0.4960 ( 3212 PWs) bands (ev): -6.6469 -6.6469 -6.4085 -6.4085 -5.7807 -5.7807 -5.5837 -5.5837 -5.4815 -5.4815 -4.1823 -4.1823 -3.7432 -3.7432 -3.5452 -3.5452 -2.9429 -2.9429 -1.6279 -1.6279 -1.4963 -1.4963 -1.4418 -1.4418 2.2647 2.2647 2.9728 2.9728 4.1872 4.1872 5.6331 5.6331 5.9346 5.9346 6.9041 6.9041 7.1059 7.1059 9.1131 9.1131 10.5800 10.5800 12.7966 12.7966 13.4728 13.4728 k = 0.4592-0.8422-0.5073 ( 3214 PWs) bands (ev): -6.6491 -6.6491 -6.4084 -6.4084 -5.7813 -5.7813 -5.5835 -5.5835 -5.4808 -5.4808 -4.1735 -4.1735 -3.7428 -3.7428 -3.5334 -3.5334 -2.9386 -2.9386 -1.6282 -1.6282 -1.4973 -1.4973 -1.4407 -1.4407 2.2426 2.2426 2.9712 2.9712 4.2294 4.2294 5.6239 5.6239 5.8797 5.8797 6.8887 6.8887 7.1018 7.1018 9.0889 9.0889 10.5784 10.5784 12.7910 12.7910 13.4665 13.4665 k = 0.4694-0.8609-0.5186 ( 3210 PWs) bands (ev): -6.6508 -6.6508 -6.4083 -6.4083 -5.7817 -5.7817 -5.5834 -5.5834 -5.4802 -5.4802 -4.1668 -4.1668 -3.7425 -3.7425 -3.5237 -3.5237 -2.9354 -2.9354 -1.6285 -1.6285 -1.4982 -1.4982 -1.4398 -1.4398 2.2251 2.2251 2.9689 2.9689 4.2674 4.2674 5.6167 5.6167 5.8319 5.8319 6.8772 6.8772 7.0986 7.0986 9.0702 9.0702 10.5773 10.5773 12.7864 12.7864 13.4616 13.4616 k = 0.4796-0.8796-0.5299 ( 3211 PWs) bands (ev): -6.6521 -6.6521 -6.4083 -6.4083 -5.7820 -5.7820 -5.5832 -5.5832 -5.4798 -5.4798 -4.1621 -4.1621 -3.7423 -3.7423 -3.5165 -3.5165 -2.9333 -2.9333 -1.6287 -1.6287 -1.4989 -1.4989 -1.4391 -1.4391 2.2124 2.2124 2.9668 2.9668 4.2978 4.2978 5.6117 5.6117 5.7945 5.7945 6.8693 6.8693 7.0963 7.0963 9.0569 9.0569 10.5766 10.5766 12.7831 12.7831 13.4581 13.4581 k = 0.4898-0.8983-0.5411 ( 3208 PWs) bands (ev): -6.6528 -6.6528 -6.4082 -6.4082 -5.7821 -5.7821 -5.5832 -5.5832 -5.4796 -5.4796 -4.1593 -4.1593 -3.7422 -3.7422 -3.5121 -3.5121 -2.9320 -2.9320 -1.6288 -1.6288 -1.4993 -1.4993 -1.4387 -1.4387 2.2047 2.2047 2.9653 2.9653 4.3175 4.3175 5.6087 5.6087 5.7706 5.7706 6.8647 6.8647 7.0950 7.0950 9.0490 9.0490 10.5762 10.5762 12.7811 12.7811 13.4560 13.4560 k = 0.5000-0.9171-0.5524 ( 3206 PWs) bands (ev): -6.6530 -6.6530 -6.4082 -6.4082 -5.7822 -5.7822 -5.5831 -5.5831 -5.4795 -5.4795 -4.1584 -4.1584 -3.7421 -3.7421 -3.5106 -3.5106 -2.9316 -2.9316 -1.6289 -1.6289 -1.4994 -1.4994 -1.4386 -1.4386 2.2022 2.2022 2.9648 2.9648 4.3243 4.3243 5.6078 5.6078 5.7624 5.7624 6.8632 6.8632 7.0945 7.0945 9.0463 9.0463 10.5761 10.5761 12.7805 12.7805 13.4553 13.4553 k = 0.5000-0.9171-0.5524 ( 3206 PWs) bands (ev): -6.6530 -6.6530 -6.4082 -6.4082 -5.7822 -5.7822 -5.5831 -5.5831 -5.4795 -5.4795 -4.1584 -4.1584 -3.7421 -3.7421 -3.5106 -3.5106 -2.9316 -2.9316 -1.6289 -1.6289 -1.4994 -1.4994 -1.4386 -1.4386 2.2022 2.2022 2.9648 2.9648 4.3243 4.3243 5.6078 5.6078 5.7624 5.7624 6.8632 6.8632 7.0945 7.0945 9.0463 9.0463 10.5761 10.5761 12.7805 12.7805 13.4553 13.4553 k = 0.5000-0.9044-0.5734 ( 3212 PWs) bands (ev): -6.6528 -6.6528 -6.4084 -6.4084 -5.7821 -5.7821 -5.5836 -5.5836 -5.4797 -5.4797 -4.1572 -4.1572 -3.7421 -3.7421 -3.5103 -3.5103 -2.9318 -2.9318 -1.6287 -1.6287 -1.4994 -1.4994 -1.4387 -1.4387 2.2027 2.2027 2.9658 2.9658 4.3255 4.3255 5.5892 5.5892 5.7761 5.7761 6.8325 6.8325 7.1214 7.1214 9.0531 9.0531 10.5757 10.5757 12.7856 12.7856 13.4440 13.4440 k = 0.5000-0.8918-0.5944 ( 3212 PWs) bands (ev): -6.6522 -6.6522 -6.4090 -6.4090 -5.7820 -5.7820 -5.5848 -5.5848 -5.4800 -5.4800 -4.1537 -4.1537 -3.7422 -3.7422 -3.5094 -3.5094 -2.9323 -2.9323 -1.6281 -1.6281 -1.4995 -1.4995 -1.4389 -1.4389 2.2043 2.2043 2.9688 2.9688 4.3289 4.3289 5.5450 5.5450 5.8061 5.8061 6.7635 6.7635 7.1793 7.1793 9.0732 9.0732 10.5743 10.5743 12.8007 12.8007 13.4105 13.4105 k = 0.5000-0.8792-0.6153 ( 3210 PWs) bands (ev): -6.6510 -6.6510 -6.4100 -6.4100 -5.7818 -5.7818 -5.5869 -5.5869 -5.4806 -5.4806 -4.1479 -4.1479 -3.7424 -3.7424 -3.5079 -3.5079 -2.9333 -2.9333 -1.6271 -1.6271 -1.4995 -1.4995 -1.4393 -1.4393 2.2069 2.2069 2.9738 2.9738 4.3347 4.3347 5.4880 5.4880 5.8400 5.8400 6.6790 6.6790 7.2452 7.2452 9.1060 9.1060 10.5722 10.5722 12.8251 12.8251 13.3565 13.3565 k = 0.5000-0.8665-0.6363 ( 3208 PWs) bands (ev): -6.6495 -6.6495 -6.4114 -6.4114 -5.7814 -5.7814 -5.5897 -5.5897 -5.4813 -5.4813 -4.1400 -4.1400 -3.7425 -3.7425 -3.5058 -3.5058 -2.9347 -2.9347 -1.6257 -1.6257 -1.4996 -1.4996 -1.4397 -1.4397 2.2104 2.2104 2.9807 2.9807 4.3428 4.3428 5.4232 5.4232 5.8735 5.8735 6.5873 6.5873 7.3113 7.3113 9.1505 9.1505 10.5693 10.5693 12.8569 12.8569 13.2854 13.2854 k = 0.5000-0.8539-0.6573 ( 3208 PWs) bands (ev): -6.6475 -6.6475 -6.4132 -6.4132 -5.7810 -5.7810 -5.5934 -5.5934 -5.4822 -5.4822 -4.1300 -4.1300 -3.7428 -3.7428 -3.5030 -3.5030 -2.9365 -2.9365 -1.6240 -1.6240 -1.4997 -1.4997 -1.4403 -1.4403 2.2149 2.2149 2.9896 2.9896 4.3531 4.3531 5.3528 5.3528 5.9053 5.9053 6.4912 6.4912 7.3748 7.3748 9.2053 9.2053 10.5660 10.5660 12.8907 12.8907 13.2051 13.2051 k = 0.5000-0.8413-0.6782 ( 3206 PWs) bands (ev): -6.6451 -6.6451 -6.4154 -6.4154 -5.7805 -5.7805 -5.5977 -5.5977 -5.4832 -5.4832 -4.1181 -4.1181 -3.7431 -3.7431 -3.4995 -3.4995 -2.9387 -2.9387 -1.6218 -1.6218 -1.4998 -1.4998 -1.4411 -1.4411 2.2202 2.2202 3.0003 3.0003 4.3657 4.3657 5.2783 5.2783 5.9351 5.9351 6.3925 6.3925 7.4346 7.4346 9.2690 9.2690 10.5625 10.5625 12.9076 12.9076 13.1372 13.1372 k = 0.5000-0.8286-0.6992 ( 3208 PWs) bands (ev): -6.6423 -6.6423 -6.4180 -6.4180 -5.7798 -5.7798 -5.6027 -5.6027 -5.4842 -5.4842 -4.1045 -4.1045 -3.7435 -3.7435 -3.4953 -3.4953 -2.9414 -2.9414 -1.6194 -1.6194 -1.4999 -1.4999 -1.4419 -1.4419 2.2262 2.2262 3.0128 3.0128 4.3806 4.3806 5.2007 5.2007 5.9626 5.9626 6.2925 6.2925 7.4900 7.4900 9.3396 9.3396 10.5593 10.5593 12.8648 12.8648 13.1269 13.1269 k = 0.5000-0.8160-0.7202 ( 3210 PWs) bands (ev): -6.6391 -6.6391 -6.4210 -6.4210 -5.7791 -5.7791 -5.6084 -5.6084 -5.4853 -5.4853 -4.0894 -4.0894 -3.7440 -3.7440 -3.4903 -3.4903 -2.9446 -2.9446 -1.6165 -1.6165 -1.5001 -1.5001 -1.4429 -1.4429 2.2328 2.2328 3.0270 3.0270 4.3977 4.3977 5.1209 5.1209 5.9864 5.9864 6.1936 6.1936 7.5407 7.5407 9.4150 9.4150 10.5570 10.5570 12.7651 12.7651 13.1740 13.1740 k = 0.5000-0.8034-0.7412 ( 3210 PWs) bands (ev): -6.6355 -6.6355 -6.4243 -6.4243 -5.7782 -5.7782 -5.6145 -5.6145 -5.4863 -5.4863 -4.0730 -4.0730 -3.7447 -3.7447 -3.4844 -3.4844 -2.9483 -2.9483 -1.6134 -1.6134 -1.5003 -1.5003 -1.4439 -1.4439 2.2399 2.2399 3.0429 3.0429 4.4171 4.4171 5.0400 5.0400 5.9975 5.9975 6.1055 6.1055 7.5865 7.5865 9.4928 9.4928 10.5568 10.5568 12.6425 12.6425 13.2458 13.2458 k = 0.5000-0.7907-0.7621 ( 3206 PWs) bands (ev): -6.6316 -6.6316 -6.4280 -6.4280 -5.7772 -5.7772 -5.6211 -5.6211 -5.4873 -5.4873 -4.0556 -4.0556 -3.7454 -3.7454 -3.4775 -3.4775 -2.9526 -2.9526 -1.6099 -1.6099 -1.5006 -1.5006 -1.4450 -1.4450 2.2473 2.2473 3.0601 3.0601 4.4386 4.4386 4.9589 4.9589 5.9517 5.9517 6.0735 6.0735 7.6270 7.6270 9.5703 9.5703 10.5600 10.5600 12.5109 12.5109 13.3283 13.3283 k = 0.5000-0.7781-0.7831 ( 3210 PWs) bands (ev): -6.6274 -6.6274 -6.4321 -6.4321 -5.7761 -5.7761 -5.6281 -5.6281 -5.4882 -5.4882 -4.0373 -4.0373 -3.7463 -3.7463 -3.4697 -3.4697 -2.9575 -2.9575 -1.6062 -1.6062 -1.5009 -1.5009 -1.4462 -1.4462 2.2549 2.2549 3.0788 3.0788 4.4621 4.4621 4.8786 4.8786 5.8597 5.8597 6.0875 6.0875 7.6622 7.6622 9.6443 9.6443 10.5684 10.5684 12.3759 12.3759 13.4108 13.4108 k = 0.5000-0.7655-0.8041 ( 3208 PWs) bands (ev): -6.6228 -6.6228 -6.4365 -6.4365 -5.7749 -5.7749 -5.6352 -5.6352 -5.4890 -5.4890 -4.0185 -4.0185 -3.7474 -3.7474 -3.4607 -3.4607 -2.9630 -2.9630 -1.6021 -1.6021 -1.5013 -1.5013 -1.4474 -1.4474 2.2623 2.2623 3.0985 3.0985 4.4877 4.4877 4.8000 4.8000 5.7604 5.7604 6.1093 6.1093 7.6917 7.6917 9.7114 9.7114 10.5845 10.5845 12.2405 12.2405 13.4570 13.4570 k = 0.5000-0.7528-0.8251 ( 3216 PWs) bands (ev): -6.6180 -6.6180 -6.4413 -6.4413 -5.7735 -5.7735 -5.6426 -5.6426 -5.4898 -5.4898 -3.9995 -3.9995 -3.7486 -3.7486 -3.4505 -3.4505 -2.9692 -2.9692 -1.5979 -1.5979 -1.5017 -1.5017 -1.4487 -1.4487 2.2695 2.2695 3.1191 3.1191 4.5150 4.5150 4.7241 4.7241 5.6607 5.6607 6.1329 6.1329 7.7155 7.7155 9.7680 9.7680 10.6105 10.6105 12.1071 12.1071 13.4206 13.4206 k = 0.5000-0.7402-0.8460 ( 3222 PWs) bands (ev): -6.6129 -6.6129 -6.4464 -6.4464 -5.7719 -5.7719 -5.6501 -5.6501 -5.4906 -5.4906 -3.9804 -3.9804 -3.7500 -3.7500 -3.4391 -3.4391 -2.9762 -2.9762 -1.5935 -1.5935 -1.5022 -1.5022 -1.4501 -1.4501 2.2761 2.2761 3.1404 3.1404 4.5428 4.5428 4.6529 4.6529 5.5625 5.5625 6.1568 6.1568 7.7332 7.7332 9.8111 9.8111 10.6483 10.6483 11.9776 11.9776 13.3540 13.3540 k = 0.5000-0.7276-0.8670 ( 3220 PWs) bands (ev): -6.6076 -6.6076 -6.4518 -6.4518 -5.7702 -5.7702 -5.6575 -5.6575 -5.4912 -5.4912 -3.9615 -3.9615 -3.7516 -3.7516 -3.4263 -3.4263 -2.9840 -2.9840 -1.5889 -1.5889 -1.5027 -1.5027 -1.4514 -1.4514 2.2821 2.2821 3.1619 3.1619 4.5574 4.5574 4.6008 4.6008 5.4669 5.4669 6.1807 6.1807 7.7447 7.7447 9.8392 9.8392 10.6982 10.6982 11.8539 11.8539 13.2843 13.2843 k = 0.5000-0.7149-0.8880 ( 3218 PWs) bands (ev): -6.6020 -6.6020 -6.4574 -6.4574 -5.7683 -5.7683 -5.6648 -5.6648 -5.4917 -5.4917 -3.9431 -3.9431 -3.7534 -3.7534 -3.4122 -3.4122 -2.9926 -2.9926 -1.5842 -1.5842 -1.5033 -1.5033 -1.4528 -1.4528 2.2871 2.2871 3.1833 3.1833 4.5098 4.5098 4.6174 4.6174 5.3750 5.3750 6.2043 6.2043 7.7497 7.7497 9.8526 9.8526 10.7583 10.7583 11.7384 11.7384 13.2172 13.2172 k = 0.5000-0.7023-0.9089 ( 3212 PWs) bands (ev): -6.5963 -6.5963 -6.4632 -6.4632 -5.7663 -5.7663 -5.6720 -5.6720 -5.4922 -5.4922 -3.9253 -3.9253 -3.7555 -3.7555 -3.3967 -3.3967 -3.0021 -3.0021 -1.5795 -1.5795 -1.5040 -1.5040 -1.4541 -1.4541 2.2909 2.2909 3.2042 3.2042 4.4526 4.4526 4.6504 4.6504 5.2878 5.2878 6.2275 6.2275 7.7478 7.7478 9.8529 9.8529 10.8246 10.8246 11.6342 11.6342 13.1546 13.1546 k = 0.5000-0.6897-0.9299 ( 3208 PWs) bands (ev): -6.5905 -6.5905 -6.4693 -6.4693 -5.7640 -5.7640 -5.6791 -5.6791 -5.4925 -5.4925 -3.9083 -3.9083 -3.7579 -3.7579 -3.3798 -3.3798 -3.0125 -3.0125 -1.5747 -1.5747 -1.5046 -1.5046 -1.4555 -1.4555 2.2934 2.2934 3.2239 3.2239 4.3999 4.3999 4.6858 4.6858 5.2066 5.2066 6.2500 6.2500 7.7388 7.7388 9.8425 9.8425 10.8903 10.8903 11.5463 11.5463 13.0971 13.0971 k = 0.5000-0.6770-0.9509 ( 3212 PWs) bands (ev): -6.5845 -6.5845 -6.4755 -6.4755 -5.7616 -5.7616 -5.6859 -5.6859 -5.4929 -5.4929 -3.8923 -3.8923 -3.7605 -3.7605 -3.3617 -3.3617 -3.0240 -3.0240 -1.5700 -1.5700 -1.5053 -1.5053 -1.4570 -1.4570 2.2946 2.2946 3.2418 3.2418 4.3533 4.3533 4.7217 4.7217 5.1331 5.1331 6.2717 6.2717 7.7225 7.7225 9.8240 9.8240 10.9450 10.9450 11.4833 11.4833 13.0453 13.0453 k = 0.5000-0.6644-0.9719 ( 3214 PWs) bands (ev): -6.5785 -6.5785 -6.4819 -6.4819 -5.7591 -5.7591 -5.6924 -5.6924 -5.4932 -5.4932 -3.8774 -3.8774 -3.7634 -3.7634 -3.3423 -3.3423 -3.0365 -3.0365 -1.5654 -1.5654 -1.5059 -1.5059 -1.4584 -1.4584 2.2942 2.2942 3.2573 3.2573 4.3134 4.3134 4.7562 4.7562 5.0700 5.0700 6.2923 6.2923 7.6987 7.6987 9.7997 9.7997 10.9751 10.9751 11.4574 11.4574 12.9993 12.9993 k = 0.5000-0.6518-0.9928 ( 3218 PWs) bands (ev): -6.5725 -6.5725 -6.4883 -6.4883 -5.7564 -5.7564 -5.6986 -5.6986 -5.4934 -5.4934 -3.8635 -3.8635 -3.7666 -3.7666 -3.3218 -3.3218 -3.0501 -3.0501 -1.5611 -1.5611 -1.5065 -1.5065 -1.4598 -1.4598 2.2924 2.2924 3.2695 3.2695 4.2805 4.2805 4.7851 4.7851 5.0222 5.0222 6.3115 6.3115 7.6672 7.6672 9.7716 9.7716 10.9718 10.9718 11.4759 11.4759 12.9593 12.9593 k = 0.5000-0.6391-1.0138 ( 3216 PWs) bands (ev): -6.5664 -6.5664 -6.4947 -6.4947 -5.7535 -5.7535 -5.7045 -5.7045 -5.4936 -5.4936 -3.8508 -3.8508 -3.7702 -3.7702 -3.3004 -3.3004 -3.0647 -3.0647 -1.5571 -1.5571 -1.5069 -1.5069 -1.4612 -1.4612 2.2892 2.2892 3.2776 3.2776 4.2549 4.2549 4.8012 4.8012 4.9980 4.9980 6.3291 6.3291 7.6282 7.6282 9.7412 9.7412 10.9424 10.9424 11.5306 11.5306 12.9254 12.9254 k = 0.5000-0.6265-1.0348 ( 3216 PWs) bands (ev): -6.5603 -6.5603 -6.5011 -6.5011 -5.7505 -5.7505 -5.7100 -5.7100 -5.4937 -5.4937 -3.8393 -3.8393 -3.7741 -3.7741 -3.2784 -3.2784 -3.0805 -3.0805 -1.5535 -1.5535 -1.5071 -1.5071 -1.4626 -1.4626 2.2848 2.2848 3.2811 3.2811 4.2366 4.2366 4.7989 4.7989 5.0037 5.0037 6.3448 6.3448 7.5817 7.5817 9.7099 9.7099 10.9006 10.9006 11.6064 11.6064 12.8977 12.8977 k = 0.5000-0.6139-1.0558 ( 3210 PWs) bands (ev): -6.5544 -6.5544 -6.5073 -6.5073 -5.7474 -5.7474 -5.7150 -5.7150 -5.4938 -5.4938 -3.8288 -3.8288 -3.7784 -3.7784 -3.2560 -3.2560 -3.0974 -3.0974 -1.5505 -1.5505 -1.5071 -1.5071 -1.4639 -1.4639 2.2795 2.2795 3.2792 3.2792 4.2256 4.2256 4.7855 4.7855 5.0328 5.0328 6.3584 6.3584 7.5280 7.5280 9.6790 9.6790 10.8564 10.8564 11.6926 11.6926 12.8764 12.8764 k = 0.5000-0.6012-1.0767 ( 3214 PWs) bands (ev): -6.5487 -6.5487 -6.5134 -6.5134 -5.7444 -5.7444 -5.7196 -5.7196 -5.4939 -5.4939 -3.8195 -3.8195 -3.7831 -3.7831 -3.2337 -3.2337 -3.1151 -3.1151 -1.5482 -1.5482 -1.5068 -1.5068 -1.4653 -1.4653 2.2737 2.2737 3.2715 3.2715 4.2218 4.2218 4.7719 4.7719 5.0749 5.0749 6.3694 6.3694 7.4676 7.4676 9.6495 9.6495 10.8148 10.8148 11.7829 11.7829 12.8618 12.8618 k = 0.5000-0.5886-1.0977 ( 3210 PWs) bands (ev): -6.5435 -6.5435 -6.5187 -6.5187 -5.7415 -5.7415 -5.7235 -5.7235 -5.4939 -5.4939 -3.8113 -3.8113 -3.7880 -3.7880 -3.2122 -3.2122 -3.1331 -3.1331 -1.5467 -1.5467 -1.5062 -1.5062 -1.4665 -1.4665 2.2678 2.2678 3.2580 3.2580 4.2247 4.2247 4.7640 4.7640 5.1240 5.1240 6.3778 6.3778 7.4011 7.4011 9.6222 9.6222 10.7782 10.7782 11.8734 11.8734 12.8544 12.8544 k = 0.5000-0.5760-1.1187 ( 3212 PWs) bands (ev): -6.5398 -6.5398 -6.5226 -6.5226 -5.7395 -5.7395 -5.7260 -5.7260 -5.4939 -5.4939 -3.8048 -3.8048 -3.7927 -3.7927 -3.1946 -3.1946 -3.1488 -3.1488 -1.5459 -1.5459 -1.5053 -1.5053 -1.4676 -1.4676 2.2623 2.2623 3.2389 3.2389 4.2342 4.2342 4.7644 4.7644 5.1775 5.1775 6.3831 6.3831 7.3291 7.3291 9.5979 9.5979 10.7476 10.7476 11.9616 11.9616 12.8550 12.8550 k = 0.5000-0.5633-1.1396 ( 3216 PWs) bands (ev): -6.5395 -6.5395 -6.5229 -6.5229 -5.7393 -5.7393 -5.7263 -5.7263 -5.4940 -5.4940 -3.8041 -3.8041 -3.7930 -3.7930 -3.1928 -3.1928 -3.1503 -3.1503 -1.5460 -1.5460 -1.5043 -1.5043 -1.4685 -1.4685 2.2575 2.2575 3.2147 3.2147 4.2498 4.2498 4.7736 4.7736 5.2344 5.2344 6.3853 6.3853 7.2525 7.2525 9.5771 9.5771 10.7236 10.7236 12.0452 12.0452 12.8645 12.8645 k = 0.5000-0.5507-1.1606 ( 3216 PWs) bands (ev): -6.5427 -6.5427 -6.5196 -6.5196 -5.7410 -5.7410 -5.7242 -5.7242 -5.4939 -5.4939 -3.8097 -3.8097 -3.7885 -3.7885 -3.2096 -3.2096 -3.1351 -3.1351 -1.5467 -1.5467 -1.5034 -1.5034 -1.4691 -1.4691 2.2541 2.2541 3.1861 3.1861 4.2710 4.2710 4.7915 4.7915 5.2938 5.2938 6.3842 6.3842 7.1723 7.1723 9.5603 9.5603 10.7061 10.7061 12.1223 12.1223 12.8840 12.8840 k = 0.5000-0.5381-1.1816 ( 3210 PWs) bands (ev): -6.5472 -6.5472 -6.5149 -6.5149 -5.7435 -5.7435 -5.7209 -5.7209 -5.4939 -5.4939 -3.8172 -3.8172 -3.7835 -3.7835 -3.2319 -3.2319 -3.1164 -3.1164 -1.5480 -1.5480 -1.5026 -1.5026 -1.4694 -1.4694 2.2524 2.2524 3.1541 3.1541 4.2973 4.2973 4.8174 4.8174 5.3555 5.3555 6.3796 6.3796 7.0893 7.0893 9.5480 9.5480 10.6949 10.6949 12.1913 12.1913 12.9143 12.9143 k = 0.8186-0.4569-1.0281 ( 3210 PWs) bands (ev): -6.5472 -6.5472 -6.5149 -6.5149 -5.7435 -5.7435 -5.7209 -5.7209 -5.4939 -5.4939 -3.8172 -3.8172 -3.7835 -3.7835 -3.2319 -3.2319 -3.1164 -3.1164 -1.5480 -1.5480 -1.5026 -1.5026 -1.4694 -1.4694 2.2524 2.2524 3.1541 3.1541 4.2973 4.2973 4.8174 4.8174 5.3555 5.3555 6.3796 6.3796 7.0893 7.0893 9.5480 9.5480 10.6949 10.6949 12.1913 12.1913 12.9143 12.9143 k = 0.8126-0.4458-1.0072 ( 3224 PWs) bands (ev): -6.5519 -6.5519 -6.5099 -6.5099 -5.7462 -5.7462 -5.7171 -5.7171 -5.4940 -5.4940 -3.8257 -3.8257 -3.7790 -3.7790 -3.2561 -3.2561 -3.0980 -3.0980 -1.5498 -1.5498 -1.5022 -1.5022 -1.4694 -1.4694 2.2529 2.2529 3.1197 3.1197 4.3281 4.3281 4.8503 4.8503 5.4188 5.4188 6.3717 6.3717 7.0051 7.0051 9.5405 9.5405 10.6896 10.6896 12.2508 12.2508 12.9558 12.9558 k = 0.8066-0.4348-0.9864 ( 3228 PWs) bands (ev): -6.5564 -6.5564 -6.5048 -6.5048 -5.7488 -5.7488 -5.7130 -5.7130 -5.4940 -5.4940 -3.8353 -3.8353 -3.7749 -3.7749 -3.2814 -3.2814 -3.0806 -3.0806 -1.5520 -1.5520 -1.5022 -1.5022 -1.4690 -1.4690 2.2559 2.2559 3.0837 3.0837 4.3630 4.3630 4.8892 4.8892 5.4837 5.4837 6.3604 6.3604 6.9203 6.9203 9.5378 9.5378 10.6897 10.6897 12.3011 12.3011 13.0083 13.0083 k = 0.8005-0.4238-0.9655 ( 3224 PWs) bands (ev): -6.5607 -6.5607 -6.4997 -6.4997 -5.7511 -5.7511 -5.7087 -5.7087 -5.4940 -5.4940 -3.8460 -3.8460 -3.7712 -3.7712 -3.3074 -3.3074 -3.0648 -3.0648 -1.5545 -1.5545 -1.5027 -1.5027 -1.4682 -1.4682 2.2618 2.2618 3.0469 3.0469 4.4016 4.4016 4.9333 4.9333 5.5502 5.5502 6.3458 6.3458 6.8361 6.8361 9.5402 9.5402 10.6949 10.6949 12.3430 12.3430 13.0706 13.0706 k = 0.7945-0.4128-0.9447 ( 3226 PWs) bands (ev): -6.5647 -6.5647 -6.4947 -6.4947 -5.7533 -5.7533 -5.7044 -5.7044 -5.4941 -5.4941 -3.8581 -3.8581 -3.7680 -3.7680 -3.3340 -3.3340 -3.0507 -3.0507 -1.5574 -1.5574 -1.5035 -1.5035 -1.4673 -1.4673 2.2708 2.2708 3.0100 3.0100 4.4432 4.4432 4.9815 4.9815 5.6178 5.6178 6.3282 6.3282 6.7538 6.7538 9.5476 9.5476 10.7046 10.7046 12.3779 12.3779 13.1409 13.1409 k = 0.7885-0.4017-0.9238 ( 3228 PWs) bands (ev): -6.5683 -6.5683 -6.4898 -6.4898 -5.7553 -5.7553 -5.6999 -5.6999 -5.4942 -5.4942 -3.8716 -3.8716 -3.7652 -3.7652 -3.3607 -3.3607 -3.0386 -3.0386 -1.5604 -1.5604 -1.5047 -1.5047 -1.4662 -1.4662 2.2832 2.2832 2.9737 2.9737 4.4873 4.4873 5.0328 5.0328 5.6861 5.6861 6.3077 6.3077 6.6749 6.6749 9.5600 9.5600 10.7185 10.7185 12.4075 12.4075 13.2170 13.2170 k = 0.7825-0.3907-0.9030 ( 3226 PWs) bands (ev): -6.5714 -6.5714 -6.4851 -6.4851 -5.7570 -5.7570 -5.6954 -5.6954 -5.4943 -5.4943 -3.8867 -3.8867 -3.7628 -3.7628 -3.3873 -3.3873 -3.0287 -3.0287 -1.5637 -1.5637 -1.5061 -1.5061 -1.4651 -1.4651 2.2992 2.2992 2.9383 2.9383 4.5334 4.5334 5.0861 5.0861 5.7544 5.7544 6.2847 6.2847 6.6011 6.6011 9.5773 9.5773 10.7360 10.7360 12.4336 12.4336 13.2967 13.2967 k = 0.7765-0.3797-0.8821 ( 3220 PWs) bands (ev): -6.5741 -6.5741 -6.4806 -6.4806 -5.7584 -5.7584 -5.6909 -5.6909 -5.4945 -5.4945 -3.9037 -3.9037 -3.7607 -3.7607 -3.4136 -3.4136 -3.0212 -3.0212 -1.5671 -1.5671 -1.5077 -1.5077 -1.4641 -1.4641 2.3188 2.3188 2.9043 2.9043 4.5810 4.5810 5.1405 5.1405 5.8216 5.8216 6.2598 6.2598 6.5348 6.5348 9.5993 9.5993 10.7570 10.7570 12.4575 12.4575 13.3779 13.3779 k = 0.7705-0.3687-0.8613 ( 3220 PWs) bands (ev): -6.5764 -6.5764 -6.4763 -6.4763 -5.7597 -5.7597 -5.6863 -5.6863 -5.4948 -5.4948 -3.9227 -3.9227 -3.7589 -3.7589 -3.4391 -3.4391 -3.0161 -3.0161 -1.5706 -1.5706 -1.5093 -1.5093 -1.4632 -1.4632 2.3420 2.3420 2.8720 2.8720 4.6294 4.6294 5.1946 5.1946 5.8856 5.8856 6.2338 6.2338 6.4788 6.4788 9.6258 9.6258 10.7809 10.7809 12.4805 12.4805 13.4584 13.4584 k = 0.7645-0.3576-0.8404 ( 3222 PWs) bands (ev): -6.5783 -6.5783 -6.4721 -6.4721 -5.7607 -5.7607 -5.6818 -5.6818 -5.4951 -5.4951 -3.9439 -3.9439 -3.7574 -3.7574 -3.4636 -3.4636 -3.0137 -3.0137 -1.5741 -1.5741 -1.5110 -1.5110 -1.4625 -1.4625 2.3690 2.3690 2.8414 2.8414 4.6780 4.6780 5.2470 5.2470 5.9430 5.9430 6.2090 6.2090 6.4368 6.4368 9.6565 9.6565 10.8075 10.8075 12.5034 12.5034 13.5362 13.5362 k = 0.7585-0.3466-0.8196 ( 3218 PWs) bands (ev): -6.5796 -6.5796 -6.4681 -6.4681 -5.7615 -5.7615 -5.6773 -5.6773 -5.4954 -5.4954 -3.9675 -3.9675 -3.7562 -3.7562 -3.4869 -3.4869 -3.0139 -3.0139 -1.5777 -1.5777 -1.5127 -1.5127 -1.4621 -1.4621 2.3997 2.3997 2.8128 2.8128 4.7261 4.7261 5.2961 5.2961 5.9878 5.9878 6.1890 6.1890 6.4136 6.4136 9.6911 9.6911 10.8367 10.8367 12.5270 12.5270 13.6085 13.6085 k = 0.7525-0.3356-0.7987 ( 3216 PWs) bands (ev): -6.5804 -6.5804 -6.4643 -6.4643 -5.7621 -5.7621 -5.6729 -5.6729 -5.4959 -5.4959 -3.9935 -3.9935 -3.7552 -3.7552 -3.5088 -3.5088 -3.0169 -3.0169 -1.5813 -1.5813 -1.5143 -1.5143 -1.4619 -1.4619 2.4340 2.4340 2.7860 2.7860 4.7730 4.7730 5.3397 5.3397 6.0142 6.0142 6.1775 6.1775 6.4143 6.4143 9.7294 9.7294 10.8680 10.8680 12.5519 12.5519 13.6725 13.6725 k = 0.7464-0.3246-0.7779 ( 3218 PWs) bands (ev): -6.5808 -6.5808 -6.4607 -6.4607 -5.7625 -5.7625 -5.6685 -5.6685 -5.4964 -5.4964 -4.0218 -4.0218 -3.7544 -3.7544 -3.5291 -3.5291 -3.0226 -3.0226 -1.5849 -1.5849 -1.5159 -1.5159 -1.4619 -1.4619 2.4717 2.4717 2.7609 2.7609 4.8179 4.8179 5.3758 5.3758 6.0243 6.0243 6.1729 6.1729 6.4414 6.4414 9.7709 9.7709 10.9015 10.9015 12.5786 12.5786 13.7245 13.7245 k = 0.7404-0.3135-0.7571 ( 3214 PWs) bands (ev): -6.5806 -6.5806 -6.4573 -6.4573 -5.7627 -5.7627 -5.6641 -5.6641 -5.4970 -5.4970 -4.0525 -4.0525 -3.7538 -3.7538 -3.5477 -3.5477 -3.0311 -3.0311 -1.5884 -1.5884 -1.5173 -1.5173 -1.4623 -1.4623 2.5128 2.5128 2.7376 2.7376 4.8600 4.8600 5.4021 5.4021 6.0293 6.0293 6.1711 6.1711 6.4911 6.4911 9.8154 9.8154 10.9369 10.9369 12.6074 12.6074 13.7607 13.7607 k = 0.7344-0.3025-0.7362 ( 3216 PWs) bands (ev): -6.5800 -6.5800 -6.4540 -6.4540 -5.7626 -5.7626 -5.6599 -5.6599 -5.4977 -5.4977 -4.0855 -4.0855 -3.7535 -3.7535 -3.5647 -3.5647 -3.0423 -3.0423 -1.5918 -1.5918 -1.5186 -1.5186 -1.4630 -1.4630 2.5569 2.5569 2.7156 2.7156 4.8986 4.8986 5.4177 5.4177 6.0390 6.0390 6.1717 6.1717 6.5561 6.5561 9.8626 9.8626 10.9742 10.9742 12.6385 12.6385 13.7776 13.7776 k = 0.7284-0.2915-0.7154 ( 3218 PWs) bands (ev): -6.5789 -6.5789 -6.4510 -6.4510 -5.7624 -5.7624 -5.6557 -5.6557 -5.4985 -5.4985 -4.1204 -4.1204 -3.7533 -3.7533 -3.5801 -3.5801 -3.0561 -3.0561 -1.5951 -1.5951 -1.5198 -1.5198 -1.4640 -1.4640 2.6038 2.6038 2.6949 2.6949 4.9330 4.9330 5.4230 5.4230 6.0577 6.0577 6.1763 6.1763 6.6306 6.6306 9.9122 9.9122 11.0133 11.0133 12.6722 12.6722 13.7738 13.7738 k = 0.7224-0.2805-0.6945 ( 3220 PWs) bands (ev): -6.5773 -6.5773 -6.4481 -6.4481 -5.7619 -5.7619 -5.6517 -5.6517 -5.4994 -5.4994 -4.1571 -4.1571 -3.7532 -3.7532 -3.5940 -3.5940 -3.0726 -3.0726 -1.5983 -1.5983 -1.5209 -1.5209 -1.4653 -1.4653 2.6529 2.6529 2.6754 2.6754 4.9628 4.9628 5.4202 5.4202 6.0856 6.0856 6.1871 6.1871 6.7109 6.7109 9.9640 9.9640 11.0542 11.0542 12.7085 12.7085 13.7502 13.7502 k = 0.7164-0.2694-0.6737 ( 3220 PWs) bands (ev): -6.5753 -6.5753 -6.4454 -6.4454 -5.7611 -5.7611 -5.6477 -5.6477 -5.5004 -5.5004 -4.1953 -4.1953 -3.7534 -3.7534 -3.6066 -3.6066 -3.0915 -3.0915 -1.6013 -1.6013 -1.5218 -1.5218 -1.4668 -1.4668 2.6555 2.6555 2.7053 2.7053 4.9878 4.9878 5.4124 5.4124 6.1207 6.1207 6.2056 6.2056 6.7948 6.7948 10.0177 10.0177 11.0971 11.0971 12.7471 12.7471 13.7100 13.7100 k = 0.7104-0.2584-0.6528 ( 3220 PWs) bands (ev): -6.5728 -6.5728 -6.4429 -6.4429 -5.7602 -5.7602 -5.6439 -5.6439 -5.5015 -5.5015 -4.2347 -4.2347 -3.7537 -3.7537 -3.6179 -3.6179 -3.1128 -3.1128 -1.6042 -1.6042 -1.5226 -1.5226 -1.4687 -1.4687 2.6367 2.6367 2.7587 2.7587 5.0081 5.0081 5.4027 5.4027 6.1600 6.1600 6.2331 6.2331 6.8810 6.8810 10.0733 10.0733 11.1418 11.1418 12.7875 12.7875 13.6574 13.6574 k = 0.7044-0.2474-0.6320 ( 3228 PWs) bands (ev): -6.5699 -6.5699 -6.4406 -6.4406 -5.7591 -5.7591 -5.6402 -5.6402 -5.5027 -5.5027 -4.2750 -4.2750 -3.7541 -3.7541 -3.6281 -3.6281 -3.1363 -3.1363 -1.6069 -1.6069 -1.5233 -1.5233 -1.4708 -1.4708 2.6177 2.6177 2.8136 2.8136 5.0241 5.0241 5.3936 5.3936 6.2015 6.2015 6.2696 6.2696 6.9683 6.9683 10.1305 10.1305 11.1885 11.1885 12.8288 12.8288 13.5973 13.5973 k = 0.6984-0.2364-0.6111 ( 3218 PWs) bands (ev): -6.5665 -6.5665 -6.4384 -6.4384 -5.7576 -5.7576 -5.6365 -5.6365 -5.5040 -5.5040 -4.3161 -4.3161 -3.7546 -3.7546 -3.6374 -3.6374 -3.1618 -3.1618 -1.6094 -1.6094 -1.5238 -1.5238 -1.4731 -1.4731 2.5985 2.5985 2.8693 2.8693 5.0367 5.0367 5.3871 5.3871 6.2446 6.2446 6.3137 6.3137 7.0562 7.0562 10.1892 10.1892 11.2373 11.2373 12.8690 12.8690 13.5345 13.5345 k = 0.6923-0.2253-0.5903 ( 3220 PWs) bands (ev): -6.5628 -6.5628 -6.4364 -6.4364 -5.7560 -5.7560 -5.6331 -5.6331 -5.5054 -5.5054 -4.3575 -4.3575 -3.7553 -3.7553 -3.6460 -3.6460 -3.1891 -3.1891 -1.6119 -1.6119 -1.5242 -1.5242 -1.4757 -1.4757 2.5787 2.5787 2.9254 2.9254 5.0469 5.0469 5.3848 5.3848 6.2899 6.2899 6.3629 6.3629 7.1440 7.1440 10.2494 10.2494 11.2881 11.2881 12.9042 12.9042 13.4751 13.4751 k = 0.6863-0.2143-0.5694 ( 3220 PWs) bands (ev): -6.5587 -6.5587 -6.4346 -6.4346 -5.7542 -5.7542 -5.6297 -5.6297 -5.5070 -5.5070 -4.3991 -4.3991 -3.7561 -3.7561 -3.6538 -3.6538 -3.2181 -3.2181 -1.6141 -1.6141 -1.5245 -1.5245 -1.4785 -1.4785 2.5581 2.5581 2.9812 2.9812 5.0560 5.0560 5.3876 5.3876 6.3381 6.3381 6.4149 6.4149 7.2312 7.2312 10.3110 10.3110 11.3411 11.3411 12.9282 12.9282 13.4274 13.4274 k = 0.6803-0.2033-0.5486 ( 3220 PWs) bands (ev): -6.5543 -6.5543 -6.4329 -6.4329 -5.7520 -5.7520 -5.6265 -5.6265 -5.5086 -5.5086 -4.4407 -4.4407 -3.7570 -3.7570 -3.6612 -3.6612 -3.2486 -3.2486 -1.6163 -1.6163 -1.5246 -1.5246 -1.4815 -1.4815 2.5367 2.5367 3.0361 3.0361 5.0652 5.0652 5.3962 5.3962 6.3891 6.3891 6.4682 6.4682 7.3173 7.3173 10.3740 10.3740 11.3962 11.3962 12.9317 12.9317 13.4018 13.4018 k = 0.6743-0.1923-0.5278 ( 3226 PWs) bands (ev): -6.5496 -6.5496 -6.4314 -6.4314 -5.7497 -5.7497 -5.6234 -5.6234 -5.5103 -5.5103 -4.4820 -4.4820 -3.7580 -3.7580 -3.6682 -3.6682 -3.2803 -3.2803 -1.6183 -1.6183 -1.5247 -1.5247 -1.4845 -1.4845 2.5142 2.5142 3.0893 3.0893 5.0760 5.0760 5.4111 5.4111 6.4425 6.4425 6.5217 6.5217 7.4017 7.4017 10.4383 10.4383 11.4530 11.4530 12.9086 12.9086 13.4060 13.4060 k = 0.6683-0.1812-0.5069 ( 3228 PWs) bands (ev): -6.5446 -6.5446 -6.4300 -6.4300 -5.7471 -5.7471 -5.6204 -5.6204 -5.5122 -5.5122 -4.5229 -4.5229 -3.7591 -3.7591 -3.6749 -3.6749 -3.3130 -3.3130 -1.6202 -1.6202 -1.5247 -1.5247 -1.4877 -1.4877 2.4906 2.4906 3.1403 3.1403 5.0896 5.0896 5.4325 5.4325 6.4978 6.4978 6.5747 6.5747 7.4842 7.4842 10.5038 10.5038 11.5113 11.5113 12.8615 12.8615 13.4384 13.4384 k = 0.6623-0.1702-0.4861 ( 3226 PWs) bands (ev): -6.5394 -6.5394 -6.4288 -6.4288 -5.7443 -5.7443 -5.6175 -5.6175 -5.5142 -5.5142 -4.5631 -4.5631 -3.7603 -3.7603 -3.6815 -3.6815 -3.3463 -3.3463 -1.6220 -1.6220 -1.5247 -1.5247 -1.4909 -1.4909 2.4660 2.4660 3.1882 3.1882 5.1073 5.1073 5.4604 5.4604 6.5544 6.5544 6.6268 6.6268 7.5643 7.5643 10.5704 10.5704 11.5703 11.5703 12.7994 12.7994 13.4910 13.4910 k = 0.6563-0.1592-0.4652 ( 3226 PWs) bands (ev): -6.5340 -6.5340 -6.4277 -6.4277 -5.7412 -5.7412 -5.6148 -5.6148 -5.5163 -5.5163 -4.6026 -4.6026 -3.7615 -3.7615 -3.6881 -3.6881 -3.3800 -3.3800 -1.6238 -1.6238 -1.5246 -1.5246 -1.4941 -1.4941 2.4404 2.4404 3.2325 3.2325 5.1301 5.1301 5.4948 5.4948 6.6115 6.6115 6.6777 6.6777 7.6416 7.6416 10.6379 10.6379 11.6285 11.6285 12.7314 12.7314 13.5531 13.5531 k = 0.6503-0.1482-0.4444 ( 3218 PWs) bands (ev): -6.5285 -6.5285 -6.4267 -6.4267 -5.7378 -5.7378 -5.6121 -5.6121 -5.5184 -5.5184 -4.6411 -4.6411 -3.7629 -3.7629 -3.6950 -3.6950 -3.4138 -3.4138 -1.6254 -1.6254 -1.5247 -1.5247 -1.4972 -1.4972 2.4139 2.4139 3.2725 3.2725 5.1589 5.1589 5.5355 5.5355 6.6687 6.6687 6.7271 6.7271 7.7158 7.7158 10.7057 10.7057 11.6840 11.6840 12.6646 12.6646 13.5374 13.5374 k = 0.6443-0.1371-0.4235 ( 3212 PWs) bands (ev): -6.5228 -6.5228 -6.4258 -6.4258 -5.7342 -5.7342 -5.6095 -5.6095 -5.5207 -5.5207 -4.6786 -4.6786 -3.7644 -3.7644 -3.7024 -3.7024 -3.4472 -3.4472 -1.6271 -1.6271 -1.5248 -1.5248 -1.5000 -1.5000 2.3867 2.3867 3.3078 3.3078 5.1946 5.1946 5.5823 5.5823 6.7254 6.7254 6.7748 6.7748 7.7867 7.7867 10.7732 10.7732 11.7334 11.7334 12.6059 12.6059 13.4592 13.4592 k = 0.6382-0.1261-0.4027 ( 3212 PWs) bands (ev): -6.5171 -6.5171 -6.4251 -6.4251 -5.7304 -5.7304 -5.6070 -5.6070 -5.5231 -5.5231 -4.7149 -4.7149 -3.7661 -3.7661 -3.7106 -3.7106 -3.4797 -3.4797 -1.6287 -1.6287 -1.5252 -1.5252 -1.5026 -1.5026 2.3589 2.3589 3.3381 3.3381 5.2375 5.2375 5.6348 5.6348 6.7812 6.7812 6.8206 6.8206 7.8540 7.8540 10.8391 10.8391 11.7723 11.7723 12.5627 12.5627 13.3776 13.3776 k = 0.6322-0.1151-0.3818 ( 3218 PWs) bands (ev): -6.5114 -6.5114 -6.4246 -6.4246 -5.7265 -5.7265 -5.6047 -5.6047 -5.5256 -5.5256 -4.7499 -4.7499 -3.7680 -3.7680 -3.7199 -3.7199 -3.5108 -3.5108 -1.6303 -1.6303 -1.5259 -1.5259 -1.5047 -1.5047 2.3306 2.3306 3.3632 3.3632 5.2879 5.2879 5.6926 5.6926 6.8355 6.8355 6.8646 6.8646 7.9175 7.9175 10.9013 10.9013 11.7966 11.7966 12.5422 12.5422 13.2949 13.2949 k = 0.6262-0.1041-0.3610 ( 3216 PWs) bands (ev): -6.5057 -6.5057 -6.4241 -6.4241 -5.7223 -5.7223 -5.6023 -5.6023 -5.5282 -5.5282 -4.7835 -4.7835 -3.7704 -3.7704 -3.7306 -3.7306 -3.5397 -3.5397 -1.6318 -1.6318 -1.5271 -1.5271 -1.5062 -1.5062 2.3022 2.3022 3.3833 3.3833 5.3459 5.3459 5.7554 5.7554 6.8881 6.8881 6.9065 6.9065 7.9772 7.9772 10.9564 10.9564 11.8052 11.8052 12.5492 12.5492 13.2117 13.2117 k = 0.6202-0.0930-0.3401 ( 3218 PWs) bands (ev): -6.5000 -6.5000 -6.4237 -6.4237 -5.7179 -5.7179 -5.6000 -5.6000 -5.5308 -5.5308 -4.8157 -4.8157 -3.7741 -3.7741 -3.7427 -3.7427 -3.5657 -3.5657 -1.6334 -1.6334 -1.5288 -1.5288 -1.5072 -1.5072 2.2738 2.2738 3.3985 3.3985 5.4113 5.4113 5.8225 5.8225 6.9383 6.9383 6.9467 6.9467 8.0329 8.0329 10.9996 10.9996 11.8035 11.8035 12.5832 12.5832 13.1285 13.1285 k = 0.6142-0.0820-0.3193 ( 3216 PWs) bands (ev): -6.4945 -6.4945 -6.4234 -6.4234 -5.7135 -5.7135 -5.5978 -5.5978 -5.5336 -5.5336 -4.8463 -4.8463 -3.7810 -3.7810 -3.7544 -3.7544 -3.5882 -3.5882 -1.6350 -1.6350 -1.5308 -1.5308 -1.5075 -1.5075 2.2456 2.2456 3.4092 3.4092 5.4836 5.4836 5.8936 5.8936 6.9822 6.9822 6.9888 6.9888 8.0846 8.0846 11.0241 11.0241 11.8027 11.8027 12.6385 12.6385 13.0467 13.0467 k = 0.6082-0.0710-0.2985 ( 3214 PWs) bands (ev): -6.4890 -6.4890 -6.4232 -6.4232 -5.7089 -5.7089 -5.5955 -5.5955 -5.5363 -5.5363 -4.8752 -4.8752 -3.7947 -3.7947 -3.7625 -3.7625 -3.6068 -3.6068 -1.6366 -1.6366 -1.5332 -1.5332 -1.5074 -1.5074 2.2177 2.2177 3.4160 3.4160 5.5623 5.5623 5.9680 5.9680 7.0184 7.0184 7.0339 7.0339 8.1323 8.1323 11.0237 11.0237 11.8149 11.8149 12.7045 12.7045 12.9708 12.9708 k = 0.6022-0.0600-0.2776 ( 3216 PWs) bands (ev): -6.4838 -6.4838 -6.4231 -6.4231 -5.7043 -5.7043 -5.5932 -5.5932 -5.5391 -5.5391 -4.9026 -4.9026 -3.8149 -3.8149 -3.7669 -3.7669 -3.6218 -3.6218 -1.6382 -1.6382 -1.5356 -1.5356 -1.5070 -1.5070 2.1905 2.1905 3.4192 3.4192 5.6468 5.6468 6.0453 6.0453 7.0518 7.0518 7.0769 7.0769 8.1760 8.1760 10.9953 10.9953 11.8478 11.8478 12.7533 12.7533 12.9241 12.9241 k = 0.5962-0.0489-0.2568 ( 3224 PWs) bands (ev): -6.4788 -6.4788 -6.4230 -6.4230 -5.6998 -5.6998 -5.5909 -5.5909 -5.5420 -5.5420 -4.9282 -4.9282 -3.8390 -3.8390 -3.7697 -3.7697 -3.6336 -3.6336 -1.6398 -1.6398 -1.5382 -1.5382 -1.5064 -1.5064 2.1639 2.1639 3.4194 3.4194 5.7363 5.7363 6.1248 6.1248 7.0830 7.0830 7.1172 7.1172 8.2158 8.2158 10.9415 10.9415 11.9025 11.9025 12.7272 12.7272 12.9603 12.9603 k = 0.5902-0.0379-0.2359 ( 3218 PWs) bands (ev): -6.4740 -6.4740 -6.4230 -6.4230 -5.6952 -5.6952 -5.5885 -5.5885 -5.5448 -5.5448 -4.9522 -4.9522 -3.8651 -3.8651 -3.7717 -3.7717 -3.6428 -3.6428 -1.6414 -1.6414 -1.5407 -1.5407 -1.5055 -1.5055 2.1383 2.1383 3.4172 3.4172 5.8302 5.8302 6.2059 6.2059 7.1120 7.1120 7.1546 7.1546 8.2519 8.2519 10.8678 10.8678 11.9755 11.9755 12.6551 12.6551 13.0479 13.0479 k = 0.5842-0.0269-0.2151 ( 3216 PWs) bands (ev): -6.4696 -6.4696 -6.4229 -6.4229 -5.6909 -5.6909 -5.5860 -5.5860 -5.5475 -5.5475 -4.9744 -4.9744 -3.8922 -3.8922 -3.7734 -3.7734 -3.6500 -3.6500 -1.6430 -1.6430 -1.5432 -1.5432 -1.5046 -1.5046 2.1137 2.1137 3.4131 3.4131 5.9275 5.9275 6.2879 6.2879 7.1388 7.1388 7.1890 7.1890 8.2843 8.2843 10.7803 10.7803 12.0624 12.0624 12.5729 12.5729 13.1489 13.1489 k = 0.5781-0.0159-0.1942 ( 3218 PWs) bands (ev): -6.4654 -6.4654 -6.4229 -6.4229 -5.6867 -5.6867 -5.5835 -5.5835 -5.5503 -5.5503 -4.9948 -4.9948 -3.9194 -3.9194 -3.7749 -3.7749 -3.6558 -3.6558 -1.6445 -1.6445 -1.5455 -1.5455 -1.5036 -1.5036 2.0903 2.0903 3.4075 3.4075 6.0275 6.0275 6.3702 6.3702 7.1636 7.1636 7.2202 7.2202 8.3131 8.3131 10.6837 10.6837 12.1583 12.1583 12.4898 12.4898 13.2533 13.2533 k = 0.5721-0.0048-0.1734 ( 3220 PWs) bands (ev): -6.4616 -6.4616 -6.4229 -6.4229 -5.6829 -5.6829 -5.5808 -5.5808 -5.5529 -5.5529 -5.0136 -5.0136 -3.9462 -3.9462 -3.7763 -3.7763 -3.6605 -3.6605 -1.6461 -1.6461 -1.5477 -1.5477 -1.5026 -1.5026 2.0683 2.0683 3.4008 3.4008 6.1294 6.1294 6.4520 6.4520 7.1864 7.1864 7.2483 7.2483 8.3386 8.3386 10.5816 10.5816 12.2540 12.2540 12.4150 12.4150 13.3566 13.3566 k = 0.5661 0.0062-0.1525 ( 3228 PWs) bands (ev): -6.4583 -6.4583 -6.4228 -6.4228 -5.6793 -5.6793 -5.5780 -5.5780 -5.5554 -5.5554 -5.0307 -5.0307 -3.9722 -3.9722 -3.7776 -3.7776 -3.6643 -3.6643 -1.6476 -1.6476 -1.5497 -1.5497 -1.5016 -1.5016 2.0476 2.0476 3.3935 3.3935 6.2321 6.2321 6.5325 6.5325 7.2072 7.2072 7.2731 7.2731 8.3608 8.3608 10.4768 10.4768 12.2816 12.2816 12.4157 12.4157 13.4554 13.4554 k = 0.5601 0.0172-0.1317 ( 3230 PWs) bands (ev): -6.4552 -6.4552 -6.4226 -6.4226 -5.6762 -5.6762 -5.5752 -5.5752 -5.5577 -5.5577 -5.0461 -5.0461 -3.9969 -3.9969 -3.7787 -3.7787 -3.6674 -3.6674 -1.6491 -1.6491 -1.5516 -1.5516 -1.5005 -1.5005 2.0284 2.0284 3.3859 3.3859 6.3347 6.3347 6.6109 6.6109 7.2261 7.2261 7.2945 7.2945 8.3800 8.3800 10.3714 10.3714 12.2156 12.2156 12.5171 12.5171 13.5461 13.5461 k = 0.5541 0.0282-0.1108 ( 3232 PWs) bands (ev): -6.4526 -6.4526 -6.4224 -6.4224 -5.6734 -5.6734 -5.5723 -5.5723 -5.5598 -5.5598 -5.0598 -5.0598 -4.0201 -4.0201 -3.7798 -3.7798 -3.6700 -3.6700 -1.6505 -1.6505 -1.5533 -1.5533 -1.4996 -1.4996 2.0109 2.0109 3.3782 3.3782 6.4362 6.4362 6.6863 6.6863 7.2432 7.2432 7.3125 7.3125 8.3962 8.3962 10.2673 10.2673 12.1397 12.1397 12.6353 12.6353 13.6253 13.6253 k = 0.5481 0.0393-0.0900 ( 3232 PWs) bands (ev): -6.4504 -6.4504 -6.4221 -6.4221 -5.6710 -5.6710 -5.5695 -5.5695 -5.5617 -5.5617 -5.0719 -5.0719 -4.0415 -4.0415 -3.7808 -3.7808 -3.6722 -3.6722 -1.6517 -1.6517 -1.5548 -1.5548 -1.4987 -1.4987 1.9950 1.9950 3.3707 3.3707 6.5353 6.5353 6.7580 6.7580 7.2585 7.2585 7.3269 7.3269 8.4098 8.4098 10.1664 10.1664 12.0659 12.0659 12.7583 12.7583 13.6895 13.6895 k = 0.5421 0.0503-0.0691 ( 3236 PWs) bands (ev): -6.4486 -6.4486 -6.4217 -6.4217 -5.6690 -5.6690 -5.5670 -5.5670 -5.5631 -5.5631 -5.0825 -5.0825 -4.0609 -4.0609 -3.7816 -3.7816 -3.6740 -3.6740 -1.6529 -1.6529 -1.5561 -1.5561 -1.4978 -1.4978 1.9808 1.9808 3.3637 3.3637 6.6306 6.6306 6.8249 6.8249 7.2720 7.2720 7.3376 7.3376 8.4209 8.4209 10.0704 10.0704 11.9969 11.9969 12.8835 12.8835 13.7366 13.7366 k = 0.5361 0.0613-0.0483 ( 3236 PWs) bands (ev): -6.4472 -6.4472 -6.4213 -6.4213 -5.6674 -5.6674 -5.5661 -5.5661 -5.5628 -5.5628 -5.0916 -5.0916 -4.0782 -4.0782 -3.7823 -3.7823 -3.6754 -3.6754 -1.6540 -1.6540 -1.5573 -1.5573 -1.4971 -1.4971 1.9684 1.9684 3.3572 3.3572 6.7204 6.7204 6.8864 6.8864 7.2836 7.2836 7.3447 7.3447 8.4297 8.4297 9.9813 9.9813 11.9340 11.9340 13.0093 13.0093 13.7664 13.7664 k = 0.5301 0.0723-0.0275 ( 3236 PWs) bands (ev): -6.4460 -6.4460 -6.4209 -6.4209 -5.6661 -5.6661 -5.5669 -5.5669 -5.5608 -5.5608 -5.0991 -5.0991 -4.0931 -4.0931 -3.7830 -3.7830 -3.6766 -3.6766 -1.6549 -1.6549 -1.5582 -1.5582 -1.4964 -1.4964 1.9578 1.9578 3.3515 3.3515 6.8027 6.8027 6.9420 6.9420 7.2930 7.2930 7.3481 7.3481 8.4366 8.4366 9.9008 9.9008 11.8785 11.8785 13.1341 13.1341 13.7811 13.7811 k = 0.5240 0.0833-0.0066 ( 3228 PWs) bands (ev): -6.4452 -6.4452 -6.4204 -6.4204 -5.6651 -5.6651 -5.5678 -5.5678 -5.5587 -5.5587 -5.1053 -5.1053 -4.1054 -4.1054 -3.7835 -3.7835 -3.6775 -3.6775 -1.6557 -1.6557 -1.5590 -1.5590 -1.4958 -1.4958 1.9492 1.9492 3.3467 3.3467 6.8747 6.8747 6.9917 6.9917 7.2998 7.2998 7.3483 7.3483 8.4417 8.4417 9.8311 9.8311 11.8315 11.8315 13.2563 13.2563 13.7837 13.7837 k = 0.5180 0.0944 0.0142 ( 3224 PWs) bands (ev): -6.4446 -6.4446 -6.4200 -6.4200 -5.6644 -5.6644 -5.5686 -5.5686 -5.5570 -5.5570 -5.1100 -5.1100 -4.1152 -4.1152 -3.7839 -3.7839 -3.6783 -3.6783 -1.6563 -1.6563 -1.5596 -1.5596 -1.4954 -1.4954 1.9424 1.9424 3.3429 3.3429 6.9332 6.9332 7.0358 7.0358 7.3028 7.3028 7.3466 7.3466 8.4453 8.4453 9.7742 9.7742 11.7939 11.7939 13.3737 13.3737 13.7762 13.7762 k = 0.5120 0.1054 0.0351 ( 3228 PWs) bands (ev): -6.4442 -6.4442 -6.4197 -6.4197 -5.6639 -5.6639 -5.5692 -5.5692 -5.5558 -5.5558 -5.1133 -5.1133 -4.1222 -4.1222 -3.7842 -3.7842 -3.6788 -3.6788 -1.6567 -1.6567 -1.5601 -1.5601 -1.4951 -1.4951 1.9375 1.9375 3.3401 3.3401 6.9750 6.9750 7.0736 7.0736 7.3013 7.3013 7.3448 7.3448 8.4477 8.4477 9.7319 9.7319 11.7665 11.7665 13.4830 13.4830 13.7575 13.7575 k = 0.5060 0.1164 0.0559 ( 3226 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6637 -5.6637 -5.5695 -5.5695 -5.5549 -5.5549 -5.1154 -5.1154 -4.1265 -4.1265 -3.7844 -3.7844 -3.6790 -3.6790 -1.6570 -1.6570 -1.5603 -1.5603 -1.4949 -1.4949 1.9346 1.9346 3.3384 3.3384 6.9995 6.9995 7.1011 7.1011 7.2968 7.2968 7.3441 7.3441 8.4491 8.4491 9.7058 9.7058 11.7498 11.7498 13.5797 13.5797 13.7232 13.7232 k = 0.5000 0.1274 0.0768 ( 3222 PWs) bands (ev): -6.4438 -6.4438 -6.4195 -6.4195 -5.6636 -5.6636 -5.5696 -5.5696 -5.5547 -5.5547 -5.1160 -5.1160 -4.1279 -4.1279 -3.7844 -3.7844 -3.6791 -3.6791 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.9336 1.9336 3.3378 3.3378 7.0074 7.0074 7.1115 7.1115 7.2943 7.2943 7.3440 7.3440 8.4495 8.4495 9.6970 9.6970 11.7442 11.7442 13.6438 13.6438 13.6816 13.6816 k = 0.5000 0.1274 0.0768 ( 3222 PWs) bands (ev): -6.4438 -6.4438 -6.4195 -6.4195 -5.6636 -5.6636 -5.5696 -5.5696 -5.5547 -5.5547 -5.1160 -5.1160 -4.1279 -4.1279 -3.7844 -3.7844 -3.6791 -3.6791 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.9336 1.9336 3.3378 3.3378 7.0074 7.0074 7.1115 7.1115 7.2943 7.2943 7.3440 7.3440 8.4495 8.4495 9.6970 9.6970 11.7442 11.7442 13.6438 13.6438 13.6816 13.6816 k = 0.4773 0.1217 0.0733 ( 3222 PWs) bands (ev): -6.4438 -6.4438 -6.4195 -6.4195 -5.6636 -5.6636 -5.5696 -5.5696 -5.5547 -5.5547 -5.1165 -5.1165 -4.1269 -4.1269 -3.7844 -3.7844 -3.6792 -3.6792 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.9263 1.9263 3.3481 3.3481 7.0070 7.0070 7.1112 7.1112 7.2947 7.2947 7.3443 7.3443 8.4342 8.4342 9.7104 9.7104 11.7433 11.7433 13.6093 13.6093 13.7146 13.7146 k = 0.4545 0.1159 0.0698 ( 3222 PWs) bands (ev): -6.4438 -6.4438 -6.4195 -6.4195 -5.6636 -5.6636 -5.5697 -5.5697 -5.5547 -5.5547 -5.1180 -5.1180 -4.1239 -4.1239 -3.7844 -3.7844 -3.6793 -3.6793 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.9051 1.9051 3.3782 3.3782 7.0059 7.0059 7.1103 7.1103 7.2961 7.2961 7.3455 7.3455 8.3903 8.3903 9.7489 9.7489 11.7405 11.7405 13.5601 13.5601 13.7593 13.7593 k = 0.4318 0.1101 0.0663 ( 3234 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6637 -5.6637 -5.5697 -5.5697 -5.5547 -5.5547 -5.1205 -5.1205 -4.1191 -4.1191 -3.7844 -3.7844 -3.6796 -3.6796 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.8718 1.8718 3.4263 3.4263 7.0040 7.0040 7.1089 7.1089 7.2984 7.2984 7.3473 7.3473 8.3223 8.3223 9.8077 9.8077 11.7360 11.7360 13.5094 13.5094 13.8024 13.8024 k = 0.4091 0.1043 0.0628 ( 3234 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6639 -5.6639 -5.5698 -5.5698 -5.5547 -5.5547 -5.1237 -5.1237 -4.1124 -4.1124 -3.7844 -3.7844 -3.6799 -3.6799 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.8289 1.8289 3.4900 3.4900 7.0015 7.0015 7.1069 7.1069 7.3014 7.3014 7.3497 7.3497 8.2357 8.2357 9.8815 9.8815 11.7298 11.7298 13.4585 13.4585 13.8429 13.8429 k = 0.3864 0.0985 0.0593 ( 3237 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6640 -5.6640 -5.5700 -5.5700 -5.5547 -5.5547 -5.1278 -5.1278 -4.1041 -4.1041 -3.7844 -3.7844 -3.6803 -3.6803 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.7790 1.7790 3.5667 3.5667 6.9983 6.9983 7.1045 7.1045 7.3051 7.3051 7.3527 7.3527 8.1354 8.1354 9.9652 9.9652 11.7218 11.7218 13.4081 13.4081 13.8801 13.8801 k = 0.3636 0.0927 0.0558 ( 3240 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6641 -5.6641 -5.5702 -5.5702 -5.5547 -5.5547 -5.1325 -5.1325 -4.0943 -4.0943 -3.7844 -3.7844 -3.6808 -3.6808 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.7243 1.7243 3.6541 3.6541 6.9947 6.9947 7.1018 7.1018 7.3094 7.3094 7.3562 7.3562 8.0249 8.0249 10.0554 10.0554 11.7123 11.7123 13.3586 13.3586 13.8815 13.8815 k = 0.3409 0.0869 0.0523 ( 3240 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6643 -5.6643 -5.5703 -5.5703 -5.5547 -5.5547 -5.1378 -5.1378 -4.0833 -4.0833 -3.7844 -3.7844 -3.6814 -3.6814 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.6669 1.6669 3.7502 3.7502 6.9906 6.9906 7.0988 7.0988 7.3142 7.3142 7.3601 7.3601 7.9070 7.9070 10.1490 10.1490 11.7013 11.7013 13.3105 13.3105 13.8498 13.8498 k = 0.3182 0.0811 0.0489 ( 3240 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6645 -5.6645 -5.5705 -5.5705 -5.5547 -5.5547 -5.1434 -5.1434 -4.0712 -4.0712 -3.7844 -3.7844 -3.6820 -3.6820 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.6085 1.6085 3.8534 3.8534 6.9861 6.9861 7.0955 7.0955 7.3193 7.3193 7.3642 7.3642 7.7838 7.7838 10.2442 10.2442 11.6888 11.6888 13.2641 13.2641 13.8168 13.8168 k = 0.2955 0.0753 0.0454 ( 3243 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6647 -5.6647 -5.5708 -5.5708 -5.5547 -5.5547 -5.1493 -5.1493 -4.0584 -4.0584 -3.7844 -3.7844 -3.6828 -3.6828 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.5503 1.5503 3.9624 3.9624 6.9811 6.9811 7.0922 7.0922 7.3246 7.3246 7.3686 7.3686 7.6568 7.6568 10.3394 10.3394 11.6750 11.6750 13.2198 13.2198 13.7833 13.7833 k = 0.2727 0.0695 0.0419 ( 3243 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6649 -5.6649 -5.5710 -5.5710 -5.5547 -5.5547 -5.1554 -5.1554 -4.0450 -4.0450 -3.7844 -3.7844 -3.6837 -3.6837 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.4933 1.4933 4.0760 4.0760 6.9757 6.9757 7.0888 7.0888 7.3301 7.3301 7.3730 7.3730 7.5273 7.5273 10.4334 10.4334 11.6600 11.6600 13.1778 13.1778 13.7501 13.7501 k = 0.2500 0.0637 0.0384 ( 3255 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6652 -5.6652 -5.5713 -5.5713 -5.5548 -5.5548 -5.1614 -5.1614 -4.0315 -4.0315 -3.7844 -3.7844 -3.6846 -3.6846 -1.6570 -1.6570 -1.5604 -1.5604 -1.4948 -1.4948 1.4386 1.4386 4.1933 4.1933 6.9694 6.9694 7.0855 7.0855 7.3353 7.3353 7.3774 7.3774 7.3967 7.3967 10.5253 10.5253 11.6437 11.6437 13.1384 13.1384 13.7177 13.7177 k = 0.2273 0.0579 0.0349 ( 3258 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6654 -5.6654 -5.5715 -5.5715 -5.5548 -5.5548 -5.1673 -5.1673 -4.0179 -4.0179 -3.7843 -3.7843 -3.6857 -3.6857 -1.6569 -1.6569 -1.5604 -1.5604 -1.4948 -1.4948 1.3867 1.3867 4.3135 4.3135 6.9612 6.9612 7.0822 7.0822 7.2660 7.2660 7.3412 7.3412 7.3816 7.3816 10.6143 10.6143 11.6262 11.6262 13.1017 13.1017 13.6868 13.6868 k = 0.2045 0.0521 0.0314 ( 3252 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6656 -5.6656 -5.5717 -5.5717 -5.5548 -5.5548 -5.1729 -5.1729 -4.0045 -4.0045 -3.7843 -3.7843 -3.6867 -3.6867 -1.6569 -1.6569 -1.5604 -1.5604 -1.4948 -1.4948 1.3382 1.3382 4.4359 4.4359 6.9474 6.9474 7.0792 7.0792 7.1412 7.1412 7.3461 7.3461 7.3858 7.3858 10.6998 10.6998 11.6076 11.6076 13.0680 13.0680 13.6577 13.6577 k = 0.1818 0.0463 0.0279 ( 3246 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6658 -5.6658 -5.5719 -5.5719 -5.5548 -5.5548 -5.1782 -5.1782 -3.9917 -3.9917 -3.7843 -3.7843 -3.6878 -3.6878 -1.6569 -1.6569 -1.5604 -1.5604 -1.4948 -1.4948 1.2937 1.2937 4.5597 4.5597 6.9105 6.9105 7.0397 7.0397 7.0763 7.0763 7.3509 7.3509 7.3897 7.3897 10.7812 10.7812 11.5878 11.5878 13.0375 13.0375 13.6309 13.6309 k = 0.1591 0.0406 0.0244 ( 3246 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6660 -5.6660 -5.5722 -5.5722 -5.5548 -5.5548 -5.1831 -5.1831 -3.9797 -3.9797 -3.7843 -3.7843 -3.6890 -3.6890 -1.6569 -1.6569 -1.5604 -1.5604 -1.4947 -1.4947 1.2535 1.2535 4.6839 4.6839 6.8195 6.8195 6.9935 6.9935 7.0736 7.0736 7.3553 7.3553 7.3932 7.3932 10.8579 10.8579 11.5669 11.5669 13.0102 13.0102 13.6066 13.6066 k = 0.1364 0.0348 0.0209 ( 3246 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6662 -5.6662 -5.5724 -5.5724 -5.5548 -5.5548 -5.1875 -5.1875 -3.9687 -3.9687 -3.7843 -3.7843 -3.6901 -3.6901 -1.6569 -1.6569 -1.5604 -1.5604 -1.4947 -1.4947 1.2180 1.2180 4.8075 4.8075 6.7001 6.7001 6.9782 6.9782 7.0713 7.0713 7.3593 7.3593 7.3965 7.3965 10.9293 10.9293 11.5449 11.5449 12.9863 12.9863 13.5850 13.5850 k = 0.1136 0.0290 0.0174 ( 3234 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6664 -5.6664 -5.5725 -5.5725 -5.5547 -5.5547 -5.1913 -5.1913 -3.9589 -3.9589 -3.7843 -3.7843 -3.6911 -3.6911 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1875 1.1875 4.9287 4.9287 6.5767 6.5767 6.9709 6.9709 7.0692 7.0692 7.3628 7.3628 7.3993 7.3993 10.9950 10.9950 11.5221 11.5221 12.9659 12.9659 13.5665 13.5665 k = 0.0909 0.0232 0.0140 ( 3237 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6665 -5.6665 -5.5727 -5.5727 -5.5547 -5.5547 -5.1945 -5.1945 -3.9506 -3.9506 -3.7843 -3.7843 -3.6921 -3.6921 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1622 1.1622 5.0452 5.0452 6.4569 6.4569 6.9664 6.9664 7.0675 7.0675 7.3658 7.3658 7.4017 7.4017 11.0540 11.0540 11.4987 11.4987 12.9492 12.9492 13.5511 13.5511 k = 0.0682 0.0174 0.0105 ( 3228 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6666 -5.6666 -5.5728 -5.5728 -5.5547 -5.5547 -5.1971 -5.1971 -3.9439 -3.9439 -3.7842 -3.7842 -3.6929 -3.6929 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1424 1.1424 5.1529 5.1529 6.3462 6.3462 6.9634 6.9634 7.0661 7.0661 7.3681 7.3681 7.4035 7.4035 11.1051 11.1051 11.4757 11.4757 12.9360 12.9360 13.5390 13.5390 k = 0.0455 0.0116 0.0070 ( 3233 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6667 -5.6667 -5.5729 -5.5729 -5.5547 -5.5547 -5.1989 -5.1989 -3.9390 -3.9390 -3.7842 -3.7842 -3.6935 -3.6935 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1281 1.1281 5.2448 5.2448 6.2520 6.2520 6.9614 6.9614 7.0652 7.0652 7.3698 7.3698 7.4049 7.4049 11.1463 11.1463 11.4548 11.4548 12.9266 12.9266 13.5303 13.5303 k = 0.0227 0.0058 0.0035 ( 3233 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6668 -5.6668 -5.5729 -5.5729 -5.5547 -5.5547 -5.2000 -5.2000 -3.9360 -3.9360 -3.7842 -3.7842 -3.6939 -3.6939 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1194 1.1194 5.3095 5.3095 6.1857 6.1857 6.9603 6.9603 7.0646 7.0646 7.3708 7.3708 7.4057 7.4057 11.1741 11.1741 11.4392 11.4392 12.9210 12.9210 13.5250 13.5250 k = 0.0000 0.0000 0.0000 ( 3227 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6668 -5.6668 -5.5730 -5.5730 -5.5547 -5.5547 -5.2004 -5.2004 -3.9350 -3.9350 -3.7842 -3.7842 -3.6941 -3.6941 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1166 1.1166 5.3335 5.3335 6.1613 6.1613 6.9600 6.9600 7.0644 7.0644 7.3711 7.3711 7.4060 7.4060 11.1842 11.1842 11.4333 11.4333 12.9191 12.9191 13.5233 13.5233 k = 0.0000 0.0000 0.0000 ( 3227 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6668 -5.6668 -5.5730 -5.5730 -5.5547 -5.5547 -5.2004 -5.2004 -3.9350 -3.9350 -3.7842 -3.7842 -3.6941 -3.6941 -1.6568 -1.6568 -1.5603 -1.5603 -1.4947 -1.4947 1.1166 1.1166 5.3335 5.3335 6.1613 6.1613 6.9600 6.9600 7.0644 7.0644 7.3711 7.3711 7.4060 7.4060 11.1842 11.1842 11.4333 11.4333 12.9191 12.9191 13.5233 13.5233 k = 0.0060-0.0110-0.0207 ( 3225 PWs) bands (ev): -6.4439 -6.4439 -6.4197 -6.4197 -5.6668 -5.6668 -5.5728 -5.5728 -5.5549 -5.5549 -5.1997 -5.1997 -3.9341 -3.9341 -3.7840 -3.7840 -3.6938 -3.6938 -1.6567 -1.6567 -1.5602 -1.5602 -1.4947 -1.4947 1.1179 1.1179 5.3289 5.3289 6.1615 6.1615 6.9585 6.9585 7.0622 7.0622 7.3697 7.3697 7.4040 7.4040 11.1898 11.1898 11.4315 11.4315 12.9218 12.9218 13.5258 13.5258 k = 0.0120-0.0219-0.0415 ( 3227 PWs) bands (ev): -6.4442 -6.4442 -6.4198 -6.4198 -5.6670 -5.6670 -5.5724 -5.5724 -5.5557 -5.5557 -5.1976 -5.1976 -3.9315 -3.9315 -3.7833 -3.7833 -3.6930 -3.6930 -1.6564 -1.6564 -1.5599 -1.5599 -1.4948 -1.4948 1.1218 1.1218 5.3152 5.3152 6.1620 6.1620 6.9541 6.9541 7.0557 7.0557 7.3640 7.3640 7.3999 7.3999 11.2063 11.2063 11.4264 11.4264 12.9300 12.9300 13.5335 13.5335 k = 0.0179-0.0329-0.0622 ( 3231 PWs) bands (ev): -6.4446 -6.4446 -6.4201 -6.4201 -5.6673 -5.6673 -5.5718 -5.5718 -5.5569 -5.5569 -5.1940 -5.1940 -3.9273 -3.9273 -3.7820 -3.7820 -3.6916 -3.6916 -1.6559 -1.6559 -1.5594 -1.5594 -1.4948 -1.4948 1.1284 1.1284 5.2927 5.2927 6.1625 6.1625 6.9460 6.9460 7.0450 7.0450 7.3509 7.3509 7.3977 7.3977 11.2322 11.2322 11.4189 11.4189 12.9435 12.9435 13.5463 13.5463 k = 0.0239-0.0439-0.0829 ( 3231 PWs) bands (ev): -6.4451 -6.4451 -6.4205 -6.4205 -5.6677 -5.6677 -5.5710 -5.5710 -5.5585 -5.5585 -5.1890 -5.1890 -3.9216 -3.9216 -3.7803 -3.7803 -3.6895 -3.6895 -1.6552 -1.6552 -1.5586 -1.5586 -1.4949 -1.4949 1.1376 1.1376 5.2617 5.2617 6.1628 6.1628 6.9334 6.9334 7.0301 7.0301 7.3305 7.3305 7.3992 7.3992 11.2640 11.2640 11.4117 11.4117 12.9619 12.9619 13.5644 13.5644 k = 0.0299-0.0548-0.1036 ( 3227 PWs) bands (ev): -6.4459 -6.4459 -6.4209 -6.4209 -5.6684 -5.6684 -5.5699 -5.5699 -5.5605 -5.5605 -5.1825 -5.1825 -3.9147 -3.9147 -3.7780 -3.7780 -3.6866 -3.6866 -1.6543 -1.6543 -1.5576 -1.5576 -1.4950 -1.4950 1.1494 1.1494 5.2227 5.2227 6.1622 6.1622 6.9152 6.9152 7.0115 7.0115 7.3052 7.3052 7.4038 7.4038 11.2925 11.2925 11.4130 11.4130 12.9849 12.9849 13.5879 13.5879 k = 0.0359-0.0658-0.1244 ( 3221 PWs) bands (ev): -6.4470 -6.4470 -6.4212 -6.4212 -5.6693 -5.6693 -5.5688 -5.5688 -5.5625 -5.5625 -5.1744 -5.1744 -3.9068 -3.9068 -3.7752 -3.7752 -3.6827 -3.6827 -1.6533 -1.6533 -1.5565 -1.5565 -1.4952 -1.4952 1.1639 1.1639 5.1763 5.1763 6.1599 6.1599 6.8905 6.8905 6.9898 6.9898 7.2772 7.2772 7.4111 7.4111 11.3020 11.3020 11.4372 11.4372 13.0116 13.0116 13.6168 13.6168 k = 0.0418-0.0767-0.1451 ( 3231 PWs) bands (ev): -6.4484 -6.4484 -6.4217 -6.4217 -5.6705 -5.6705 -5.5682 -5.5682 -5.5640 -5.5640 -5.1648 -5.1648 -3.8983 -3.8983 -3.7719 -3.7719 -3.6776 -3.6776 -1.6521 -1.6521 -1.5551 -1.5551 -1.4953 -1.4953 1.1810 1.1810 5.1231 5.1231 6.1548 6.1548 6.8593 6.8593 6.9652 6.9652 7.2483 7.2483 7.4208 7.4208 11.2900 11.2900 11.4856 11.4856 13.0410 13.0410 13.6510 13.6510 k = 0.0478-0.0877-0.1658 ( 3231 PWs) bands (ev): -6.4501 -6.4501 -6.4220 -6.4220 -5.6721 -5.6721 -5.5696 -5.5696 -5.5635 -5.5635 -5.1535 -5.1535 -3.8895 -3.8895 -3.7681 -3.7681 -3.6708 -3.6708 -1.6507 -1.6507 -1.5535 -1.5535 -1.4954 -1.4954 1.2008 1.2008 5.0637 5.0637 6.1453 6.1453 6.8231 6.8231 6.9377 6.9377 7.2195 7.2195 7.4329 7.4329 11.2666 11.2666 11.5469 11.5469 13.0717 13.0717 13.6905 13.6905 k = 0.0538-0.0987-0.1866 ( 3233 PWs) bands (ev): -6.4523 -6.4523 -6.4223 -6.4223 -5.6740 -5.6740 -5.5721 -5.5721 -5.5617 -5.5617 -5.1405 -5.1405 -3.8809 -3.8809 -3.7641 -3.7641 -3.6621 -3.6621 -1.6492 -1.6492 -1.5517 -1.5517 -1.4955 -1.4955 1.2233 1.2233 4.9988 4.9988 6.1294 6.1294 6.7845 6.7845 6.9070 6.9070 7.1914 7.1914 7.4472 7.4472 11.2374 11.2374 11.6144 11.6144 13.1014 13.1014 13.7348 13.7348 k = 0.0598-0.1096-0.2073 ( 3231 PWs) bands (ev): -6.4548 -6.4548 -6.4225 -6.4225 -5.6764 -5.6764 -5.5749 -5.5749 -5.5594 -5.5594 -5.1257 -5.1257 -3.8727 -3.8727 -3.7600 -3.7600 -3.6511 -3.6511 -1.6476 -1.6476 -1.5498 -1.5498 -1.4955 -1.4955 1.2485 1.2485 4.9290 4.9290 6.1052 6.1052 6.7471 6.7471 6.8725 6.8725 7.1641 7.1641 7.4634 7.4634 11.2046 11.2046 11.6845 11.6845 13.1272 13.1272 13.7829 13.7829 k = 0.0658-0.1206-0.2280 ( 3233 PWs) bands (ev): -6.4577 -6.4577 -6.4227 -6.4227 -5.6792 -5.6792 -5.5777 -5.5777 -5.5570 -5.5570 -5.1091 -5.1091 -3.8651 -3.8651 -3.7560 -3.7560 -3.6376 -3.6376 -1.6459 -1.6459 -1.5477 -1.5477 -1.4954 -1.4954 1.2763 1.2763 4.8548 4.8548 6.0705 6.0705 6.7139 6.7139 6.8339 6.8339 7.1376 7.1376 7.4813 7.4813 11.1696 11.1696 11.7547 11.7547 13.1456 13.1456 13.8309 13.8309 k = 0.0717-0.1316-0.2488 ( 3237 PWs) bands (ev): -6.4610 -6.4610 -6.4228 -6.4228 -5.6823 -5.6823 -5.5804 -5.5804 -5.5543 -5.5543 -5.0907 -5.0907 -3.8584 -3.8584 -3.7522 -3.7522 -3.6214 -3.6214 -1.6441 -1.6441 -1.5455 -1.5455 -1.4952 -1.4952 1.3068 1.3068 4.7769 4.7769 6.0243 6.0243 6.6870 6.6870 6.7911 6.7911 7.1118 7.1118 7.5008 7.5008 11.1332 11.1332 11.8231 11.8231 13.1527 13.1527 13.8618 13.8618 k = 0.0777-0.1425-0.2695 ( 3231 PWs) bands (ev): -6.4646 -6.4646 -6.4228 -6.4228 -5.6858 -5.6858 -5.5831 -5.5831 -5.5515 -5.5515 -5.0703 -5.0703 -3.8524 -3.8524 -3.7488 -3.7488 -3.6025 -3.6025 -1.6423 -1.6423 -1.5431 -1.5431 -1.4948 -1.4948 1.3400 1.3400 4.6958 4.6958 5.9665 5.9665 6.6669 6.6669 6.7447 6.7447 7.0868 7.0868 7.5215 7.5215 11.0961 11.0961 11.8878 11.8878 13.1454 13.1454 13.8744 13.8744 k = 0.0837-0.1535-0.2902 ( 3233 PWs) bands (ev): -6.4686 -6.4686 -6.4229 -6.4229 -5.6897 -5.6897 -5.5857 -5.5857 -5.5486 -5.5486 -5.0480 -5.0480 -3.8472 -3.8472 -3.7458 -3.7458 -3.5811 -3.5811 -1.6403 -1.6403 -1.5407 -1.5407 -1.4943 -1.4943 1.3760 1.3760 4.6121 4.6121 5.8982 5.8982 6.6502 6.6502 6.6973 6.6973 7.0627 7.0627 7.5433 7.5433 11.0589 11.0589 11.9469 11.9469 13.1230 13.1230 13.8900 13.8900 k = 0.0897-0.1645-0.3109 ( 3225 PWs) bands (ev): -6.4730 -6.4730 -6.4229 -6.4229 -5.6937 -5.6937 -5.5882 -5.5882 -5.5457 -5.5457 -5.0238 -5.0238 -3.8426 -3.8426 -3.7431 -3.7431 -3.5575 -3.5575 -1.6383 -1.6383 -1.5384 -1.5384 -1.4935 -1.4935 1.4146 1.4146 4.5260 4.5260 5.8213 5.8213 6.6194 6.6194 6.6649 6.6649 7.0401 7.0401 7.5660 7.5660 11.0220 11.0220 11.9984 11.9984 13.0868 13.0868 13.9078 13.9078 k = 0.0956-0.1754-0.3317 ( 3221 PWs) bands (ev): -6.4776 -6.4776 -6.4229 -6.4229 -5.6980 -5.6980 -5.5906 -5.5906 -5.5427 -5.5427 -4.9976 -4.9976 -3.8387 -3.8387 -3.7409 -3.7409 -3.5320 -3.5320 -1.6363 -1.6363 -1.5360 -1.5360 -1.4924 -1.4924 1.4560 1.4560 4.4382 4.4382 5.7378 5.7378 6.5647 6.5647 6.6550 6.6550 7.0198 7.0198 7.5893 7.5893 10.9859 10.9859 12.0401 12.0401 13.0399 13.0399 13.9136 13.9136 k = 0.1016-0.1864-0.3524 ( 3221 PWs) bands (ev): -6.4825 -6.4825 -6.4230 -6.4230 -5.7024 -5.7024 -5.5930 -5.5930 -5.5398 -5.5398 -4.9695 -4.9695 -3.8352 -3.8352 -3.7389 -3.7389 -3.5049 -3.5049 -1.6342 -1.6342 -1.5339 -1.5339 -1.4910 -1.4910 1.5001 1.5001 4.3491 4.3491 5.6494 5.6494 6.5013 6.5013 6.6503 6.6503 7.0026 7.0026 7.6131 7.6131 10.9508 10.9508 12.0697 12.0697 12.9860 12.9860 13.8827 13.8827 k = 0.1076-0.1973-0.3731 ( 3223 PWs) bands (ev): -6.4876 -6.4876 -6.4231 -6.4231 -5.7069 -5.7069 -5.5953 -5.5953 -5.5369 -5.5369 -4.9394 -4.9394 -3.8322 -3.8322 -3.7371 -3.7371 -3.4766 -3.4766 -1.6321 -1.6321 -1.5319 -1.5319 -1.4892 -1.4892 1.5469 1.5469 4.2589 4.2589 5.5579 5.5579 6.4330 6.4330 6.6444 6.6444 6.9901 6.9901 7.6372 7.6372 10.9169 10.9169 12.0847 12.0847 12.9284 12.9284 13.8113 13.8113 k = 0.1136-0.2083-0.3939 ( 3223 PWs) bands (ev): -6.4929 -6.4929 -6.4233 -6.4233 -5.7114 -5.7114 -5.5975 -5.5975 -5.5340 -5.5340 -4.9075 -4.9075 -3.8295 -3.8295 -3.7355 -3.7355 -3.4473 -3.4473 -1.6299 -1.6299 -1.5301 -1.5301 -1.4869 -1.4869 1.5964 1.5964 4.1682 4.1682 5.4644 5.4644 6.3607 6.3607 6.6345 6.6345 6.9835 6.9835 7.6616 7.6616 10.8844 10.8844 12.0827 12.0827 12.8695 12.8695 13.7229 13.7229 k = 0.1195-0.2193-0.4146 ( 3225 PWs) bands (ev): -6.4984 -6.4984 -6.4236 -6.4236 -5.7159 -5.7159 -5.5998 -5.5998 -5.5312 -5.5312 -4.8737 -4.8737 -3.8270 -3.8270 -3.7341 -3.7341 -3.4172 -3.4172 -1.6277 -1.6277 -1.5286 -1.5286 -1.4843 -1.4843 1.6486 1.6486 4.0771 4.0771 5.3701 5.3701 6.2849 6.2849 6.6186 6.6186 6.9834 6.9834 7.6860 7.6860 10.8533 10.8533 12.0626 12.0626 12.8101 12.8101 13.6354 13.6354 k = 0.1255-0.2302-0.4353 ( 3225 PWs) bands (ev): -6.5040 -6.5040 -6.4240 -6.4240 -5.7202 -5.7202 -5.6021 -5.6021 -5.5285 -5.5285 -4.8381 -4.8381 -3.8248 -3.8248 -3.7328 -3.7328 -3.3867 -3.3867 -1.6254 -1.6254 -1.5274 -1.5274 -1.4812 -1.4812 1.7035 1.7035 3.9861 3.9861 5.2759 5.2759 6.2060 6.2060 6.5961 6.5961 6.9900 6.9900 7.7104 7.7104 10.8235 10.8235 12.0245 12.0245 12.7494 12.7494 13.5575 13.5575 k = 0.1315-0.2412-0.4561 ( 3223 PWs) bands (ev): -6.5097 -6.5097 -6.4244 -6.4244 -5.7244 -5.7244 -5.6043 -5.6043 -5.5259 -5.5259 -4.8008 -4.8008 -3.8228 -3.8228 -3.7315 -3.7315 -3.3560 -3.3560 -1.6232 -1.6232 -1.5264 -1.5264 -1.4777 -1.4777 1.7611 1.7611 3.8954 3.8954 5.1824 5.1824 6.1241 6.1241 6.5672 6.5672 7.0022 7.0022 7.7345 7.7345 10.7947 10.7947 11.9706 11.9706 12.6854 12.6854 13.4927 13.4927 k = 0.1375-0.2522-0.4768 ( 3227 PWs) bands (ev): -6.5154 -6.5154 -6.4250 -6.4250 -5.7285 -5.7285 -5.6067 -5.6067 -5.5234 -5.5234 -4.7619 -4.7619 -3.8210 -3.8210 -3.7303 -3.7303 -3.3253 -3.3253 -1.6208 -1.6208 -1.5256 -1.5256 -1.4739 -1.4739 1.8213 1.8213 3.8054 3.8054 5.0902 5.0902 6.0398 6.0398 6.5325 6.5325 7.0190 7.0190 7.7583 7.7583 10.7667 10.7667 11.9041 11.9041 12.6166 12.6166 13.4415 13.4415 k = 0.1435-0.2631-0.4975 ( 3225 PWs) bands (ev): -6.5211 -6.5211 -6.4257 -6.4257 -5.7324 -5.7324 -5.6091 -5.6091 -5.5210 -5.5210 -4.7213 -4.7213 -3.8193 -3.8193 -3.7290 -3.7290 -3.2947 -3.2947 -1.6185 -1.6185 -1.5250 -1.5250 -1.4699 -1.4699 1.8840 1.8840 3.7162 3.7162 5.0000 5.0000 5.9532 5.9532 6.4929 6.4929 7.0390 7.0390 7.7816 7.7816 10.7389 10.7389 11.8287 11.8287 12.5427 12.5427 13.4013 13.4013 k = 0.1494-0.2741-0.5182 ( 3216 PWs) bands (ev): -6.5267 -6.5267 -6.4264 -6.4264 -5.7360 -5.7360 -5.6115 -5.6115 -5.5186 -5.5186 -4.6793 -4.6793 -3.8177 -3.8177 -3.7278 -3.7278 -3.2646 -3.2646 -1.6160 -1.6160 -1.5246 -1.5246 -1.4657 -1.4657 1.9494 1.9494 3.6282 3.6282 4.9121 4.9121 5.8648 5.8648 6.4490 6.4490 7.0610 7.0610 7.8042 7.8042 10.7107 10.7107 11.7482 11.7482 12.4645 12.4645 13.3678 13.3678 k = 0.1554-0.2850-0.5390 ( 3214 PWs) bands (ev): -6.5322 -6.5322 -6.4273 -6.4273 -5.7395 -5.7395 -5.6141 -5.6141 -5.5164 -5.5164 -4.6359 -4.6359 -3.8162 -3.8162 -3.7265 -3.7265 -3.2350 -3.2350 -1.6135 -1.6135 -1.5244 -1.5244 -1.4614 -1.4614 2.0172 2.0172 3.5415 3.5415 4.8271 4.8271 5.7747 5.7747 6.4016 6.4016 7.0841 7.0841 7.8259 7.8259 10.6812 10.6812 11.6661 11.6661 12.3840 12.3840 13.3360 13.3360 k = 0.1614-0.2960-0.5597 ( 3222 PWs) bands (ev): -6.5377 -6.5377 -6.4284 -6.4284 -5.7427 -5.7427 -5.6168 -5.6168 -5.5144 -5.5144 -4.5913 -4.5913 -3.8149 -3.8149 -3.7251 -3.7251 -3.2062 -3.2062 -1.6111 -1.6111 -1.5242 -1.5242 -1.4570 -1.4570 2.0875 2.0875 3.4565 3.4565 4.7451 4.7451 5.6834 5.6834 6.3512 6.3512 7.1072 7.1072 7.8465 7.8465 10.6493 10.6493 11.5855 11.5855 12.3030 12.3030 13.3012 13.3012 k = 0.1674-0.3070-0.5804 ( 3222 PWs) bands (ev): -6.5429 -6.5429 -6.4296 -6.4296 -5.7457 -5.7457 -5.6195 -5.6195 -5.5124 -5.5124 -4.5455 -4.5455 -3.8136 -3.8136 -3.7236 -3.7236 -3.1784 -3.1784 -1.6085 -1.6085 -1.5241 -1.5241 -1.4527 -1.4527 2.1601 2.1601 3.3732 3.3732 4.6667 4.6667 5.5911 5.5911 6.2980 6.2980 7.1298 7.1298 7.8659 7.8659 10.6139 10.6139 11.5095 11.5095 12.2233 12.2233 13.2603 13.2603 k = 0.1733-0.3179-0.6012 ( 3218 PWs) bands (ev): -6.5479 -6.5479 -6.4309 -6.4309 -5.7484 -5.7484 -5.6224 -5.6224 -5.5105 -5.5105 -4.4987 -4.4987 -3.8123 -3.8123 -3.7220 -3.7220 -3.1517 -3.1517 -1.6059 -1.6059 -1.5240 -1.5240 -1.4485 -1.4485 2.2350 2.2350 3.2920 3.2920 4.5921 4.5921 5.4982 5.4982 6.2424 6.2424 7.1510 7.1510 7.8837 7.8837 10.5738 10.5738 11.4405 11.4405 12.1464 12.1464 13.2115 13.2115 k = 0.1793-0.3289-0.6219 ( 3216 PWs) bands (ev): -6.5527 -6.5527 -6.4324 -6.4324 -5.7509 -5.7509 -5.6254 -5.6254 -5.5087 -5.5087 -4.4510 -4.4510 -3.8112 -3.8112 -3.7201 -3.7201 -3.1262 -3.1262 -1.6033 -1.6033 -1.5240 -1.5240 -1.4444 -1.4444 2.3120 2.3120 3.2130 3.2130 4.5215 4.5215 5.4050 5.4050 6.1847 6.1847 7.1704 7.1704 7.8997 7.8997 10.5281 10.5281 11.3806 11.3806 12.0734 12.0734 13.1544 13.1544 k = 0.1853-0.3399-0.6426 ( 3218 PWs) bands (ev): -6.5572 -6.5572 -6.4340 -6.4340 -5.7532 -5.7532 -5.6285 -5.6285 -5.5071 -5.5071 -4.4027 -4.4027 -3.8101 -3.8101 -3.7181 -3.7181 -3.1022 -3.1022 -1.6006 -1.6006 -1.5240 -1.5240 -1.4405 -1.4405 2.3910 2.3910 3.1365 3.1365 4.4554 4.4554 5.3119 5.3119 6.1252 6.1252 7.1874 7.1874 7.9136 7.9136 10.4764 10.4764 11.3312 11.3312 12.0053 12.0053 13.0898 13.0898 k = 0.1913-0.3508-0.6634 ( 3214 PWs) bands (ev): -6.5613 -6.5613 -6.4358 -6.4358 -5.7552 -5.7552 -5.6317 -5.6317 -5.5055 -5.5055 -4.3539 -4.3539 -3.8090 -3.8090 -3.7156 -3.7156 -3.0797 -3.0797 -1.5980 -1.5980 -1.5240 -1.5240 -1.4368 -1.4368 2.4717 2.4717 3.0627 3.0627 4.3939 4.3939 5.2192 5.2192 6.0640 6.0640 7.2014 7.2014 7.9252 7.9252 10.4189 10.4189 11.2928 11.2928 11.9429 11.9429 13.0189 13.0189 k = 0.1973-0.3618-0.6841 ( 3212 PWs) bands (ev): -6.5652 -6.5652 -6.4378 -6.4378 -5.7569 -5.7569 -5.6351 -5.6351 -5.5041 -5.5041 -4.3048 -4.3048 -3.8080 -3.8080 -3.7128 -3.7128 -3.0589 -3.0589 -1.5953 -1.5953 -1.5240 -1.5240 -1.4335 -1.4335 2.5539 2.5539 2.9918 2.9918 4.3372 4.3372 5.1272 5.1272 6.0014 6.0014 7.2120 7.2120 7.9340 7.9340 10.3566 10.3566 11.2651 11.2651 11.8868 11.8868 12.9428 12.9428 k = 0.2032-0.3728-0.7048 ( 3212 PWs) bands (ev): -6.5686 -6.5686 -6.4399 -6.4399 -5.7585 -5.7585 -5.6386 -5.6386 -5.5028 -5.5028 -4.2557 -4.2557 -3.8071 -3.8071 -3.7094 -3.7094 -3.0399 -3.0399 -1.5926 -1.5926 -1.5240 -1.5240 -1.4305 -1.4305 2.6368 2.6368 2.9245 2.9245 4.2855 4.2855 5.0364 5.0364 5.9375 5.9375 7.2189 7.2189 7.9398 7.9398 10.2908 10.2908 11.2474 11.2474 11.8373 11.8373 12.8630 12.8630 k = 0.2092-0.3837-0.7255 ( 3222 PWs) bands (ev): -6.5717 -6.5717 -6.4422 -6.4422 -5.7598 -5.7598 -5.6422 -5.6422 -5.5016 -5.5016 -4.2069 -4.2069 -3.8062 -3.8062 -3.7053 -3.7053 -3.0228 -3.0228 -1.5899 -1.5899 -1.5240 -1.5240 -1.4280 -1.4280 2.7182 2.7182 2.8629 2.8629 4.2391 4.2391 4.9473 4.9473 5.8725 5.8725 7.2217 7.2217 7.9423 7.9423 10.2232 10.2232 11.2383 11.2383 11.7948 11.7948 12.7808 12.7808 k = 0.2152-0.3947-0.7463 ( 3220 PWs) bands (ev): -6.5744 -6.5744 -6.4446 -6.4446 -5.7609 -5.7609 -5.6459 -5.6459 -5.5005 -5.5005 -4.1588 -4.1588 -3.8053 -3.8053 -3.7002 -3.7002 -3.0078 -3.0078 -1.5873 -1.5873 -1.5239 -1.5239 -1.4259 -1.4259 2.7688 2.7688 2.8360 2.8360 4.1980 4.1980 4.8603 4.8603 5.8067 5.8067 7.2201 7.2201 7.9411 7.9411 10.1554 10.1554 11.2366 11.2366 11.7593 11.7593 12.6972 12.6972 k = 0.2212-0.4056-0.7670 ( 3222 PWs) bands (ev): -6.5766 -6.5766 -6.4472 -6.4472 -5.7617 -5.7617 -5.6498 -5.6498 -5.4995 -5.4995 -4.1117 -4.1117 -3.8044 -3.8044 -3.6939 -3.6939 -2.9948 -2.9948 -1.5846 -1.5846 -1.5238 -1.5238 -1.4243 -1.4243 2.7277 2.7277 2.9044 2.9044 4.1625 4.1625 4.7760 4.7760 5.7402 5.7402 7.2139 7.2139 7.9360 7.9360 10.0889 10.0889 11.2410 11.2410 11.7309 11.7309 12.6138 12.6138 k = 0.2271-0.4166-0.7877 ( 3228 PWs) bands (ev): -6.5784 -6.5784 -6.4500 -6.4500 -5.7623 -5.7623 -5.6538 -5.6538 -5.4986 -5.4986 -4.0664 -4.0664 -3.8036 -3.8036 -3.6860 -3.6860 -2.9841 -2.9841 -1.5820 -1.5820 -1.5237 -1.5237 -1.4232 -1.4232 2.6748 2.6748 2.9876 2.9876 4.1325 4.1325 4.6953 4.6953 5.6732 5.6732 7.2031 7.2031 7.9267 7.9267 10.0248 10.0248 11.2503 11.2503 11.7091 11.7091 12.5318 12.5318 k = 0.2331-0.4276-0.8085 ( 3220 PWs) bands (ev): -6.5796 -6.5796 -6.4530 -6.4530 -5.7627 -5.7627 -5.6578 -5.6578 -5.4978 -5.4978 -4.0233 -4.0233 -3.8028 -3.8028 -3.6760 -3.6760 -2.9755 -2.9755 -1.5794 -1.5794 -1.5234 -1.5234 -1.4226 -1.4226 2.6237 2.6237 3.0712 3.0712 4.1082 4.1082 4.6190 4.6190 5.6059 5.6059 7.1875 7.1875 7.9131 7.9131 9.9642 9.9642 11.2634 11.2634 11.6933 11.6933 12.4529 12.4529 k = 0.2391-0.4385-0.8292 ( 3218 PWs) bands (ev): -6.5804 -6.5804 -6.4561 -6.4561 -5.7629 -5.7629 -5.6620 -5.6620 -5.4971 -5.4971 -3.9833 -3.9833 -3.8021 -3.8021 -3.6632 -3.6632 -2.9693 -2.9693 -1.5768 -1.5768 -1.5231 -1.5231 -1.4227 -1.4227 2.5757 2.5757 3.1529 3.1529 4.0895 4.0895 4.5485 4.5485 5.5384 5.5384 7.1672 7.1672 7.8950 7.8950 9.9078 9.9078 11.2791 11.2791 11.6824 11.6824 12.3794 12.3794 k = 0.2451-0.4495-0.8499 ( 3218 PWs) bands (ev): -6.5807 -6.5807 -6.4595 -6.4595 -5.7628 -5.7628 -5.6663 -5.6663 -5.4964 -5.4964 -3.9473 -3.9473 -3.8013 -3.8013 -3.6469 -3.6469 -2.9654 -2.9654 -1.5742 -1.5742 -1.5227 -1.5227 -1.4233 -1.4233 2.5312 2.5312 3.2307 3.2307 4.0765 4.0765 4.4855 4.4855 5.4712 5.4712 7.1424 7.1424 7.8724 7.8724 9.8561 9.8561 11.2957 11.2957 11.6749 11.6749 12.3137 12.3137 k = 0.2511-0.4605-0.8706 ( 3220 PWs) bands (ev): -6.5805 -6.5805 -6.4630 -6.4630 -5.7625 -5.7625 -5.6706 -5.6706 -5.4959 -5.4959 -3.9160 -3.9160 -3.8006 -3.8006 -3.6266 -3.6266 -2.9639 -2.9639 -1.5717 -1.5717 -1.5223 -1.5223 -1.4244 -1.4244 2.4904 2.4904 3.3023 3.3023 4.0689 4.0689 4.4322 4.4322 5.4042 5.4042 7.1131 7.1131 7.8455 7.8455 9.8096 9.8096 11.3114 11.3114 11.6693 11.6693 12.2593 12.2593 k = 0.2570-0.4714-0.8914 ( 3214 PWs) bands (ev): -6.5798 -6.5798 -6.4667 -6.4667 -5.7620 -5.7620 -5.6750 -5.6750 -5.4954 -5.4954 -3.8898 -3.8898 -3.7999 -3.7999 -3.6021 -3.6021 -2.9647 -2.9647 -1.5692 -1.5692 -1.5217 -1.5217 -1.4262 -1.4262 2.4533 2.4533 3.3648 3.3648 4.0668 4.0668 4.3916 4.3916 5.3379 5.3379 7.0797 7.0797 7.8144 7.8144 9.7684 9.7684 11.3230 11.3230 11.6648 11.6648 12.2195 12.2195 k = 0.2630-0.4824-0.9121 ( 3214 PWs) bands (ev): -6.5786 -6.5786 -6.4706 -6.4706 -5.7613 -5.7613 -5.6795 -5.6795 -5.4950 -5.4950 -3.8686 -3.8686 -3.7992 -3.7992 -3.5735 -3.5735 -2.9680 -2.9680 -1.5667 -1.5667 -1.5210 -1.5210 -1.4284 -1.4284 2.4200 2.4200 3.4149 3.4149 4.0700 4.0700 4.3668 4.3668 5.2725 5.2725 7.0424 7.0424 7.7795 7.7795 9.7326 9.7326 11.3262 11.3262 11.6626 11.6626 12.1973 12.1973 k = 0.2690-0.4934-0.9328 ( 3212 PWs) bands (ev): -6.5770 -6.5770 -6.4747 -6.4747 -5.7603 -5.7603 -5.6840 -5.6840 -5.4947 -5.4947 -3.8520 -3.8520 -3.7986 -3.7986 -3.5415 -3.5415 -2.9736 -2.9736 -1.5643 -1.5643 -1.5202 -1.5202 -1.4311 -1.4311 2.3905 2.3905 3.4492 3.4492 4.0786 4.0786 4.3609 4.3609 5.2085 5.2085 7.0016 7.0016 7.7410 7.7410 9.7020 9.7020 11.3160 11.3160 11.6661 11.6661 12.1936 12.1936 k = 0.2750-0.5043-0.9536 ( 3218 PWs) bands (ev): -6.5748 -6.5748 -6.4790 -6.4790 -5.7591 -5.7591 -5.6886 -5.6886 -5.4945 -5.4945 -3.8393 -3.8393 -3.7979 -3.7979 -3.5070 -3.5070 -2.9816 -2.9816 -1.5618 -1.5618 -1.5192 -1.5192 -1.4343 -1.4343 2.3647 2.3647 3.4660 3.4660 4.0923 4.0923 4.3753 4.3753 5.1461 5.1461 6.9576 6.9576 7.6995 7.6995 9.6765 9.6765 11.2890 11.2890 11.6793 11.6793 12.2073 12.2073 k = 0.2809-0.5153-0.9743 ( 3216 PWs) bands (ev): -6.5723 -6.5723 -6.4835 -6.4835 -5.7577 -5.7577 -5.6931 -5.6931 -5.4943 -5.4943 -3.8295 -3.8295 -3.7973 -3.7973 -3.4709 -3.4709 -2.9919 -2.9919 -1.5595 -1.5595 -1.5181 -1.5181 -1.4379 -1.4379 2.3425 2.3425 3.4660 3.4660 4.1106 4.1106 4.4095 4.4095 5.0861 5.0861 6.9108 6.9108 7.6554 7.6554 9.6560 9.6560 11.2458 11.2458 11.7035 11.7035 12.2359 12.2359 k = 0.2869-0.5262-0.9950 ( 3214 PWs) bands (ev): -6.5692 -6.5692 -6.4881 -6.4881 -5.7561 -5.7561 -5.6977 -5.6977 -5.4941 -5.4941 -3.8222 -3.8222 -3.7967 -3.7967 -3.4340 -3.4340 -3.0044 -3.0044 -1.5572 -1.5572 -1.5168 -1.5168 -1.4417 -1.4417 2.3238 2.3238 3.4519 3.4519 4.1326 4.1326 4.4607 4.4607 5.0292 5.0292 6.8616 6.8616 7.6093 7.6093 9.6402 9.6402 11.1897 11.1897 11.7373 11.7373 12.2765 12.2765 k = 0.2929-0.5372-1.0158 ( 3214 PWs) bands (ev): -6.5658 -6.5658 -6.4929 -6.4929 -5.7542 -5.7542 -5.7022 -5.7022 -5.4940 -5.4940 -3.8166 -3.8166 -3.7962 -3.7962 -3.3971 -3.3971 -3.0191 -3.0191 -1.5549 -1.5549 -1.5154 -1.5154 -1.4458 -1.4458 2.3083 2.3083 3.4277 3.4277 4.1571 4.1571 4.5253 4.5253 4.9765 4.9765 6.8105 6.8105 7.5617 7.5617 9.6287 9.6287 11.1248 11.1248 11.7787 11.7787 12.3265 12.3265 k = 0.2989-0.5482-1.0365 ( 3208 PWs) bands (ev): -6.5619 -6.5619 -6.4979 -6.4979 -5.7521 -5.7521 -5.7066 -5.7066 -5.4939 -5.4939 -3.8124 -3.8124 -3.7956 -3.7956 -3.3607 -3.3607 -3.0359 -3.0359 -1.5528 -1.5528 -1.5139 -1.5139 -1.4500 -1.4500 2.2959 2.2959 3.3972 3.3972 4.1823 4.1823 4.5993 4.5993 4.9295 4.9295 6.7578 6.7578 7.5131 7.5131 9.6215 9.6215 11.0543 11.0543 11.8257 11.8257 12.3838 12.3838 k = 0.3048-0.5591-1.0572 ( 3210 PWs) bands (ev): -6.5577 -6.5577 -6.5030 -6.5030 -5.7497 -5.7497 -5.7110 -5.7110 -5.4939 -5.4939 -3.8093 -3.8093 -3.7951 -3.7951 -3.3251 -3.3251 -3.0547 -3.0547 -1.5509 -1.5509 -1.5123 -1.5123 -1.4541 -1.4541 2.2861 2.2861 3.3636 3.3636 4.2061 4.2061 4.6793 4.6793 4.8908 4.8908 6.7040 6.7040 7.4640 7.4640 9.6183 9.6183 10.9805 10.9805 11.8768 11.8768 12.4466 12.4466 k = 0.3108-0.5701-1.0779 ( 3208 PWs) bands (ev): -6.5532 -6.5532 -6.5081 -6.5081 -5.7472 -5.7472 -5.7153 -5.7153 -5.4939 -5.4939 -3.8070 -3.8070 -3.7946 -3.7946 -3.2908 -3.2908 -3.0753 -3.0753 -1.5491 -1.5491 -1.5105 -1.5105 -1.4581 -1.4581 2.2785 2.2785 3.3295 3.3295 4.2260 4.2260 4.7599 4.7599 4.8654 4.8654 6.6494 6.6494 7.4149 7.4149 9.6188 9.6188 10.9051 10.9051 11.9306 11.9306 12.5135 12.5135 k = 0.3168-0.5811-1.0987 ( 3214 PWs) bands (ev): -6.5486 -6.5486 -6.5133 -6.5133 -5.7446 -5.7446 -5.7193 -5.7193 -5.4939 -5.4939 -3.8054 -3.8054 -3.7943 -3.7943 -3.2580 -3.2580 -3.0975 -3.0975 -1.5477 -1.5477 -1.5088 -1.5088 -1.4618 -1.4618 2.2726 2.2726 3.2969 3.2969 4.2389 4.2389 4.8162 4.8162 4.8797 4.8797 6.5945 6.5945 7.3664 7.3664 9.6228 9.6228 10.8294 10.8294 11.9862 11.9862 12.5831 12.5831 k = 0.3228-0.5920-1.1194 ( 3214 PWs) bands (ev): -6.5440 -6.5440 -6.5181 -6.5181 -5.7419 -5.7419 -5.7229 -5.7229 -5.4939 -5.4939 -3.8043 -3.8043 -3.7940 -3.7940 -3.2275 -3.2275 -3.1208 -3.1208 -1.5466 -1.5466 -1.5072 -1.5072 -1.4648 -1.4648 2.2676 2.2676 3.2675 3.2675 4.2419 4.2419 4.8282 4.8282 4.9542 4.9542 6.5398 6.5398 7.3188 7.3188 9.6302 9.6302 10.7543 10.7543 12.0424 12.0424 12.6542 12.6542 k = 0.3288-0.6030-1.1401 ( 3218 PWs) bands (ev): -6.5403 -6.5403 -6.5221 -6.5221 -5.7398 -5.7398 -5.7257 -5.7257 -5.4939 -5.4939 -3.8036 -3.8036 -3.7939 -3.7939 -3.2009 -3.2009 -3.1432 -3.1432 -1.5459 -1.5459 -1.5057 -1.5057 -1.4671 -1.4671 2.2631 2.2631 3.2426 3.2426 4.2337 4.2337 4.8452 4.8452 5.0397 5.0397 6.4856 6.4856 7.2726 7.2726 9.6405 9.6405 10.6808 10.6808 12.0984 12.0984 12.7257 12.7257 k = 0.3347-0.6139-1.1609 ( 3216 PWs) bands (ev): -6.5392 -6.5392 -6.5232 -6.5232 -5.7392 -5.7392 -5.7265 -5.7265 -5.4939 -5.4939 -3.8032 -3.8032 -3.7938 -3.7938 -3.1915 -3.1915 -3.1516 -3.1516 -1.5459 -1.5459 -1.5045 -1.5045 -1.4683 -1.4683 2.2582 2.2582 3.2234 3.2234 4.2148 4.2148 4.8760 4.8760 5.1254 5.1254 6.4324 6.4324 7.2283 7.2283 9.6536 9.6536 10.6095 10.6095 12.1531 12.1531 12.7963 12.7963 k = 0.3407-0.6249-1.1816 ( 3216 PWs) bands (ev): -6.5421 -6.5421 -6.5203 -6.5203 -5.7407 -5.7407 -5.7246 -5.7246 -5.4939 -5.4939 -3.8031 -3.8031 -3.7940 -3.7940 -3.2114 -3.2114 -3.1337 -3.1337 -1.5465 -1.5465 -1.5036 -1.5036 -1.4684 -1.4684 2.2522 2.2522 3.2110 3.2110 4.1873 4.1873 4.9195 4.9195 5.2091 5.2091 6.3807 6.3807 7.1862 7.1862 9.6688 9.6688 10.5415 10.5415 12.2055 12.2055 12.8647 12.8647 k = 0.6593-0.4975-1.1048 ( 3216 PWs) bands (ev): -6.5421 -6.5421 -6.5203 -6.5203 -5.7407 -5.7407 -5.7246 -5.7246 -5.4939 -5.4939 -3.8031 -3.8031 -3.7940 -3.7940 -3.2114 -3.2114 -3.1337 -3.1337 -1.5465 -1.5465 -1.5036 -1.5036 -1.4684 -1.4684 2.2522 2.2522 3.2110 3.2110 4.1873 4.1873 4.9195 4.9195 5.2091 5.2091 6.3807 6.3807 7.1862 7.1862 9.6688 9.6688 10.5415 10.5415 12.2055 12.2055 12.8647 12.8647 k = 0.6534-0.4743-1.1048 ( 3218 PWs) bands (ev): -6.5469 -6.5469 -6.5154 -6.5154 -5.7434 -5.7434 -5.7212 -5.7212 -5.4939 -5.4939 -3.8033 -3.8033 -3.7942 -3.7942 -3.2387 -3.2387 -3.1112 -3.1112 -1.5479 -1.5479 -1.5028 -1.5028 -1.4675 -1.4675 2.2447 2.2447 3.2062 3.2062 4.1539 4.1539 4.9722 4.9722 5.2885 5.2885 6.3319 6.3319 7.1474 7.1474 9.6852 9.6852 10.4786 10.4786 12.2539 12.2539 12.9288 12.9288 k = 0.6475-0.4512-1.1048 ( 3216 PWs) bands (ev): -6.5524 -6.5524 -6.5097 -6.5097 -5.7465 -5.7465 -5.7169 -5.7169 -5.4939 -5.4939 -3.8036 -3.8036 -3.7946 -3.7946 -3.2681 -3.2681 -3.0892 -3.0892 -1.5499 -1.5499 -1.5020 -1.5020 -1.4656 -1.4656 2.2351 2.2351 3.2091 3.2091 4.1165 4.1165 5.0320 5.0320 5.3637 5.3637 6.2859 6.2859 7.1116 7.1116 9.7018 9.7018 10.4212 10.4212 12.2978 12.2978 12.9878 12.9878 k = 0.6416-0.4280-1.1048 ( 3212 PWs) bands (ev): -6.5582 -6.5582 -6.5036 -6.5036 -5.7497 -5.7497 -5.7120 -5.7120 -5.4938 -5.4938 -3.8042 -3.8042 -3.7951 -3.7951 -3.2985 -3.2985 -3.0684 -3.0684 -1.5527 -1.5527 -1.5011 -1.5011 -1.4630 -1.4630 2.2232 2.2232 3.2200 3.2200 4.0765 4.0765 5.0966 5.0966 5.4338 5.4338 6.2436 6.2436 7.0793 7.0793 9.7171 9.7171 10.3712 10.3712 12.3362 12.3362 13.0402 13.0402 k = 0.6357-0.4049-1.1048 ( 3224 PWs) bands (ev): -6.5642 -6.5642 -6.4975 -6.4975 -5.7528 -5.7528 -5.7068 -5.7068 -5.4937 -5.4937 -3.8049 -3.8049 -3.7958 -3.7958 -3.3297 -3.3297 -3.0492 -3.0492 -1.5560 -1.5560 -1.5000 -1.5000 -1.4599 -1.4599 2.2090 2.2090 3.2389 3.2389 4.0353 4.0353 5.1637 5.1637 5.4981 5.4981 6.2061 6.2061 7.0509 7.0509 9.7287 9.7287 10.3308 10.3308 12.3680 12.3680 13.0841 13.0841 k = 0.6298-0.3817-1.1048 ( 3226 PWs) bands (ev): -6.5702 -6.5702 -6.4912 -6.4912 -5.7558 -5.7558 -5.7012 -5.7012 -5.4936 -5.4936 -3.8059 -3.8059 -3.7967 -3.7967 -3.3613 -3.3613 -3.0314 -3.0314 -1.5597 -1.5597 -1.4987 -1.4987 -1.4565 -1.4565 2.1926 2.1926 3.2656 3.2656 3.9935 3.9935 5.2307 5.2307 5.5557 5.5557 6.1751 6.1751 7.0267 7.0267 9.7341 9.7341 10.3030 10.3030 12.3923 12.3923 13.1176 13.1176 k = 0.6239-0.3586-1.1048 ( 3228 PWs) bands (ev): -6.5763 -6.5763 -6.4849 -6.4849 -5.7587 -5.7587 -5.6952 -5.6952 -5.4934 -5.4934 -3.8071 -3.8071 -3.7976 -3.7976 -3.3931 -3.3931 -3.0151 -3.0151 -1.5637 -1.5637 -1.4971 -1.4971 -1.4528 -1.4528 2.1743 2.1743 3.2994 3.2994 3.9519 3.9519 5.2949 5.2949 5.6061 5.6061 6.1527 6.1527 7.0070 7.0070 9.7305 9.7305 10.2902 10.2902 12.4081 12.4081 13.1387 13.1387 k = 0.6180-0.3354-1.1048 ( 3228 PWs) bands (ev): -6.5823 -6.5823 -6.4787 -6.4787 -5.7615 -5.7615 -5.6890 -5.6890 -5.4932 -5.4932 -3.8085 -3.8085 -3.7987 -3.7987 -3.4247 -3.4247 -3.0002 -3.0002 -1.5679 -1.5679 -1.4954 -1.4954 -1.4490 -1.4490 2.1545 2.1545 3.3399 3.3399 3.9109 3.9109 5.3532 5.3532 5.6488 5.6488 6.1414 6.1414 6.9920 6.9920 9.7166 9.7166 10.2939 10.2939 12.4150 12.4150 13.1459 13.1459 k = 0.6121-0.3123-1.1048 ( 3234 PWs) bands (ev): -6.5883 -6.5883 -6.4726 -6.4726 -5.7640 -5.7640 -5.6825 -5.6825 -5.4929 -5.4929 -3.8102 -3.8102 -3.8000 -3.8000 -3.4561 -3.4561 -2.9867 -2.9867 -1.5722 -1.5722 -1.4936 -1.4936 -1.4451 -1.4451 2.1336 2.1336 3.3864 3.3864 3.8709 3.8709 5.4021 5.4021 5.6836 5.6836 6.1442 6.1442 6.9817 6.9817 9.6926 9.6926 10.3133 10.3133 12.4126 12.4126 13.1380 13.1380 k = 0.6062-0.2892-1.1048 ( 3238 PWs) bands (ev): -6.5942 -6.5942 -6.4666 -6.4666 -5.7665 -5.7665 -5.6757 -5.6757 -5.4926 -5.4926 -3.8122 -3.8122 -3.8013 -3.8013 -3.4868 -3.4868 -2.9745 -2.9745 -1.5765 -1.5765 -1.4916 -1.4916 -1.4413 -1.4413 2.1119 2.1119 3.4381 3.4381 3.8320 3.8320 5.4386 5.4386 5.7102 5.7102 6.1636 6.1636 6.9761 6.9761 9.6604 9.6604 10.3464 10.3464 12.4013 12.4013 13.1145 13.1145 k = 0.6003-0.2660-1.1048 ( 3238 PWs) bands (ev): -6.6000 -6.6000 -6.4608 -6.4608 -5.7687 -5.7687 -5.6687 -5.6687 -5.4922 -5.4922 -3.8148 -3.8148 -3.8027 -3.8027 -3.5167 -3.5167 -2.9634 -2.9634 -1.5808 -1.5808 -1.4897 -1.4897 -1.4374 -1.4374 2.0900 2.0900 3.4942 3.4942 3.7946 3.7946 5.4615 5.4615 5.7290 5.7290 6.2006 6.2006 6.9747 6.9747 9.6221 9.6221 10.3903 10.3903 12.3815 12.3815 13.0763 13.0763 k = 0.5944-0.2429-1.1048 ( 3232 PWs) bands (ev): -6.6056 -6.6056 -6.4551 -6.4551 -5.7708 -5.7708 -5.6616 -5.6616 -5.4917 -5.4917 -3.8179 -3.8179 -3.8042 -3.8042 -3.5455 -3.5455 -2.9535 -2.9535 -1.5849 -1.5849 -1.4876 -1.4876 -1.4337 -1.4337 2.0680 2.0680 3.5541 3.5541 3.7589 3.7589 5.4713 5.4713 5.7403 5.7403 6.2541 6.2541 6.9771 6.9771 9.5798 9.5798 10.4423 10.4423 12.3543 12.3543 13.0253 13.0253 k = 0.5885-0.2197-1.1048 ( 3230 PWs) bands (ev): -6.6110 -6.6110 -6.4497 -6.4497 -5.7727 -5.7727 -5.6544 -5.6544 -5.4911 -5.4911 -3.8218 -3.8218 -3.8056 -3.8056 -3.5729 -3.5729 -2.9446 -2.9446 -1.5889 -1.5889 -1.4857 -1.4857 -1.4301 -1.4301 2.0464 2.0464 3.6166 3.6166 3.7254 3.7254 5.4704 5.4704 5.7446 5.7446 6.3213 6.3213 6.9827 6.9827 9.5352 9.5352 10.4999 10.4999 12.3206 12.3206 12.9643 12.9643 k = 0.5826-0.1966-1.1048 ( 3232 PWs) bands (ev): -6.6163 -6.6163 -6.4446 -6.4446 -5.7744 -5.7744 -5.6471 -5.6471 -5.4905 -5.4905 -3.8266 -3.8266 -3.8071 -3.8071 -3.5984 -3.5984 -2.9367 -2.9367 -1.5928 -1.5928 -1.4837 -1.4837 -1.4266 -1.4266 2.0254 2.0254 3.6742 3.6742 3.7010 3.7010 5.4617 5.4617 5.7425 5.7425 6.3988 6.3988 6.9909 6.9909 9.4892 9.4892 10.5607 10.5607 12.2820 12.2820 12.8968 12.8968 k = 0.5767-0.1734-1.1048 ( 3230 PWs) bands (ev): -6.6213 -6.6213 -6.4397 -6.4397 -5.7760 -5.7760 -5.6399 -5.6399 -5.4898 -5.4898 -3.8325 -3.8325 -3.8084 -3.8084 -3.6219 -3.6219 -2.9296 -2.9296 -1.5964 -1.5964 -1.4818 -1.4818 -1.4233 -1.4233 2.0051 2.0051 3.6590 3.6590 3.7529 3.7529 5.4478 5.4478 5.7350 5.7350 6.4836 6.4836 7.0009 7.0009 9.4426 9.4426 10.6226 10.6226 12.2396 12.2396 12.8269 12.8269 k = 0.5708-0.1503-1.1048 ( 3228 PWs) bands (ev): -6.6260 -6.6260 -6.4352 -6.4352 -5.7775 -5.7775 -5.6328 -5.6328 -5.4891 -5.4891 -3.8395 -3.8395 -3.8097 -3.8097 -3.6430 -3.6430 -2.9234 -2.9234 -1.5999 -1.5999 -1.4799 -1.4799 -1.4202 -1.4202 1.9859 1.9859 3.6314 3.6314 3.8203 3.8203 5.4308 5.4308 5.7227 5.7227 6.5730 6.5730 7.0121 7.0121 9.3961 9.3961 10.6836 10.6836 12.1944 12.1944 12.7589 12.7589 k = 0.5649-0.1271-1.1048 ( 3226 PWs) bands (ev): -6.6305 -6.6305 -6.4310 -6.4310 -5.7788 -5.7788 -5.6259 -5.6259 -5.4882 -5.4882 -3.8478 -3.8478 -3.8109 -3.8109 -3.6615 -3.6615 -2.9179 -2.9179 -1.6031 -1.6031 -1.4782 -1.4782 -1.4173 -1.4173 1.9678 1.9678 3.6052 3.6052 3.8885 3.8885 5.4121 5.4121 5.7064 5.7064 6.6648 6.6648 7.0239 7.0239 9.3500 9.3500 10.7415 10.7415 12.1470 12.1470 12.6974 12.6974 k = 0.5590-0.1040-1.1048 ( 3220 PWs) bands (ev): -6.6346 -6.6346 -6.4271 -6.4271 -5.7799 -5.7799 -5.6193 -5.6193 -5.4873 -5.4873 -3.8572 -3.8572 -3.8121 -3.8121 -3.6773 -3.6773 -2.9130 -2.9130 -1.6061 -1.6061 -1.4766 -1.4766 -1.4146 -1.4146 1.9510 1.9510 3.5809 3.5809 3.9564 3.9564 5.3929 5.3929 5.6870 5.6870 6.7571 6.7571 7.0357 7.0357 9.3047 9.3047 10.7943 10.7943 12.0975 12.0975 12.6469 12.6469 k = 0.5531-0.0809-1.1048 ( 3222 PWs) bands (ev): -6.6385 -6.6385 -6.4236 -6.4236 -5.7809 -5.7809 -5.6130 -5.6130 -5.4863 -5.4863 -3.8675 -3.8675 -3.8131 -3.8131 -3.6904 -3.6904 -2.9089 -2.9089 -1.6088 -1.6088 -1.4751 -1.4751 -1.4121 -1.4121 1.9355 1.9355 3.5588 3.5588 4.0230 4.0230 5.3738 5.3738 5.6653 5.6653 6.8483 6.8483 7.0474 7.0474 9.2604 9.2604 10.8404 10.8404 12.0460 12.0460 12.6113 12.6113 k = 0.5472-0.0577-1.1048 ( 3226 PWs) bands (ev): -6.6420 -6.6420 -6.4204 -6.4204 -5.7819 -5.7819 -5.6072 -5.6072 -5.4854 -5.4854 -3.8783 -3.8783 -3.8141 -3.8141 -3.7011 -3.7011 -2.9053 -2.9053 -1.6112 -1.6112 -1.4737 -1.4737 -1.4099 -1.4099 1.9215 1.9215 3.5389 3.5389 4.0875 4.0875 5.3555 5.3555 5.6421 5.6421 6.9367 6.9367 7.0585 7.0585 9.2177 9.2177 10.8786 10.8786 11.9929 11.9929 12.5933 12.5933 k = 0.5413-0.0346-1.1048 ( 3230 PWs) bands (ev): -6.6451 -6.6451 -6.4176 -6.4176 -5.7827 -5.7827 -5.6020 -5.6020 -5.4844 -5.4844 -3.8891 -3.8891 -3.8149 -3.8149 -3.7096 -3.7096 -2.9022 -2.9022 -1.6134 -1.6134 -1.4724 -1.4724 -1.4080 -1.4080 1.9090 1.9090 3.5212 3.5212 4.1488 4.1488 5.3382 5.3382 5.6181 5.6181 7.0198 7.0198 7.0698 7.0698 9.1768 9.1768 10.9085 10.9085 11.9393 11.9393 12.5933 12.5933 k = 0.5354-0.0114-1.1048 ( 3230 PWs) bands (ev): -6.6478 -6.6478 -6.4152 -6.4152 -5.7833 -5.7833 -5.5972 -5.5972 -5.4834 -5.4834 -3.8996 -3.8996 -3.8157 -3.8157 -3.7163 -3.7163 -2.8996 -2.8996 -1.6153 -1.6153 -1.4714 -1.4714 -1.4062 -1.4062 1.8980 1.8980 3.5058 3.5058 4.2058 4.2058 5.3224 5.3224 5.5944 5.5944 7.0724 7.0724 7.1046 7.1046 9.1385 9.1385 10.9304 10.9304 11.8872 11.8872 12.6097 12.6097 k = 0.5295 0.0117-1.1048 ( 3230 PWs) bands (ev): -6.6502 -6.6502 -6.4131 -6.4131 -5.7839 -5.7839 -5.5932 -5.5932 -5.4825 -5.4825 -3.9092 -3.9092 -3.8163 -3.8163 -3.7215 -3.7215 -2.8975 -2.8975 -1.6169 -1.6169 -1.4704 -1.4704 -1.4047 -1.4047 1.8887 1.8887 3.4927 3.4927 4.2574 4.2574 5.3083 5.3083 5.5718 5.5718 7.0826 7.0826 7.1730 7.1730 9.1034 9.1034 10.9453 10.9453 11.8387 11.8387 12.6392 12.6392 k = 0.5236 0.0349-1.1048 ( 3230 PWs) bands (ev): -6.6521 -6.6521 -6.4115 -6.4115 -5.7843 -5.7843 -5.5898 -5.5898 -5.4816 -5.4816 -3.9176 -3.9176 -3.8169 -3.8169 -3.7254 -3.7254 -2.8958 -2.8958 -1.6182 -1.6182 -1.4696 -1.4696 -1.4035 -1.4035 1.8810 1.8810 3.4819 3.4819 4.3023 4.3023 5.2962 5.2962 5.5514 5.5514 7.0894 7.0894 7.2341 7.2341 9.0725 9.0725 10.9546 10.9546 11.7959 11.7959 12.6769 12.6769 k = 0.5177 0.0580-1.1048 ( 3226 PWs) bands (ev): -6.6536 -6.6536 -6.4101 -6.4101 -5.7847 -5.7847 -5.5871 -5.5871 -5.4809 -5.4809 -3.9244 -3.9244 -3.8173 -3.8173 -3.7283 -3.7283 -2.8945 -2.8945 -1.6192 -1.6192 -1.4690 -1.4690 -1.4026 -1.4026 1.8751 1.8751 3.4736 3.4736 4.3392 4.3392 5.2862 5.2862 5.5342 5.5342 7.0945 7.0945 7.2844 7.2844 9.0469 9.0469 10.9599 10.9599 11.7607 11.7607 12.7169 12.7169 k = 0.5118 0.0812-1.1048 ( 3230 PWs) bands (ev): -6.6547 -6.6547 -6.4092 -6.4092 -5.7849 -5.7849 -5.5852 -5.5852 -5.4804 -5.4804 -3.9295 -3.9295 -3.8176 -3.8176 -3.7302 -3.7302 -2.8935 -2.8935 -1.6200 -1.6200 -1.4686 -1.4686 -1.4019 -1.4019 1.8708 1.8708 3.4676 3.4676 4.3668 4.3668 5.2788 5.2788 5.5211 5.5211 7.0981 7.0981 7.3219 7.3219 9.0276 9.0276 10.9625 10.9625 11.7345 11.7345 12.7527 12.7527 k = 0.5059 0.1043-1.1048 ( 3234 PWs) bands (ev): -6.6554 -6.6554 -6.4087 -6.4087 -5.7851 -5.7851 -5.5841 -5.5841 -5.4800 -5.4800 -3.9326 -3.9326 -3.8178 -3.8178 -3.7313 -3.7313 -2.8930 -2.8930 -1.6204 -1.6204 -1.4684 -1.4684 -1.4015 -1.4015 1.8682 1.8682 3.4640 3.4640 4.3838 4.3838 5.2742 5.2742 5.5129 5.5129 7.1003 7.1003 7.3450 7.3450 9.0155 9.0155 10.9636 10.9636 11.7184 11.7184 12.7777 12.7777 k = 0.5000 0.1274-1.1048 ( 3232 PWs) bands (ev): -6.6556 -6.6556 -6.4085 -6.4085 -5.7851 -5.7851 -5.5837 -5.5837 -5.4799 -5.4799 -3.9336 -3.9336 -3.8178 -3.8178 -3.7317 -3.7317 -2.8928 -2.8928 -1.6206 -1.6206 -1.4683 -1.4683 -1.4014 -1.4014 1.8673 1.8673 3.4628 3.4628 4.3896 4.3896 5.2726 5.2726 5.5101 5.5101 7.1010 7.1010 7.3528 7.3528 9.0114 9.0114 10.9639 10.9639 11.7129 11.7129 12.7867 12.7867 k = 0.5000 0.1274-1.1048 ( 3232 PWs) bands (ev): -6.6556 -6.6556 -6.4085 -6.4085 -5.7851 -5.7851 -5.5837 -5.5837 -5.4799 -5.4799 -3.9336 -3.9336 -3.8178 -3.8178 -3.7317 -3.7317 -2.8928 -2.8928 -1.6206 -1.6206 -1.4683 -1.4683 -1.4014 -1.4014 1.8673 1.8673 3.4628 3.4628 4.3896 4.3896 5.2726 5.2726 5.5101 5.5101 7.1010 7.1010 7.3528 7.3528 9.0114 9.0114 10.9639 10.9639 11.7129 11.7129 12.7867 12.7867 k = 0.5199 0.1325-1.0952 ( 3230 PWs) bands (ev): -6.6556 -6.6556 -6.4085 -6.4085 -5.7851 -5.7851 -5.5837 -5.5837 -5.4799 -5.4799 -3.9377 -3.9377 -3.8138 -3.8138 -3.7314 -3.7314 -2.8931 -2.8931 -1.6206 -1.6206 -1.4683 -1.4683 -1.4018 -1.4018 1.8682 1.8682 3.4619 3.4619 4.3880 4.3880 5.2779 5.2779 5.5111 5.5111 7.0929 7.0929 7.3518 7.3518 9.0197 9.0197 10.9467 10.9467 11.7301 11.7301 12.7899 12.7899 k = 0.5398 0.1376-1.0856 ( 3227 PWs) bands (ev): -6.6555 -6.6555 -6.4085 -6.4085 -5.7851 -5.7851 -5.5837 -5.5837 -5.4799 -5.4799 -3.9484 -3.9484 -3.8031 -3.8031 -3.7305 -3.7305 -2.8939 -2.8939 -1.6207 -1.6207 -1.4686 -1.4686 -1.4030 -1.4030 1.8708 1.8708 3.4594 3.4594 4.3837 4.3837 5.2932 5.2932 5.5141 5.5141 7.0691 7.0691 7.3487 7.3487 9.0439 9.0439 10.8995 10.8995 11.7772 11.7772 12.7992 12.7992 k = 0.5597 0.1427-1.0760 ( 3219 PWs) bands (ev): -6.6553 -6.6553 -6.4084 -6.4084 -5.7850 -5.7850 -5.5836 -5.5836 -5.4799 -5.4799 -3.9630 -3.9630 -3.7890 -3.7890 -3.7285 -3.7285 -2.8953 -2.8953 -1.6209 -1.6209 -1.4690 -1.4690 -1.4049 -1.4049 1.8751 1.8751 3.4550 3.4550 4.3775 4.3775 5.3174 5.3174 5.5194 5.5194 7.0310 7.0310 7.3438 7.3438 9.0825 9.0825 10.8317 10.8317 11.8449 11.8449 12.8146 12.8146 k = 0.5796 0.1477-1.0664 ( 3221 PWs) bands (ev): -6.6551 -6.6551 -6.4084 -6.4084 -5.7848 -5.7848 -5.5836 -5.5836 -5.4800 -5.4800 -3.9797 -3.9797 -3.7742 -3.7742 -3.7247 -3.7247 -2.8973 -2.8973 -1.6211 -1.6211 -1.4696 -1.4696 -1.4075 -1.4075 1.8811 1.8811 3.4484 3.4484 4.3706 4.3706 5.3486 5.3486 5.5277 5.5277 6.9809 6.9809 7.3370 7.3370 9.1332 9.1332 10.7517 10.7517 11.9247 11.9247 12.8356 12.8356 k = 0.5996 0.1528-1.0568 ( 3220 PWs) bands (ev): -6.6549 -6.6549 -6.4084 -6.4084 -5.7847 -5.7847 -5.5837 -5.5837 -5.4800 -5.4800 -3.9973 -3.9973 -3.7617 -3.7617 -3.7173 -3.7173 -2.8997 -2.8997 -1.6215 -1.6215 -1.4705 -1.4705 -1.4107 -1.4107 1.8889 1.8889 3.4393 3.4393 4.3644 4.3644 5.3839 5.3839 5.5402 5.5402 6.9214 6.9214 7.3286 7.3286 9.1931 9.1931 10.6659 10.6659 12.0106 12.0106 12.8619 12.8619 k = 0.6195 0.1579-1.0472 ( 3219 PWs) bands (ev): -6.6546 -6.6546 -6.4084 -6.4084 -5.7845 -5.7845 -5.5836 -5.5836 -5.4800 -5.4800 -4.0150 -4.0150 -3.7533 -3.7533 -3.7051 -3.7051 -2.9027 -2.9027 -1.6218 -1.6218 -1.4716 -1.4716 -1.4143 -1.4143 1.8984 1.8984 3.4274 3.4274 4.3600 4.3600 5.4195 5.4195 5.5590 5.5590 6.8553 6.8553 7.3187 7.3187 9.2592 9.2592 10.5786 10.5786 12.0987 12.0987 12.8927 12.8927 k = 0.6394 0.1630-1.0376 ( 3212 PWs) bands (ev): -6.6542 -6.6542 -6.4084 -6.4084 -5.7843 -5.7843 -5.5836 -5.5836 -5.4801 -5.4801 -4.0326 -4.0326 -3.7487 -3.7487 -3.6891 -3.6891 -2.9061 -2.9061 -1.6223 -1.6223 -1.4729 -1.4729 -1.4181 -1.4181 1.9096 1.9096 3.4125 3.4125 4.3584 4.3584 5.4512 5.4512 5.5866 5.5866 6.7854 6.7854 7.3074 7.3074 9.3283 9.3283 10.4933 10.4933 12.1862 12.1862 12.9273 12.9273 k = 0.6593 0.1681-1.0281 ( 3208 PWs) bands (ev): -6.6538 -6.6538 -6.4084 -6.4084 -5.7841 -5.7841 -5.5836 -5.5836 -5.4801 -5.4801 -4.0498 -4.0498 -3.7462 -3.7462 -3.6711 -3.6711 -2.9099 -2.9099 -1.6228 -1.6228 -1.4747 -1.4747 -1.4220 -1.4220 1.9225 1.9225 3.3945 3.3945 4.3600 4.3600 5.4763 5.4763 5.6237 5.6237 6.7145 6.7145 7.2949 7.2949 9.3964 9.3964 10.4135 10.4135 12.2714 12.2714 12.9646 12.9646 k = 0.6593 0.1681-1.0281 ( 3208 PWs) bands (ev): -6.6538 -6.6538 -6.4084 -6.4084 -5.7841 -5.7841 -5.5836 -5.5836 -5.4801 -5.4801 -4.0498 -4.0498 -3.7462 -3.7462 -3.6711 -3.6711 -2.9099 -2.9099 -1.6228 -1.6228 -1.4747 -1.4747 -1.4220 -1.4220 1.9225 1.9225 3.3945 3.3945 4.3600 4.3600 5.4763 5.4763 5.6237 5.6237 6.7145 6.7145 7.2949 7.2949 9.3964 9.3964 10.4135 10.4135 12.2714 12.2714 12.9646 12.9646 k = 0.6558 0.1672-1.0040 ( 3208 PWs) bands (ev): -6.6524 -6.6524 -6.4085 -6.4085 -5.7838 -5.7838 -5.5838 -5.5838 -5.4805 -5.4805 -4.0633 -4.0633 -3.7457 -3.7457 -3.6647 -3.6647 -2.9166 -2.9166 -1.6232 -1.6232 -1.4763 -1.4763 -1.4256 -1.4256 1.9281 1.9281 3.3806 3.3806 4.4433 4.4433 5.4629 5.4629 5.5980 5.5980 6.6843 6.6843 7.2988 7.2988 9.4238 9.4238 10.4277 10.4277 12.2914 12.2914 12.9716 12.9716 k = 0.6524 0.1663-0.9800 ( 3208 PWs) bands (ev): -6.6506 -6.6506 -6.4086 -6.4086 -5.7833 -5.7833 -5.5839 -5.5839 -5.4811 -5.4811 -4.0791 -4.0791 -3.7455 -3.7455 -3.6598 -3.6598 -2.9249 -2.9249 -1.6236 -1.6236 -1.4781 -1.4781 -1.4294 -1.4294 1.9383 1.9383 3.3691 3.3691 4.5204 4.5204 5.4457 5.4457 5.5846 5.5846 6.6586 6.6586 7.3032 7.3032 9.4538 9.4538 10.4466 10.4466 12.3138 12.3138 12.9820 12.9820 k = 0.6489 0.1654-0.9560 ( 3213 PWs) bands (ev): -6.6482 -6.6482 -6.4087 -6.4087 -5.7827 -5.7827 -5.5842 -5.5842 -5.4819 -5.4819 -4.0972 -4.0972 -3.7456 -3.7456 -3.6562 -3.6562 -2.9349 -2.9349 -1.6240 -1.6240 -1.4801 -1.4801 -1.4332 -1.4332 1.9530 1.9530 3.3594 3.3594 4.5902 4.5902 5.4275 5.4275 5.5814 5.5814 6.6388 6.6388 7.3081 7.3081 9.4860 9.4860 10.4701 10.4701 12.3383 12.3383 12.9957 12.9957 k = 0.6454 0.1645-0.9320 ( 3217 PWs) bands (ev): -6.6454 -6.6454 -6.4089 -6.4089 -5.7820 -5.7820 -5.5844 -5.5844 -5.4828 -5.4828 -4.1175 -4.1175 -3.7458 -3.7458 -3.6539 -3.6539 -2.9466 -2.9466 -1.6244 -1.6244 -1.4823 -1.4823 -1.4371 -1.4371 1.9718 1.9718 3.3510 3.3510 4.6516 4.6516 5.4117 5.4117 5.5853 5.5853 6.6266 6.6266 7.3135 7.3135 9.5204 9.5204 10.4980 10.4980 12.3646 12.3646 13.0126 13.0126 k = 0.6420 0.1636-0.9080 ( 3220 PWs) bands (ev): -6.6420 -6.6420 -6.4090 -6.4090 -5.7812 -5.7812 -5.5848 -5.5848 -5.4838 -5.4838 -4.1398 -4.1398 -3.7461 -3.7461 -3.6528 -3.6528 -2.9602 -2.9602 -1.6247 -1.6247 -1.4847 -1.4847 -1.4410 -1.4410 1.9945 1.9945 3.3435 3.3435 4.7041 4.7041 5.4004 5.4004 5.5942 5.5942 6.6233 6.6233 7.3194 7.3194 9.5566 9.5566 10.5304 10.5304 12.3921 12.3921 13.0325 13.0325 k = 0.6385 0.1628-0.8839 ( 3212 PWs) bands (ev): -6.6382 -6.6382 -6.4092 -6.4092 -5.7802 -5.7802 -5.5851 -5.5851 -5.4849 -5.4849 -4.1642 -4.1642 -3.7465 -3.7465 -3.6528 -3.6528 -2.9756 -2.9756 -1.6251 -1.6251 -1.4871 -1.4871 -1.4448 -1.4448 2.0208 2.0208 3.3362 3.3362 4.7479 4.7479 5.3940 5.3940 5.6068 5.6068 6.6305 6.6305 7.3258 7.3258 9.5947 9.5947 10.5672 10.5672 12.4207 12.4207 13.0552 13.0552 k = 0.6350 0.1619-0.8599 ( 3210 PWs) bands (ev): -6.6340 -6.6340 -6.4094 -6.4094 -5.7790 -5.7790 -5.5854 -5.5854 -5.4862 -5.4862 -4.1905 -4.1905 -3.7471 -3.7471 -3.6537 -3.6537 -2.9931 -2.9931 -1.6254 -1.6254 -1.4896 -1.4896 -1.4487 -1.4487 2.0502 2.0502 3.3289 3.3289 4.7840 4.7840 5.3919 5.3919 5.6222 5.6222 6.6490 6.6490 7.3326 7.3326 9.6346 9.6346 10.6081 10.6081 12.4497 12.4497 13.0804 13.0804 k = 0.6316 0.1610-0.8359 ( 3212 PWs) bands (ev): -6.6293 -6.6293 -6.4097 -6.4097 -5.7777 -5.7777 -5.5858 -5.5858 -5.4877 -5.4877 -4.2186 -4.2186 -3.7477 -3.7477 -3.6553 -3.6553 -3.0125 -3.0125 -1.6257 -1.6257 -1.4921 -1.4921 -1.4525 -1.4525 2.0823 2.0823 3.3214 3.3214 4.8141 4.8141 5.3929 5.3929 5.6401 5.6401 6.6793 6.6793 7.3398 7.3398 9.6763 9.6763 10.6531 10.6531 12.4787 12.4787 13.1077 13.1077 k = 0.6281 0.1601-0.8119 ( 3220 PWs) bands (ev): -6.6243 -6.6243 -6.4099 -6.4099 -5.7763 -5.7763 -5.5862 -5.5862 -5.4893 -5.4893 -4.2482 -4.2482 -3.7484 -3.7484 -3.6575 -3.6575 -3.0340 -3.0340 -1.6260 -1.6260 -1.4947 -1.4947 -1.4563 -1.4563 2.1163 2.1163 3.3134 3.3134 4.8399 4.8399 5.3960 5.3960 5.6604 5.6604 6.7212 6.7212 7.3473 7.3473 9.7198 9.7198 10.7021 10.7021 12.5072 12.5072 13.1370 13.1370 k = 0.6247 0.1592-0.7879 ( 3220 PWs) bands (ev): -6.6188 -6.6188 -6.4103 -6.4103 -5.7747 -5.7747 -5.5866 -5.5866 -5.4910 -5.4910 -4.2794 -4.2794 -3.7492 -3.7492 -3.6601 -3.6601 -3.0573 -3.0573 -1.6263 -1.6263 -1.4971 -1.4971 -1.4601 -1.4601 2.1517 2.1517 3.3051 3.3051 4.8630 4.8630 5.4005 5.4005 5.6829 5.6829 6.7740 6.7740 7.3551 7.3551 9.7654 9.7654 10.7550 10.7550 12.5345 12.5345 13.1677 13.1677 k = 0.6212 0.1583-0.7639 ( 3220 PWs) bands (ev): -6.6130 -6.6130 -6.4106 -6.4106 -5.7729 -5.7729 -5.5871 -5.5871 -5.4928 -5.4928 -4.3118 -4.3118 -3.7500 -3.7500 -3.6631 -3.6631 -3.0826 -3.0826 -1.6265 -1.6265 -1.4995 -1.4995 -1.4639 -1.4639 2.1874 2.1874 3.2969 3.2969 4.8846 4.8846 5.4066 5.4066 5.7076 5.7076 6.8365 6.8365 7.3633 7.3633 9.8130 9.8130 10.8115 10.8115 12.5601 12.5601 13.1996 13.1996 k = 0.6177 0.1575-0.7398 ( 3218 PWs) bands (ev): -6.6069 -6.6069 -6.4109 -6.4109 -5.7709 -5.7709 -5.5875 -5.5875 -5.4948 -5.4948 -4.3453 -4.3453 -3.7509 -3.7509 -3.6663 -3.6663 -3.1096 -3.1096 -1.6268 -1.6268 -1.5018 -1.5018 -1.4676 -1.4676 2.2227 2.2227 3.2892 3.2892 4.9055 4.9055 5.4150 5.4150 5.7344 5.7344 6.9070 6.9070 7.3716 7.3716 9.8629 9.8629 10.8715 10.8715 12.5829 12.5829 13.2324 13.2324 k = 0.6143 0.1566-0.7158 ( 3221 PWs) bands (ev): -6.6004 -6.6004 -6.4113 -6.4113 -5.7688 -5.7688 -5.5879 -5.5879 -5.4968 -5.4968 -4.3797 -4.3797 -3.7518 -3.7518 -3.6698 -3.6698 -3.1383 -3.1383 -1.6270 -1.6270 -1.5039 -1.5039 -1.4714 -1.4714 2.2564 2.2564 3.2826 3.2826 4.9256 4.9256 5.4271 5.4271 5.7634 5.7634 6.9839 6.9839 7.3802 7.3802 9.9153 9.9153 10.9348 10.9348 12.6023 12.6023 13.2659 13.2659 k = 0.6108 0.1557-0.6918 ( 3216 PWs) bands (ev): -6.5937 -6.5937 -6.4117 -6.4117 -5.7664 -5.7664 -5.5883 -5.5883 -5.4990 -5.4990 -4.4149 -4.4149 -3.7528 -3.7528 -3.6734 -3.6734 -3.1686 -3.1686 -1.6272 -1.6272 -1.5060 -1.5060 -1.4752 -1.4752 2.2873 2.2873 3.2779 3.2779 4.9450 4.9450 5.4444 5.4444 5.7944 5.7944 7.0656 7.0656 7.3889 7.3889 9.9703 9.9703 11.0009 11.0009 12.6172 12.6172 13.2999 13.2999 k = 0.6073 0.1548-0.6678 ( 3215 PWs) bands (ev): -6.5868 -6.5868 -6.4121 -6.4121 -5.7639 -5.7639 -5.5886 -5.5886 -5.5012 -5.5012 -4.4505 -4.4505 -3.7539 -3.7539 -3.6772 -3.6772 -3.2002 -3.2002 -1.6275 -1.6275 -1.5078 -1.5078 -1.4789 -1.4789 2.3144 2.3144 3.2760 3.2760 4.9636 4.9636 5.4680 5.4680 5.8274 5.8274 7.1505 7.1505 7.3978 7.3978 10.0283 10.0283 11.0697 11.0697 12.6268 12.6268 13.3345 13.3345 k = 0.6039 0.1539-0.6438 ( 3217 PWs) bands (ev): -6.5797 -6.5797 -6.4126 -6.4126 -5.7611 -5.7611 -5.5890 -5.5890 -5.5036 -5.5036 -4.4864 -4.4864 -3.7550 -3.7550 -3.6811 -3.6811 -3.2330 -3.2330 -1.6278 -1.6278 -1.5095 -1.5095 -1.4827 -1.4827 2.3365 2.3365 3.2774 3.2774 4.9816 4.9816 5.4991 5.4991 5.8622 5.8622 7.2369 7.2369 7.4068 7.4068 10.0893 10.0893 11.1404 11.1404 12.6303 12.6303 13.3697 13.3697 k = 0.6004 0.1530-0.6197 ( 3207 PWs) bands (ev): -6.5723 -6.5723 -6.4131 -6.4131 -5.7581 -5.7581 -5.5893 -5.5893 -5.5060 -5.5060 -4.5225 -4.5225 -3.7561 -3.7561 -3.6852 -3.6852 -3.2667 -3.2667 -1.6281 -1.6281 -1.5110 -1.5110 -1.4864 -1.4864 2.3529 2.3529 3.2825 3.2825 4.9996 4.9996 5.5379 5.5379 5.8988 5.8988 7.3231 7.3231 7.4167 7.4167 10.1535 10.1535 11.2126 11.2126 12.6272 12.6272 13.4058 13.4058 k = 0.5970 0.1522-0.5957 ( 3203 PWs) bands (ev): -6.5649 -6.5649 -6.4136 -6.4136 -5.7549 -5.7549 -5.5895 -5.5895 -5.5085 -5.5085 -4.5585 -4.5585 -3.7574 -3.7574 -3.6895 -3.6895 -3.3012 -3.3012 -1.6285 -1.6285 -1.5124 -1.5124 -1.4900 -1.4900 2.3631 2.3631 3.2915 3.2915 5.0184 5.0184 5.5843 5.5843 5.9371 5.9371 7.4003 7.4003 7.4350 7.4350 10.2209 10.2209 11.2853 11.2853 12.6175 12.6175 13.4430 13.4430 k = 0.5935 0.1513-0.5717 ( 3205 PWs) bands (ev): -6.5574 -6.5574 -6.4141 -6.4141 -5.7514 -5.7514 -5.5897 -5.5897 -5.5111 -5.5111 -4.5942 -4.5942 -3.7587 -3.7587 -3.6941 -3.6941 -3.3362 -3.3362 -1.6290 -1.6290 -1.5137 -1.5137 -1.4936 -1.4936 2.3668 2.3668 3.3040 3.3040 5.0395 5.0395 5.6377 5.6377 5.9770 5.9770 7.4260 7.4260 7.5031 7.5031 10.2917 10.2917 11.3573 11.3573 12.6021 12.6021 13.4814 13.4814 k = 0.5900 0.1504-0.5477 ( 3206 PWs) bands (ev): -6.5499 -6.5499 -6.4147 -6.4147 -5.7478 -5.7478 -5.5899 -5.5899 -5.5138 -5.5138 -4.6296 -4.6296 -3.7600 -3.7600 -3.6990 -3.6990 -3.3715 -3.3715 -1.6295 -1.6295 -1.5149 -1.5149 -1.4970 -1.4970 2.3645 2.3645 3.3191 3.3191 5.0641 5.0641 5.6975 5.6975 6.0184 6.0184 7.4356 7.4356 7.5848 7.5848 10.3655 10.3655 11.4269 11.4269 12.5826 12.5826 13.5211 13.5211 k = 0.5866 0.1495-0.5237 ( 3206 PWs) bands (ev): -6.5424 -6.5424 -6.4153 -6.4153 -5.7439 -5.7439 -5.5900 -5.5900 -5.5165 -5.5165 -4.6644 -4.6644 -3.7615 -3.7615 -3.7045 -3.7045 -3.4065 -3.4065 -1.6301 -1.6301 -1.5161 -1.5161 -1.5002 -1.5002 2.3566 2.3566 3.3359 3.3359 5.0935 5.0935 5.7628 5.7628 6.0612 6.0612 7.4435 7.4435 7.6649 7.6649 10.4422 10.4422 11.4919 11.4919 12.5616 12.5616 13.5617 13.5617 k = 0.5831 0.1486-0.4997 ( 3210 PWs) bands (ev): -6.5349 -6.5349 -6.4159 -6.4159 -5.7398 -5.7398 -5.5900 -5.5900 -5.5193 -5.5193 -4.6985 -4.6985 -3.7630 -3.7630 -3.7107 -3.7107 -3.4411 -3.4411 -1.6308 -1.6308 -1.5175 -1.5175 -1.5029 -1.5029 2.3439 2.3439 3.3533 3.3533 5.1288 5.1288 5.8328 5.8328 6.1054 6.1054 7.4506 7.4506 7.7419 7.7419 10.5209 10.5209 11.5495 11.5495 12.5429 12.5429 13.6026 13.6026 k = 0.5796 0.1477-0.4756 ( 3208 PWs) bands (ev): -6.5275 -6.5275 -6.4165 -6.4165 -5.7355 -5.7355 -5.5899 -5.5899 -5.5221 -5.5221 -4.7317 -4.7317 -3.7646 -3.7646 -3.7179 -3.7179 -3.4747 -3.4747 -1.6317 -1.6317 -1.5192 -1.5192 -1.5051 -1.5051 2.3272 2.3272 3.3700 3.3700 5.1710 5.1710 5.9065 5.9065 6.1508 6.1508 7.4570 7.4570 7.8152 7.8152 10.6006 10.6006 11.5963 11.5963 12.5313 12.5313 13.6419 13.6419 k = 0.5762 0.1469-0.4516 ( 3210 PWs) bands (ev): -6.5202 -6.5202 -6.4171 -6.4171 -5.7309 -5.7309 -5.5898 -5.5898 -5.5250 -5.5250 -4.7640 -4.7640 -3.7665 -3.7665 -3.7264 -3.7264 -3.5067 -3.5067 -1.6326 -1.6326 -1.5212 -1.5212 -1.5067 -1.5067 2.3075 2.3075 3.3851 3.3851 5.2207 5.2207 5.9832 5.9832 6.1976 6.1976 7.4626 7.4626 7.8844 7.8844 10.6795 10.6795 11.6296 11.6296 12.5311 12.5311 13.6742 13.6742 k = 0.5727 0.1460-0.4276 ( 3212 PWs) bands (ev): -6.5131 -6.5131 -6.4177 -6.4177 -5.7262 -5.7262 -5.5895 -5.5895 -5.5279 -5.5279 -4.7952 -4.7952 -3.7688 -3.7688 -3.7364 -3.7364 -3.5364 -3.5364 -1.6336 -1.6336 -1.5237 -1.5237 -1.5076 -1.5076 2.2854 2.2854 3.3980 3.3980 5.2781 5.2781 6.0621 6.0621 6.2457 6.2457 7.4674 7.4674 7.9492 7.9492 10.7547 10.7547 11.6489 11.6489 12.5456 12.5456 13.6790 13.6790 k = 0.5693 0.1451-0.4036 ( 3214 PWs) bands (ev): -6.5062 -6.5062 -6.4184 -6.4184 -5.7214 -5.7214 -5.5891 -5.5891 -5.5309 -5.5309 -4.8253 -4.8253 -3.7724 -3.7724 -3.7478 -3.7478 -3.5632 -3.5632 -1.6348 -1.6348 -1.5264 -1.5264 -1.5080 -1.5080 2.2616 2.2616 3.4082 3.4082 5.3433 5.3433 6.1422 6.1422 6.2955 6.2955 7.4713 7.4713 8.0095 8.0095 10.8219 10.8219 11.6577 11.6577 12.5747 12.5747 13.6264 13.6264 k = 0.5658 0.1442-0.3796 ( 3216 PWs) bands (ev): -6.4996 -6.4996 -6.4190 -6.4190 -5.7165 -5.7165 -5.5885 -5.5885 -5.5338 -5.5338 -4.8541 -4.8541 -3.7799 -3.7799 -3.7584 -3.7584 -3.5864 -3.5864 -1.6360 -1.6360 -1.5293 -1.5293 -1.5080 -1.5080 2.2368 2.2368 3.4155 3.4155 5.4160 5.4160 6.2222 6.2222 6.3474 6.3474 7.4742 7.4742 8.0653 8.0653 10.8743 10.8743 11.6640 11.6640 12.6143 12.6143 13.5448 13.5448 k = 0.5623 0.1433-0.3556 ( 3214 PWs) bands (ev): -6.4932 -6.4932 -6.4196 -6.4196 -5.7114 -5.7114 -5.5878 -5.5878 -5.5368 -5.5368 -4.8815 -4.8815 -3.7948 -3.7948 -3.7647 -3.7647 -3.6056 -3.6056 -1.6373 -1.6373 -1.5322 -1.5322 -1.5076 -1.5076 2.2114 2.2114 3.4199 3.4199 5.4958 5.4958 6.3002 6.3002 6.4028 6.4028 7.4761 7.4761 8.1166 8.1166 10.9043 10.9043 11.6787 11.6787 12.6569 12.6569 13.4643 13.4643 k = 0.5589 0.1425-0.3315 ( 3210 PWs) bands (ev): -6.4871 -6.4871 -6.4201 -6.4201 -5.7064 -5.7064 -5.5869 -5.5869 -5.5397 -5.5397 -4.9075 -4.9075 -3.8157 -3.8157 -3.7680 -3.7680 -3.6210 -3.6210 -1.6387 -1.6387 -1.5351 -1.5351 -1.5070 -1.5070 2.1860 2.1860 3.4215 3.4215 5.5821 5.5821 6.3734 6.3734 6.4637 6.4637 7.4767 7.4767 8.1634 8.1634 10.9054 10.9054 11.7117 11.7117 12.6918 12.6918 13.3997 13.3997 k = 0.5554 0.1416-0.3075 ( 3215 PWs) bands (ev): -6.4813 -6.4813 -6.4207 -6.4207 -5.7014 -5.7014 -5.5858 -5.5858 -5.5426 -5.5426 -4.9321 -4.9321 -3.8399 -3.8399 -3.7703 -3.7703 -3.6331 -3.6331 -1.6401 -1.6401 -1.5378 -1.5378 -1.5063 -1.5063 2.1607 2.1607 3.4208 3.4208 5.6742 5.6742 6.4393 6.4393 6.5321 6.5321 7.4762 7.4762 8.2059 8.2059 10.8764 10.8764 11.7666 11.7666 12.7062 12.7062 13.3634 13.3634 k = 0.5519 0.1407-0.2835 ( 3217 PWs) bands (ev): -6.4760 -6.4760 -6.4211 -6.4211 -5.6965 -5.6965 -5.5844 -5.5844 -5.5455 -5.5455 -4.9551 -4.9551 -3.8660 -3.8660 -3.7721 -3.7721 -3.6425 -3.6425 -1.6416 -1.6416 -1.5405 -1.5405 -1.5055 -1.5055 2.1360 2.1360 3.4179 3.4179 5.7712 5.7712 6.4982 6.4982 6.6068 6.6068 7.4743 7.4743 8.2441 8.2441 10.8217 10.8217 11.8409 11.8409 12.6915 12.6915 13.3633 13.3633 k = 0.5485 0.1398-0.2595 ( 3219 PWs) bands (ev): -6.4710 -6.4710 -6.4216 -6.4216 -5.6919 -5.6919 -5.5829 -5.5829 -5.5482 -5.5482 -4.9766 -4.9766 -3.8930 -3.8930 -3.7737 -3.7737 -3.6499 -3.6499 -1.6432 -1.6432 -1.5431 -1.5431 -1.5045 -1.5045 2.1121 2.1121 3.4134 3.4134 5.8723 5.8723 6.5525 6.5525 6.6847 6.6847 7.4710 7.4710 8.2783 8.2783 10.7480 10.7480 11.9282 11.9282 12.6504 12.6504 13.3964 13.3964 k = 0.5450 0.1389-0.2355 ( 3217 PWs) bands (ev): -6.4664 -6.4664 -6.4219 -6.4219 -5.6874 -5.6874 -5.5810 -5.5810 -5.5509 -5.5509 -4.9965 -4.9965 -3.9201 -3.9201 -3.7751 -3.7751 -3.6558 -3.6558 -1.6447 -1.6447 -1.5455 -1.5455 -1.5035 -1.5035 2.0891 2.0891 3.4076 3.4076 5.9766 5.9766 6.6041 6.6041 6.7632 6.7632 7.4663 7.4663 8.3087 8.3087 10.6611 10.6611 12.0205 12.0205 12.5954 12.5954 13.4517 13.4517 k = 0.5416 0.1380-0.2114 ( 3212 PWs) bands (ev): -6.4623 -6.4623 -6.4221 -6.4221 -5.6833 -5.6833 -5.5790 -5.5790 -5.5534 -5.5534 -5.0148 -5.0148 -3.9469 -3.9469 -3.7764 -3.7764 -3.6605 -3.6605 -1.6462 -1.6462 -1.5477 -1.5477 -1.5025 -1.5025 2.0674 2.0674 3.4008 3.4008 6.0831 6.0831 6.6539 6.6539 6.8405 6.8405 7.4601 7.4601 8.3354 8.3354 10.5660 10.5660 12.1054 12.1054 12.5451 12.5451 13.5175 13.5175 k = 0.5381 0.1372-0.1874 ( 3219 PWs) bands (ev): -6.4587 -6.4587 -6.4222 -6.4222 -5.6796 -5.6796 -5.5767 -5.5767 -5.5559 -5.5559 -5.0315 -5.0315 -3.9727 -3.9727 -3.7776 -3.7776 -3.6643 -3.6643 -1.6477 -1.6477 -1.5497 -1.5497 -1.5015 -1.5015 2.0469 2.0469 3.3934 3.3934 6.1910 6.1910 6.7022 6.7022 6.9153 6.9153 7.4523 7.4523 8.3586 8.3586 10.4660 10.4660 12.1596 12.1596 12.5269 12.5269 13.5849 13.5849 k = 0.5346 0.1363-0.1634 ( 3222 PWs) bands (ev): -6.4555 -6.4555 -6.4223 -6.4223 -5.6763 -5.6763 -5.5742 -5.5742 -5.5581 -5.5581 -5.0466 -5.0466 -3.9974 -3.9974 -3.7788 -3.7788 -3.6674 -3.6674 -1.6491 -1.6491 -1.5516 -1.5516 -1.5005 -1.5005 2.0279 2.0279 3.3858 3.3858 6.2990 6.2990 6.7493 6.7493 6.9866 6.9866 7.4429 7.4429 8.3785 8.3785 10.3640 10.3640 12.1589 12.1589 12.5673 12.5673 13.6472 13.6472 k = 0.5312 0.1354-0.1394 ( 3226 PWs) bands (ev): -6.4528 -6.4528 -6.4222 -6.4222 -5.6735 -5.6735 -5.5716 -5.5716 -5.5602 -5.5602 -5.0602 -5.0602 -4.0205 -4.0205 -3.7798 -3.7798 -3.6700 -3.6700 -1.6505 -1.6505 -1.5533 -1.5533 -1.4995 -1.4995 2.0105 2.0105 3.3781 3.3781 6.4061 6.4061 6.7950 6.7950 7.0533 7.0533 7.4321 7.4321 8.3953 8.3953 10.2624 10.2624 12.1156 12.1156 12.6555 12.6555 13.6998 13.6998 k = 0.5277 0.1345-0.1154 ( 3228 PWs) bands (ev): -6.4505 -6.4505 -6.4220 -6.4220 -5.6710 -5.6710 -5.5690 -5.5690 -5.5620 -5.5620 -5.0722 -5.0722 -4.0419 -4.0419 -3.7808 -3.7808 -3.6722 -3.6722 -1.6518 -1.6518 -1.5548 -1.5548 -1.4986 -1.4986 1.9947 1.9947 3.3706 3.3706 6.5109 6.5109 6.8392 6.8392 7.1145 7.1145 7.4199 7.4199 8.4093 8.4093 10.1631 10.1631 12.0556 12.0556 12.7664 12.7664 13.7399 13.7399 k = 0.5242 0.1336-0.0914 ( 3231 PWs) bands (ev): -6.4486 -6.4486 -6.4217 -6.4217 -5.6690 -5.6690 -5.5665 -5.5665 -5.5634 -5.5634 -5.0827 -5.0827 -4.0612 -4.0612 -3.7816 -3.7816 -3.6740 -3.6740 -1.6529 -1.6529 -1.5561 -1.5561 -1.4978 -1.4978 1.9806 1.9806 3.3636 3.3636 6.6119 6.6119 6.8819 6.8819 7.1689 7.1689 7.4063 7.4063 8.4206 8.4206 10.0682 10.0682 11.9923 11.9923 12.8868 12.8868 13.7669 13.7669 k = 0.5208 0.1327-0.0673 ( 3235 PWs) bands (ev): -6.4472 -6.4472 -6.4213 -6.4213 -5.6674 -5.6674 -5.5659 -5.5659 -5.5629 -5.5629 -5.0917 -5.0917 -4.0784 -4.0784 -3.7824 -3.7824 -3.6754 -3.6754 -1.6540 -1.6540 -1.5573 -1.5573 -1.4971 -1.4971 1.9682 1.9682 3.3572 3.3572 6.7074 6.7074 6.9231 6.9231 7.2155 7.2155 7.3919 7.3919 8.4296 8.4296 9.9798 9.9798 11.9319 11.9319 13.0109 13.0109 13.7822 13.7822 k = 0.5173 0.1319-0.0433 ( 3231 PWs) bands (ev): -6.4460 -6.4460 -6.4208 -6.4208 -5.6661 -5.6661 -5.5669 -5.5669 -5.5608 -5.5608 -5.0992 -5.0992 -4.0932 -4.0932 -3.7830 -3.7830 -3.6766 -3.6766 -1.6549 -1.6549 -1.5582 -1.5582 -1.4964 -1.4964 1.9577 1.9577 3.3515 3.3515 6.7948 6.7948 6.9626 6.9626 7.2532 7.2532 7.3770 7.3770 8.4365 8.4365 9.8999 9.8999 11.8775 11.8775 13.1351 13.1351 13.7880 13.7880 k = 0.5139 0.1310-0.0193 ( 3227 PWs) bands (ev): -6.4452 -6.4452 -6.4204 -6.4204 -5.6651 -5.6651 -5.5678 -5.5678 -5.5587 -5.5587 -5.1053 -5.1053 -4.1055 -4.1055 -3.7835 -3.7835 -3.6775 -3.6775 -1.6557 -1.6557 -1.5590 -1.5590 -1.4958 -1.4958 1.9491 1.9491 3.3467 3.3467 6.8711 6.8711 7.0010 7.0010 7.2808 7.2808 7.3627 7.3627 8.4417 8.4417 9.8305 9.8305 11.8310 11.8310 13.2571 13.2571 13.7861 13.7861 k = 0.5104 0.1301 0.0047 ( 3227 PWs) bands (ev): -6.4446 -6.4446 -6.4200 -6.4200 -5.6644 -5.6644 -5.5686 -5.5686 -5.5570 -5.5570 -5.1100 -5.1100 -4.1153 -4.1153 -3.7839 -3.7839 -3.6783 -3.6783 -1.6563 -1.6563 -1.5596 -1.5596 -1.4954 -1.4954 1.9423 1.9423 3.3429 3.3429 6.9322 6.9322 7.0387 7.0387 7.2968 7.2968 7.3513 7.3513 8.4453 8.4453 9.7738 9.7738 11.7937 11.7937 13.3743 13.3743 13.7767 13.7767 k = 0.5069 0.1292 0.0287 ( 3224 PWs) bands (ev): -6.4441 -6.4441 -6.4197 -6.4197 -5.6639 -5.6639 -5.5692 -5.5692 -5.5557 -5.5557 -5.1134 -5.1134 -4.1223 -4.1223 -3.7842 -3.7842 -3.6787 -3.6787 -1.6567 -1.6567 -1.5601 -1.5601 -1.4951 -1.4951 1.9375 1.9375 3.3401 3.3401 6.9750 6.9750 7.0741 7.0741 7.3005 7.3005 7.3454 7.3454 8.4477 8.4477 9.7317 9.7317 11.7664 11.7664 13.4835 13.4835 13.7575 13.7575 k = 0.5035 0.1283 0.0528 ( 3228 PWs) bands (ev): -6.4439 -6.4439 -6.4196 -6.4196 -5.6637 -5.6637 -5.5695 -5.5695 -5.5550 -5.5550 -5.1154 -5.1154 -4.1265 -4.1265 -3.7844 -3.7844 -3.6790 -3.6790 -1.6570 -1.6570 -1.5603 -1.5603 -1.4949 -1.4949 1.9346 1.9346 3.3384 3.3384 6.9995 6.9995 7.1011 7.1011 7.2968 7.2968 7.3441 7.3441 8.4491 8.4491 9.7058 9.7058 11.7498 11.7498 13.5799 13.5799 13.7231 13.7231 k = 0.5000 0.1274 0.0768 ( 3222 PWs) bands (ev): -6.4438 -6.4438 -6.4195 -6.4195 -5.6636 -5.6636 -5.5696 -5.5696 -5.5547 -5.5547 -5.1160 -5.1160 -4.1279 -4.1279 -3.7844 -3.7844 -3.6791 -3.6791 -1.6571 -1.6571 -1.5604 -1.5604 -1.4948 -1.4948 1.9336 1.9336 3.3378 3.3378 7.0074 7.0074 7.1115 7.1115 7.2943 7.2943 7.3440 7.3440 8.4495 8.4495 9.6970 9.6970 11.7442 11.7442 13.6438 13.6438 13.6816 13.6816 k = 0.5000-0.9171-0.5524 ( 3206 PWs) bands (ev): -6.6530 -6.6530 -6.4082 -6.4082 -5.7822 -5.7822 -5.5831 -5.5831 -5.4795 -5.4795 -4.1584 -4.1584 -3.7421 -3.7421 -3.5106 -3.5106 -2.9316 -2.9316 -1.6289 -1.6289 -1.4994 -1.4994 -1.4386 -1.4386 2.2022 2.2022 2.9648 2.9648 4.3243 4.3243 5.6078 5.6078 5.7624 5.7624 6.8632 6.8632 7.0945 7.0945 9.0463 9.0463 10.5761 10.5761 12.7805 12.7805 13.4553 13.4553 k = 0.5212-0.9086-0.5473 ( 3210 PWs) bands (ev): -6.6531 -6.6531 -6.4082 -6.4082 -5.7822 -5.7822 -5.5832 -5.5832 -5.4795 -5.4795 -4.1578 -4.1578 -3.7421 -3.7421 -3.5114 -3.5114 -2.9314 -2.9314 -1.6288 -1.6288 -1.4992 -1.4992 -1.4386 -1.4386 2.1990 2.1990 2.9696 2.9696 4.3225 4.3225 5.6070 5.6070 5.7665 5.7665 6.8560 6.8560 7.0959 7.0959 9.0538 9.0538 10.5698 10.5698 12.7820 12.7820 13.4502 13.4502 k = 0.5425-0.9001-0.5422 ( 3215 PWs) bands (ev): -6.6531 -6.6531 -6.4082 -6.4082 -5.7822 -5.7822 -5.5832 -5.5832 -5.4796 -5.4796 -4.1562 -4.1562 -3.7421 -3.7421 -3.5140 -3.5140 -2.9310 -2.9310 -1.6287 -1.6287 -1.4987 -1.4987 -1.4385 -1.4385 2.1898 2.1898 2.9834 2.9834 4.3174 4.3174 5.6047 5.6047 5.7785 5.7785 6.8350 6.8350 7.1000 7.1000 9.0758 9.0758 10.5512 10.5512 12.7859 12.7859 13.4353 13.4353 k = 0.5637-0.8916-0.5371 ( 3216 PWs) bands (ev): -6.6531 -6.6531 -6.4083 -6.4083 -5.7823 -5.7823 -5.5832 -5.5832 -5.4796 -5.4796 -4.1536 -4.1536 -3.7422 -3.7422 -3.5183 -3.5183 -2.9303 -2.9303 -1.6285 -1.6285 -1.4977 -1.4977 -1.4383 -1.4383 2.1754 2.1754 3.0054 3.0054 4.3094 4.3094 5.6010 5.6010 5.7976 5.7976 6.8014 6.8014 7.1068 7.1068 9.1112 9.1112 10.5213 10.5213 12.7905 12.7905 13.4119 13.4119 k = 0.5850-0.8831-0.5319 ( 3212 PWs) bands (ev): -6.6532 -6.6532 -6.4083 -6.4083 -5.7824 -5.7824 -5.5832 -5.5832 -5.4796 -5.4796 -4.1499 -4.1499 -3.7422 -3.7422 -3.5243 -3.5243 -2.9293 -2.9293 -1.6282 -1.6282 -1.4965 -1.4965 -1.4379 -1.4379 2.1567 2.1567 3.0343 3.0343 4.2992 4.2992 5.5960 5.5960 5.8226 5.8226 6.7576 6.7576 7.1159 7.1159 9.1581 9.1581 10.4816 10.4816 12.7931 12.7931 13.3820 13.3820 k = 0.6062-0.8746-0.5268 ( 3219 PWs) bands (ev): -6.6532 -6.6532 -6.4083 -6.4083 -5.7825 -5.7825 -5.5833 -5.5833 -5.4796 -5.4796 -4.1451 -4.1451 -3.7422 -3.7422 -3.5318 -3.5318 -2.9281 -2.9281 -1.6278 -1.6278 -1.4949 -1.4949 -1.4375 -1.4375 2.1351 2.1351 3.0685 3.0685 4.2880 4.2880 5.5898 5.5898 5.8516 5.8516 6.7064 6.7064 7.1273 7.1273 9.2141 9.2141 10.4341 10.4341 12.7905 12.7905 13.3480 13.3480 k = 0.6274-0.8661-0.5217 ( 3217 PWs) bands (ev): -6.6533 -6.6533 -6.4083 -6.4083 -5.7827 -5.7827 -5.5833 -5.5833 -5.4796 -5.4796 -4.1394 -4.1394 -3.7423 -3.7423 -3.5409 -3.5409 -2.9266 -2.9266 -1.6274 -1.6274 -1.4930 -1.4930 -1.4370 -1.4370 2.1115 2.1115 3.1064 3.1064 4.2769 4.2769 5.5827 5.5827 5.8819 5.8819 6.6514 6.6514 7.1406 7.1406 9.2767 9.2767 10.3815 10.3815 12.7797 12.7797 13.3119 13.3119 k = 0.6487-0.8576-0.5166 ( 3217 PWs) bands (ev): -6.6534 -6.6534 -6.4083 -6.4083 -5.7828 -5.7828 -5.5833 -5.5833 -5.4797 -5.4797 -4.1327 -4.1327 -3.7424 -3.7424 -3.5513 -3.5513 -2.9250 -2.9250 -1.6269 -1.6269 -1.4909 -1.4909 -1.4362 -1.4362 2.0870 2.0870 3.1466 3.1466 4.2671 4.2671 5.5748 5.5748 5.9095 5.9095 6.5974 6.5974 7.1556 7.1556 9.3425 9.3425 10.3267 10.3267 12.7584 12.7584 13.2753 13.2753 k = 0.6699-0.8491-0.5115 ( 3219 PWs) bands (ev): -6.6535 -6.6535 -6.4083 -6.4083 -5.7830 -5.7830 -5.5834 -5.5834 -5.4797 -5.4797 -4.1251 -4.1251 -3.7425 -3.7425 -3.5631 -3.5631 -2.9233 -2.9233 -1.6264 -1.6264 -1.4887 -1.4887 -1.4353 -1.4353 2.0622 2.0622 3.1874 3.1874 4.2599 4.2599 5.5662 5.5662 5.9292 5.9292 6.5507 6.5507 7.1720 7.1720 9.4073 9.4073 10.2740 10.2740 12.7256 12.7256 13.2387 13.2387 k = 0.6911-0.8406-0.5063 ( 3227 PWs) bands (ev): -6.6536 -6.6536 -6.4084 -6.4084 -5.7832 -5.7832 -5.5834 -5.5834 -5.4798 -5.4798 -4.1166 -4.1166 -3.7426 -3.7426 -3.5762 -3.5762 -2.9214 -2.9214 -1.6259 -1.6259 -1.4865 -1.4865 -1.4342 -1.4342 2.0379 2.0379 3.2275 3.2275 4.2566 4.2566 5.5570 5.5570 5.9339 5.9339 6.5188 6.5188 7.1893 7.1893 9.4656 9.4656 10.2289 10.2289 12.6819 12.6819 13.2019 13.2019 k = 0.7124-0.8321-0.5012 ( 3225 PWs) bands (ev): -6.6536 -6.6536 -6.4084 -6.4084 -5.7833 -5.7833 -5.5835 -5.5835 -5.4799 -5.4799 -4.1072 -4.1072 -3.7428 -3.7428 -3.5903 -3.5903 -2.9195 -2.9195 -1.6253 -1.6253 -1.4842 -1.4842 -1.4328 -1.4328 2.0145 2.0145 3.2656 3.2656 4.2584 4.2584 5.5473 5.5473 5.9178 5.9178 6.5082 6.5082 7.2074 7.2074 9.5101 9.5101 10.1991 10.1991 12.6286 12.6286 13.1643 13.1643 k = 0.7336-0.8236-0.4961 ( 3218 PWs) bands (ev): -6.6537 -6.6537 -6.4084 -6.4084 -5.7835 -5.7835 -5.5835 -5.5835 -5.4799 -5.4799 -4.0970 -4.0970 -3.7431 -3.7431 -3.6053 -3.6053 -2.9175 -2.9175 -1.6248 -1.6248 -1.4819 -1.4819 -1.4312 -1.4312 1.9925 1.9925 3.3004 3.3004 4.2662 4.2662 5.5371 5.5371 5.8797 5.8797 6.5209 6.5209 7.2257 7.2257 9.5325 9.5325 10.1928 10.1928 12.5674 12.5674 13.1255 13.1255 k = 0.7549-0.8151-0.4910 ( 3217 PWs) bands (ev): -6.6537 -6.6537 -6.4084 -6.4084 -5.7837 -5.7837 -5.5835 -5.5835 -5.4800 -5.4800 -4.0861 -4.0861 -3.7435 -3.7435 -3.6211 -3.6211 -2.9156 -2.9156 -1.6243 -1.6243 -1.4798 -1.4798 -1.4292 -1.4292 1.9720 1.9720 3.3310 3.3310 4.2805 4.2805 5.5261 5.5261 5.8240 5.8240 6.5532 6.5532 7.2440 7.2440 9.5282 9.5282 10.2150 10.2150 12.5000 12.5000 13.0856 13.0856 k = 0.7761-0.8066-0.4859 ( 3210 PWs) bands (ev): -6.6537 -6.6537 -6.4084 -6.4084 -5.7838 -5.7838 -5.5835 -5.5835 -5.4800 -5.4800 -4.0745 -4.0745 -3.7440 -3.7440 -3.6376 -3.6376 -2.9136 -2.9136 -1.6237 -1.6237 -1.4779 -1.4779 -1.4270 -1.4270 1.9534 1.9534 3.3569 3.3569 4.3016 4.3016 5.5139 5.5139 5.7575 5.7575 6.5995 6.5995 7.2618 7.2618 9.4993 9.4993 10.2637 10.2637 12.4276 12.4276 13.0448 13.0448 k = 0.7973-0.7981-0.4808 ( 3207 PWs) bands (ev): -6.6538 -6.6538 -6.4084 -6.4084 -5.7839 -5.7839 -5.5836 -5.5836 -5.4800 -5.4800 -4.0624 -4.0624 -3.7449 -3.7449 -3.6543 -3.6543 -2.9117 -2.9117 -1.6233 -1.6233 -1.4762 -1.4762 -1.4246 -1.4246 1.9368 1.9368 3.3780 3.3780 4.3286 4.3286 5.4986 5.4986 5.6878 5.6878 6.6545 6.6545 7.2789 7.2789 9.4530 9.4530 10.3322 10.3322 12.3511 12.3511 13.0042 13.0042 k = 0.8186-0.7896-0.4756 ( 3208 PWs) bands (ev): -6.6538 -6.6538 -6.4084 -6.4084 -5.7841 -5.7841 -5.5836 -5.5836 -5.4801 -5.4801 -4.0498 -4.0498 -3.7462 -3.7462 -3.6711 -3.6711 -2.9099 -2.9099 -1.6228 -1.6228 -1.4747 -1.4747 -1.4220 -1.4220 1.9225 1.9225 3.3945 3.3945 4.3600 4.3600 5.4763 5.4763 5.6237 5.6237 6.7145 6.7145 7.2949 7.2949 9.3964 9.3964 10.4135 10.4135 12.2714 12.2714 12.9646 12.9646 Writing output data file TlInS2.save init_run : 0.38s CPU 0.54s WALL ( 1 calls) electrons : 170.13s CPU 172.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 170.12s CPU 172.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 316 calls) cegterg : 153.86s CPU 155.32s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 120.47s CPU 122.00s WALL ( 6367 calls) s_psi : 3.78s CPU 3.72s WALL ( 6367 calls) g_psi : 0.12s CPU 0.14s WALL ( 5669 calls) cdiaghg : 34.59s CPU 34.42s WALL ( 5985 calls) cegterg:over : 3.32s CPU 3.43s WALL ( 5669 calls) cegterg:upda : 2.44s CPU 2.66s WALL ( 5669 calls) cegterg:last : 1.46s CPU 1.51s WALL ( 1014 calls) cdiaghg:chol : 1.90s CPU 1.92s WALL ( 5985 calls) cdiaghg:inve : 1.23s CPU 1.22s WALL ( 5985 calls) cdiaghg:para : 1.96s CPU 1.96s WALL ( 11970 calls) Called by h_psi: h_psi:vloc : 112.59s CPU 113.96s WALL ( 6367 calls) h_psi:vnl : 7.74s CPU 7.90s WALL ( 6367 calls) add_vuspsi : 4.08s CPU 4.20s WALL ( 6367 calls) General routines calbec : 3.64s CPU 3.68s WALL ( 6367 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 106.00s CPU 107.28s WALL ( 602820 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.46s WALL ( 632 calls) Parallel routines fft_scatter : 24.82s CPU 25.74s WALL ( 602843 calls) PWSCF : 3m 4.05s CPU 3m25.22s WALL This run was terminated on: 19:59: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=