Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:50:39 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: ./LiVO2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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 72 46 13 1785 899 143 Max 73 47 14 1787 916 145 Sum 2601 1657 485 64293 32665 5175 bravais-lattice index = 14 lattice parameter (alat) = 9.8073 a.u. unit-cell volume = 231.6844 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.807258 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.850554 celldm(5)= 0.850554 celldm(6)= 0.850554 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.850554 0.525887 0.000000 ) a(3) = ( 0.850554 0.241709 0.467048 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.617371 -0.984099 ) b(2) = ( 0.000000 1.901549 -0.984099 ) b(3) = ( 0.000000 0.000000 2.141107 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) V 13.00 50.94150 V( 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= 423 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0076923 -0.0124413 -0.0075700), wk = 0.0023641 k( 3) = ( 0.0153846 -0.0248826 -0.0151400), wk = 0.0023641 k( 4) = ( 0.0230769 -0.0373239 -0.0227100), wk = 0.0023641 k( 5) = ( 0.0307692 -0.0497653 -0.0302800), wk = 0.0023641 k( 6) = ( 0.0384615 -0.0622066 -0.0378500), wk = 0.0023641 k( 7) = ( 0.0461539 -0.0746479 -0.0454199), wk = 0.0023641 k( 8) = ( 0.0538462 -0.0870892 -0.0529899), wk = 0.0023641 k( 9) = ( 0.0615385 -0.0995305 -0.0605599), wk = 0.0023641 k( 10) = ( 0.0692308 -0.1119719 -0.0681299), wk = 0.0023641 k( 11) = ( 0.0769231 -0.1244132 -0.0756999), wk = 0.0023641 k( 12) = ( 0.0846154 -0.1368545 -0.0832699), wk = 0.0023641 k( 13) = ( 0.0923077 -0.1492958 -0.0908399), wk = 0.0023641 k( 14) = ( 0.1000000 -0.1617371 -0.0984099), wk = 0.0023641 k( 15) = ( 0.1076923 -0.1741784 -0.1059799), wk = 0.0023641 k( 16) = ( 0.1153846 -0.1866198 -0.1135499), wk = 0.0023641 k( 17) = ( 0.1230769 -0.1990611 -0.1211198), wk = 0.0023641 k( 18) = ( 0.1307692 -0.2115024 -0.1286898), wk = 0.0023641 k( 19) = ( 0.1384615 -0.2239437 -0.1362598), wk = 0.0023641 k( 20) = ( 0.1461539 -0.2363850 -0.1438298), wk = 0.0023641 k( 21) = ( 0.1538461 -0.2488263 -0.1513998), wk = 0.0023641 k( 22) = ( 0.1615385 -0.2612677 -0.1589698), wk = 0.0023641 k( 23) = ( 0.1692308 -0.2737090 -0.1665398), wk = 0.0023641 k( 24) = ( 0.1769231 -0.2861503 -0.1741098), wk = 0.0023641 k( 25) = ( 0.1846154 -0.2985916 -0.1816798), wk = 0.0023641 k( 26) = ( 0.1923077 -0.3110329 -0.1892497), wk = 0.0023641 k( 27) = ( 0.2000000 -0.3234742 -0.1968197), wk = 0.0023641 k( 28) = ( 0.2076923 -0.3359156 -0.2043897), wk = 0.0023641 k( 29) = ( 0.2153846 -0.3483569 -0.2119597), wk = 0.0023641 k( 30) = ( 0.2230769 -0.3607982 -0.2195297), wk = 0.0023641 k( 31) = ( 0.2307692 -0.3732395 -0.2270997), wk = 0.0023641 k( 32) = ( 0.2384615 -0.3856808 -0.2346697), wk = 0.0023641 k( 33) = ( 0.2461539 -0.3981222 -0.2422397), wk = 0.0023641 k( 34) = ( 0.2538461 -0.4105635 -0.2498097), wk = 0.0023641 k( 35) = ( 0.2615385 -0.4230048 -0.2573797), wk = 0.0023641 k( 36) = ( 0.2692308 -0.4354461 -0.2649497), wk = 0.0023641 k( 37) = ( 0.2769231 -0.4478874 -0.2725196), wk = 0.0023641 k( 38) = ( 0.2846154 -0.4603287 -0.2800896), wk = 0.0023641 k( 39) = ( 0.2923077 -0.4727700 -0.2876596), wk = 0.0023641 k( 40) = ( 0.3000000 -0.4852114 -0.2952296), wk = 0.0023641 k( 41) = ( 0.3076923 -0.4976527 -0.3027996), wk = 0.0023641 k( 42) = ( 0.3153846 -0.5100940 -0.3103696), wk = 0.0023641 k( 43) = ( 0.3230769 -0.5225353 -0.3179396), wk = 0.0023641 k( 44) = ( 0.3307692 -0.5349766 -0.3255096), wk = 0.0023641 k( 45) = ( 0.3384615 -0.5474180 -0.3330796), wk = 0.0023641 k( 46) = ( 0.3461538 -0.5598593 -0.3406496), wk = 0.0023641 k( 47) = ( 0.3538462 -0.5723006 -0.3482195), wk = 0.0023641 k( 48) = ( 0.3615385 -0.5847419 -0.3557895), wk = 0.0023641 k( 49) = ( 0.3692308 -0.5971832 -0.3633595), wk = 0.0023641 k( 50) = ( 0.3769231 -0.6096245 -0.3709295), wk = 0.0023641 k( 51) = ( 0.3846154 -0.6220658 -0.3784995), wk = 0.0023641 k( 52) = ( 0.3923077 -0.6345072 -0.3860695), wk = 0.0023641 k( 53) = ( 0.4000000 -0.6469485 -0.3936395), wk = 0.0023641 k( 54) = ( 0.4076923 -0.6593898 -0.4012095), wk = 0.0023641 k( 55) = ( 0.4153846 -0.6718311 -0.4087795), wk = 0.0023641 k( 56) = ( 0.4230769 -0.6842724 -0.4163495), wk = 0.0023641 k( 57) = ( 0.4307692 -0.6967138 -0.4239194), wk = 0.0023641 k( 58) = ( 0.4384615 -0.7091551 -0.4314894), wk = 0.0023641 k( 59) = ( 0.4461539 -0.7215964 -0.4390594), wk = 0.0023641 k( 60) = ( 0.4538462 -0.7340377 -0.4466294), wk = 0.0023641 k( 61) = ( 0.4615385 -0.7464790 -0.4541994), wk = 0.0023641 k( 62) = ( 0.4692308 -0.7589203 -0.4617694), wk = 0.0023641 k( 63) = ( 0.4769231 -0.7713617 -0.4693394), wk = 0.0023641 k( 64) = ( 0.4846154 -0.7838030 -0.4769094), wk = 0.0023641 k( 65) = ( 0.4923077 -0.7962443 -0.4844794), wk = 0.0023641 k( 66) = ( 0.5000000 -0.8086856 -0.4920494), wk = 0.0023641 k( 67) = ( 0.5000000 -0.8086856 -0.4920494), wk = 0.0023641 k( 68) = ( 0.5000000 -0.8001004 -0.5061592), wk = 0.0023641 k( 69) = ( 0.5000000 -0.7915152 -0.5202691), wk = 0.0023641 k( 70) = ( 0.5000000 -0.7829299 -0.5343789), wk = 0.0023641 k( 71) = ( 0.5000000 -0.7743447 -0.5484888), wk = 0.0023641 k( 72) = ( 0.5000000 -0.7657595 -0.5625987), wk = 0.0023641 k( 73) = ( 0.5000000 -0.7571743 -0.5767085), wk = 0.0023641 k( 74) = ( 0.5000000 -0.7485890 -0.5908184), wk = 0.0023641 k( 75) = ( 0.5000000 -0.7400038 -0.6049282), wk = 0.0023641 k( 76) = ( 0.5000000 -0.7314186 -0.6190381), wk = 0.0023641 k( 77) = ( 0.5000000 -0.7228334 -0.6331480), wk = 0.0023641 k( 78) = ( 0.5000000 -0.7142482 -0.6472578), wk = 0.0023641 k( 79) = ( 0.5000000 -0.7056629 -0.6613677), wk = 0.0023641 k( 80) = ( 0.5000000 -0.6970777 -0.6754775), wk = 0.0023641 k( 81) = ( 0.5000000 -0.6884925 -0.6895874), wk = 0.0023641 k( 82) = ( 0.5000000 -0.6799073 -0.7036972), wk = 0.0023641 k( 83) = ( 0.5000000 -0.6713220 -0.7178071), wk = 0.0023641 k( 84) = ( 0.5000000 -0.6627368 -0.7319170), wk = 0.0023641 k( 85) = ( 0.5000000 -0.6541516 -0.7460268), wk = 0.0023641 k( 86) = ( 0.5000000 -0.6455664 -0.7601367), wk = 0.0023641 k( 87) = ( 0.5000000 -0.6369811 -0.7742465), wk = 0.0023641 k( 88) = ( 0.5000000 -0.6283959 -0.7883564), wk = 0.0023641 k( 89) = ( 0.5000000 -0.6198107 -0.8024663), wk = 0.0023641 k( 90) = ( 0.5000000 -0.6112255 -0.8165761), wk = 0.0023641 k( 91) = ( 0.5000000 -0.6026402 -0.8306860), wk = 0.0023641 k( 92) = ( 0.5000000 -0.5940550 -0.8447958), wk = 0.0023641 k( 93) = ( 0.5000000 -0.5854698 -0.8589057), wk = 0.0023641 k( 94) = ( 0.5000000 -0.5768846 -0.8730155), wk = 0.0023641 k( 95) = ( 0.5000000 -0.5682993 -0.8871254), wk = 0.0023641 k( 96) = ( 0.5000000 -0.5597141 -0.9012353), wk = 0.0023641 k( 97) = ( 0.5000000 -0.5511289 -0.9153451), wk = 0.0023641 k( 98) = ( 0.5000000 -0.5425437 -0.9294550), wk = 0.0023641 k( 99) = ( 0.5000000 -0.5339584 -0.9435649), wk = 0.0023641 k( 100) = ( 0.5000000 -0.5253732 -0.9576747), wk = 0.0023641 k( 101) = ( 0.5000000 -0.5167880 -0.9717846), wk = 0.0023641 k( 102) = ( 0.5000000 -0.5082028 -0.9858944), wk = 0.0023641 k( 103) = ( 0.5000000 -0.4996175 -1.0000043), wk = 0.0023641 k( 104) = ( 0.5000000 -0.4910323 -1.0141142), wk = 0.0023641 k( 105) = ( 0.5000000 -0.4824471 -1.0282240), wk = 0.0023641 k( 106) = ( 0.5000000 -0.4738619 -1.0423339), wk = 0.0023641 k( 107) = ( 0.5000000 -0.4652766 -1.0564437), wk = 0.0023641 k( 108) = ( 0.5000000 -0.4566914 -1.0705536), wk = 0.0023641 k( 109) = ( 0.8148908 -0.3672064 -0.8976438), wk = 0.0023641 k( 110) = ( 0.8103924 -0.3599307 -0.8835853), wk = 0.0023641 k( 111) = ( 0.8058940 -0.3526551 -0.8695267), wk = 0.0023641 k( 112) = ( 0.8013955 -0.3453794 -0.8554682), wk = 0.0023641 k( 113) = ( 0.7968971 -0.3381038 -0.8414096), wk = 0.0023641 k( 114) = ( 0.7923986 -0.3308281 -0.8273511), wk = 0.0023641 k( 115) = ( 0.7879002 -0.3235525 -0.8132925), wk = 0.0023641 k( 116) = ( 0.7834018 -0.3162768 -0.7992340), wk = 0.0023641 k( 117) = ( 0.7789033 -0.3090012 -0.7851754), wk = 0.0023641 k( 118) = ( 0.7744049 -0.3017255 -0.7711169), wk = 0.0023641 k( 119) = ( 0.7699064 -0.2944499 -0.7570583), wk = 0.0023641 k( 120) = ( 0.7654080 -0.2871742 -0.7429997), wk = 0.0023641 k( 121) = ( 0.7609096 -0.2798986 -0.7289412), wk = 0.0023641 k( 122) = ( 0.7564111 -0.2726229 -0.7148826), wk = 0.0023641 k( 123) = ( 0.7519127 -0.2653473 -0.7008241), wk = 0.0023641 k( 124) = ( 0.7474142 -0.2580716 -0.6867655), wk = 0.0023641 k( 125) = ( 0.7429158 -0.2507960 -0.6727070), wk = 0.0023641 k( 126) = ( 0.7384173 -0.2435203 -0.6586484), wk = 0.0023641 k( 127) = ( 0.7339189 -0.2362447 -0.6445899), wk = 0.0023641 k( 128) = ( 0.7294205 -0.2289690 -0.6305313), wk = 0.0023641 k( 129) = ( 0.7249220 -0.2216934 -0.6164728), wk = 0.0023641 k( 130) = ( 0.7204236 -0.2144177 -0.6024142), wk = 0.0023641 k( 131) = ( 0.7159252 -0.2071421 -0.5883557), wk = 0.0023641 k( 132) = ( 0.7114267 -0.1998664 -0.5742971), wk = 0.0023641 k( 133) = ( 0.7069283 -0.1925908 -0.5602386), wk = 0.0023641 k( 134) = ( 0.7024298 -0.1853152 -0.5461800), wk = 0.0023641 k( 135) = ( 0.6979314 -0.1780395 -0.5321215), wk = 0.0023641 k( 136) = ( 0.6934330 -0.1707639 -0.5180629), wk = 0.0023641 k( 137) = ( 0.6889345 -0.1634882 -0.5040043), wk = 0.0023641 k( 138) = ( 0.6844361 -0.1562125 -0.4899458), wk = 0.0023641 k( 139) = ( 0.6799376 -0.1489369 -0.4758872), wk = 0.0023641 k( 140) = ( 0.6754392 -0.1416613 -0.4618287), wk = 0.0023641 k( 141) = ( 0.6709407 -0.1343856 -0.4477701), wk = 0.0023641 k( 142) = ( 0.6664423 -0.1271100 -0.4337116), wk = 0.0023641 k( 143) = ( 0.6619439 -0.1198343 -0.4196530), wk = 0.0023641 k( 144) = ( 0.6574454 -0.1125587 -0.4055945), wk = 0.0023641 k( 145) = ( 0.6529470 -0.1052830 -0.3915359), wk = 0.0023641 k( 146) = ( 0.6484485 -0.0980074 -0.3774774), wk = 0.0023641 k( 147) = ( 0.6439501 -0.0907317 -0.3634188), wk = 0.0023641 k( 148) = ( 0.6394517 -0.0834561 -0.3493603), wk = 0.0023641 k( 149) = ( 0.6349532 -0.0761804 -0.3353017), wk = 0.0023641 k( 150) = ( 0.6304548 -0.0689048 -0.3212432), wk = 0.0023641 k( 151) = ( 0.6259563 -0.0616291 -0.3071846), wk = 0.0023641 k( 152) = ( 0.6214579 -0.0543535 -0.2931261), wk = 0.0023641 k( 153) = ( 0.6169595 -0.0470778 -0.2790675), wk = 0.0023641 k( 154) = ( 0.6124610 -0.0398022 -0.2650089), wk = 0.0023641 k( 155) = ( 0.6079626 -0.0325265 -0.2509504), wk = 0.0023641 k( 156) = ( 0.6034641 -0.0252509 -0.2368918), wk = 0.0023641 k( 157) = ( 0.5989657 -0.0179752 -0.2228333), wk = 0.0023641 k( 158) = ( 0.5944673 -0.0106996 -0.2087747), wk = 0.0023641 k( 159) = ( 0.5899688 -0.0034239 -0.1947162), wk = 0.0023641 k( 160) = ( 0.5854704 0.0038517 -0.1806576), wk = 0.0023641 k( 161) = ( 0.5809719 0.0111274 -0.1665991), wk = 0.0023641 k( 162) = ( 0.5764735 0.0184030 -0.1525405), wk = 0.0023641 k( 163) = ( 0.5719751 0.0256787 -0.1384820), wk = 0.0023641 k( 164) = ( 0.5674766 0.0329543 -0.1244234), wk = 0.0023641 k( 165) = ( 0.5629782 0.0402299 -0.1103649), wk = 0.0023641 k( 166) = ( 0.5584797 0.0475056 -0.0963063), wk = 0.0023641 k( 167) = ( 0.5539813 0.0547812 -0.0822478), wk = 0.0023641 k( 168) = ( 0.5494828 0.0620569 -0.0681892), wk = 0.0023641 k( 169) = ( 0.5449844 0.0693325 -0.0541307), wk = 0.0023641 k( 170) = ( 0.5404860 0.0766082 -0.0400721), wk = 0.0023641 k( 171) = ( 0.5359875 0.0838839 -0.0260135), wk = 0.0023641 k( 172) = ( 0.5314891 0.0911595 -0.0119550), wk = 0.0023641 k( 173) = ( 0.5269906 0.0984351 0.0021036), wk = 0.0023641 k( 174) = ( 0.5224922 0.1057108 0.0161621), wk = 0.0023641 k( 175) = ( 0.5179938 0.1129864 0.0302207), wk = 0.0023641 k( 176) = ( 0.5134953 0.1202621 0.0442792), wk = 0.0023641 k( 177) = ( 0.5089969 0.1275377 0.0583378), wk = 0.0023641 k( 178) = ( 0.5044984 0.1348134 0.0723963), wk = 0.0023641 k( 179) = ( 0.5000000 0.1420890 0.0864549), wk = 0.0023641 k( 180) = ( 0.5000000 0.1420890 0.0864549), wk = 0.0023641 k( 181) = ( 0.4843750 0.1376487 0.0837532), wk = 0.0023641 k( 182) = ( 0.4687500 0.1332085 0.0810514), wk = 0.0023641 k( 183) = ( 0.4531250 0.1287682 0.0783497), wk = 0.0023641 k( 184) = ( 0.4375000 0.1243279 0.0756480), wk = 0.0023641 k( 185) = ( 0.4218750 0.1198876 0.0729463), wk = 0.0023641 k( 186) = ( 0.4062500 0.1154473 0.0702446), wk = 0.0023641 k( 187) = ( 0.3906250 0.1110071 0.0675429), wk = 0.0023641 k( 188) = ( 0.3750000 0.1065668 0.0648412), wk = 0.0023641 k( 189) = ( 0.3593750 0.1021265 0.0621394), wk = 0.0023641 k( 190) = ( 0.3437500 0.0976862 0.0594377), wk = 0.0023641 k( 191) = ( 0.3281250 0.0932459 0.0567360), wk = 0.0023641 k( 192) = ( 0.3125000 0.0888056 0.0540343), wk = 0.0023641 k( 193) = ( 0.2968750 0.0843654 0.0513326), wk = 0.0023641 k( 194) = ( 0.2812500 0.0799251 0.0486309), wk = 0.0023641 k( 195) = ( 0.2656250 0.0754848 0.0459292), wk = 0.0023641 k( 196) = ( 0.2500000 0.0710445 0.0432274), wk = 0.0023641 k( 197) = ( 0.2343750 0.0666042 0.0405257), wk = 0.0023641 k( 198) = ( 0.2187500 0.0621640 0.0378240), wk = 0.0023641 k( 199) = ( 0.2031250 0.0577237 0.0351223), wk = 0.0023641 k( 200) = ( 0.1875000 0.0532834 0.0324206), wk = 0.0023641 k( 201) = ( 0.1718750 0.0488431 0.0297189), wk = 0.0023641 k( 202) = ( 0.1562500 0.0444028 0.0270171), wk = 0.0023641 k( 203) = ( 0.1406250 0.0399625 0.0243154), wk = 0.0023641 k( 204) = ( 0.1250000 0.0355223 0.0216137), wk = 0.0023641 k( 205) = ( 0.1093750 0.0310820 0.0189120), wk = 0.0023641 k( 206) = ( 0.0937500 0.0266417 0.0162103), wk = 0.0023641 k( 207) = ( 0.0781250 0.0222014 0.0135086), wk = 0.0023641 k( 208) = ( 0.0625000 0.0177611 0.0108069), wk = 0.0023641 k( 209) = ( 0.0468750 0.0133208 0.0081051), wk = 0.0023641 k( 210) = ( 0.0312500 0.0088806 0.0054034), wk = 0.0023641 k( 211) = ( 0.0156250 0.0044403 0.0027017), wk = 0.0023641 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 214) = ( 0.0045073 -0.0072900 -0.0140862), wk = 0.0023641 k( 215) = ( 0.0090146 -0.0145799 -0.0281724), wk = 0.0023641 k( 216) = ( 0.0135219 -0.0218699 -0.0422587), wk = 0.0023641 k( 217) = ( 0.0180292 -0.0291599 -0.0563449), wk = 0.0023641 k( 218) = ( 0.0225365 -0.0364499 -0.0704312), wk = 0.0023641 k( 219) = ( 0.0270438 -0.0437398 -0.0845174), wk = 0.0023641 k( 220) = ( 0.0315511 -0.0510298 -0.0986036), wk = 0.0023641 k( 221) = ( 0.0360584 -0.0583198 -0.1126899), wk = 0.0023641 k( 222) = ( 0.0405657 -0.0656097 -0.1267761), wk = 0.0023641 k( 223) = ( 0.0450730 -0.0728997 -0.1408623), wk = 0.0023641 k( 224) = ( 0.0495803 -0.0801897 -0.1549486), wk = 0.0023641 k( 225) = ( 0.0540876 -0.0874797 -0.1690348), wk = 0.0023641 k( 226) = ( 0.0585949 -0.0947696 -0.1831210), wk = 0.0023641 k( 227) = ( 0.0631022 -0.1020596 -0.1972072), wk = 0.0023641 k( 228) = ( 0.0676095 -0.1093496 -0.2112935), wk = 0.0023641 k( 229) = ( 0.0721167 -0.1166396 -0.2253797), wk = 0.0023641 k( 230) = ( 0.0766240 -0.1239295 -0.2394659), wk = 0.0023641 k( 231) = ( 0.0811314 -0.1312195 -0.2535522), wk = 0.0023641 k( 232) = ( 0.0856386 -0.1385095 -0.2676384), wk = 0.0023641 k( 233) = ( 0.0901459 -0.1457994 -0.2817246), wk = 0.0023641 k( 234) = ( 0.0946532 -0.1530894 -0.2958109), wk = 0.0023641 k( 235) = ( 0.0991605 -0.1603794 -0.3098971), wk = 0.0023641 k( 236) = ( 0.1036678 -0.1676694 -0.3239833), wk = 0.0023641 k( 237) = ( 0.1081751 -0.1749593 -0.3380696), wk = 0.0023641 k( 238) = ( 0.1126824 -0.1822493 -0.3521558), wk = 0.0023641 k( 239) = ( 0.1171897 -0.1895393 -0.3662420), wk = 0.0023641 k( 240) = ( 0.1216970 -0.1968293 -0.3803282), wk = 0.0023641 k( 241) = ( 0.1262043 -0.2041192 -0.3944145), wk = 0.0023641 k( 242) = ( 0.1307116 -0.2114092 -0.4085007), wk = 0.0023641 k( 243) = ( 0.1352189 -0.2186992 -0.4225869), wk = 0.0023641 k( 244) = ( 0.1397262 -0.2259892 -0.4366732), wk = 0.0023641 k( 245) = ( 0.1442335 -0.2332791 -0.4507594), wk = 0.0023641 k( 246) = ( 0.1487408 -0.2405691 -0.4648456), wk = 0.0023641 k( 247) = ( 0.1532481 -0.2478591 -0.4789319), wk = 0.0023641 k( 248) = ( 0.1577554 -0.2551490 -0.4930181), wk = 0.0023641 k( 249) = ( 0.1622627 -0.2624390 -0.5071043), wk = 0.0023641 k( 250) = ( 0.1667700 -0.2697290 -0.5211906), wk = 0.0023641 k( 251) = ( 0.1712773 -0.2770190 -0.5352768), wk = 0.0023641 k( 252) = ( 0.1757846 -0.2843089 -0.5493630), wk = 0.0023641 k( 253) = ( 0.1802919 -0.2915989 -0.5634492), wk = 0.0023641 k( 254) = ( 0.1847992 -0.2988889 -0.5775355), wk = 0.0023641 k( 255) = ( 0.1893065 -0.3061789 -0.5916217), wk = 0.0023641 k( 256) = ( 0.1938138 -0.3134688 -0.6057080), wk = 0.0023641 k( 257) = ( 0.1983211 -0.3207588 -0.6197942), wk = 0.0023641 k( 258) = ( 0.2028284 -0.3280488 -0.6338804), wk = 0.0023641 k( 259) = ( 0.2073357 -0.3353387 -0.6479667), wk = 0.0023641 k( 260) = ( 0.2118430 -0.3426287 -0.6620529), wk = 0.0023641 k( 261) = ( 0.2163503 -0.3499187 -0.6761391), wk = 0.0023641 k( 262) = ( 0.2208576 -0.3572087 -0.6902253), wk = 0.0023641 k( 263) = ( 0.2253649 -0.3644986 -0.7043116), wk = 0.0023641 k( 264) = ( 0.2298721 -0.3717886 -0.7183978), wk = 0.0023641 k( 265) = ( 0.2343794 -0.3790786 -0.7324840), wk = 0.0023641 k( 266) = ( 0.2388868 -0.3863686 -0.7465703), wk = 0.0023641 k( 267) = ( 0.2433940 -0.3936585 -0.7606565), wk = 0.0023641 k( 268) = ( 0.2479013 -0.4009485 -0.7747427), wk = 0.0023641 k( 269) = ( 0.2524086 -0.4082385 -0.7888290), wk = 0.0023641 k( 270) = ( 0.2569159 -0.4155284 -0.8029152), wk = 0.0023641 k( 271) = ( 0.2614232 -0.4228184 -0.8170014), wk = 0.0023641 k( 272) = ( 0.2659305 -0.4301084 -0.8310877), wk = 0.0023641 k( 273) = ( 0.2704378 -0.4373984 -0.8451739), wk = 0.0023641 k( 274) = ( 0.2749451 -0.4446883 -0.8592601), wk = 0.0023641 k( 275) = ( 0.2794524 -0.4519783 -0.8733463), wk = 0.0023641 k( 276) = ( 0.2839597 -0.4592683 -0.8874326), wk = 0.0023641 k( 277) = ( 0.2884670 -0.4665582 -0.9015188), wk = 0.0023641 k( 278) = ( 0.2929743 -0.4738482 -0.9156050), wk = 0.0023641 k( 279) = ( 0.2974816 -0.4811382 -0.9296913), wk = 0.0023641 k( 280) = ( 0.3019889 -0.4884282 -0.9437775), wk = 0.0023641 k( 281) = ( 0.3064962 -0.4957181 -0.9578637), wk = 0.0023641 k( 282) = ( 0.3110035 -0.5030081 -0.9719500), wk = 0.0023641 k( 283) = ( 0.3155108 -0.5102981 -0.9860362), wk = 0.0023641 k( 284) = ( 0.3200181 -0.5175880 -1.0001224), wk = 0.0023641 k( 285) = ( 0.3245254 -0.5248780 -1.0142087), wk = 0.0023641 k( 286) = ( 0.3290327 -0.5321680 -1.0282949), wk = 0.0023641 k( 287) = ( 0.3335400 -0.5394580 -1.0423811), wk = 0.0023641 k( 288) = ( 0.3380473 -0.5467479 -1.0564674), wk = 0.0023641 k( 289) = ( 0.3425546 -0.5540379 -1.0705536), wk = 0.0023641 k( 290) = ( 0.6574454 -0.4119489 -0.9840987), wk = 0.0023641 k( 291) = ( 0.6529470 -0.3961192 -0.9840987), wk = 0.0023641 k( 292) = ( 0.6484485 -0.3802896 -0.9840987), wk = 0.0023641 k( 293) = ( 0.6439501 -0.3644599 -0.9840987), wk = 0.0023641 k( 294) = ( 0.6394517 -0.3486303 -0.9840987), wk = 0.0023641 k( 295) = ( 0.6349532 -0.3328006 -0.9840987), wk = 0.0023641 k( 296) = ( 0.6304548 -0.3169710 -0.9840987), wk = 0.0023641 k( 297) = ( 0.6259563 -0.3011413 -0.9840987), wk = 0.0023641 k( 298) = ( 0.6214579 -0.2853117 -0.9840987), wk = 0.0023641 k( 299) = ( 0.6169595 -0.2694820 -0.9840987), wk = 0.0023641 k( 300) = ( 0.6124610 -0.2536523 -0.9840987), wk = 0.0023641 k( 301) = ( 0.6079626 -0.2378227 -0.9840987), wk = 0.0023641 k( 302) = ( 0.6034641 -0.2219930 -0.9840987), wk = 0.0023641 k( 303) = ( 0.5989657 -0.2061634 -0.9840987), wk = 0.0023641 k( 304) = ( 0.5944673 -0.1903337 -0.9840987), wk = 0.0023641 k( 305) = ( 0.5899688 -0.1745041 -0.9840987), wk = 0.0023641 k( 306) = ( 0.5854704 -0.1586744 -0.9840987), wk = 0.0023641 k( 307) = ( 0.5809719 -0.1428448 -0.9840987), wk = 0.0023641 k( 308) = ( 0.5764735 -0.1270151 -0.9840987), wk = 0.0023641 k( 309) = ( 0.5719751 -0.1111854 -0.9840987), wk = 0.0023641 k( 310) = ( 0.5674766 -0.0953558 -0.9840987), wk = 0.0023641 k( 311) = ( 0.5629782 -0.0795261 -0.9840987), wk = 0.0023641 k( 312) = ( 0.5584797 -0.0636965 -0.9840987), wk = 0.0023641 k( 313) = ( 0.5539813 -0.0478668 -0.9840987), wk = 0.0023641 k( 314) = ( 0.5494828 -0.0320372 -0.9840987), wk = 0.0023641 k( 315) = ( 0.5449844 -0.0162075 -0.9840987), wk = 0.0023641 k( 316) = ( 0.5404860 -0.0003779 -0.9840987), wk = 0.0023641 k( 317) = ( 0.5359875 0.0154518 -0.9840987), wk = 0.0023641 k( 318) = ( 0.5314891 0.0312815 -0.9840987), wk = 0.0023641 k( 319) = ( 0.5269906 0.0471111 -0.9840987), wk = 0.0023641 k( 320) = ( 0.5224922 0.0629408 -0.9840987), wk = 0.0023641 k( 321) = ( 0.5179938 0.0787704 -0.9840987), wk = 0.0023641 k( 322) = ( 0.5134953 0.0946001 -0.9840987), wk = 0.0023641 k( 323) = ( 0.5089969 0.1104297 -0.9840987), wk = 0.0023641 k( 324) = ( 0.5044984 0.1262594 -0.9840987), wk = 0.0023641 k( 325) = ( 0.5000000 0.1420890 -0.9840987), wk = 0.0023641 k( 326) = ( 0.5000000 0.1420890 -0.9840987), wk = 0.0023641 k( 327) = ( 0.5131204 0.1458176 -0.9768941), wk = 0.0023641 k( 328) = ( 0.5262409 0.1495461 -0.9696896), wk = 0.0023641 k( 329) = ( 0.5393614 0.1532747 -0.9624850), wk = 0.0023641 k( 330) = ( 0.5524818 0.1570032 -0.9552804), wk = 0.0023641 k( 331) = ( 0.5656023 0.1607318 -0.9480758), wk = 0.0023641 k( 332) = ( 0.5787227 0.1644603 -0.9408713), wk = 0.0023641 k( 333) = ( 0.5918432 0.1681888 -0.9336667), wk = 0.0023641 k( 334) = ( 0.6049636 0.1719174 -0.9264621), wk = 0.0023641 k( 335) = ( 0.6180841 0.1756459 -0.9192576), wk = 0.0023641 k( 336) = ( 0.6312045 0.1793745 -0.9120530), wk = 0.0023641 k( 337) = ( 0.6443250 0.1831030 -0.9048484), wk = 0.0023641 k( 338) = ( 0.6574454 0.1868316 -0.8976438), wk = 0.0023641 k( 339) = ( 0.6574454 0.1868316 -0.8976438), wk = 0.0023641 k( 340) = ( 0.6548643 0.1860981 -0.8815111), wk = 0.0023641 k( 341) = ( 0.6522833 0.1853646 -0.8653783), wk = 0.0023641 k( 342) = ( 0.6497022 0.1846311 -0.8492455), wk = 0.0023641 k( 343) = ( 0.6471211 0.1838976 -0.8331128), wk = 0.0023641 k( 344) = ( 0.6445401 0.1831641 -0.8169800), wk = 0.0023641 k( 345) = ( 0.6419590 0.1824307 -0.8008472), wk = 0.0023641 k( 346) = ( 0.6393779 0.1816972 -0.7847145), wk = 0.0023641 k( 347) = ( 0.6367968 0.1809637 -0.7685817), wk = 0.0023641 k( 348) = ( 0.6342158 0.1802302 -0.7524490), wk = 0.0023641 k( 349) = ( 0.6316347 0.1794967 -0.7363162), wk = 0.0023641 k( 350) = ( 0.6290536 0.1787632 -0.7201834), wk = 0.0023641 k( 351) = ( 0.6264726 0.1780298 -0.7040506), wk = 0.0023641 k( 352) = ( 0.6238915 0.1772963 -0.6879179), wk = 0.0023641 k( 353) = ( 0.6213104 0.1765628 -0.6717851), wk = 0.0023641 k( 354) = ( 0.6187293 0.1758293 -0.6556523), wk = 0.0023641 k( 355) = ( 0.6161483 0.1750958 -0.6395196), wk = 0.0023641 k( 356) = ( 0.6135672 0.1743623 -0.6233868), wk = 0.0023641 k( 357) = ( 0.6109861 0.1736288 -0.6072541), wk = 0.0023641 k( 358) = ( 0.6084050 0.1728954 -0.5911213), wk = 0.0023641 k( 359) = ( 0.6058240 0.1721619 -0.5749885), wk = 0.0023641 k( 360) = ( 0.6032429 0.1714284 -0.5588558), wk = 0.0023641 k( 361) = ( 0.6006618 0.1706949 -0.5427230), wk = 0.0023641 k( 362) = ( 0.5980808 0.1699614 -0.5265902), wk = 0.0023641 k( 363) = ( 0.5954997 0.1692279 -0.5104574), wk = 0.0023641 k( 364) = ( 0.5929186 0.1684945 -0.4943247), wk = 0.0023641 k( 365) = ( 0.5903375 0.1677610 -0.4781919), wk = 0.0023641 k( 366) = ( 0.5877565 0.1670275 -0.4620592), wk = 0.0023641 k( 367) = ( 0.5851754 0.1662940 -0.4459264), wk = 0.0023641 k( 368) = ( 0.5825943 0.1655605 -0.4297936), wk = 0.0023641 k( 369) = ( 0.5800133 0.1648270 -0.4136609), wk = 0.0023641 k( 370) = ( 0.5774322 0.1640936 -0.3975281), wk = 0.0023641 k( 371) = ( 0.5748511 0.1633601 -0.3813953), wk = 0.0023641 k( 372) = ( 0.5722700 0.1626266 -0.3652626), wk = 0.0023641 k( 373) = ( 0.5696890 0.1618931 -0.3491298), wk = 0.0023641 k( 374) = ( 0.5671079 0.1611596 -0.3329970), wk = 0.0023641 k( 375) = ( 0.5645268 0.1604261 -0.3168643), wk = 0.0023641 k( 376) = ( 0.5619457 0.1596926 -0.3007315), wk = 0.0023641 k( 377) = ( 0.5593647 0.1589592 -0.2845987), wk = 0.0023641 k( 378) = ( 0.5567836 0.1582257 -0.2684660), wk = 0.0023641 k( 379) = ( 0.5542025 0.1574922 -0.2523332), wk = 0.0023641 k( 380) = ( 0.5516214 0.1567587 -0.2362004), wk = 0.0023641 k( 381) = ( 0.5490404 0.1560252 -0.2200677), wk = 0.0023641 k( 382) = ( 0.5464593 0.1552917 -0.2039349), wk = 0.0023641 k( 383) = ( 0.5438782 0.1545583 -0.1878021), wk = 0.0023641 k( 384) = ( 0.5412972 0.1538248 -0.1716694), wk = 0.0023641 k( 385) = ( 0.5387161 0.1530913 -0.1555366), wk = 0.0023641 k( 386) = ( 0.5361350 0.1523578 -0.1394038), wk = 0.0023641 k( 387) = ( 0.5335539 0.1516243 -0.1232711), wk = 0.0023641 k( 388) = ( 0.5309729 0.1508908 -0.1071383), wk = 0.0023641 k( 389) = ( 0.5283918 0.1501574 -0.0910055), wk = 0.0023641 k( 390) = ( 0.5258107 0.1494239 -0.0748728), wk = 0.0023641 k( 391) = ( 0.5232296 0.1486904 -0.0587400), wk = 0.0023641 k( 392) = ( 0.5206486 0.1479569 -0.0426073), wk = 0.0023641 k( 393) = ( 0.5180675 0.1472234 -0.0264745), wk = 0.0023641 k( 394) = ( 0.5154864 0.1464899 -0.0103417), wk = 0.0023641 k( 395) = ( 0.5129054 0.1457564 0.0057911), wk = 0.0023641 k( 396) = ( 0.5103243 0.1450230 0.0219238), wk = 0.0023641 k( 397) = ( 0.5077432 0.1442895 0.0380566), wk = 0.0023641 k( 398) = ( 0.5051621 0.1435560 0.0541894), wk = 0.0023641 k( 399) = ( 0.5025811 0.1428225 0.0703221), wk = 0.0023641 k( 400) = ( 0.5000000 0.1420890 0.0864549), wk = 0.0023641 k( 401) = ( 0.5000000 -0.8086856 -0.4920494), wk = 0.0023641 k( 402) = ( 0.5143132 -0.8022270 -0.4881196), wk = 0.0023641 k( 403) = ( 0.5286264 -0.7957684 -0.4841898), wk = 0.0023641 k( 404) = ( 0.5429397 -0.7893098 -0.4802601), wk = 0.0023641 k( 405) = ( 0.5572529 -0.7828512 -0.4763303), wk = 0.0023641 k( 406) = ( 0.5715661 -0.7763927 -0.4724005), wk = 0.0023641 k( 407) = ( 0.5858793 -0.7699341 -0.4684707), wk = 0.0023641 k( 408) = ( 0.6001925 -0.7634755 -0.4645410), wk = 0.0023641 k( 409) = ( 0.6145058 -0.7570169 -0.4606112), wk = 0.0023641 k( 410) = ( 0.6288190 -0.7505583 -0.4566815), wk = 0.0023641 k( 411) = ( 0.6431322 -0.7440997 -0.4527517), wk = 0.0023641 k( 412) = ( 0.6574454 -0.7376411 -0.4488219), wk = 0.0023641 k( 413) = ( 0.6717586 -0.7311825 -0.4448922), wk = 0.0023641 k( 414) = ( 0.6860719 -0.7247239 -0.4409624), wk = 0.0023641 k( 415) = ( 0.7003851 -0.7182653 -0.4370326), wk = 0.0023641 k( 416) = ( 0.7146983 -0.7118067 -0.4331028), wk = 0.0023641 k( 417) = ( 0.7290115 -0.7053481 -0.4291731), wk = 0.0023641 k( 418) = ( 0.7433247 -0.6988895 -0.4252433), wk = 0.0023641 k( 419) = ( 0.7576380 -0.6924309 -0.4213135), wk = 0.0023641 k( 420) = ( 0.7719512 -0.6859724 -0.4173838), wk = 0.0023641 k( 421) = ( 0.7862644 -0.6795138 -0.4134540), wk = 0.0023641 k( 422) = ( 0.8005776 -0.6730552 -0.4095242), wk = 0.0023641 k( 423) = ( 0.8148908 -0.6665966 -0.4055945), wk = 0.0023641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0076923 -0.0000000 0.0000000), wk = 0.0023641 k( 3) = ( 0.0153846 -0.0000000 0.0000000), wk = 0.0023641 k( 4) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0023641 k( 5) = ( 0.0307692 0.0000000 0.0000000), wk = 0.0023641 k( 6) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0023641 k( 7) = ( 0.0461539 0.0000000 0.0000000), wk = 0.0023641 k( 8) = ( 0.0538462 0.0000000 0.0000000), wk = 0.0023641 k( 9) = ( 0.0615385 0.0000000 0.0000000), wk = 0.0023641 k( 10) = ( 0.0692308 0.0000000 0.0000000), wk = 0.0023641 k( 11) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0023641 k( 12) = ( 0.0846154 0.0000000 0.0000000), wk = 0.0023641 k( 13) = ( 0.0923077 0.0000000 0.0000000), wk = 0.0023641 k( 14) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0023641 k( 15) = ( 0.1076923 0.0000000 0.0000000), wk = 0.0023641 k( 16) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0023641 k( 17) = ( 0.1230769 0.0000000 0.0000000), wk = 0.0023641 k( 18) = ( 0.1307692 0.0000000 0.0000000), wk = 0.0023641 k( 19) = ( 0.1384615 0.0000000 0.0000000), wk = 0.0023641 k( 20) = ( 0.1461539 0.0000000 0.0000000), wk = 0.0023641 k( 21) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0023641 k( 22) = ( 0.1615385 0.0000000 0.0000000), wk = 0.0023641 k( 23) = ( 0.1692308 0.0000000 0.0000000), wk = 0.0023641 k( 24) = ( 0.1769231 0.0000000 0.0000000), wk = 0.0023641 k( 25) = ( 0.1846154 0.0000000 0.0000000), wk = 0.0023641 k( 26) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0023641 k( 27) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0023641 k( 28) = ( 0.2076923 0.0000000 0.0000000), wk = 0.0023641 k( 29) = ( 0.2153846 0.0000000 0.0000000), wk = 0.0023641 k( 30) = ( 0.2230769 0.0000000 0.0000000), wk = 0.0023641 k( 31) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0023641 k( 32) = ( 0.2384615 0.0000000 0.0000000), wk = 0.0023641 k( 33) = ( 0.2461539 0.0000000 0.0000000), wk = 0.0023641 k( 34) = ( 0.2538461 0.0000000 0.0000000), wk = 0.0023641 k( 35) = ( 0.2615385 0.0000000 0.0000000), wk = 0.0023641 k( 36) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0023641 k( 37) = ( 0.2769231 0.0000000 0.0000000), wk = 0.0023641 k( 38) = ( 0.2846154 0.0000000 0.0000000), wk = 0.0023641 k( 39) = ( 0.2923077 0.0000000 0.0000000), wk = 0.0023641 k( 40) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0023641 k( 41) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0023641 k( 42) = ( 0.3153846 0.0000000 0.0000000), wk = 0.0023641 k( 43) = ( 0.3230769 0.0000000 0.0000000), wk = 0.0023641 k( 44) = ( 0.3307692 0.0000000 0.0000000), wk = 0.0023641 k( 45) = ( 0.3384615 0.0000000 0.0000000), wk = 0.0023641 k( 46) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0023641 k( 47) = ( 0.3538462 0.0000000 0.0000000), wk = 0.0023641 k( 48) = ( 0.3615385 0.0000000 0.0000000), wk = 0.0023641 k( 49) = ( 0.3692308 0.0000000 0.0000000), wk = 0.0023641 k( 50) = ( 0.3769231 0.0000000 0.0000000), wk = 0.0023641 k( 51) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0023641 k( 52) = ( 0.3923077 0.0000000 0.0000000), wk = 0.0023641 k( 53) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0023641 k( 54) = ( 0.4076923 -0.0000000 0.0000000), wk = 0.0023641 k( 55) = ( 0.4153846 0.0000000 0.0000000), wk = 0.0023641 k( 56) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0023641 k( 57) = ( 0.4307692 0.0000000 0.0000000), wk = 0.0023641 k( 58) = ( 0.4384615 -0.0000000 0.0000000), wk = 0.0023641 k( 59) = ( 0.4461539 0.0000000 0.0000000), wk = 0.0023641 k( 60) = ( 0.4538462 0.0000000 0.0000000), wk = 0.0023641 k( 61) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0023641 k( 62) = ( 0.4692308 -0.0000000 0.0000000), wk = 0.0023641 k( 63) = ( 0.4769231 0.0000000 0.0000000), wk = 0.0023641 k( 64) = ( 0.4846154 0.0000000 0.0000000), wk = 0.0023641 k( 65) = ( 0.4923077 0.0000000 0.0000000), wk = 0.0023641 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023641 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023641 k( 68) = ( 0.5000000 0.0045149 -0.0045149), wk = 0.0023641 k( 69) = ( 0.5000000 0.0090297 -0.0090297), wk = 0.0023641 k( 70) = ( 0.5000000 0.0135446 -0.0135446), wk = 0.0023641 k( 71) = ( 0.5000000 0.0180594 -0.0180594), wk = 0.0023641 k( 72) = ( 0.5000000 0.0225743 -0.0225743), wk = 0.0023641 k( 73) = ( 0.5000000 0.0270892 -0.0270891), wk = 0.0023641 k( 74) = ( 0.5000000 0.0316040 -0.0316040), wk = 0.0023641 k( 75) = ( 0.5000000 0.0361189 -0.0361189), wk = 0.0023641 k( 76) = ( 0.5000000 0.0406337 -0.0406337), wk = 0.0023641 k( 77) = ( 0.5000000 0.0451486 -0.0451486), wk = 0.0023641 k( 78) = ( 0.5000000 0.0496634 -0.0496634), wk = 0.0023641 k( 79) = ( 0.5000000 0.0541783 -0.0541783), wk = 0.0023641 k( 80) = ( 0.5000000 0.0586932 -0.0586931), wk = 0.0023641 k( 81) = ( 0.5000000 0.0632080 -0.0632080), wk = 0.0023641 k( 82) = ( 0.5000000 0.0677229 -0.0677229), wk = 0.0023641 k( 83) = ( 0.5000000 0.0722377 -0.0722377), wk = 0.0023641 k( 84) = ( 0.5000000 0.0767526 -0.0767526), wk = 0.0023641 k( 85) = ( 0.5000000 0.0812674 -0.0812674), wk = 0.0023641 k( 86) = ( 0.5000000 0.0857823 -0.0857823), wk = 0.0023641 k( 87) = ( 0.5000000 0.0902972 -0.0902971), wk = 0.0023641 k( 88) = ( 0.5000000 0.0948120 -0.0948120), wk = 0.0023641 k( 89) = ( 0.5000000 0.0993269 -0.0993269), wk = 0.0023641 k( 90) = ( 0.5000000 0.1038417 -0.1038417), wk = 0.0023641 k( 91) = ( 0.5000000 0.1083566 -0.1083566), wk = 0.0023641 k( 92) = ( 0.5000000 0.1128714 -0.1128714), wk = 0.0023641 k( 93) = ( 0.5000000 0.1173863 -0.1173863), wk = 0.0023641 k( 94) = ( 0.5000000 0.1219012 -0.1219011), wk = 0.0023641 k( 95) = ( 0.5000000 0.1264160 -0.1264160), wk = 0.0023641 k( 96) = ( 0.5000000 0.1309309 -0.1309309), wk = 0.0023641 k( 97) = ( 0.5000000 0.1354457 -0.1354457), wk = 0.0023641 k( 98) = ( 0.5000000 0.1399606 -0.1399606), wk = 0.0023641 k( 99) = ( 0.5000000 0.1444754 -0.1444754), wk = 0.0023641 k( 100) = ( 0.5000000 0.1489903 -0.1489903), wk = 0.0023641 k( 101) = ( 0.5000000 0.1535052 -0.1535052), wk = 0.0023641 k( 102) = ( 0.5000000 0.1580200 -0.1580200), wk = 0.0023641 k( 103) = ( 0.5000000 0.1625349 -0.1625349), wk = 0.0023641 k( 104) = ( 0.5000000 0.1670497 -0.1670497), wk = 0.0023641 k( 105) = ( 0.5000000 0.1715646 -0.1715646), wk = 0.0023641 k( 106) = ( 0.5000000 0.1760794 -0.1760794), wk = 0.0023641 k( 107) = ( 0.5000000 0.1805943 -0.1805943), wk = 0.0023641 k( 108) = ( 0.5000000 0.1851092 -0.1851092), wk = 0.0023641 k( 109) = ( 0.8148908 0.5000000 0.1851092), wk = 0.0023641 k( 110) = ( 0.8103924 0.5000000 0.1896076), wk = 0.0023641 k( 111) = ( 0.8058940 0.5000000 0.1941060), wk = 0.0023641 k( 112) = ( 0.8013955 0.5000000 0.1986045), wk = 0.0023641 k( 113) = ( 0.7968971 0.5000000 0.2031029), wk = 0.0023641 k( 114) = ( 0.7923986 0.5000000 0.2076014), wk = 0.0023641 k( 115) = ( 0.7879002 0.5000000 0.2120998), wk = 0.0023641 k( 116) = ( 0.7834018 0.5000000 0.2165982), wk = 0.0023641 k( 117) = ( 0.7789033 0.5000000 0.2210967), wk = 0.0023641 k( 118) = ( 0.7744049 0.5000000 0.2255951), wk = 0.0023641 k( 119) = ( 0.7699064 0.5000000 0.2300936), wk = 0.0023641 k( 120) = ( 0.7654080 0.5000000 0.2345920), wk = 0.0023641 k( 121) = ( 0.7609096 0.5000000 0.2390905), wk = 0.0023641 k( 122) = ( 0.7564111 0.5000000 0.2435889), wk = 0.0023641 k( 123) = ( 0.7519127 0.5000000 0.2480873), wk = 0.0023641 k( 124) = ( 0.7474142 0.5000000 0.2525858), wk = 0.0023641 k( 125) = ( 0.7429158 0.5000000 0.2570842), wk = 0.0023641 k( 126) = ( 0.7384173 0.5000000 0.2615827), wk = 0.0023641 k( 127) = ( 0.7339189 0.5000000 0.2660811), wk = 0.0023641 k( 128) = ( 0.7294205 0.5000000 0.2705795), wk = 0.0023641 k( 129) = ( 0.7249220 0.5000000 0.2750780), wk = 0.0023641 k( 130) = ( 0.7204236 0.5000000 0.2795764), wk = 0.0023641 k( 131) = ( 0.7159252 0.5000000 0.2840748), wk = 0.0023641 k( 132) = ( 0.7114267 0.5000000 0.2885733), wk = 0.0023641 k( 133) = ( 0.7069283 0.5000000 0.2930717), wk = 0.0023641 k( 134) = ( 0.7024298 0.5000000 0.2975702), wk = 0.0023641 k( 135) = ( 0.6979314 0.5000000 0.3020686), wk = 0.0023641 k( 136) = ( 0.6934330 0.5000000 0.3065671), wk = 0.0023641 k( 137) = ( 0.6889345 0.5000000 0.3110655), wk = 0.0023641 k( 138) = ( 0.6844361 0.5000000 0.3155639), wk = 0.0023641 k( 139) = ( 0.6799376 0.5000000 0.3200624), wk = 0.0023641 k( 140) = ( 0.6754392 0.5000000 0.3245608), wk = 0.0023641 k( 141) = ( 0.6709407 0.5000000 0.3290593), wk = 0.0023641 k( 142) = ( 0.6664423 0.5000000 0.3335577), wk = 0.0023641 k( 143) = ( 0.6619439 0.5000000 0.3380561), wk = 0.0023641 k( 144) = ( 0.6574454 0.5000000 0.3425546), wk = 0.0023641 k( 145) = ( 0.6529470 0.5000000 0.3470530), wk = 0.0023641 k( 146) = ( 0.6484485 0.5000000 0.3515515), wk = 0.0023641 k( 147) = ( 0.6439501 0.5000000 0.3560499), wk = 0.0023641 k( 148) = ( 0.6394517 0.5000000 0.3605483), wk = 0.0023641 k( 149) = ( 0.6349532 0.5000000 0.3650468), wk = 0.0023641 k( 150) = ( 0.6304548 0.5000000 0.3695452), wk = 0.0023641 k( 151) = ( 0.6259563 0.5000000 0.3740437), wk = 0.0023641 k( 152) = ( 0.6214579 0.5000000 0.3785421), wk = 0.0023641 k( 153) = ( 0.6169595 0.5000000 0.3830405), wk = 0.0023641 k( 154) = ( 0.6124610 0.5000000 0.3875390), wk = 0.0023641 k( 155) = ( 0.6079626 0.5000000 0.3920374), wk = 0.0023641 k( 156) = ( 0.6034641 0.5000000 0.3965359), wk = 0.0023641 k( 157) = ( 0.5989657 0.5000000 0.4010343), wk = 0.0023641 k( 158) = ( 0.5944673 0.5000000 0.4055328), wk = 0.0023641 k( 159) = ( 0.5899688 0.5000000 0.4100312), wk = 0.0023641 k( 160) = ( 0.5854704 0.5000000 0.4145296), wk = 0.0023641 k( 161) = ( 0.5809719 0.5000000 0.4190281), wk = 0.0023641 k( 162) = ( 0.5764735 0.5000000 0.4235265), wk = 0.0023641 k( 163) = ( 0.5719751 0.5000000 0.4280250), wk = 0.0023641 k( 164) = ( 0.5674766 0.5000000 0.4325234), wk = 0.0023641 k( 165) = ( 0.5629782 0.5000000 0.4370218), wk = 0.0023641 k( 166) = ( 0.5584797 0.5000000 0.4415203), wk = 0.0023641 k( 167) = ( 0.5539813 0.5000000 0.4460187), wk = 0.0023641 k( 168) = ( 0.5494828 0.5000000 0.4505172), wk = 0.0023641 k( 169) = ( 0.5449844 0.5000000 0.4550156), wk = 0.0023641 k( 170) = ( 0.5404860 0.5000000 0.4595140), wk = 0.0023641 k( 171) = ( 0.5359875 0.5000000 0.4640125), wk = 0.0023641 k( 172) = ( 0.5314891 0.5000000 0.4685109), wk = 0.0023641 k( 173) = ( 0.5269906 0.5000000 0.4730094), wk = 0.0023641 k( 174) = ( 0.5224922 0.5000000 0.4775078), wk = 0.0023641 k( 175) = ( 0.5179938 0.5000000 0.4820062), wk = 0.0023641 k( 176) = ( 0.5134953 0.5000000 0.4865047), wk = 0.0023641 k( 177) = ( 0.5089969 0.5000000 0.4910031), wk = 0.0023641 k( 178) = ( 0.5044984 0.5000000 0.4955016), wk = 0.0023641 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 181) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0023641 k( 182) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0023641 k( 183) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0023641 k( 184) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0023641 k( 185) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0023641 k( 186) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0023641 k( 187) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0023641 k( 188) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0023641 k( 189) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0023641 k( 190) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0023641 k( 191) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0023641 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0023641 k( 193) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0023641 k( 194) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0023641 k( 195) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0023641 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023641 k( 197) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0023641 k( 198) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0023641 k( 199) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0023641 k( 200) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0023641 k( 201) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0023641 k( 202) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0023641 k( 203) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0023641 k( 204) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0023641 k( 205) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0023641 k( 206) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0023641 k( 207) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0023641 k( 208) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0023641 k( 209) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0023641 k( 210) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0023641 k( 211) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0023641 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 214) = ( 0.0045073 0.0000000 -0.0045073), wk = 0.0023641 k( 215) = ( 0.0090146 0.0000000 -0.0090146), wk = 0.0023641 k( 216) = ( 0.0135219 0.0000000 -0.0135219), wk = 0.0023641 k( 217) = ( 0.0180292 0.0000000 -0.0180292), wk = 0.0023641 k( 218) = ( 0.0225365 0.0000000 -0.0225365), wk = 0.0023641 k( 219) = ( 0.0270438 0.0000000 -0.0270438), wk = 0.0023641 k( 220) = ( 0.0315511 0.0000000 -0.0315511), wk = 0.0023641 k( 221) = ( 0.0360584 0.0000000 -0.0360584), wk = 0.0023641 k( 222) = ( 0.0405657 0.0000000 -0.0405657), wk = 0.0023641 k( 223) = ( 0.0450730 0.0000000 -0.0450730), wk = 0.0023641 k( 224) = ( 0.0495803 0.0000000 -0.0495803), wk = 0.0023641 k( 225) = ( 0.0540876 0.0000000 -0.0540876), wk = 0.0023641 k( 226) = ( 0.0585949 0.0000000 -0.0585949), wk = 0.0023641 k( 227) = ( 0.0631022 0.0000000 -0.0631022), wk = 0.0023641 k( 228) = ( 0.0676095 0.0000000 -0.0676095), wk = 0.0023641 k( 229) = ( 0.0721167 -0.0000000 -0.0721167), wk = 0.0023641 k( 230) = ( 0.0766240 0.0000000 -0.0766240), wk = 0.0023641 k( 231) = ( 0.0811314 0.0000000 -0.0811314), wk = 0.0023641 k( 232) = ( 0.0856386 0.0000000 -0.0856386), wk = 0.0023641 k( 233) = ( 0.0901459 0.0000000 -0.0901459), wk = 0.0023641 k( 234) = ( 0.0946532 -0.0000000 -0.0946532), wk = 0.0023641 k( 235) = ( 0.0991605 0.0000000 -0.0991605), wk = 0.0023641 k( 236) = ( 0.1036678 0.0000000 -0.1036678), wk = 0.0023641 k( 237) = ( 0.1081751 0.0000000 -0.1081751), wk = 0.0023641 k( 238) = ( 0.1126824 0.0000000 -0.1126824), wk = 0.0023641 k( 239) = ( 0.1171897 0.0000000 -0.1171897), wk = 0.0023641 k( 240) = ( 0.1216970 0.0000000 -0.1216970), wk = 0.0023641 k( 241) = ( 0.1262043 0.0000000 -0.1262043), wk = 0.0023641 k( 242) = ( 0.1307116 0.0000000 -0.1307116), wk = 0.0023641 k( 243) = ( 0.1352189 0.0000000 -0.1352189), wk = 0.0023641 k( 244) = ( 0.1397262 0.0000000 -0.1397262), wk = 0.0023641 k( 245) = ( 0.1442335 0.0000000 -0.1442335), wk = 0.0023641 k( 246) = ( 0.1487408 0.0000000 -0.1487408), wk = 0.0023641 k( 247) = ( 0.1532481 0.0000000 -0.1532481), wk = 0.0023641 k( 248) = ( 0.1577554 -0.0000000 -0.1577554), wk = 0.0023641 k( 249) = ( 0.1622627 0.0000000 -0.1622627), wk = 0.0023641 k( 250) = ( 0.1667700 0.0000000 -0.1667700), wk = 0.0023641 k( 251) = ( 0.1712773 0.0000000 -0.1712773), wk = 0.0023641 k( 252) = ( 0.1757846 -0.0000000 -0.1757846), wk = 0.0023641 k( 253) = ( 0.1802919 0.0000000 -0.1802919), wk = 0.0023641 k( 254) = ( 0.1847992 0.0000000 -0.1847992), wk = 0.0023641 k( 255) = ( 0.1893065 -0.0000000 -0.1893065), wk = 0.0023641 k( 256) = ( 0.1938138 0.0000000 -0.1938138), wk = 0.0023641 k( 257) = ( 0.1983211 0.0000000 -0.1983211), wk = 0.0023641 k( 258) = ( 0.2028284 -0.0000000 -0.2028284), wk = 0.0023641 k( 259) = ( 0.2073357 0.0000000 -0.2073357), wk = 0.0023641 k( 260) = ( 0.2118430 0.0000000 -0.2118430), wk = 0.0023641 k( 261) = ( 0.2163503 0.0000000 -0.2163503), wk = 0.0023641 k( 262) = ( 0.2208576 0.0000000 -0.2208576), wk = 0.0023641 k( 263) = ( 0.2253649 0.0000000 -0.2253649), wk = 0.0023641 k( 264) = ( 0.2298721 0.0000000 -0.2298721), wk = 0.0023641 k( 265) = ( 0.2343794 -0.0000000 -0.2343794), wk = 0.0023641 k( 266) = ( 0.2388868 0.0000000 -0.2388867), wk = 0.0023641 k( 267) = ( 0.2433940 0.0000000 -0.2433940), wk = 0.0023641 k( 268) = ( 0.2479013 -0.0000000 -0.2479013), wk = 0.0023641 k( 269) = ( 0.2524086 0.0000000 -0.2524086), wk = 0.0023641 k( 270) = ( 0.2569159 0.0000000 -0.2569159), wk = 0.0023641 k( 271) = ( 0.2614232 0.0000000 -0.2614232), wk = 0.0023641 k( 272) = ( 0.2659305 0.0000000 -0.2659305), wk = 0.0023641 k( 273) = ( 0.2704378 0.0000000 -0.2704378), wk = 0.0023641 k( 274) = ( 0.2749451 0.0000000 -0.2749451), wk = 0.0023641 k( 275) = ( 0.2794524 0.0000000 -0.2794524), wk = 0.0023641 k( 276) = ( 0.2839597 0.0000000 -0.2839597), wk = 0.0023641 k( 277) = ( 0.2884670 0.0000000 -0.2884670), wk = 0.0023641 k( 278) = ( 0.2929743 -0.0000000 -0.2929743), wk = 0.0023641 k( 279) = ( 0.2974816 0.0000000 -0.2974816), wk = 0.0023641 k( 280) = ( 0.3019889 0.0000000 -0.3019889), wk = 0.0023641 k( 281) = ( 0.3064962 0.0000000 -0.3064962), wk = 0.0023641 k( 282) = ( 0.3110035 -0.0000000 -0.3110035), wk = 0.0023641 k( 283) = ( 0.3155108 -0.0000000 -0.3155108), wk = 0.0023641 k( 284) = ( 0.3200181 0.0000000 -0.3200181), wk = 0.0023641 k( 285) = ( 0.3245254 0.0000000 -0.3245254), wk = 0.0023641 k( 286) = ( 0.3290327 0.0000000 -0.3290327), wk = 0.0023641 k( 287) = ( 0.3335400 -0.0000000 -0.3335400), wk = 0.0023641 k( 288) = ( 0.3380473 -0.0000000 -0.3380473), wk = 0.0023641 k( 289) = ( 0.3425546 0.0000000 -0.3425546), wk = 0.0023641 k( 290) = ( 0.6574454 0.3425546 0.0000000), wk = 0.0023641 k( 291) = ( 0.6529470 0.3470530 0.0000000), wk = 0.0023641 k( 292) = ( 0.6484485 0.3515515 0.0000000), wk = 0.0023641 k( 293) = ( 0.6439501 0.3560499 0.0000000), wk = 0.0023641 k( 294) = ( 0.6394517 0.3605483 0.0000000), wk = 0.0023641 k( 295) = ( 0.6349532 0.3650468 0.0000000), wk = 0.0023641 k( 296) = ( 0.6304548 0.3695452 0.0000000), wk = 0.0023641 k( 297) = ( 0.6259563 0.3740437 0.0000000), wk = 0.0023641 k( 298) = ( 0.6214579 0.3785421 0.0000000), wk = 0.0023641 k( 299) = ( 0.6169595 0.3830405 0.0000000), wk = 0.0023641 k( 300) = ( 0.6124610 0.3875390 0.0000000), wk = 0.0023641 k( 301) = ( 0.6079626 0.3920374 0.0000000), wk = 0.0023641 k( 302) = ( 0.6034641 0.3965359 0.0000000), wk = 0.0023641 k( 303) = ( 0.5989657 0.4010343 0.0000000), wk = 0.0023641 k( 304) = ( 0.5944673 0.4055328 0.0000000), wk = 0.0023641 k( 305) = ( 0.5899688 0.4100312 0.0000000), wk = 0.0023641 k( 306) = ( 0.5854704 0.4145296 0.0000000), wk = 0.0023641 k( 307) = ( 0.5809719 0.4190281 0.0000000), wk = 0.0023641 k( 308) = ( 0.5764735 0.4235265 0.0000000), wk = 0.0023641 k( 309) = ( 0.5719751 0.4280250 0.0000000), wk = 0.0023641 k( 310) = ( 0.5674766 0.4325234 0.0000000), wk = 0.0023641 k( 311) = ( 0.5629782 0.4370218 0.0000000), wk = 0.0023641 k( 312) = ( 0.5584797 0.4415203 0.0000000), wk = 0.0023641 k( 313) = ( 0.5539813 0.4460187 0.0000000), wk = 0.0023641 k( 314) = ( 0.5494828 0.4505172 0.0000000), wk = 0.0023641 k( 315) = ( 0.5449844 0.4550156 0.0000000), wk = 0.0023641 k( 316) = ( 0.5404860 0.4595140 0.0000000), wk = 0.0023641 k( 317) = ( 0.5359875 0.4640125 0.0000000), wk = 0.0023641 k( 318) = ( 0.5314891 0.4685109 0.0000000), wk = 0.0023641 k( 319) = ( 0.5269906 0.4730094 0.0000000), wk = 0.0023641 k( 320) = ( 0.5224922 0.4775078 0.0000000), wk = 0.0023641 k( 321) = ( 0.5179938 0.4820062 0.0000000), wk = 0.0023641 k( 322) = ( 0.5134953 0.4865047 0.0000000), wk = 0.0023641 k( 323) = ( 0.5089969 0.4910031 0.0000000), wk = 0.0023641 k( 324) = ( 0.5044984 0.4955016 0.0000000), wk = 0.0023641 k( 325) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023641 k( 326) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023641 k( 327) = ( 0.5131204 0.5131204 0.0154258), wk = 0.0023641 k( 328) = ( 0.5262409 0.5262409 0.0308515), wk = 0.0023641 k( 329) = ( 0.5393614 0.5393614 0.0462773), wk = 0.0023641 k( 330) = ( 0.5524818 0.5524818 0.0617031), wk = 0.0023641 k( 331) = ( 0.5656023 0.5656023 0.0771288), wk = 0.0023641 k( 332) = ( 0.5787227 0.5787227 0.0925546), wk = 0.0023641 k( 333) = ( 0.5918432 0.5918432 0.1079803), wk = 0.0023641 k( 334) = ( 0.6049636 0.6049636 0.1234061), wk = 0.0023641 k( 335) = ( 0.6180841 0.6180841 0.1388319), wk = 0.0023641 k( 336) = ( 0.6312045 0.6312045 0.1542576), wk = 0.0023641 k( 337) = ( 0.6443250 0.6443250 0.1696834), wk = 0.0023641 k( 338) = ( 0.6574454 0.6574454 0.1851092), wk = 0.0023641 k( 339) = ( 0.6574454 0.6574454 0.1851092), wk = 0.0023641 k( 340) = ( 0.6548643 0.6548643 0.1902713), wk = 0.0023641 k( 341) = ( 0.6522833 0.6522833 0.1954335), wk = 0.0023641 k( 342) = ( 0.6497022 0.6497022 0.2005956), wk = 0.0023641 k( 343) = ( 0.6471211 0.6471211 0.2057577), wk = 0.0023641 k( 344) = ( 0.6445401 0.6445401 0.2109199), wk = 0.0023641 k( 345) = ( 0.6419590 0.6419590 0.2160820), wk = 0.0023641 k( 346) = ( 0.6393779 0.6393779 0.2212442), wk = 0.0023641 k( 347) = ( 0.6367968 0.6367968 0.2264063), wk = 0.0023641 k( 348) = ( 0.6342158 0.6342158 0.2315685), wk = 0.0023641 k( 349) = ( 0.6316347 0.6316347 0.2367306), wk = 0.0023641 k( 350) = ( 0.6290536 0.6290536 0.2418928), wk = 0.0023641 k( 351) = ( 0.6264726 0.6264726 0.2470549), wk = 0.0023641 k( 352) = ( 0.6238915 0.6238915 0.2522170), wk = 0.0023641 k( 353) = ( 0.6213104 0.6213104 0.2573792), wk = 0.0023641 k( 354) = ( 0.6187293 0.6187293 0.2625413), wk = 0.0023641 k( 355) = ( 0.6161483 0.6161483 0.2677035), wk = 0.0023641 k( 356) = ( 0.6135672 0.6135672 0.2728656), wk = 0.0023641 k( 357) = ( 0.6109861 0.6109861 0.2780278), wk = 0.0023641 k( 358) = ( 0.6084050 0.6084050 0.2831899), wk = 0.0023641 k( 359) = ( 0.6058240 0.6058240 0.2883521), wk = 0.0023641 k( 360) = ( 0.6032429 0.6032429 0.2935142), wk = 0.0023641 k( 361) = ( 0.6006618 0.6006618 0.2986764), wk = 0.0023641 k( 362) = ( 0.5980808 0.5980808 0.3038385), wk = 0.0023641 k( 363) = ( 0.5954997 0.5954997 0.3090006), wk = 0.0023641 k( 364) = ( 0.5929186 0.5929186 0.3141628), wk = 0.0023641 k( 365) = ( 0.5903375 0.5903375 0.3193249), wk = 0.0023641 k( 366) = ( 0.5877565 0.5877565 0.3244871), wk = 0.0023641 k( 367) = ( 0.5851754 0.5851754 0.3296492), wk = 0.0023641 k( 368) = ( 0.5825943 0.5825943 0.3348114), wk = 0.0023641 k( 369) = ( 0.5800133 0.5800133 0.3399735), wk = 0.0023641 k( 370) = ( 0.5774322 0.5774322 0.3451357), wk = 0.0023641 k( 371) = ( 0.5748511 0.5748511 0.3502978), wk = 0.0023641 k( 372) = ( 0.5722700 0.5722700 0.3554599), wk = 0.0023641 k( 373) = ( 0.5696890 0.5696890 0.3606221), wk = 0.0023641 k( 374) = ( 0.5671079 0.5671079 0.3657842), wk = 0.0023641 k( 375) = ( 0.5645268 0.5645268 0.3709464), wk = 0.0023641 k( 376) = ( 0.5619457 0.5619457 0.3761085), wk = 0.0023641 k( 377) = ( 0.5593647 0.5593647 0.3812707), wk = 0.0023641 k( 378) = ( 0.5567836 0.5567836 0.3864328), wk = 0.0023641 k( 379) = ( 0.5542025 0.5542025 0.3915950), wk = 0.0023641 k( 380) = ( 0.5516214 0.5516214 0.3967571), wk = 0.0023641 k( 381) = ( 0.5490404 0.5490404 0.4019193), wk = 0.0023641 k( 382) = ( 0.5464593 0.5464593 0.4070814), wk = 0.0023641 k( 383) = ( 0.5438782 0.5438782 0.4122435), wk = 0.0023641 k( 384) = ( 0.5412972 0.5412972 0.4174057), wk = 0.0023641 k( 385) = ( 0.5387161 0.5387161 0.4225678), wk = 0.0023641 k( 386) = ( 0.5361350 0.5361350 0.4277300), wk = 0.0023641 k( 387) = ( 0.5335539 0.5335539 0.4328921), wk = 0.0023641 k( 388) = ( 0.5309729 0.5309729 0.4380543), wk = 0.0023641 k( 389) = ( 0.5283918 0.5283918 0.4432164), wk = 0.0023641 k( 390) = ( 0.5258107 0.5258107 0.4483786), wk = 0.0023641 k( 391) = ( 0.5232296 0.5232296 0.4535407), wk = 0.0023641 k( 392) = ( 0.5206486 0.5206486 0.4587028), wk = 0.0023641 k( 393) = ( 0.5180675 0.5180675 0.4638650), wk = 0.0023641 k( 394) = ( 0.5154864 0.5154864 0.4690271), wk = 0.0023641 k( 395) = ( 0.5129054 0.5129054 0.4741893), wk = 0.0023641 k( 396) = ( 0.5103243 0.5103243 0.4793514), wk = 0.0023641 k( 397) = ( 0.5077432 0.5077432 0.4845136), wk = 0.0023641 k( 398) = ( 0.5051621 0.5051621 0.4896757), wk = 0.0023641 k( 399) = ( 0.5025811 0.5025811 0.4948379), wk = 0.0023641 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023641 k( 401) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023641 k( 402) = ( 0.5143132 0.0155707 0.0155707), wk = 0.0023641 k( 403) = ( 0.5286264 0.0311413 0.0311413), wk = 0.0023641 k( 404) = ( 0.5429397 0.0467120 0.0467120), wk = 0.0023641 k( 405) = ( 0.5572529 0.0622827 0.0622827), wk = 0.0023641 k( 406) = ( 0.5715661 0.0778533 0.0778533), wk = 0.0023641 k( 407) = ( 0.5858793 0.0934240 0.0934240), wk = 0.0023641 k( 408) = ( 0.6001925 0.1089946 0.1089946), wk = 0.0023641 k( 409) = ( 0.6145058 0.1245653 0.1245653), wk = 0.0023641 k( 410) = ( 0.6288190 0.1401360 0.1401360), wk = 0.0023641 k( 411) = ( 0.6431322 0.1557066 0.1557066), wk = 0.0023641 k( 412) = ( 0.6574454 0.1712773 0.1712773), wk = 0.0023641 k( 413) = ( 0.6717586 0.1868480 0.1868480), wk = 0.0023641 k( 414) = ( 0.6860719 0.2024186 0.2024186), wk = 0.0023641 k( 415) = ( 0.7003851 0.2179893 0.2179893), wk = 0.0023641 k( 416) = ( 0.7146983 0.2335599 0.2335599), wk = 0.0023641 k( 417) = ( 0.7290115 0.2491306 0.2491306), wk = 0.0023641 k( 418) = ( 0.7433247 0.2647013 0.2647013), wk = 0.0023641 k( 419) = ( 0.7576380 0.2802719 0.2802719), wk = 0.0023641 k( 420) = ( 0.7719512 0.2958426 0.2958426), wk = 0.0023641 k( 421) = ( 0.7862644 0.3114133 0.3114133), wk = 0.0023641 k( 422) = ( 0.8005776 0.3269839 0.3269839), wk = 0.0023641 k( 423) = ( 0.8148908 0.3425546 0.3425546), wk = 0.0023641 Dense grid: 64293 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 32665 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 240, 36) NL pseudopotentials 0.14 Mb ( 120, 76) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1786) G-vector shells 0.01 Mb ( 1530) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 240, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 76, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiVO2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.2 secs Computing kpt #: 21 total cpu time spent up to now is 11.6 secs Computing kpt #: 22 total cpu time spent up to now is 12.0 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 12.8 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.7 secs Computing kpt #: 32 total cpu time spent up to now is 16.1 secs Computing kpt #: 33 total cpu time spent up to now is 16.5 secs Computing kpt #: 34 total cpu time spent up to now is 16.9 secs Computing kpt #: 35 total cpu time spent up to now is 17.3 secs Computing kpt #: 36 total cpu time spent up to now is 17.7 secs Computing kpt #: 37 total cpu time spent up to now is 18.1 secs Computing kpt #: 38 total cpu time spent up to now is 18.6 secs Computing kpt #: 39 total cpu time spent up to now is 19.0 secs Computing kpt #: 40 total cpu time spent up to now is 19.4 secs Computing kpt #: 41 total cpu time spent up to now is 19.8 secs Computing kpt #: 42 total cpu time spent up to now is 20.2 secs Computing kpt #: 43 total cpu time spent up to now is 20.6 secs Computing kpt #: 44 total cpu time spent up to now is 21.0 secs Computing kpt #: 45 total cpu time spent up to now is 21.5 secs Computing kpt #: 46 total cpu time spent up to now is 21.9 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.7 secs Computing kpt #: 49 total cpu time spent up to now is 23.1 secs Computing kpt #: 50 total cpu time spent up to now is 23.5 secs Computing kpt #: 51 total cpu time spent up to now is 23.9 secs Computing kpt #: 52 total cpu time spent up to now is 24.3 secs Computing kpt #: 53 total cpu time spent up to now is 24.7 secs Computing kpt #: 54 total cpu time spent up to now is 25.1 secs Computing kpt #: 55 total cpu time spent up to now is 25.6 secs Computing kpt #: 56 total cpu time spent up to now is 26.0 secs Computing kpt #: 57 total cpu time spent up to now is 26.4 secs Computing kpt #: 58 total cpu time spent up to now is 26.8 secs Computing kpt #: 59 total cpu time spent up to now is 27.2 secs Computing kpt #: 60 total cpu time spent up to now is 27.6 secs Computing kpt #: 61 total cpu time spent up to now is 28.0 secs Computing kpt #: 62 total cpu time spent up to now is 28.4 secs Computing kpt #: 63 total cpu time spent up to now is 28.8 secs Computing kpt #: 64 total cpu time spent up to now is 29.2 secs Computing kpt #: 65 total cpu time spent up to now is 29.7 secs Computing kpt #: 66 total cpu time spent up to now is 30.1 secs Computing kpt #: 67 total cpu time spent up to now is 30.5 secs Computing kpt #: 68 total cpu time spent up to now is 30.9 secs Computing kpt #: 69 total cpu time spent up to now is 31.3 secs Computing kpt #: 70 total cpu time spent up to now is 31.7 secs Computing kpt #: 71 total cpu time spent up to now is 32.1 secs Computing kpt #: 72 total cpu time spent up to now is 32.5 secs Computing kpt #: 73 total cpu time spent up to now is 32.9 secs Computing kpt #: 74 total cpu time spent up to now is 33.3 secs Computing kpt #: 75 total cpu time spent up to now is 33.8 secs Computing kpt #: 76 total cpu time spent up to now is 34.2 secs Computing kpt #: 77 total cpu time spent up to now is 34.6 secs Computing kpt #: 78 total cpu time spent up to now is 35.0 secs Computing kpt #: 79 total cpu time spent up to now is 35.4 secs Computing kpt #: 80 total cpu time spent up to now is 35.8 secs Computing kpt #: 81 total cpu time spent up to now is 36.2 secs Computing kpt #: 82 total cpu time spent up to now is 36.7 secs Computing kpt #: 83 total cpu time spent up to now is 37.1 secs Computing kpt #: 84 total cpu time spent up to now is 37.5 secs Computing kpt #: 85 total cpu time spent up to now is 37.9 secs Computing kpt #: 86 total cpu time spent up to now is 38.3 secs Computing kpt #: 87 total cpu time spent up to now is 38.7 secs Computing kpt #: 88 total cpu time spent up to now is 39.1 secs Computing kpt #: 89 total cpu time spent up to now is 39.5 secs Computing kpt #: 90 total cpu time spent up to now is 39.9 secs Computing kpt #: 91 total cpu time spent up to now is 40.3 secs Computing kpt #: 92 total cpu time spent up to now is 40.7 secs Computing kpt #: 93 total cpu time spent up to now is 41.1 secs Computing kpt #: 94 total cpu time spent up to now is 41.5 secs Computing kpt #: 95 total cpu time spent up to now is 41.9 secs Computing kpt #: 96 total cpu time spent up to now is 42.3 secs Computing kpt #: 97 total cpu time spent up to now is 42.7 secs Computing kpt #: 98 total cpu time spent up to now is 43.1 secs Computing kpt #: 99 total cpu time spent up to now is 43.5 secs Computing kpt #: 100 total cpu time spent up to now is 43.9 secs Computing kpt #: 101 total cpu time spent up to now is 44.3 secs Computing kpt #: 102 total cpu time spent up to now is 44.7 secs Computing kpt #: 103 total cpu time spent up to now is 45.1 secs Computing kpt #: 104 total cpu time spent up to now is 45.5 secs Computing kpt #: 105 total cpu time spent up to now is 45.9 secs Computing kpt #: 106 total cpu time spent up to now is 46.2 secs Computing kpt #: 107 total cpu time spent up to now is 46.6 secs Computing kpt #: 108 total cpu time spent up to now is 47.0 secs Computing kpt #: 109 total cpu time spent up to now is 47.4 secs Computing kpt #: 110 total cpu time spent up to now is 47.8 secs Computing kpt #: 111 total cpu time spent up to now is 48.2 secs Computing kpt #: 112 total cpu time spent up to now is 48.6 secs Computing kpt #: 113 total cpu time spent up to now is 49.0 secs Computing kpt #: 114 total cpu time spent up to now is 49.4 secs Computing kpt #: 115 total cpu time spent up to now is 49.8 secs Computing kpt #: 116 total cpu time spent up to now is 50.2 secs Computing kpt #: 117 total cpu time spent up to now is 50.6 secs Computing kpt #: 118 total cpu time spent up to now is 51.0 secs Computing kpt #: 119 total cpu time spent up to now is 51.4 secs Computing kpt #: 120 total cpu time spent up to now is 51.9 secs Computing kpt #: 121 total cpu time spent up to now is 52.3 secs Computing kpt #: 122 total cpu time spent up to now is 52.7 secs Computing kpt #: 123 total cpu time spent up to now is 53.1 secs Computing kpt #: 124 total cpu time spent up to now is 53.5 secs Computing kpt #: 125 total cpu time spent up to now is 53.9 secs Computing kpt #: 126 total cpu time spent up to now is 54.4 secs Computing kpt #: 127 total cpu time spent up to now is 54.8 secs Computing kpt #: 128 total cpu time spent up to now is 55.2 secs Computing kpt #: 129 total cpu time spent up to now is 55.6 secs Computing kpt #: 130 total cpu time spent up to now is 56.0 secs Computing kpt #: 131 total cpu time spent up to now is 56.4 secs Computing kpt #: 132 total cpu time spent up to now is 56.8 secs Computing kpt #: 133 total cpu time spent up to now is 57.3 secs Computing kpt #: 134 total cpu time spent up to now is 57.7 secs Computing kpt #: 135 total cpu time spent up to now is 58.1 secs Computing kpt #: 136 total cpu time spent up to now is 58.5 secs Computing kpt #: 137 total cpu time spent up to now is 58.9 secs Computing kpt #: 138 total cpu time spent up to now is 59.3 secs Computing kpt #: 139 total cpu time spent up to now is 59.7 secs Computing kpt #: 140 total cpu time spent up to now is 60.1 secs Computing kpt #: 141 total cpu time spent up to now is 60.5 secs Computing kpt #: 142 total cpu time spent up to now is 60.9 secs Computing kpt #: 143 total cpu time spent up to now is 61.4 secs Computing kpt #: 144 total cpu time spent up to now is 61.8 secs Computing kpt #: 145 total cpu time spent up to now is 62.2 secs Computing kpt #: 146 total cpu time spent up to now is 62.6 secs Computing kpt #: 147 total cpu time spent up to now is 63.0 secs Computing kpt #: 148 total cpu time spent up to now is 63.4 secs Computing kpt #: 149 total cpu time spent up to now is 63.8 secs Computing kpt #: 150 total cpu time spent up to now is 64.2 secs Computing kpt #: 151 total cpu time spent up to now is 64.7 secs Computing kpt #: 152 total cpu time spent up to now is 65.1 secs Computing kpt #: 153 total cpu time spent up to now is 65.5 secs Computing kpt #: 154 total cpu time spent up to now is 65.9 secs Computing kpt #: 155 total cpu time spent up to now is 66.3 secs Computing kpt #: 156 total cpu time spent up to now is 66.8 secs Computing kpt #: 157 total cpu time spent up to now is 67.2 secs Computing kpt #: 158 total cpu time spent up to now is 67.6 secs Computing kpt #: 159 total cpu time spent up to now is 68.0 secs Computing kpt #: 160 total cpu time spent up to now is 68.4 secs Computing kpt #: 161 total cpu time spent up to now is 68.8 secs Computing kpt #: 162 total cpu time spent up to now is 69.2 secs Computing kpt #: 163 total cpu time spent up to now is 69.6 secs Computing kpt #: 164 total cpu time spent up to now is 70.0 secs Computing kpt #: 165 total cpu time spent up to now is 70.4 secs Computing kpt #: 166 total cpu time spent up to now is 70.8 secs Computing kpt #: 167 total cpu time spent up to now is 71.2 secs Computing kpt #: 168 total cpu time spent up to now is 71.6 secs Computing kpt #: 169 total cpu time spent up to now is 72.0 secs Computing kpt #: 170 total cpu time spent up to now is 72.4 secs Computing kpt #: 171 total cpu time spent up to now is 72.8 secs Computing kpt #: 172 total cpu time spent up to now is 73.2 secs Computing kpt #: 173 total cpu time spent up to now is 73.6 secs Computing kpt #: 174 total cpu time spent up to now is 74.0 secs Computing kpt #: 175 total cpu time spent up to now is 74.4 secs Computing kpt #: 176 total cpu time spent up to now is 74.8 secs Computing kpt #: 177 total cpu time spent up to now is 75.1 secs Computing kpt #: 178 total cpu time spent up to now is 75.5 secs Computing kpt #: 179 total cpu time spent up to now is 75.9 secs Computing kpt #: 180 total cpu time spent up to now is 76.3 secs Computing kpt #: 181 total cpu time spent up to now is 76.6 secs Computing kpt #: 182 total cpu time spent up to now is 77.0 secs Computing kpt #: 183 total cpu time spent up to now is 77.4 secs Computing kpt #: 184 total cpu time spent up to now is 77.8 secs Computing kpt #: 185 total cpu time spent up to now is 78.1 secs Computing kpt #: 186 total cpu time spent up to now is 78.5 secs Computing kpt #: 187 total cpu time spent up to now is 78.9 secs Computing kpt #: 188 total cpu time spent up to now is 79.3 secs Computing kpt #: 189 total cpu time spent up to now is 79.7 secs Computing kpt #: 190 total cpu time spent up to now is 80.0 secs Computing kpt #: 191 total cpu time spent up to now is 80.4 secs Computing kpt #: 192 total cpu time spent up to now is 80.8 secs Computing kpt #: 193 total cpu time spent up to now is 81.2 secs Computing kpt #: 194 total cpu time spent up to now is 81.6 secs Computing kpt #: 195 total cpu time spent up to now is 81.9 secs Computing kpt #: 196 total cpu time spent up to now is 82.3 secs Computing kpt #: 197 total cpu time spent up to now is 82.7 secs Computing kpt #: 198 total cpu time spent up to now is 83.1 secs Computing kpt #: 199 total cpu time spent up to now is 83.5 secs Computing kpt #: 200 total cpu time spent up to now is 83.9 secs Computing kpt #: 201 total cpu time spent up to now is 84.2 secs Computing kpt #: 202 total cpu time spent up to now is 84.6 secs Computing kpt #: 203 total cpu time spent up to now is 85.0 secs Computing kpt #: 204 total cpu time spent up to now is 85.4 secs Computing kpt #: 205 total cpu time spent up to now is 85.8 secs Computing kpt #: 206 total cpu time spent up to now is 86.2 secs Computing kpt #: 207 total cpu time spent up to now is 86.6 secs Computing kpt #: 208 total cpu time spent up to now is 86.9 secs Computing kpt #: 209 total cpu time spent up to now is 87.3 secs Computing kpt #: 210 total cpu time spent up to now is 87.7 secs Computing kpt #: 211 total cpu time spent up to now is 88.1 secs Computing kpt #: 212 total cpu time spent up to now is 88.4 secs Computing kpt #: 213 total cpu time spent up to now is 88.8 secs Computing kpt #: 214 total cpu time spent up to now is 89.2 secs Computing kpt #: 215 total cpu time spent up to now is 89.6 secs Computing kpt #: 216 total cpu time spent up to now is 90.0 secs Computing kpt #: 217 total cpu time spent up to now is 90.4 secs Computing kpt #: 218 total cpu time spent up to now is 90.7 secs Computing kpt #: 219 total cpu time spent up to now is 91.1 secs Computing kpt #: 220 total cpu time spent up to now is 91.5 secs Computing kpt #: 221 total cpu time spent up to now is 91.9 secs Computing kpt #: 222 total cpu time spent up to now is 92.3 secs Computing kpt #: 223 total cpu time spent up to now is 92.7 secs Computing kpt #: 224 total cpu time spent up to now is 93.1 secs Computing kpt #: 225 total cpu time spent up to now is 93.5 secs Computing kpt #: 226 total cpu time spent up to now is 93.9 secs Computing kpt #: 227 total cpu time spent up to now is 94.3 secs Computing kpt #: 228 total cpu time spent up to now is 94.7 secs Computing kpt #: 229 total cpu time spent up to now is 95.1 secs Computing kpt #: 230 total cpu time spent up to now is 95.5 secs Computing kpt #: 231 total cpu time spent up to now is 95.9 secs Computing kpt #: 232 total cpu time spent up to now is 96.3 secs Computing kpt #: 233 total cpu time spent up to now is 96.7 secs Computing kpt #: 234 total cpu time spent up to now is 97.2 secs Computing kpt #: 235 total cpu time spent up to now is 97.6 secs Computing kpt #: 236 total cpu time spent up to now is 98.0 secs Computing kpt #: 237 total cpu time spent up to now is 98.4 secs Computing kpt #: 238 total cpu time spent up to now is 98.8 secs Computing kpt #: 239 total cpu time spent up to now is 99.2 secs Computing kpt #: 240 total cpu time spent up to now is 99.6 secs Computing kpt #: 241 total cpu time spent up to now is 100.0 secs Computing kpt #: 242 total cpu time spent up to now is 100.4 secs Computing kpt #: 243 total cpu time spent up to now is 100.8 secs Computing kpt #: 244 total cpu time spent up to now is 101.2 secs Computing kpt #: 245 total cpu time spent up to now is 101.6 secs Computing kpt #: 246 total cpu time spent up to now is 102.1 secs Computing kpt #: 247 total cpu time spent up to now is 102.5 secs Computing kpt #: 248 total cpu time spent up to now is 102.9 secs Computing kpt #: 249 total cpu time spent up to now is 103.3 secs Computing kpt #: 250 total cpu time spent up to now is 103.7 secs Computing kpt #: 251 total cpu time spent up to now is 104.1 secs Computing kpt #: 252 total cpu time spent up to now is 104.6 secs Computing kpt #: 253 total cpu time spent up to now is 105.0 secs Computing kpt #: 254 total cpu time spent up to now is 105.4 secs Computing kpt #: 255 total cpu time spent up to now is 105.8 secs Computing kpt #: 256 total cpu time spent up to now is 106.3 secs Computing kpt #: 257 total cpu time spent up to now is 106.7 secs Computing kpt #: 258 total cpu time spent up to now is 107.1 secs Computing kpt #: 259 total cpu time spent up to now is 107.5 secs Computing kpt #: 260 total cpu time spent up to now is 107.9 secs Computing kpt #: 261 total cpu time spent up to now is 108.3 secs Computing kpt #: 262 total cpu time spent up to now is 108.7 secs Computing kpt #: 263 total cpu time spent up to now is 109.1 secs Computing kpt #: 264 total cpu time spent up to now is 109.5 secs Computing kpt #: 265 total cpu time spent up to now is 109.9 secs Computing kpt #: 266 total cpu time spent up to now is 110.3 secs Computing kpt #: 267 total cpu time spent up to now is 110.7 secs Computing kpt #: 268 total cpu time spent up to now is 111.1 secs Computing kpt #: 269 total cpu time spent up to now is 111.5 secs Computing kpt #: 270 total cpu time spent up to now is 111.9 secs Computing kpt #: 271 total cpu time spent up to now is 112.4 secs Computing kpt #: 272 total cpu time spent up to now is 112.8 secs Computing kpt #: 273 total cpu time spent up to now is 113.2 secs Computing kpt #: 274 total cpu time spent up to now is 113.6 secs Computing kpt #: 275 total cpu time spent up to now is 114.0 secs Computing kpt #: 276 total cpu time spent up to now is 114.4 secs Computing kpt #: 277 total cpu time spent up to now is 114.8 secs Computing kpt #: 278 total cpu time spent up to now is 115.2 secs Computing kpt #: 279 total cpu time spent up to now is 115.6 secs Computing kpt #: 280 total cpu time spent up to now is 116.0 secs Computing kpt #: 281 total cpu time spent up to now is 116.4 secs Computing kpt #: 282 total cpu time spent up to now is 116.8 secs Computing kpt #: 283 total cpu time spent up to now is 117.1 secs Computing kpt #: 284 total cpu time spent up to now is 117.5 secs Computing kpt #: 285 total cpu time spent up to now is 117.9 secs Computing kpt #: 286 total cpu time spent up to now is 118.3 secs Computing kpt #: 287 total cpu time spent up to now is 118.7 secs Computing kpt #: 288 total cpu time spent up to now is 119.1 secs Computing kpt #: 289 total cpu time spent up to now is 119.5 secs Computing kpt #: 290 total cpu time spent up to now is 119.9 secs Computing kpt #: 291 total cpu time spent up to now is 120.3 secs Computing kpt #: 292 total cpu time spent up to now is 120.7 secs Computing kpt #: 293 total cpu time spent up to now is 121.1 secs Computing kpt #: 294 total cpu time spent up to now is 121.5 secs Computing kpt #: 295 total cpu time spent up to now is 121.9 secs Computing kpt #: 296 total cpu time spent up to now is 122.3 secs Computing kpt #: 297 total cpu time spent up to now is 122.7 secs Computing kpt #: 298 total cpu time spent up to now is 123.1 secs Computing kpt #: 299 total cpu time spent up to now is 123.5 secs Computing kpt #: 300 total cpu time spent up to now is 123.9 secs Computing kpt #: 301 total cpu time spent up to now is 124.3 secs Computing kpt #: 302 total cpu time spent up to now is 124.7 secs Computing kpt #: 303 total cpu time spent up to now is 125.1 secs Computing kpt #: 304 total cpu time spent up to now is 125.6 secs Computing kpt #: 305 total cpu time spent up to now is 126.0 secs Computing kpt #: 306 total cpu time spent up to now is 126.4 secs Computing kpt #: 307 total cpu time spent up to now is 126.8 secs Computing kpt #: 308 total cpu time spent up to now is 127.2 secs Computing kpt #: 309 total cpu time spent up to now is 127.7 secs Computing kpt #: 310 total cpu time spent up to now is 128.1 secs Computing kpt #: 311 total cpu time spent up to now is 128.5 secs Computing kpt #: 312 total cpu time spent up to now is 128.9 secs Computing kpt #: 313 total cpu time spent up to now is 129.3 secs Computing kpt #: 314 total cpu time spent up to now is 129.7 secs Computing kpt #: 315 total cpu time spent up to now is 130.2 secs Computing kpt #: 316 total cpu time spent up to now is 130.6 secs Computing kpt #: 317 total cpu time spent up to now is 131.0 secs Computing kpt #: 318 total cpu time spent up to now is 131.4 secs Computing kpt #: 319 total cpu time spent up to now is 131.8 secs Computing kpt #: 320 total cpu time spent up to now is 132.2 secs Computing kpt #: 321 total cpu time spent up to now is 132.7 secs Computing kpt #: 322 total cpu time spent up to now is 133.1 secs Computing kpt #: 323 total cpu time spent up to now is 133.5 secs Computing kpt #: 324 total cpu time spent up to now is 133.9 secs Computing kpt #: 325 total cpu time spent up to now is 134.3 secs Computing kpt #: 326 total cpu time spent up to now is 134.7 secs Computing kpt #: 327 total cpu time spent up to now is 135.1 secs Computing kpt #: 328 total cpu time spent up to now is 135.5 secs Computing kpt #: 329 total cpu time spent up to now is 135.9 secs Computing kpt #: 330 total cpu time spent up to now is 136.3 secs Computing kpt #: 331 total cpu time spent up to now is 136.7 secs Computing kpt #: 332 total cpu time spent up to now is 137.1 secs Computing kpt #: 333 total cpu time spent up to now is 137.6 secs Computing kpt #: 334 total cpu time spent up to now is 138.0 secs Computing kpt #: 335 total cpu time spent up to now is 138.4 secs Computing kpt #: 336 total cpu time spent up to now is 138.8 secs Computing kpt #: 337 total cpu time spent up to now is 139.2 secs Computing kpt #: 338 total cpu time spent up to now is 139.6 secs Computing kpt #: 339 total cpu time spent up to now is 140.1 secs Computing kpt #: 340 total cpu time spent up to now is 140.5 secs Computing kpt #: 341 total cpu time spent up to now is 140.9 secs Computing kpt #: 342 total cpu time spent up to now is 141.3 secs Computing kpt #: 343 total cpu time spent up to now is 141.8 secs Computing kpt #: 344 total cpu time spent up to now is 142.4 secs Computing kpt #: 345 total cpu time spent up to now is 143.0 secs Computing kpt #: 346 total cpu time spent up to now is 143.5 secs Computing kpt #: 347 total cpu time spent up to now is 143.9 secs Computing kpt #: 348 total cpu time spent up to now is 144.3 secs Computing kpt #: 349 total cpu time spent up to now is 144.7 secs Computing kpt #: 350 total cpu time spent up to now is 145.1 secs Computing kpt #: 351 total cpu time spent up to now is 145.6 secs Computing kpt #: 352 total cpu time spent up to now is 146.0 secs Computing kpt #: 353 total cpu time spent up to now is 146.4 secs Computing kpt #: 354 total cpu time spent up to now is 146.8 secs Computing kpt #: 355 total cpu time spent up to now is 147.2 secs Computing kpt #: 356 total cpu time spent up to now is 147.6 secs Computing kpt #: 357 total cpu time spent up to now is 148.0 secs Computing kpt #: 358 total cpu time spent up to now is 148.4 secs Computing kpt #: 359 total cpu time spent up to now is 148.8 secs Computing kpt #: 360 total cpu time spent up to now is 149.2 secs Computing kpt #: 361 total cpu time spent up to now is 149.6 secs Computing kpt #: 362 total cpu time spent up to now is 150.0 secs Computing kpt #: 363 total cpu time spent up to now is 150.4 secs Computing kpt #: 364 total cpu time spent up to now is 150.8 secs Computing kpt #: 365 total cpu time spent up to now is 151.2 secs Computing kpt #: 366 total cpu time spent up to now is 151.6 secs Computing kpt #: 367 total cpu time spent up to now is 152.0 secs Computing kpt #: 368 total cpu time spent up to now is 152.4 secs Computing kpt #: 369 total cpu time spent up to now is 152.8 secs Computing kpt #: 370 total cpu time spent up to now is 153.2 secs Computing kpt #: 371 total cpu time spent up to now is 153.6 secs Computing kpt #: 372 total cpu time spent up to now is 154.0 secs Computing kpt #: 373 total cpu time spent up to now is 154.4 secs Computing kpt #: 374 total cpu time spent up to now is 154.8 secs Computing kpt #: 375 total cpu time spent up to now is 155.2 secs Computing kpt #: 376 total cpu time spent up to now is 155.6 secs Computing kpt #: 377 total cpu time spent up to now is 156.0 secs Computing kpt #: 378 total cpu time spent up to now is 156.4 secs Computing kpt #: 379 total cpu time spent up to now is 156.8 secs Computing kpt #: 380 total cpu time spent up to now is 157.2 secs Computing kpt #: 381 total cpu time spent up to now is 157.6 secs Computing kpt #: 382 total cpu time spent up to now is 158.0 secs Computing kpt #: 383 total cpu time spent up to now is 158.4 secs Computing kpt #: 384 total cpu time spent up to now is 158.8 secs Computing kpt #: 385 total cpu time spent up to now is 159.2 secs Computing kpt #: 386 total cpu time spent up to now is 159.6 secs Computing kpt #: 387 total cpu time spent up to now is 160.0 secs Computing kpt #: 388 total cpu time spent up to now is 160.4 secs Computing kpt #: 389 total cpu time spent up to now is 160.8 secs Computing kpt #: 390 total cpu time spent up to now is 161.2 secs Computing kpt #: 391 total cpu time spent up to now is 161.6 secs Computing kpt #: 392 total cpu time spent up to now is 162.0 secs Computing kpt #: 393 total cpu time spent up to now is 162.4 secs Computing kpt #: 394 total cpu time spent up to now is 162.8 secs Computing kpt #: 395 total cpu time spent up to now is 163.2 secs Computing kpt #: 396 total cpu time spent up to now is 163.5 secs Computing kpt #: 397 total cpu time spent up to now is 163.9 secs Computing kpt #: 398 total cpu time spent up to now is 164.3 secs Computing kpt #: 399 total cpu time spent up to now is 164.7 secs Computing kpt #: 400 total cpu time spent up to now is 165.1 secs Computing kpt #: 401 total cpu time spent up to now is 165.5 secs Computing kpt #: 402 total cpu time spent up to now is 165.9 secs Computing kpt #: 403 total cpu time spent up to now is 166.3 secs Computing kpt #: 404 total cpu time spent up to now is 166.7 secs Computing kpt #: 405 total cpu time spent up to now is 167.1 secs Computing kpt #: 406 total cpu time spent up to now is 167.5 secs Computing kpt #: 407 total cpu time spent up to now is 167.9 secs Computing kpt #: 408 total cpu time spent up to now is 168.3 secs Computing kpt #: 409 total cpu time spent up to now is 168.7 secs Computing kpt #: 410 total cpu time spent up to now is 169.1 secs Computing kpt #: 411 total cpu time spent up to now is 169.6 secs Computing kpt #: 412 total cpu time spent up to now is 170.0 secs Computing kpt #: 413 total cpu time spent up to now is 170.4 secs Computing kpt #: 414 total cpu time spent up to now is 170.8 secs Computing kpt #: 415 total cpu time spent up to now is 171.2 secs Computing kpt #: 416 total cpu time spent up to now is 171.6 secs Computing kpt #: 417 total cpu time spent up to now is 172.0 secs Computing kpt #: 418 total cpu time spent up to now is 172.5 secs Computing kpt #: 419 total cpu time spent up to now is 172.9 secs Computing kpt #: 420 total cpu time spent up to now is 173.3 secs Computing kpt #: 421 total cpu time spent up to now is 173.7 secs Computing kpt #: 422 total cpu time spent up to now is 174.1 secs Computing kpt #: 423 total cpu time spent up to now is 174.6 secs ethr = 3.57E-08, avg # of iterations = 12.2 total cpu time spent up to now is 174.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7751 -8.7751 -7.3542 -7.3542 4.0643 4.0643 6.2431 6.2431 6.2510 6.2510 8.2226 8.2226 8.7494 8.7494 8.7797 8.7797 12.0108 12.0108 12.0168 12.0168 12.7433 12.7433 15.1793 15.1793 15.1804 15.1804 k = 0.0077-0.0124-0.0076 ( 4064 PWs) bands (ev): -53.0658 -53.0658 -33.9607 -33.9607 -27.3621 -27.3621 -26.5655 -26.5655 -26.4904 -26.4904 -8.7743 -8.7743 -7.3543 -7.3543 4.0653 4.0653 6.2420 6.2420 6.2503 6.2503 8.2240 8.2240 8.7468 8.7468 8.7772 8.7772 12.0116 12.0116 12.0177 12.0177 12.7435 12.7435 15.1777 15.1777 15.1799 15.1799 k = 0.0154-0.0249-0.0151 ( 4062 PWs) bands (ev): -53.0657 -53.0657 -33.9606 -33.9606 -27.3623 -27.3623 -26.5656 -26.5656 -26.4909 -26.4909 -8.7721 -8.7721 -7.3545 -7.3545 4.0683 4.0683 6.2371 6.2371 6.2499 6.2499 8.2284 8.2284 8.7386 8.7386 8.7702 8.7702 12.0136 12.0136 12.0210 12.0210 12.7441 12.7441 15.1716 15.1716 15.1795 15.1795 k = 0.0231-0.0373-0.0227 ( 4062 PWs) bands (ev): -53.0655 -53.0655 -33.9605 -33.9605 -27.3627 -27.3627 -26.5658 -26.5658 -26.4919 -26.4919 -8.7683 -8.7683 -7.3549 -7.3549 4.0733 4.0733 6.2272 6.2272 6.2509 6.2509 8.2355 8.2355 8.7234 8.7234 8.7602 8.7602 12.0159 12.0159 12.0273 12.0273 12.7452 12.7452 15.1614 15.1614 15.1790 15.1790 k = 0.0308-0.0498-0.0303 ( 4062 PWs) bands (ev): -53.0652 -53.0652 -33.9604 -33.9604 -27.3633 -27.3633 -26.5660 -26.5660 -26.4932 -26.4932 -8.7631 -8.7631 -7.3554 -7.3554 4.0803 4.0803 6.2129 6.2129 6.2531 6.2531 8.2452 8.2452 8.7004 8.7004 8.7482 8.7482 12.0184 12.0184 12.0366 12.0366 12.7468 12.7468 15.1476 15.1476 15.1784 15.1784 k = 0.0385-0.0622-0.0378 ( 4062 PWs) bands (ev): -53.0649 -53.0649 -33.9602 -33.9602 -27.3640 -27.3640 -26.5663 -26.5663 -26.4949 -26.4949 -8.7563 -8.7563 -7.3561 -7.3561 4.0892 4.0892 6.1947 6.1947 6.2561 6.2561 8.2571 8.2571 8.6695 8.6695 8.7347 8.7347 12.0212 12.0212 12.0488 12.0488 12.7488 12.7488 15.1303 15.1303 15.1775 15.1775 k = 0.0462-0.0746-0.0454 ( 4064 PWs) bands (ev): -53.0644 -53.0644 -33.9600 -33.9600 -27.3649 -27.3649 -26.5667 -26.5667 -26.4969 -26.4969 -8.7481 -8.7481 -7.3569 -7.3569 4.1000 4.1000 6.1731 6.1731 6.2598 6.2598 8.2707 8.2707 8.6313 8.6313 8.7193 8.7193 12.0241 12.0241 12.0635 12.0635 12.7515 12.7515 15.1099 15.1099 15.1766 15.1766 k = 0.0538-0.0871-0.0530 ( 4063 PWs) bands (ev): -53.0639 -53.0639 -33.9598 -33.9598 -27.3660 -27.3660 -26.5671 -26.5671 -26.4992 -26.4992 -8.7385 -8.7385 -7.3579 -7.3579 4.1128 4.1128 6.1484 6.1484 6.2642 6.2642 8.2857 8.2857 8.5866 8.5866 8.7021 8.7021 12.0271 12.0271 12.0806 12.0806 12.7547 12.7547 15.0869 15.0869 15.1755 15.1755 k = 0.0615-0.0995-0.0606 ( 4064 PWs) bands (ev): -53.0633 -53.0633 -33.9595 -33.9595 -27.3672 -27.3672 -26.5677 -26.5677 -26.5018 -26.5018 -8.7274 -8.7274 -7.3590 -7.3590 4.1275 4.1275 6.1209 6.1209 6.2693 6.2693 8.3013 8.3013 8.5359 8.5359 8.6829 8.6829 12.0299 12.0299 12.1000 12.1000 12.7587 12.7587 15.0618 15.0618 15.1743 15.1743 k = 0.0692-0.1120-0.0681 ( 4070 PWs) bands (ev): -53.0626 -53.0626 -33.9592 -33.9592 -27.3686 -27.3686 -26.5684 -26.5684 -26.5047 -26.5047 -8.7149 -8.7149 -7.3602 -7.3602 4.1441 4.1441 6.0910 6.0910 6.2749 6.2749 8.3164 8.3164 8.4806 8.4806 8.6619 8.6619 12.0325 12.0325 12.1216 12.1216 12.7635 12.7635 15.0350 15.0350 15.1730 15.1730 k = 0.0769-0.1244-0.0757 ( 4074 PWs) bands (ev): -53.0619 -53.0619 -33.9588 -33.9588 -27.3702 -27.3702 -26.5693 -26.5693 -26.5079 -26.5079 -8.7010 -8.7010 -7.3616 -7.3616 4.1626 4.1626 6.0592 6.0592 6.2810 6.2810 8.3272 8.3272 8.4242 8.4242 8.6391 8.6391 12.0346 12.0346 12.1450 12.1450 12.7691 12.7691 15.0070 15.0070 15.1717 15.1717 k = 0.0846-0.1369-0.0833 ( 4078 PWs) bands (ev): -53.0610 -53.0610 -33.9585 -33.9585 -27.3719 -27.3719 -26.5703 -26.5703 -26.5111 -26.5111 -8.6858 -8.6858 -7.3631 -7.3631 4.1828 4.1828 6.0257 6.0257 6.2877 6.2877 8.3143 8.3143 8.3863 8.3863 8.6148 8.6148 12.0361 12.0361 12.1703 12.1703 12.7756 12.7756 14.9783 14.9783 15.1703 15.1703 k = 0.0923-0.1493-0.0908 ( 4080 PWs) bands (ev): -53.0602 -53.0602 -33.9580 -33.9580 -27.3739 -27.3739 -26.5715 -26.5715 -26.5146 -26.5146 -8.6692 -8.6692 -7.3648 -7.3648 4.2048 4.2048 5.9910 5.9910 6.2948 6.2948 8.2576 8.2576 8.3868 8.3868 8.5891 8.5891 12.0368 12.0368 12.1971 12.1971 12.7831 12.7831 14.9493 14.9493 15.1690 15.1690 k = 0.1000-0.1617-0.0984 ( 4082 PWs) bands (ev): -53.0592 -53.0592 -33.9576 -33.9576 -27.3760 -27.3760 -26.5730 -26.5730 -26.5181 -26.5181 -8.6514 -8.6514 -7.3665 -7.3665 4.2285 4.2285 5.9553 5.9553 6.3024 6.3024 8.1844 8.1844 8.3985 8.3985 8.5623 8.5623 12.0367 12.0367 12.2254 12.2254 12.7916 12.7916 14.9206 14.9206 15.1678 15.1678 k = 0.1077-0.1742-0.1060 ( 4084 PWs) bands (ev): -53.0582 -53.0582 -33.9571 -33.9571 -27.3782 -27.3782 -26.5747 -26.5747 -26.5215 -26.5215 -8.6323 -8.6323 -7.3684 -7.3684 4.2538 4.2538 5.9189 5.9189 6.3103 6.3103 8.1046 8.1046 8.4113 8.4113 8.5345 8.5345 12.0355 12.0355 12.2549 12.2549 12.8012 12.8012 14.8925 14.8925 15.1666 15.1666 k = 0.1154-0.1866-0.1135 ( 4092 PWs) bands (ev): -53.0571 -53.0571 -33.9566 -33.9566 -27.3807 -27.3807 -26.5769 -26.5769 -26.5249 -26.5249 -8.6120 -8.6120 -7.3703 -7.3703 4.2808 4.2808 5.8823 5.8823 6.3186 6.3186 8.0203 8.0203 8.4229 8.4229 8.5061 8.5061 12.0332 12.0332 12.2855 12.2855 12.8120 12.8120 14.8655 14.8655 15.1656 15.1656 k = 0.1231-0.1991-0.1211 ( 4092 PWs) bands (ev): -53.0559 -53.0559 -33.9561 -33.9561 -27.3833 -27.3833 -26.5794 -26.5794 -26.5282 -26.5282 -8.5905 -8.5905 -7.3724 -7.3724 4.3092 4.3092 5.8455 5.8455 6.3270 6.3270 7.9324 7.9324 8.4317 8.4317 8.4783 8.4783 12.0298 12.0298 12.3170 12.3170 12.8238 12.8238 14.8398 14.8398 15.1648 15.1648 k = 0.1308-0.2115-0.1287 ( 4098 PWs) bands (ev): -53.0547 -53.0547 -33.9555 -33.9555 -27.3861 -27.3861 -26.5825 -26.5825 -26.5312 -26.5312 -8.5680 -8.5680 -7.3745 -7.3745 4.3391 4.3391 5.8090 5.8090 6.3357 6.3357 7.8414 7.8414 8.4309 8.4309 8.4574 8.4574 12.0251 12.0251 12.3492 12.3492 12.8368 12.8368 14.8158 14.8158 15.1641 15.1641 k = 0.1385-0.2239-0.1363 ( 4097 PWs) bands (ev): -53.0535 -53.0535 -33.9550 -33.9550 -27.3891 -27.3891 -26.5860 -26.5860 -26.5339 -26.5339 -8.5443 -8.5443 -7.3766 -7.3766 4.3703 4.3703 5.7730 5.7730 6.3445 6.3445 7.7477 7.7477 8.4090 8.4090 8.4550 8.4550 12.0193 12.0193 12.3821 12.3821 12.8509 12.8509 14.7938 14.7938 15.1637 15.1637 k = 0.1462-0.2364-0.1438 ( 4099 PWs) bands (ev): -53.0521 -53.0521 -33.9544 -33.9544 -27.3923 -27.3923 -26.5900 -26.5900 -26.5362 -26.5362 -8.5197 -8.5197 -7.3789 -7.3789 4.4028 4.4028 5.7376 5.7376 6.3534 6.3534 7.6516 7.6516 8.3800 8.3800 8.4568 8.4568 12.0123 12.0123 12.4154 12.4154 12.8661 12.8661 14.7741 14.7741 15.1636 15.1636 k = 0.1538-0.2488-0.1514 ( 4097 PWs) bands (ev): -53.0508 -53.0508 -33.9537 -33.9537 -27.3957 -27.3957 -26.5946 -26.5946 -26.5383 -26.5383 -8.4941 -8.4941 -7.3811 -7.3811 4.4363 4.4363 5.7033 5.7033 6.3622 6.3622 7.5536 7.5536 8.3498 8.3498 8.4570 8.4570 12.0041 12.0041 12.4490 12.4490 12.8824 12.8824 14.7567 14.7567 15.1638 15.1638 k = 0.1615-0.2613-0.1590 ( 4093 PWs) bands (ev): -53.0493 -53.0493 -33.9531 -33.9531 -27.3992 -27.3992 -26.5996 -26.5996 -26.5400 -26.5400 -8.4676 -8.4676 -7.3834 -7.3834 4.4708 4.4708 5.6700 5.6700 6.3710 6.3710 7.4539 7.4539 8.3194 8.3194 8.4545 8.4545 11.9947 11.9947 12.4828 12.4828 12.8998 12.8998 14.7419 14.7419 15.1644 15.1644 k = 0.1692-0.2737-0.1665 ( 4091 PWs) bands (ev): -53.0479 -53.0479 -33.9524 -33.9524 -27.4030 -27.4030 -26.6050 -26.6050 -26.5414 -26.5414 -8.4403 -8.4403 -7.3856 -7.3856 4.5061 4.5061 5.6382 5.6382 6.3796 6.3796 7.3529 7.3529 8.2892 8.2892 8.4490 8.4490 11.9843 11.9843 12.5166 12.5166 12.9181 12.9181 14.7297 14.7297 15.1653 15.1653 k = 0.1769-0.2862-0.1741 ( 4090 PWs) bands (ev): -53.0464 -53.0464 -33.9517 -33.9517 -27.4069 -27.4069 -26.6108 -26.6108 -26.5425 -26.5425 -8.4122 -8.4122 -7.3878 -7.3878 4.5420 4.5420 5.6080 5.6080 6.3879 6.3879 7.2508 7.2508 8.2593 8.2593 8.4405 8.4405 11.9728 11.9728 12.5504 12.5504 12.9374 12.9374 14.7203 14.7203 15.1667 15.1667 k = 0.1846-0.2986-0.1817 ( 4087 PWs) bands (ev): -53.0448 -53.0448 -33.9510 -33.9510 -27.4109 -27.4109 -26.6168 -26.6168 -26.5434 -26.5434 -8.3835 -8.3835 -7.3899 -7.3899 4.5783 4.5783 5.5796 5.5796 6.3959 6.3959 7.1480 7.1480 8.2299 8.2299 8.4287 8.4287 11.9604 11.9604 12.5840 12.5840 12.9575 12.9575 14.7136 14.7136 15.1684 15.1684 k = 0.1923-0.3110-0.1892 ( 4088 PWs) bands (ev): -53.0433 -53.0433 -33.9503 -33.9503 -27.4152 -27.4152 -26.6232 -26.6232 -26.5441 -26.5441 -8.3543 -8.3543 -7.3920 -7.3920 4.6147 4.6147 5.5534 5.5534 6.4035 6.4035 7.0447 7.0447 8.2013 8.2013 8.4138 8.4138 11.9472 11.9472 12.6174 12.6174 12.9785 12.9785 14.7097 14.7097 15.1706 15.1706 k = 0.2000-0.3235-0.1968 ( 4090 PWs) bands (ev): -53.0417 -53.0417 -33.9495 -33.9495 -27.4196 -27.4196 -26.6297 -26.6297 -26.5446 -26.5446 -8.3245 -8.3245 -7.3939 -7.3939 4.6509 4.6509 5.5296 5.5296 6.4107 6.4107 6.9412 6.9412 8.1735 8.1735 8.3957 8.3957 11.9331 11.9331 12.6504 12.6504 13.0002 13.0002 14.7086 14.7086 15.1733 15.1733 k = 0.2077-0.3359-0.2044 ( 4088 PWs) bands (ev): -53.0401 -53.0401 -33.9488 -33.9488 -27.4242 -27.4242 -26.6364 -26.6364 -26.5450 -26.5450 -8.2943 -8.2943 -7.3956 -7.3956 4.6866 4.6866 5.5084 5.5084 6.4173 6.4173 6.8378 6.8378 8.1467 8.1467 8.3745 8.3745 11.9184 11.9184 12.6829 12.6829 13.0226 13.0226 14.7101 14.7101 15.1764 15.1764 k = 0.2154-0.3484-0.2120 ( 4091 PWs) bands (ev): -53.0384 -53.0384 -33.9480 -33.9480 -27.4289 -27.4289 -26.6432 -26.6432 -26.5452 -26.5452 -8.2638 -8.2638 -7.3971 -7.3971 4.7212 4.7212 5.4902 5.4902 6.4232 6.4232 6.7349 6.7349 8.1209 8.1209 8.3503 8.3503 11.9030 11.9030 12.7150 12.7150 13.0455 13.0455 14.7141 14.7141 15.1800 15.1800 k = 0.2231-0.3608-0.2195 ( 4091 PWs) bands (ev): -53.0367 -53.0367 -33.9472 -33.9472 -27.4338 -27.4338 -26.6501 -26.6501 -26.5453 -26.5453 -8.2331 -8.2331 -7.3984 -7.3984 4.7544 4.7544 5.4754 5.4754 6.4285 6.4285 6.6326 6.6326 8.0963 8.0963 8.3231 8.3231 11.8871 11.8871 12.7464 12.7464 13.0690 13.0690 14.7207 14.7207 15.1841 15.1841 k = 0.2308-0.3732-0.2271 ( 4088 PWs) bands (ev): -53.0351 -53.0351 -33.9465 -33.9465 -27.4388 -27.4388 -26.6570 -26.6570 -26.5453 -26.5453 -8.2024 -8.2024 -7.3993 -7.3993 4.7856 4.7856 5.4643 5.4643 6.4330 6.4330 6.5314 6.5314 8.0730 8.0730 8.2932 8.2932 11.8707 11.8707 12.7773 12.7773 13.0929 13.0929 14.7295 14.7295 15.1886 15.1886 k = 0.2385-0.3857-0.2347 ( 4089 PWs) bands (ev): -53.0334 -53.0334 -33.9457 -33.9457 -27.4439 -27.4439 -26.6639 -26.6639 -26.5452 -26.5452 -8.1717 -8.1717 -7.3998 -7.3998 4.8143 4.8143 5.4572 5.4572 6.4310 6.4310 6.4373 6.4373 8.0510 8.0510 8.2607 8.2607 11.8540 11.8540 12.8075 12.8075 13.1171 13.1171 14.7406 14.7406 15.1936 15.1936 k = 0.2462-0.3981-0.2422 ( 4086 PWs) bands (ev): -53.0317 -53.0317 -33.9449 -33.9449 -27.4492 -27.4492 -26.6708 -26.6708 -26.5450 -26.5450 -8.1412 -8.1412 -7.3999 -7.3999 4.8398 4.8398 5.4544 5.4544 6.3335 6.3335 6.4397 6.4397 8.0303 8.0303 8.2259 8.2259 11.8370 11.8370 12.8369 12.8369 13.1416 13.1416 14.7536 14.7536 15.1991 15.1991 k = 0.2538-0.4106-0.2498 ( 4086 PWs) bands (ev): -53.0300 -53.0300 -33.9441 -33.9441 -27.4545 -27.4545 -26.6777 -26.6777 -26.5448 -26.5448 -8.1110 -8.1110 -7.3994 -7.3994 4.8616 4.8616 5.4559 5.4559 6.2379 6.2379 6.4417 6.4417 8.0111 8.0111 8.1889 8.1889 11.8197 11.8197 12.8656 12.8656 13.1663 13.1663 14.7685 14.7685 15.2049 15.2049 k = 0.2615-0.4230-0.2574 ( 4086 PWs) bands (ev): -53.0283 -53.0283 -33.9433 -33.9433 -27.4600 -27.4600 -26.6845 -26.6845 -26.5445 -26.5445 -8.0812 -8.0812 -7.3984 -7.3984 4.8793 4.8793 5.4617 5.4617 6.1452 6.1452 6.4428 6.4428 7.9934 7.9934 8.1499 8.1499 11.8023 11.8023 12.8935 12.8935 13.1910 13.1910 14.7850 14.7850 15.2112 15.2112 k = 0.2692-0.4354-0.2649 ( 4086 PWs) bands (ev): -53.0266 -53.0266 -33.9426 -33.9426 -27.4655 -27.4655 -26.6912 -26.6912 -26.5442 -26.5442 -8.0521 -8.0521 -7.3966 -7.3966 4.8927 4.8927 5.4712 5.4712 6.0563 6.0563 6.4431 6.4431 7.9770 7.9770 8.1094 8.1094 11.7848 11.7848 12.9205 12.9205 13.2157 13.2157 14.8030 14.8030 15.2179 15.2179 k = 0.2769-0.4479-0.2725 ( 4088 PWs) bands (ev): -53.0249 -53.0249 -33.9418 -33.9418 -27.4711 -27.4711 -26.6978 -26.6978 -26.5438 -26.5438 -8.0238 -8.0238 -7.3940 -7.3940 4.9015 4.9015 5.4833 5.4833 5.9725 5.9725 6.4424 6.4424 7.9620 7.9620 8.0675 8.0675 11.7673 11.7673 12.9468 12.9468 13.2403 13.2403 14.8223 14.8223 15.2249 15.2249 k = 0.2846-0.4603-0.2801 ( 4084 PWs) bands (ev): -53.0232 -53.0232 -33.9410 -33.9410 -27.4767 -27.4767 -26.7042 -26.7042 -26.5433 -26.5433 -7.9965 -7.9965 -7.3905 -7.3905 4.9057 4.9057 5.4961 5.4961 5.8958 5.8958 6.4408 6.4408 7.9482 7.9482 8.0249 8.0249 11.7499 11.7499 12.9722 12.9722 13.2647 13.2647 14.8427 14.8427 15.2322 15.2322 k = 0.2923-0.4728-0.2877 ( 4083 PWs) bands (ev): -53.0216 -53.0216 -33.9403 -33.9403 -27.4824 -27.4824 -26.7106 -26.7106 -26.5428 -26.5428 -7.9703 -7.9703 -7.3860 -7.3860 4.9053 4.9053 5.5062 5.5062 5.8294 5.8294 6.4383 6.4383 7.9345 7.9345 7.9826 7.9826 11.7325 11.7325 12.9967 12.9967 13.2888 13.2888 14.8640 14.8640 15.2398 15.2398 k = 0.3000-0.4852-0.2952 ( 4085 PWs) bands (ev): -53.0199 -53.0199 -33.9395 -33.9395 -27.4881 -27.4881 -26.7168 -26.7168 -26.5423 -26.5423 -7.9454 -7.9454 -7.3803 -7.3803 4.9001 4.9001 5.5083 5.5083 5.7787 5.7787 6.4350 6.4350 7.9163 7.9163 7.9457 7.9457 11.7153 11.7153 13.0204 13.0204 13.3124 13.3124 14.8861 14.8861 15.2476 15.2476 k = 0.3077-0.4977-0.3028 ( 4087 PWs) bands (ev): -53.0183 -53.0183 -33.9388 -33.9388 -27.4937 -27.4937 -26.7228 -26.7228 -26.5417 -26.5417 -7.9219 -7.9219 -7.3736 -7.3736 4.8898 4.8898 5.4967 5.4967 5.7497 5.7497 6.4310 6.4310 7.8818 7.8818 7.9261 7.9261 11.6982 11.6982 13.0432 13.0432 13.3356 13.3356 14.9087 14.9087 15.2557 15.2557 k = 0.3154-0.5101-0.3104 ( 4091 PWs) bands (ev): -53.0168 -53.0168 -33.9380 -33.9380 -27.4994 -27.4994 -26.7286 -26.7286 -26.5412 -26.5412 -7.9000 -7.9000 -7.3655 -7.3655 4.8742 4.8742 5.4709 5.4709 5.7431 5.7431 6.4262 6.4262 7.8393 7.8393 7.9160 7.9160 11.6814 11.6814 13.0651 13.0651 13.3582 13.3582 14.9318 14.9318 15.2639 15.2639 k = 0.3231-0.5225-0.3179 ( 4092 PWs) bands (ev): -53.0152 -53.0152 -33.9373 -33.9373 -27.5050 -27.5050 -26.7343 -26.7343 -26.5406 -26.5406 -7.8799 -7.8799 -7.3562 -7.3562 4.8527 4.8527 5.4376 5.4376 5.7525 5.7525 6.4208 6.4208 7.7954 7.7954 7.9088 7.9088 11.6649 11.6649 13.0861 13.0861 13.3802 13.3802 14.9551 14.9551 15.2722 15.2722 k = 0.3308-0.5350-0.3255 ( 4094 PWs) bands (ev): -53.0137 -53.0137 -33.9366 -33.9366 -27.5105 -27.5105 -26.7398 -26.7398 -26.5400 -26.5400 -7.8615 -7.8615 -7.3457 -7.3457 4.8251 4.8251 5.4041 5.4041 5.7707 5.7707 6.4148 6.4148 7.7518 7.7518 7.9032 7.9032 11.6488 11.6488 13.1063 13.1063 13.4014 13.4014 14.9785 14.9785 15.2805 15.2805 k = 0.3385-0.5474-0.3331 ( 4092 PWs) bands (ev): -53.0122 -53.0122 -33.9360 -33.9360 -27.5160 -27.5160 -26.7450 -26.7450 -26.5393 -26.5393 -7.8448 -7.8448 -7.3339 -7.3339 4.7915 4.7915 5.3750 5.3750 5.7929 5.7929 6.4083 6.4083 7.7090 7.7090 7.8989 7.8989 11.6330 11.6330 13.1256 13.1256 13.4219 13.4219 15.0020 15.0020 15.2889 15.2889 k = 0.3462-0.5599-0.3406 ( 4092 PWs) bands (ev): -53.0108 -53.0108 -33.9353 -33.9353 -27.5214 -27.5214 -26.7501 -26.7501 -26.5387 -26.5387 -7.8300 -7.8300 -7.3210 -7.3210 4.7523 4.7523 5.3521 5.3521 5.8163 5.8163 6.4014 6.4014 7.6676 7.6676 7.8957 7.8957 11.6176 11.6176 13.1440 13.1440 13.4414 13.4414 15.0252 15.0252 15.2972 15.2972 k = 0.3538-0.5723-0.3482 ( 4093 PWs) bands (ev): -53.0094 -53.0094 -33.9347 -33.9347 -27.5266 -27.5266 -26.7549 -26.7549 -26.5381 -26.5381 -7.8170 -7.8170 -7.3070 -7.3070 4.7085 4.7085 5.3360 5.3360 5.8394 5.8394 6.3942 6.3942 7.6278 7.6278 7.8935 7.8935 11.6026 11.6026 13.1615 13.1615 13.4600 13.4600 15.0482 15.0482 15.3055 15.3055 k = 0.3615-0.5847-0.3558 ( 4097 PWs) bands (ev): -53.0081 -53.0081 -33.9341 -33.9341 -27.5317 -27.5317 -26.7595 -26.7595 -26.5375 -26.5375 -7.8056 -7.8056 -7.2922 -7.2922 4.6614 4.6614 5.3262 5.3262 5.8610 5.8610 6.3868 6.3868 7.5902 7.5902 7.8920 7.8920 11.5882 11.5882 13.1782 13.1782 13.4776 13.4776 15.0708 15.0708 15.3136 15.3136 k = 0.3692-0.5972-0.3634 ( 4097 PWs) bands (ev): -53.0068 -53.0068 -33.9335 -33.9335 -27.5367 -27.5367 -26.7639 -26.7639 -26.5369 -26.5369 -7.7957 -7.7957 -7.2767 -7.2767 4.6122 4.6122 5.3223 5.3223 5.8802 5.8802 6.3792 6.3792 7.5549 7.5549 7.8913 7.8913 11.5742 11.5742 13.1939 13.1939 13.4942 13.4942 15.0929 15.0929 15.3216 15.3216 k = 0.3769-0.6096-0.3709 ( 4093 PWs) bands (ev): -53.0056 -53.0056 -33.9329 -33.9329 -27.5415 -27.5415 -26.7680 -26.7680 -26.5362 -26.5362 -7.7873 -7.7873 -7.2607 -7.2607 4.5622 4.5622 5.3233 5.3233 5.8966 5.8966 6.3715 6.3715 7.5224 7.5224 7.8911 7.8911 11.5608 11.5608 13.2088 13.2088 13.5097 13.5097 15.1144 15.1144 15.3294 15.3294 k = 0.3846-0.6221-0.3785 ( 4099 PWs) bands (ev): -53.0044 -53.0044 -33.9324 -33.9324 -27.5461 -27.5461 -26.7720 -26.7720 -26.5356 -26.5356 -7.7802 -7.7802 -7.2445 -7.2445 4.5122 4.5122 5.3286 5.3286 5.9095 5.9095 6.3639 6.3639 7.4928 7.4928 7.8915 7.8915 11.5480 11.5480 13.2228 13.2228 13.5242 13.5242 15.1352 15.1352 15.3369 15.3369 k = 0.3923-0.6345-0.3861 ( 4098 PWs) bands (ev): -53.0033 -53.0033 -33.9319 -33.9319 -27.5505 -27.5505 -26.7756 -26.7756 -26.5351 -26.5351 -7.7741 -7.7741 -7.2283 -7.2283 4.4631 4.4631 5.3376 5.3376 5.9186 5.9186 6.3564 6.3564 7.4664 7.4664 7.8922 7.8922 11.5358 11.5358 13.2360 13.2360 13.5375 13.5375 15.1552 15.1552 15.3441 15.3441 k = 0.4000-0.6469-0.3936 ( 4090 PWs) bands (ev): -53.0023 -53.0023 -33.9314 -33.9314 -27.5546 -27.5546 -26.7791 -26.7791 -26.5345 -26.5345 -7.7691 -7.7691 -7.2123 -7.2123 4.4155 4.4155 5.3497 5.3497 5.9237 5.9237 6.3491 6.3491 7.4432 7.4432 7.8933 7.8933 11.5242 11.5242 13.2483 13.2483 13.5498 13.5498 15.1743 15.1743 15.3510 15.3510 k = 0.4077-0.6594-0.4012 ( 4090 PWs) bands (ev): -53.0013 -53.0013 -33.9310 -33.9310 -27.5585 -27.5585 -26.7822 -26.7822 -26.5340 -26.5340 -7.7650 -7.7650 -7.1966 -7.1966 4.3701 4.3701 5.3648 5.3648 5.9246 5.9246 6.3420 6.3420 7.4232 7.4232 7.8947 7.8947 11.5134 11.5134 13.2596 13.2596 13.5609 13.5609 15.1924 15.1924 15.3575 15.3575 k = 0.4154-0.6718-0.4088 ( 4090 PWs) bands (ev): -53.0004 -53.0004 -33.9305 -33.9305 -27.5622 -27.5622 -26.7852 -26.7852 -26.5335 -26.5335 -7.7616 -7.7616 -7.1815 -7.1815 4.3271 4.3271 5.3822 5.3822 5.9214 5.9214 6.3353 6.3353 7.4065 7.4065 7.8962 7.8962 11.5032 11.5032 13.2701 13.2701 13.5710 13.5710 15.2094 15.2094 15.3637 15.3637 k = 0.4231-0.6843-0.4163 ( 4094 PWs) bands (ev): -52.9996 -52.9996 -33.9302 -33.9302 -27.5656 -27.5656 -26.7879 -26.7879 -26.5330 -26.5330 -7.7588 -7.7588 -7.1671 -7.1671 4.2871 4.2871 5.4019 5.4019 5.9142 5.9142 6.3289 6.3289 7.3927 7.3927 7.8978 7.8978 11.4938 11.4938 13.2797 13.2797 13.5800 13.5800 15.2253 15.2253 15.3694 15.3694 k = 0.4308-0.6967-0.4239 ( 4096 PWs) bands (ev): -52.9988 -52.9988 -33.9298 -33.9298 -27.5687 -27.5687 -26.7903 -26.7903 -26.5326 -26.5326 -7.7566 -7.7566 -7.1537 -7.1537 4.2501 4.2501 5.4235 5.4235 5.9030 5.9030 6.3230 6.3230 7.3818 7.3818 7.8995 7.8995 11.4852 11.4852 13.2884 13.2884 13.5880 13.5880 15.2400 15.2400 15.3746 15.3746 k = 0.4385-0.7092-0.4315 ( 4096 PWs) bands (ev): -52.9981 -52.9981 -33.9295 -33.9295 -27.5715 -27.5715 -26.7925 -26.7925 -26.5322 -26.5322 -7.7548 -7.7548 -7.1413 -7.1413 4.2166 4.2166 5.4469 5.4469 5.8884 5.8884 6.3175 6.3175 7.3733 7.3733 7.9011 7.9011 11.4774 11.4774 13.2962 13.2962 13.5951 13.5951 15.2533 15.2533 15.3794 15.3794 k = 0.4462-0.7216-0.4391 ( 4096 PWs) bands (ev): -52.9975 -52.9975 -33.9292 -33.9292 -27.5740 -27.5740 -26.7944 -26.7944 -26.5318 -26.5318 -7.7534 -7.7534 -7.1301 -7.1301 4.1865 4.1865 5.4716 5.4716 5.8706 5.8706 6.3126 6.3126 7.3669 7.3669 7.9026 7.9026 11.4705 11.4705 13.3031 13.3031 13.6012 13.6012 15.2652 15.2652 15.3837 15.3837 k = 0.4538-0.7340-0.4466 ( 4096 PWs) bands (ev): -52.9970 -52.9970 -33.9290 -33.9290 -27.5762 -27.5762 -26.7961 -26.7961 -26.5315 -26.5315 -7.7522 -7.7522 -7.1201 -7.1201 4.1603 4.1603 5.4977 5.4977 5.8500 5.8500 6.3083 6.3083 7.3624 7.3624 7.9041 7.9041 11.4644 11.4644 13.3091 13.3091 13.6063 13.6063 15.2757 15.2757 15.3875 15.3875 k = 0.4615-0.7465-0.4542 ( 4094 PWs) bands (ev): -52.9966 -52.9966 -33.9288 -33.9288 -27.5781 -27.5781 -26.7975 -26.7975 -26.5313 -26.5313 -7.7514 -7.7514 -7.1115 -7.1115 4.1378 4.1378 5.5246 5.5246 5.8272 5.8272 6.3045 6.3045 7.3592 7.3592 7.9054 7.9054 11.4592 11.4592 13.3142 13.3142 13.6106 13.6106 15.2847 15.2847 15.3907 15.3907 k = 0.4692-0.7589-0.4618 ( 4090 PWs) bands (ev): -52.9962 -52.9962 -33.9286 -33.9286 -27.5797 -27.5797 -26.7986 -26.7986 -26.5310 -26.5310 -7.7507 -7.7507 -7.1044 -7.1044 4.1193 4.1193 5.5521 5.5521 5.8028 5.8028 6.3015 6.3015 7.3571 7.3571 7.9065 7.9065 11.4549 11.4549 13.3184 13.3184 13.6141 13.6141 15.2921 15.2921 15.3933 15.3933 k = 0.4769-0.7714-0.4693 ( 4089 PWs) bands (ev): -52.9959 -52.9959 -33.9285 -33.9285 -27.5809 -27.5809 -26.7995 -26.7995 -26.5309 -26.5309 -7.7503 -7.7503 -7.0988 -7.0988 4.1048 4.1048 5.5796 5.5796 5.7774 5.7774 6.2990 6.2990 7.3558 7.3558 7.9073 7.9073 11.4515 11.4515 13.3216 13.3216 13.6167 13.6167 15.2979 15.2979 15.3954 15.3954 k = 0.4846-0.7838-0.4769 ( 4087 PWs) bands (ev): -52.9957 -52.9957 -33.9284 -33.9284 -27.5817 -27.5817 -26.8002 -26.8002 -26.5308 -26.5308 -7.7500 -7.7500 -7.0948 -7.0948 4.0944 4.0944 5.6059 5.6059 5.7525 5.7525 6.2973 6.2973 7.3551 7.3551 7.9080 7.9080 11.4491 11.4491 13.3239 13.3239 13.6186 13.6186 15.3021 15.3021 15.3969 15.3969 k = 0.4923-0.7962-0.4845 ( 4090 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5823 -27.5823 -26.8006 -26.8006 -26.5307 -26.5307 -7.7498 -7.7498 -7.0924 -7.0924 4.0882 4.0882 5.6280 5.6280 5.7312 5.7312 6.2962 6.2962 7.3547 7.3547 7.9084 7.9084 11.4477 11.4477 13.3253 13.3253 13.6197 13.6197 15.3046 15.3046 15.3978 15.3978 k = 0.5000-0.8087-0.4920 ( 4084 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7497 -7.7497 -7.0915 -7.0915 4.0861 4.0861 5.6380 5.6380 5.7215 5.7215 6.2959 6.2959 7.3546 7.3546 7.9085 7.9085 11.4472 11.4472 13.3258 13.3258 13.6201 13.6201 15.3055 15.3055 15.3981 15.3981 k = 0.5000-0.8087-0.4920 ( 4084 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7497 -7.7497 -7.0915 -7.0915 4.0861 4.0861 5.6380 5.6380 5.7215 5.7215 6.2959 6.2959 7.3546 7.3546 7.9085 7.9085 11.4472 11.4472 13.3258 13.3258 13.6201 13.6201 15.3055 15.3055 15.3981 15.3981 k = 0.5000-0.8001-0.5062 ( 4090 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8008 -26.8008 -26.5307 -26.5307 -7.7492 -7.7492 -7.0918 -7.0918 4.0873 4.0873 5.6386 5.6386 5.7194 5.7194 6.2979 6.2979 7.3537 7.3537 7.9051 7.9051 11.4495 11.4495 13.3255 13.3255 13.6193 13.6193 15.3060 15.3060 15.3974 15.3974 k = 0.5000-0.7915-0.5203 ( 4092 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5823 -27.5823 -26.8009 -26.8009 -26.5310 -26.5310 -7.7478 -7.7478 -7.0925 -7.0925 4.0907 4.0907 5.6404 5.6404 5.7132 5.7132 6.3040 6.3040 7.3511 7.3511 7.8950 7.8950 11.4563 11.4563 13.3247 13.3247 13.6170 13.6170 15.3074 15.3074 15.3955 15.3955 k = 0.5000-0.7829-0.5344 ( 4088 PWs) bands (ev): -52.9954 -52.9954 -33.9282 -33.9282 -27.5821 -27.5821 -26.8013 -26.8013 -26.5314 -26.5314 -7.7454 -7.7454 -7.0936 -7.0936 4.0965 4.0965 5.6435 5.6435 5.7033 5.7033 6.3139 6.3139 7.3467 7.3467 7.8782 7.8782 11.4676 11.4676 13.3234 13.3234 13.6131 13.6131 15.3099 15.3099 15.3924 15.3924 k = 0.5000-0.7743-0.5485 ( 4088 PWs) bands (ev): -52.9953 -52.9953 -33.9282 -33.9282 -27.5819 -27.5819 -26.8017 -26.8017 -26.5319 -26.5319 -7.7421 -7.7421 -7.0952 -7.0952 4.1046 4.1046 5.6477 5.6477 5.6901 5.6901 6.3271 6.3271 7.3405 7.3405 7.8551 7.8551 11.4832 11.4832 13.3215 13.3215 13.6076 13.6076 15.3132 15.3132 15.3882 15.3882 k = 0.5000-0.7658-0.5626 ( 4090 PWs) bands (ev): -52.9952 -52.9952 -33.9281 -33.9281 -27.5816 -27.5816 -26.8023 -26.8023 -26.5326 -26.5326 -7.7378 -7.7378 -7.0973 -7.0973 4.1150 4.1150 5.6529 5.6529 5.6740 5.6740 6.3432 6.3432 7.3325 7.3325 7.8258 7.8258 11.5028 11.5028 13.3192 13.3192 13.6006 13.6006 15.3173 15.3173 15.3829 15.3829 k = 0.5000-0.7572-0.5767 ( 4096 PWs) bands (ev): -52.9950 -52.9950 -33.9281 -33.9281 -27.5813 -27.5813 -26.8030 -26.8030 -26.5334 -26.5334 -7.7326 -7.7326 -7.0998 -7.0998 4.1276 4.1276 5.6538 5.6538 5.6610 5.6610 6.3617 6.3617 7.3227 7.3227 7.7908 7.7908 11.5263 11.5263 13.3163 13.3163 13.5921 13.5921 15.3222 15.3222 15.3767 15.3767 k = 0.5000-0.7486-0.5908 ( 4096 PWs) bands (ev): -52.9949 -52.9949 -33.9280 -33.9280 -27.5809 -27.5809 -26.8038 -26.8038 -26.5343 -26.5343 -7.7265 -7.7265 -7.1028 -7.1028 4.1425 4.1425 5.6343 5.6343 5.6676 5.6676 6.3823 6.3823 7.3111 7.3111 7.7504 7.7504 11.5534 11.5534 13.3130 13.3130 13.5820 13.5820 15.3277 15.3277 15.3698 15.3698 k = 0.5000-0.7400-0.6049 ( 4094 PWs) bands (ev): -52.9947 -52.9947 -33.9279 -33.9279 -27.5805 -27.5805 -26.8047 -26.8047 -26.5354 -26.5354 -7.7195 -7.7195 -7.1062 -7.1062 4.1596 4.1596 5.6124 5.6124 5.6760 5.6760 6.4045 6.4045 7.2977 7.2977 7.7051 7.7051 11.5838 11.5838 13.3091 13.3091 13.5705 13.5705 15.3336 15.3336 15.3625 15.3625 k = 0.5000-0.7314-0.6190 ( 4090 PWs) bands (ev): -52.9944 -52.9944 -33.9278 -33.9278 -27.5800 -27.5800 -26.8058 -26.8058 -26.5365 -26.5365 -7.7117 -7.7117 -7.1100 -7.1100 4.1788 4.1788 5.5893 5.5893 5.6855 5.6855 6.4280 6.4280 7.2825 7.2825 7.6554 7.6554 11.6172 11.6172 13.3048 13.3048 13.5575 13.5575 15.3390 15.3390 15.3559 15.3559 k = 0.5000-0.7228-0.6331 ( 4094 PWs) bands (ev): -52.9942 -52.9942 -33.9277 -33.9277 -27.5795 -27.5795 -26.8070 -26.8070 -26.5378 -26.5378 -7.7031 -7.7031 -7.1143 -7.1143 4.2001 4.2001 5.5654 5.5654 5.6957 5.6957 6.4525 6.4525 7.2655 7.2655 7.6017 7.6017 11.6532 11.6532 13.3000 13.3000 13.5430 13.5430 15.3397 15.3397 15.3539 15.3539 k = 0.5000-0.7142-0.6473 ( 4088 PWs) bands (ev): -52.9939 -52.9939 -33.9275 -33.9275 -27.5789 -27.5789 -26.8083 -26.8083 -26.5391 -26.5391 -7.6936 -7.6936 -7.1190 -7.1190 4.2236 4.2236 5.5409 5.5409 5.7067 5.7067 6.4779 6.4779 7.2466 7.2466 7.5446 7.5446 11.6916 11.6916 13.2948 13.2948 13.5271 13.5271 15.3336 15.3336 15.3590 15.3590 k = 0.5000-0.7057-0.6614 ( 4090 PWs) bands (ev): -52.9936 -52.9936 -33.9274 -33.9274 -27.5783 -27.5783 -26.8097 -26.8097 -26.5405 -26.5405 -7.6834 -7.6834 -7.1241 -7.1241 4.2490 4.2490 5.5162 5.5162 5.7182 5.7182 6.5039 6.5039 7.2258 7.2258 7.4846 7.4846 11.7322 11.7322 13.2891 13.2891 13.5099 13.5099 15.3256 15.3256 15.3661 15.3661 k = 0.5000-0.6971-0.6755 ( 4092 PWs) bands (ev): -52.9933 -52.9933 -33.9273 -33.9273 -27.5777 -27.5777 -26.8113 -26.8113 -26.5419 -26.5419 -7.6725 -7.6725 -7.1295 -7.1295 4.2764 4.2764 5.4915 5.4915 5.7302 5.7302 6.5304 6.5304 7.2033 7.2033 7.4224 7.4224 11.7745 11.7745 13.2830 13.2830 13.4913 13.4913 15.3175 15.3175 15.3738 15.3738 k = 0.5000-0.6885-0.6896 ( 4092 PWs) bands (ev): -52.9930 -52.9930 -33.9271 -33.9271 -27.5771 -27.5771 -26.8129 -26.8129 -26.5433 -26.5433 -7.6609 -7.6609 -7.1354 -7.1354 4.3058 4.3058 5.4668 5.4668 5.7423 5.7423 6.5572 6.5572 7.1789 7.1789 7.3585 7.3585 11.8185 11.8185 13.2763 13.2763 13.4714 13.4714 15.3095 15.3095 15.3815 15.3815 k = 0.5000-0.6799-0.7037 ( 4098 PWs) bands (ev): -52.9927 -52.9927 -33.9270 -33.9270 -27.5765 -27.5765 -26.8147 -26.8147 -26.5448 -26.5448 -7.6487 -7.6487 -7.1417 -7.1417 4.3370 4.3370 5.4425 5.4425 5.7543 5.7543 6.5843 6.5843 7.1527 7.1527 7.2935 7.2935 11.8637 11.8637 13.2692 13.2692 13.4502 13.4502 15.3020 15.3020 15.3891 15.3891 k = 0.5000-0.6713-0.7178 ( 4086 PWs) bands (ev): -52.9923 -52.9923 -33.9268 -33.9268 -27.5758 -27.5758 -26.8165 -26.8165 -26.5462 -26.5462 -7.6359 -7.6359 -7.1483 -7.1483 4.3699 4.3699 5.4186 5.4186 5.7660 5.7660 6.6116 6.6116 7.1246 7.1246 7.2282 7.2282 11.9101 11.9101 13.2616 13.2616 13.4279 13.4279 15.2952 15.2952 15.3965 15.3965 k = 0.5000-0.6627-0.7319 ( 4088 PWs) bands (ev): -52.9920 -52.9920 -33.9266 -33.9266 -27.5752 -27.5752 -26.8184 -26.8184 -26.5476 -26.5476 -7.6225 -7.6225 -7.1552 -7.1552 4.4046 4.4046 5.3953 5.3953 5.7770 5.7770 6.6390 6.6390 7.0944 7.0944 7.1636 7.1636 11.9574 11.9574 13.2534 13.2534 13.4045 13.4045 15.2890 15.2890 15.4034 15.4034 k = 0.5000-0.6542-0.7460 ( 4082 PWs) bands (ev): -52.9916 -52.9916 -33.9265 -33.9265 -27.5746 -27.5746 -26.8204 -26.8204 -26.5490 -26.5490 -7.6087 -7.6087 -7.1625 -7.1625 4.4408 4.4408 5.3726 5.3726 5.7869 5.7869 6.6664 6.6664 7.0611 7.0611 7.1013 7.1013 12.0055 12.0055 13.2447 13.2447 13.3800 13.3800 15.2838 15.2838 15.4099 15.4099 k = 0.5000-0.6456-0.7601 ( 4084 PWs) bands (ev): -52.9912 -52.9912 -33.9263 -33.9263 -27.5740 -27.5740 -26.8224 -26.8224 -26.5504 -26.5504 -7.5944 -7.5944 -7.1701 -7.1701 4.4786 4.4786 5.3506 5.3506 5.7952 5.7952 6.6938 6.6938 7.0200 7.0200 7.0471 7.0471 12.0541 12.0541 13.2354 13.2354 13.3546 13.3546 15.2795 15.2795 15.4158 15.4158 k = 0.5000-0.6370-0.7742 ( 4080 PWs) bands (ev): -52.9909 -52.9909 -33.9261 -33.9261 -27.5734 -27.5734 -26.8244 -26.8244 -26.5517 -26.5517 -7.5798 -7.5798 -7.1780 -7.1780 4.5178 4.5178 5.3295 5.3295 5.8014 5.8014 6.7209 6.7209 6.9670 6.9670 7.0061 7.0061 12.1031 12.1031 13.2254 13.2254 13.3283 13.3283 15.2762 15.2762 15.4209 15.4209 k = 0.5000-0.6284-0.7884 ( 4072 PWs) bands (ev): -52.9905 -52.9905 -33.9259 -33.9259 -27.5728 -27.5728 -26.8265 -26.8265 -26.5530 -26.5530 -7.5648 -7.5648 -7.1861 -7.1861 4.5583 4.5583 5.3093 5.3093 5.8048 5.8048 6.7475 6.7475 6.9120 6.9120 6.9697 6.9697 12.1524 12.1524 13.2147 13.2147 13.3013 13.3013 15.2740 15.2740 15.4252 15.4252 k = 0.5000-0.6198-0.8025 ( 4072 PWs) bands (ev): -52.9901 -52.9901 -33.9258 -33.9258 -27.5723 -27.5723 -26.8286 -26.8286 -26.5542 -26.5542 -7.5496 -7.5496 -7.1946 -7.1946 4.6000 4.6000 5.2901 5.2901 5.8047 5.8047 6.7726 6.7726 6.8603 6.8603 6.9346 6.9346 12.2018 12.2018 13.2030 13.2030 13.2739 13.2739 15.2728 15.2728 15.4287 15.4287 k = 0.5000-0.6112-0.8166 ( 4076 PWs) bands (ev): -52.9898 -52.9898 -33.9256 -33.9256 -27.5718 -27.5718 -26.8307 -26.8307 -26.5553 -26.5553 -7.5342 -7.5342 -7.2032 -7.2032 4.6428 4.6428 5.2719 5.2719 5.8005 5.8005 6.7913 6.7913 6.8165 6.8165 6.9020 6.9020 12.2511 12.2511 13.1901 13.1901 13.2463 13.2463 15.2728 15.2728 15.4312 15.4312 k = 0.5000-0.6026-0.8307 ( 4078 PWs) bands (ev): -52.9894 -52.9894 -33.9254 -33.9254 -27.5714 -27.5714 -26.8328 -26.8328 -26.5563 -26.5563 -7.5187 -7.5187 -7.2122 -7.2122 4.6866 4.6866 5.2547 5.2547 5.7914 5.7914 6.7679 6.7679 6.8082 6.8082 6.8811 6.8811 12.3002 12.3002 13.1756 13.1756 13.2192 13.2192 15.2738 15.2738 15.4328 15.4328 k = 0.5000-0.5941-0.8448 ( 4080 PWs) bands (ev): -52.9891 -52.9891 -33.9253 -33.9253 -27.5710 -27.5710 -26.8348 -26.8348 -26.5572 -26.5572 -7.5031 -7.5031 -7.2213 -7.2213 4.7310 4.7310 5.2387 5.2387 5.7772 5.7772 6.7339 6.7339 6.7902 6.7902 6.8863 6.8863 12.3490 12.3490 13.1582 13.1582 13.1940 13.1940 15.2758 15.2758 15.4333 15.4333 k = 0.5000-0.5855-0.8589 ( 4084 PWs) bands (ev): -52.9888 -52.9888 -33.9251 -33.9251 -27.5707 -27.5707 -26.8368 -26.8368 -26.5581 -26.5581 -7.4875 -7.4875 -7.2306 -7.2306 4.7761 4.7761 5.2237 5.2237 5.7575 5.7575 6.7062 6.7062 6.7567 6.7567 6.9073 6.9073 12.3972 12.3972 13.1366 13.1366 13.1719 13.1719 15.2788 15.2788 15.4327 15.4327 k = 0.5000-0.5769-0.8730 ( 4080 PWs) bands (ev): -52.9884 -52.9884 -33.9250 -33.9250 -27.5704 -27.5704 -26.8387 -26.8387 -26.5589 -26.5589 -7.4720 -7.4720 -7.2400 -7.2400 4.8214 4.8214 5.2099 5.2099 5.7326 5.7326 6.6850 6.6850 6.7187 6.7187 6.9330 6.9330 12.4446 12.4446 13.1113 13.1113 13.1529 13.1529 15.2827 15.2827 15.4310 15.4310 k = 0.5000-0.5683-0.8871 ( 4076 PWs) bands (ev): -52.9881 -52.9881 -33.9248 -33.9248 -27.5701 -27.5701 -26.8404 -26.8404 -26.5595 -26.5595 -7.4567 -7.4567 -7.2496 -7.2496 4.8667 4.8667 5.1972 5.1972 5.7031 5.7031 6.6666 6.6666 6.6828 6.6828 6.9602 6.9602 12.4910 12.4910 13.0839 13.0839 13.1356 13.1356 15.2873 15.2873 15.4283 15.4283 k = 0.5000-0.5597-0.9012 ( 4074 PWs) bands (ev): -52.9879 -52.9879 -33.9247 -33.9247 -27.5699 -27.5699 -26.8421 -26.8421 -26.5601 -26.5601 -7.4417 -7.4417 -7.2594 -7.2594 4.9116 4.9116 5.1856 5.1856 5.6699 5.6699 6.6325 6.6325 6.6682 6.6682 6.9883 6.9883 12.5359 12.5359 13.0560 13.0560 13.1187 13.1187 15.2926 15.2926 15.4245 15.4245 k = 0.5000-0.5511-0.9153 ( 4070 PWs) bands (ev): -52.9876 -52.9876 -33.9246 -33.9246 -27.5698 -27.5698 -26.8436 -26.8436 -26.5607 -26.5607 -7.4269 -7.4269 -7.2692 -7.2692 4.9555 4.9555 5.1752 5.1752 5.6342 5.6342 6.5914 6.5914 6.6658 6.6658 7.0168 7.0168 12.5788 12.5788 13.0288 13.0288 13.1017 13.1017 15.2984 15.2984 15.4196 15.4196 k = 0.5000-0.5425-0.9295 ( 4068 PWs) bands (ev): -52.9874 -52.9874 -33.9245 -33.9245 -27.5697 -27.5697 -26.8449 -26.8449 -26.5611 -26.5611 -7.4126 -7.4126 -7.2791 -7.2791 4.9976 4.9976 5.1657 5.1657 5.5979 5.5979 6.5495 6.5495 6.6689 6.6689 7.0457 7.0457 12.6188 12.6188 13.0033 13.0033 13.0844 13.0844 15.3047 15.3047 15.4137 15.4137 k = 0.5000-0.5340-0.9436 ( 4074 PWs) bands (ev): -52.9872 -52.9872 -33.9244 -33.9244 -27.5696 -27.5696 -26.8461 -26.8461 -26.5614 -26.5614 -7.3987 -7.3987 -7.2890 -7.2890 5.0365 5.0365 5.1573 5.1573 5.5628 5.5628 6.5076 6.5076 6.6763 6.6763 7.0748 7.0748 12.6545 12.6545 12.9811 12.9811 13.0667 13.0667 15.3111 15.3111 15.4067 15.4067 k = 0.5000-0.5254-0.9577 ( 4070 PWs) bands (ev): -52.9870 -52.9870 -33.9243 -33.9243 -27.5696 -27.5696 -26.8471 -26.8471 -26.5617 -26.5617 -7.3853 -7.3853 -7.2989 -7.2989 5.0703 5.0703 5.1499 5.1499 5.5316 5.5316 6.4661 6.4661 6.6870 6.6870 7.1041 7.1041 12.6836 12.6836 12.9644 12.9644 13.0487 13.0487 15.3176 15.3176 15.3989 15.3989 k = 0.5000-0.5168-0.9718 ( 4068 PWs) bands (ev): -52.9869 -52.9869 -33.9242 -33.9242 -27.5696 -27.5696 -26.8479 -26.8479 -26.5619 -26.5619 -7.3727 -7.3727 -7.3088 -7.3088 5.0963 5.0963 5.1433 5.1433 5.5078 5.5078 6.4251 6.4251 6.7003 6.7003 7.1337 7.1337 12.7033 12.7033 12.9557 12.9557 13.0306 13.0306 15.3241 15.3241 15.3901 15.3901 k = 0.5000-0.5082-0.9859 ( 4070 PWs) bands (ev): -52.9868 -52.9868 -33.9242 -33.9242 -27.5696 -27.5696 -26.8484 -26.8484 -26.5621 -26.5621 -7.3609 -7.3609 -7.3185 -7.3185 5.1113 5.1113 5.1377 5.1377 5.4950 5.4950 6.3851 6.3851 6.7155 6.7155 7.1634 7.1634 12.7110 12.7110 12.9569 12.9569 13.0134 13.0134 15.3303 15.3303 15.3806 15.3806 k = 0.5000-0.4996-1.0000 ( 4070 PWs) bands (ev): -52.9867 -52.9867 -33.9242 -33.9242 -27.5696 -27.5696 -26.8488 -26.8488 -26.5622 -26.5622 -7.3505 -7.3505 -7.3276 -7.3276 5.1130 5.1130 5.1328 5.1328 5.4959 5.4959 6.3463 6.3463 6.7321 6.7321 7.1933 7.1933 12.7068 12.7068 12.9631 12.9631 13.0019 13.0019 15.3360 15.3360 15.3703 15.3703 k = 0.5000-0.4910-1.0141 ( 4068 PWs) bands (ev): -52.9867 -52.9867 -33.9242 -33.9242 -27.5696 -27.5696 -26.8489 -26.8489 -26.5622 -26.5622 -7.3453 -7.3453 -7.3322 -7.3322 5.1026 5.1026 5.1278 5.1278 5.5106 5.5106 6.3089 6.3089 6.7496 6.7496 7.2234 7.2234 12.6932 12.6932 12.9574 12.9574 13.0104 13.0104 15.3409 15.3409 15.3597 15.3597 k = 0.5000-0.4824-1.0282 ( 4072 PWs) bands (ev): -52.9867 -52.9867 -33.9242 -33.9242 -27.5696 -27.5696 -26.8487 -26.8487 -26.5622 -26.5622 -7.3514 -7.3514 -7.3264 -7.3264 5.0823 5.0823 5.1230 5.1230 5.5364 5.5364 6.2733 6.2733 6.7675 6.7675 7.2537 7.2537 12.6736 12.6736 12.9403 12.9403 13.0350 13.0350 15.3426 15.3426 15.3509 15.3509 k = 0.5000-0.4739-1.0423 ( 4076 PWs) bands (ev): -52.9868 -52.9868 -33.9242 -33.9242 -27.5695 -27.5695 -26.8483 -26.8483 -26.5621 -26.5621 -7.3604 -7.3604 -7.3185 -7.3185 5.0556 5.0556 5.1184 5.1184 5.5701 5.5701 6.2398 6.2398 6.7856 6.7856 7.2841 7.2841 12.6506 12.6506 12.9201 12.9201 13.0650 13.0650 15.3337 15.3337 15.3514 15.3514 k = 0.5000-0.4653-1.0564 ( 4076 PWs) bands (ev): -52.9869 -52.9869 -33.9243 -33.9243 -27.5695 -27.5695 -26.8477 -26.8477 -26.5620 -26.5620 -7.3698 -7.3698 -7.3111 -7.3111 5.0256 5.0256 5.1139 5.1139 5.6089 5.6089 6.2086 6.2086 6.8034 6.8034 7.3146 7.3146 12.6256 12.6256 12.8987 12.8987 13.0971 13.0971 15.3214 15.3214 15.3538 15.3538 k = 0.5000-0.4567-1.0706 ( 4074 PWs) bands (ev): -52.9871 -52.9871 -33.9243 -33.9243 -27.5693 -27.5693 -26.8468 -26.8468 -26.5618 -26.5618 -7.3793 -7.3793 -7.3047 -7.3047 4.9942 4.9942 5.1091 5.1091 5.6507 5.6507 6.1802 6.1802 6.8208 6.8208 7.3452 7.3452 12.5998 12.5998 12.8765 12.8765 13.1298 13.1298 15.3084 15.3084 15.3554 15.3554 k = 0.8149-0.3672-0.8976 ( 4074 PWs) bands (ev): -52.9871 -52.9871 -33.9243 -33.9243 -27.5693 -27.5693 -26.8468 -26.8468 -26.5618 -26.5618 -7.3793 -7.3793 -7.3047 -7.3047 4.9942 4.9942 5.1091 5.1091 5.6507 5.6507 6.1802 6.1802 6.8208 6.8208 7.3452 7.3452 12.5998 12.5998 12.8765 12.8765 13.1298 13.1298 15.3084 15.3084 15.3554 15.3554 k = 0.8104-0.3599-0.8836 ( 4072 PWs) bands (ev): -52.9873 -52.9873 -33.9244 -33.9244 -27.5691 -27.5691 -26.8457 -26.8457 -26.5617 -26.5617 -7.3886 -7.3886 -7.2993 -7.2993 4.9632 4.9632 5.1040 5.1040 5.6942 5.6942 6.1549 6.1549 6.8374 6.8374 7.3758 7.3758 12.5738 12.5738 12.8540 12.8540 13.1621 13.1621 15.2951 15.2951 15.3559 15.3559 k = 0.8059-0.3527-0.8695 ( 4078 PWs) bands (ev): -52.9876 -52.9876 -33.9246 -33.9246 -27.5688 -27.5688 -26.8443 -26.8443 -26.5615 -26.5615 -7.3978 -7.3978 -7.2951 -7.2951 4.9333 4.9333 5.0981 5.0981 5.7386 5.7386 6.1328 6.1328 6.8531 6.8531 7.4064 7.4064 12.5479 12.5479 12.8310 12.8310 13.1938 13.1938 15.2816 15.2816 15.3552 15.3552 k = 0.8014-0.3454-0.8555 ( 4080 PWs) bands (ev): -52.9879 -52.9879 -33.9247 -33.9247 -27.5684 -27.5684 -26.8426 -26.8426 -26.5612 -26.5612 -7.4069 -7.4069 -7.2922 -7.2922 4.9053 4.9053 5.0915 5.0915 5.7833 5.7833 6.1144 6.1144 6.8676 6.8676 7.4371 7.4371 12.5224 12.5224 12.8078 12.8078 13.2246 13.2246 15.2678 15.2678 15.3532 15.3532 k = 0.7969-0.3381-0.8414 ( 4082 PWs) bands (ev): -52.9883 -52.9883 -33.9249 -33.9249 -27.5679 -27.5679 -26.8407 -26.8407 -26.5610 -26.5610 -7.4157 -7.4157 -7.2905 -7.2905 4.8795 4.8795 5.0838 5.0838 5.8278 5.8278 6.0997 6.0997 6.8810 6.8810 7.4678 7.4678 12.4976 12.4976 12.7842 12.7842 13.2542 13.2542 15.2539 15.2539 15.3498 15.3498 k = 0.7924-0.3308-0.8274 ( 4088 PWs) bands (ev): -52.9887 -52.9887 -33.9251 -33.9251 -27.5673 -27.5673 -26.8386 -26.8386 -26.5607 -26.5607 -7.4244 -7.4244 -7.2902 -7.2902 4.8564 4.8564 5.0750 5.0750 5.8718 5.8718 6.0892 6.0892 6.8930 6.8930 7.4985 7.4985 12.4735 12.4735 12.7605 12.7605 13.2825 13.2825 15.2400 15.2400 15.3449 15.3449 k = 0.7879-0.3236-0.8133 ( 4090 PWs) bands (ev): -52.9892 -52.9892 -33.9253 -33.9253 -27.5665 -27.5665 -26.8362 -26.8362 -26.5605 -26.5605 -7.4329 -7.4329 -7.2912 -7.2912 4.8362 4.8362 5.0650 5.0650 5.9150 5.9150 6.0827 6.0827 6.9035 6.9035 7.5291 7.5291 12.4503 12.4503 12.7367 12.7367 13.3094 13.3094 15.2261 15.2261 15.3386 15.3386 k = 0.7834-0.3163-0.7992 ( 4088 PWs) bands (ev): -52.9897 -52.9897 -33.9256 -33.9256 -27.5656 -27.5656 -26.8336 -26.8336 -26.5602 -26.5602 -7.4411 -7.4411 -7.2936 -7.2936 4.8192 4.8192 5.0538 5.0538 5.9571 5.9571 6.0806 6.0806 6.9125 6.9125 7.5596 7.5596 12.4281 12.4281 12.7127 12.7127 13.3348 13.3348 15.2122 15.2122 15.3307 15.3307 k = 0.7789-0.3090-0.7852 ( 4082 PWs) bands (ev): -52.9903 -52.9903 -33.9258 -33.9258 -27.5645 -27.5645 -26.8308 -26.8308 -26.5599 -26.5599 -7.4491 -7.4491 -7.2975 -7.2975 4.8055 4.8055 5.0414 5.0414 5.9979 5.9979 6.0828 6.0828 6.9199 6.9199 7.5900 7.5900 12.4070 12.4070 12.6887 12.6887 13.3587 13.3587 15.1985 15.1985 15.3213 15.3213 k = 0.7744-0.3017-0.7711 ( 4084 PWs) bands (ev): -52.9910 -52.9910 -33.9261 -33.9261 -27.5633 -27.5633 -26.8277 -26.8277 -26.5596 -26.5596 -7.4568 -7.4568 -7.3028 -7.3028 4.7952 4.7952 5.0280 5.0280 6.0372 6.0372 6.0892 6.0892 6.9257 6.9257 7.6201 7.6201 12.3869 12.3869 12.6647 12.6647 13.3811 13.3811 15.1849 15.1849 15.3104 15.3104 k = 0.7699-0.2944-0.7571 ( 4086 PWs) bands (ev): -52.9917 -52.9917 -33.9265 -33.9265 -27.5618 -27.5618 -26.8245 -26.8245 -26.5593 -26.5593 -7.4642 -7.4642 -7.3095 -7.3095 4.7885 4.7885 5.0136 5.0136 6.0747 6.0747 6.0998 6.0998 6.9299 6.9299 7.6500 7.6500 12.3681 12.3681 12.6408 12.6408 13.4018 13.4018 15.1716 15.1716 15.2981 15.2981 k = 0.7654-0.2872-0.7430 ( 4088 PWs) bands (ev): -52.9925 -52.9925 -33.9268 -33.9268 -27.5602 -27.5602 -26.8210 -26.8210 -26.5591 -26.5591 -7.4714 -7.4714 -7.3178 -7.3178 4.7854 4.7854 4.9984 4.9984 6.1096 6.1096 6.1151 6.1151 6.9326 6.9326 7.6796 7.6796 12.3504 12.3504 12.6171 12.6171 13.4210 13.4210 15.1584 15.1584 15.2842 15.2842 k = 0.7609-0.2799-0.7289 ( 4088 PWs) bands (ev): -52.9933 -52.9933 -33.9272 -33.9272 -27.5583 -27.5583 -26.8173 -26.8173 -26.5588 -26.5588 -7.4783 -7.4783 -7.3275 -7.3275 4.7860 4.7860 4.9827 4.9827 6.1324 6.1324 6.1443 6.1443 6.9338 6.9338 7.7089 7.7089 12.3339 12.3339 12.5935 12.5935 13.4385 13.4385 15.1455 15.1455 15.2690 15.2690 k = 0.7564-0.2726-0.7149 ( 4076 PWs) bands (ev): -52.9942 -52.9942 -33.9276 -33.9276 -27.5563 -27.5563 -26.8134 -26.8134 -26.5585 -26.5585 -7.4849 -7.4849 -7.3387 -7.3387 4.7903 4.7903 4.9666 4.9666 6.1547 6.1547 6.1753 6.1753 6.9336 6.9336 7.7377 7.7377 12.3187 12.3187 12.5702 12.5702 13.4544 13.4544 15.1329 15.1329 15.2523 15.2523 k = 0.7519-0.2653-0.7008 ( 4076 PWs) bands (ev): -52.9951 -52.9951 -33.9280 -33.9280 -27.5540 -27.5540 -26.8093 -26.8093 -26.5582 -26.5582 -7.4912 -7.4912 -7.3514 -7.3514 4.7984 4.7984 4.9504 4.9504 6.1804 6.1804 6.2038 6.2038 6.9321 6.9321 7.7660 7.7660 12.3047 12.3047 12.5472 12.5472 13.4687 13.4687 15.1207 15.1207 15.2344 15.2344 k = 0.7474-0.2581-0.6868 ( 4074 PWs) bands (ev): -52.9961 -52.9961 -33.9285 -33.9285 -27.5515 -27.5515 -26.8051 -26.8051 -26.5580 -26.5580 -7.4972 -7.4972 -7.3655 -7.3655 4.8103 4.8103 4.9343 4.9343 6.2094 6.2094 6.2296 6.2296 6.9296 6.9296 7.7937 7.7937 12.2919 12.2919 12.5245 12.5245 13.4814 13.4814 15.1088 15.1088 15.2152 15.2152 k = 0.7429-0.2508-0.6727 ( 4078 PWs) bands (ev): -52.9972 -52.9972 -33.9290 -33.9290 -27.5488 -27.5488 -26.8007 -26.8007 -26.5577 -26.5577 -7.5029 -7.5029 -7.3811 -7.3811 4.8258 4.8258 4.9185 4.9185 6.2415 6.2415 6.2524 6.2524 6.9260 6.9260 7.8207 7.8207 12.2804 12.2804 12.5023 12.5023 13.4924 13.4924 15.0974 15.0974 15.1949 15.1949 k = 0.7384-0.2435-0.6586 ( 4082 PWs) bands (ev): -52.9983 -52.9983 -33.9295 -33.9295 -27.5459 -27.5459 -26.7961 -26.7961 -26.5575 -26.5575 -7.5083 -7.5083 -7.3981 -7.3981 4.8451 4.8451 4.9034 4.9034 6.2718 6.2718 6.2765 6.2765 6.9218 6.9218 7.8470 7.8470 12.2701 12.2701 12.4806 12.4806 13.5018 13.5018 15.0863 15.0863 15.1735 15.1735 k = 0.7339-0.2362-0.6446 ( 4078 PWs) bands (ev): -52.9995 -52.9995 -33.9301 -33.9301 -27.5427 -27.5427 -26.7913 -26.7913 -26.5572 -26.5572 -7.5134 -7.5134 -7.4164 -7.4164 4.8674 4.8674 4.8895 4.8895 6.2881 6.2881 6.3141 6.3141 6.9170 6.9170 7.8725 7.8725 12.2610 12.2610 12.4593 12.4593 13.5096 13.5096 15.0759 15.0759 15.1511 15.1511 k = 0.7294-0.2290-0.6305 ( 4082 PWs) bands (ev): -53.0007 -53.0007 -33.9306 -33.9306 -27.5394 -27.5394 -26.7864 -26.7864 -26.5570 -26.5570 -7.5182 -7.5182 -7.4360 -7.4360 4.8736 4.8736 4.8964 4.8964 6.3007 6.3007 6.3543 6.3543 6.9119 6.9119 7.8970 7.8970 12.2531 12.2531 12.4387 12.4387 13.5157 13.5157 15.0659 15.0659 15.1278 15.1278 k = 0.7249-0.2217-0.6165 ( 4084 PWs) bands (ev): -53.0020 -53.0020 -33.9312 -33.9312 -27.5358 -27.5358 -26.7813 -26.7813 -26.5568 -26.5568 -7.5228 -7.5228 -7.4569 -7.4569 4.8616 4.8616 4.9259 4.9259 6.3095 6.3095 6.3969 6.3969 6.9067 6.9067 7.9206 7.9206 12.2463 12.2463 12.4187 12.4187 13.5201 13.5201 15.0565 15.0565 15.1038 15.1038 k = 0.7204-0.2144-0.6024 ( 4084 PWs) bands (ev): -53.0033 -53.0033 -33.9318 -33.9318 -27.5321 -27.5321 -26.7761 -26.7761 -26.5566 -26.5566 -7.5271 -7.5271 -7.4790 -7.4790 4.8503 4.8503 4.9596 4.9596 6.3146 6.3146 6.4416 6.4416 6.9016 6.9016 7.9430 7.9430 12.2407 12.2407 12.3994 12.3994 13.5229 13.5229 15.0477 15.0477 15.0793 15.0793 k = 0.7159-0.2071-0.5884 ( 4088 PWs) bands (ev): -53.0047 -53.0047 -33.9325 -33.9325 -27.5281 -27.5281 -26.7707 -26.7707 -26.5563 -26.5563 -7.5315 -7.5315 -7.5019 -7.5019 4.8402 4.8402 4.9967 4.9967 6.3158 6.3158 6.4884 6.4884 6.8967 6.8967 7.9643 7.9643 12.2362 12.2362 12.3809 12.3809 13.5239 13.5239 15.0390 15.0390 15.0548 15.0548 k = 0.7114-0.1999-0.5743 ( 4084 PWs) bands (ev): -53.0061 -53.0061 -33.9331 -33.9331 -27.5240 -27.5240 -26.7652 -26.7652 -26.5561 -26.5561 -7.5376 -7.5376 -7.5240 -7.5240 4.8315 4.8315 5.0370 5.0370 6.3132 6.3132 6.5371 6.5371 6.8922 6.8922 7.9842 7.9842 12.2327 12.2327 12.3631 12.3631 13.5233 13.5233 15.0249 15.0249 15.0362 15.0362 k = 0.7069-0.1926-0.5602 ( 4090 PWs) bands (ev): -53.0075 -53.0075 -33.9338 -33.9338 -27.5197 -27.5197 -26.7596 -26.7596 -26.5559 -26.5559 -7.5556 -7.5556 -7.5348 -7.5348 4.8243 4.8243 5.0806 5.0806 6.3069 6.3069 6.5876 6.5876 6.8881 6.8881 8.0028 8.0028 12.2303 12.2303 12.3462 12.3462 13.5209 13.5209 15.0005 15.0005 15.0283 15.0283 k = 0.7024-0.1853-0.5462 ( 4092 PWs) bands (ev): -53.0090 -53.0090 -33.9345 -33.9345 -27.5152 -27.5152 -26.7539 -26.7539 -26.5557 -26.5557 -7.5813 -7.5813 -7.5389 -7.5389 4.8188 4.8188 5.1270 5.1270 6.2972 6.2972 6.6397 6.6397 6.8843 6.8843 8.0199 8.0199 12.2288 12.2288 12.3301 12.3301 13.5168 13.5168 14.9747 14.9747 15.0228 15.0228 k = 0.6979-0.1780-0.5321 ( 4086 PWs) bands (ev): -53.0106 -53.0106 -33.9352 -33.9352 -27.5106 -27.5106 -26.7480 -26.7480 -26.5555 -26.5555 -7.6086 -7.6086 -7.5419 -7.5419 4.8150 4.8150 5.1761 5.1761 6.2843 6.2843 6.6932 6.6932 6.8810 6.8810 8.0354 8.0354 12.2281 12.2281 12.3149 12.3149 13.5110 13.5110 14.9486 14.9486 15.0184 15.0184 k = 0.6934-0.1708-0.5181 ( 4092 PWs) bands (ev): -53.0121 -53.0121 -33.9360 -33.9360 -27.5059 -27.5059 -26.7420 -26.7420 -26.5553 -26.5553 -7.6370 -7.6370 -7.5444 -7.5444 4.8129 4.8129 5.2277 5.2277 6.2685 6.2685 6.7481 6.7481 6.8781 6.8781 8.0492 8.0492 12.2283 12.2283 12.3007 12.3007 13.5035 13.5035 14.9226 14.9226 15.0150 15.0150 k = 0.6889-0.1635-0.5040 ( 4088 PWs) bands (ev): -53.0137 -53.0137 -33.9367 -33.9367 -27.5010 -27.5010 -26.7358 -26.7358 -26.5551 -26.5551 -7.6663 -7.6663 -7.5466 -7.5466 4.8128 4.8128 5.2813 5.2813 6.2505 6.2505 6.8039 6.8039 6.8756 6.8756 8.0612 8.0612 12.2291 12.2291 12.2875 12.2875 13.4942 13.4942 14.8968 14.8968 15.0128 15.0128 k = 0.6844-0.1562-0.4899 ( 4092 PWs) bands (ev): -53.0154 -53.0154 -33.9375 -33.9375 -27.4960 -27.4960 -26.7296 -26.7296 -26.5549 -26.5549 -7.6964 -7.6964 -7.5485 -7.5485 4.8145 4.8145 5.3367 5.3367 6.2306 6.2306 6.8583 6.8583 6.8760 6.8760 8.0714 8.0714 12.2302 12.2302 12.2755 12.2755 13.4833 13.4833 14.8716 14.8716 15.0115 15.0115 k = 0.6799-0.1489-0.4759 ( 4094 PWs) bands (ev): -53.0170 -53.0170 -33.9382 -33.9382 -27.4910 -27.4910 -26.7233 -26.7233 -26.5547 -26.5547 -7.7271 -7.7271 -7.5501 -7.5501 4.8182 4.8182 5.3931 5.3931 6.2096 6.2096 6.8692 6.8692 6.9212 6.9212 8.0797 8.0797 12.2313 12.2313 12.2651 12.2651 13.4708 13.4708 14.8470 14.8470 15.0113 15.0113 k = 0.6754-0.1417-0.4618 ( 4092 PWs) bands (ev): -53.0187 -53.0187 -33.9390 -33.9390 -27.4859 -27.4859 -26.7169 -26.7169 -26.5544 -26.5544 -7.7585 -7.7585 -7.5515 -7.5515 4.8239 4.8239 5.4498 5.4498 6.1881 6.1881 6.8678 6.8678 6.9797 6.9797 8.0860 8.0860 12.2313 12.2313 12.2572 12.2572 13.4567 13.4567 14.8232 14.8232 15.0122 15.0122 k = 0.6709-0.1344-0.4478 ( 4094 PWs) bands (ev): -53.0204 -53.0204 -33.9398 -33.9398 -27.4807 -27.4807 -26.7103 -26.7103 -26.5542 -26.5542 -7.7903 -7.7903 -7.5526 -7.5526 4.8317 4.8317 5.5058 5.5058 6.1674 6.1674 6.8664 6.8664 7.0393 7.0393 8.0903 8.0903 12.2283 12.2283 12.2534 12.2534 13.4412 13.4412 14.8004 14.8004 15.0140 15.0140 k = 0.6664-0.1271-0.4337 ( 4102 PWs) bands (ev): -53.0221 -53.0221 -33.9406 -33.9406 -27.4755 -27.4755 -26.7037 -26.7037 -26.5539 -26.5539 -7.8226 -7.8226 -7.5535 -7.5535 4.8415 4.8415 5.5595 5.5595 6.1487 6.1487 6.8655 6.8655 7.0996 7.0996 8.0924 8.0924 12.2223 12.2223 12.2538 12.2538 13.4243 13.4243 14.7789 14.7789 15.0168 15.0168 k = 0.6619-0.1198-0.4197 ( 4100 PWs) bands (ev): -53.0238 -53.0238 -33.9414 -33.9414 -27.4702 -27.4702 -26.6970 -26.6970 -26.5537 -26.5537 -7.8552 -7.8552 -7.5542 -7.5542 4.8534 4.8534 5.6089 5.6089 6.1340 6.1340 6.8655 6.8655 7.1602 7.1602 8.0925 8.0925 12.2149 12.2149 12.2566 12.2566 13.4061 13.4061 14.7587 14.7587 15.0204 15.0204 k = 0.6574-0.1126-0.4056 ( 4096 PWs) bands (ev): -53.0256 -53.0256 -33.9422 -33.9422 -27.4650 -27.4650 -26.6903 -26.6903 -26.5533 -26.5533 -7.8881 -7.8881 -7.5547 -7.5547 4.8675 4.8675 5.6512 5.6512 6.1258 6.1258 6.8666 6.8666 7.2211 7.2211 8.0904 8.0904 12.2073 12.2073 12.2604 12.2604 13.3867 13.3867 14.7402 14.7402 15.0249 15.0249 k = 0.6529-0.1053-0.3915 ( 4098 PWs) bands (ev): -53.0273 -53.0273 -33.9431 -33.9431 -27.4598 -27.4598 -26.6835 -26.6835 -26.5530 -26.5530 -7.9212 -7.9212 -7.5551 -7.5551 4.8836 4.8836 5.6830 5.6830 6.1270 6.1270 6.8695 6.8695 7.2819 7.2819 8.0862 8.0862 12.1997 12.1997 12.2647 12.2647 13.3663 13.3663 14.7234 14.7234 15.0301 15.0301 k = 0.6484-0.0980-0.3775 ( 4106 PWs) bands (ev): -53.0291 -53.0291 -33.9439 -33.9439 -27.4546 -27.4546 -26.6766 -26.6766 -26.5527 -26.5527 -7.9544 -7.9544 -7.5552 -7.5552 4.9019 4.9019 5.7017 5.7017 6.1395 6.1395 6.8748 6.8748 7.3426 7.3426 8.0800 8.0800 12.1924 12.1924 12.2692 12.2692 13.3450 13.3450 14.7086 14.7086 15.0360 15.0360 k = 0.6440-0.0907-0.3634 ( 4106 PWs) bands (ev): -53.0308 -53.0308 -33.9447 -33.9447 -27.4494 -27.4494 -26.6698 -26.6698 -26.5523 -26.5523 -7.9875 -7.9875 -7.5552 -7.5552 4.9223 4.9223 5.7067 5.7067 6.1633 6.1633 6.8834 6.8834 7.4027 7.4027 8.0718 8.0718 12.1853 12.1853 12.2737 12.2737 13.3229 13.3229 14.6959 14.6959 15.0424 15.0424 k = 0.6395-0.0835-0.3494 ( 4108 PWs) bands (ev): -53.0326 -53.0326 -33.9455 -33.9455 -27.4444 -27.4444 -26.6629 -26.6629 -26.5518 -26.5518 -8.0206 -8.0206 -7.5550 -7.5550 4.9449 4.9449 5.6997 5.6997 6.1955 6.1955 6.8964 6.8964 7.4621 7.4621 8.0619 8.0619 12.1784 12.1784 12.2780 12.2780 13.3002 13.3002 14.6855 14.6855 15.0494 15.0494 k = 0.6350-0.0762-0.3353 ( 4114 PWs) bands (ev): -53.0343 -53.0343 -33.9463 -33.9463 -27.4394 -27.4394 -26.6560 -26.6560 -26.5513 -26.5513 -8.0536 -8.0536 -7.5547 -7.5547 4.9695 4.9695 5.6835 5.6835 6.2321 6.2321 6.9151 6.9151 7.5201 7.5201 8.0505 8.0505 12.1716 12.1716 12.2820 12.2820 13.2770 13.2770 14.6775 14.6775 15.0567 15.0567 k = 0.6305-0.0689-0.3212 ( 4114 PWs) bands (ev): -53.0360 -53.0360 -33.9471 -33.9471 -27.4345 -27.4345 -26.6492 -26.6492 -26.5508 -26.5508 -8.0864 -8.0864 -7.5543 -7.5543 4.9963 4.9963 5.6609 5.6609 6.2692 6.2692 6.9407 6.9407 7.5761 7.5761 8.0383 8.0383 12.1650 12.1650 12.2855 12.2855 13.2535 13.2535 14.6720 14.6720 15.0643 15.0643 k = 0.6260-0.0616-0.3072 ( 4114 PWs) bands (ev): -53.0377 -53.0377 -33.9479 -33.9479 -27.4297 -27.4297 -26.6424 -26.6424 -26.5502 -26.5502 -8.1188 -8.1188 -7.5538 -7.5538 5.0251 5.0251 5.6340 5.6340 6.3035 6.3035 6.9745 6.9745 7.6290 7.6290 8.0261 8.0261 12.1584 12.1584 12.2884 12.2884 13.2298 13.2298 14.6692 14.6692 15.0722 15.0722 k = 0.6215-0.0544-0.2931 ( 4118 PWs) bands (ev): -53.0394 -53.0394 -33.9487 -33.9487 -27.4250 -27.4250 -26.6357 -26.6357 -26.5495 -26.5495 -8.1509 -8.1509 -7.5532 -7.5532 5.0560 5.0560 5.6042 5.6042 6.3329 6.3329 7.0171 7.0171 7.6771 7.6771 8.0157 8.0157 12.1518 12.1518 12.2905 12.2905 13.2062 13.2062 14.6692 14.6692 15.0801 15.0801 k = 0.6170-0.0471-0.2791 ( 4120 PWs) bands (ev): -53.0411 -53.0411 -33.9495 -33.9495 -27.4205 -27.4205 -26.6291 -26.6291 -26.5487 -26.5487 -8.1825 -8.1825 -7.5524 -7.5524 5.0890 5.0890 5.5725 5.5725 6.3562 6.3562 7.0685 7.0685 7.7175 7.7175 8.0097 8.0097 12.1452 12.1452 12.2918 12.2918 13.1826 13.1826 14.6718 14.6718 15.0880 15.0880 k = 0.6125-0.0398-0.2650 ( 4118 PWs) bands (ev): -53.0427 -53.0427 -33.9503 -33.9503 -27.4160 -27.4160 -26.6226 -26.6226 -26.5477 -26.5477 -8.2136 -8.2136 -7.5516 -7.5516 5.1239 5.1239 5.5398 5.5398 6.3734 6.3734 7.1282 7.1282 7.7460 7.7460 8.0122 8.0122 12.1385 12.1385 12.2921 12.2921 13.1594 13.1594 14.6773 14.6773 15.0959 15.0959 k = 0.6080-0.0325-0.2510 ( 4114 PWs) bands (ev): -53.0443 -53.0443 -33.9510 -33.9510 -27.4118 -27.4118 -26.6164 -26.6164 -26.5467 -26.5467 -8.2441 -8.2441 -7.5508 -7.5508 5.1608 5.1608 5.5065 5.5065 6.3849 6.3849 7.1952 7.1952 7.7588 7.7588 8.0270 8.0270 12.1318 12.1318 12.2912 12.2912 13.1366 13.1366 14.6856 14.6856 15.1036 15.1036 k = 0.6035-0.0253-0.2369 ( 4112 PWs) bands (ev): -53.0459 -53.0459 -33.9518 -33.9518 -27.4077 -27.4077 -26.6104 -26.6104 -26.5454 -26.5454 -8.2739 -8.2739 -7.5499 -7.5499 5.1996 5.1996 5.4731 5.4731 6.3915 6.3915 7.2681 7.2681 7.7556 7.7556 8.0542 8.0542 12.1250 12.1250 12.2891 12.2891 13.1145 13.1145 14.6965 14.6965 15.1111 15.1111 k = 0.5990-0.0180-0.2228 ( 4110 PWs) bands (ev): -53.0474 -53.0474 -33.9525 -33.9525 -27.4037 -27.4037 -26.6047 -26.6047 -26.5439 -26.5439 -8.3030 -8.3030 -7.5489 -7.5489 5.2402 5.2402 5.4398 5.4398 6.3941 6.3941 7.3458 7.3458 7.7397 7.7397 8.0906 8.0906 12.1182 12.1182 12.2856 12.2856 13.0930 13.0930 14.7101 14.7101 15.1183 15.1183 k = 0.5945-0.0107-0.2088 ( 4106 PWs) bands (ev): -53.0489 -53.0489 -33.9532 -33.9532 -27.3999 -27.3999 -26.5993 -26.5993 -26.5422 -26.5422 -8.3312 -8.3312 -7.5479 -7.5479 5.2826 5.2826 5.4069 5.4069 6.3936 6.3936 7.4270 7.4270 7.7148 7.7148 8.1322 8.1322 12.1114 12.1114 12.2807 12.2807 13.0724 13.0724 14.7263 14.7263 15.1251 15.1251 k = 0.5900-0.0034-0.1947 ( 4108 PWs) bands (ev): -53.0504 -53.0504 -33.9539 -33.9539 -27.3963 -27.3963 -26.5944 -26.5944 -26.5402 -26.5402 -8.3586 -8.3586 -7.5469 -7.5469 5.3267 5.3267 5.3746 5.3746 6.3907 6.3907 7.5106 7.5106 7.6839 7.6839 8.1763 8.1763 12.1045 12.1045 12.2743 12.2743 13.0527 13.0527 14.7448 14.7448 15.1316 15.1316 k = 0.5855 0.0039-0.1807 ( 4108 PWs) bands (ev): -53.0518 -53.0518 -33.9545 -33.9545 -27.3929 -27.3929 -26.5899 -26.5899 -26.5380 -26.5380 -8.3851 -8.3851 -7.5459 -7.5459 5.3426 5.3426 5.3731 5.3731 6.3859 6.3859 7.5946 7.5946 7.6496 7.6496 8.2211 8.2211 12.0977 12.0977 12.2664 12.2664 13.0341 13.0341 14.7655 14.7655 15.1375 15.1375 k = 0.5810 0.0111-0.1666 ( 4102 PWs) bands (ev): -53.0531 -53.0531 -33.9552 -33.9552 -27.3897 -27.3897 -26.5859 -26.5859 -26.5354 -26.5354 -8.4106 -8.4106 -7.5449 -7.5449 5.3121 5.3121 5.4203 5.4203 6.3798 6.3798 7.6065 7.6065 7.6846 7.6846 8.2657 8.2657 12.0911 12.0911 12.2570 12.2570 13.0167 13.0167 14.7882 14.7882 15.1430 15.1430 k = 0.5765 0.0184-0.1525 ( 4104 PWs) bands (ev): -53.0544 -53.0544 -33.9558 -33.9558 -27.3866 -27.3866 -26.5824 -26.5824 -26.5325 -26.5325 -8.4351 -8.4351 -7.5439 -7.5439 5.2825 5.2825 5.4693 5.4693 6.3728 6.3728 7.5651 7.5651 7.7701 7.7701 8.3094 8.3094 12.0846 12.0846 12.2460 12.2460 13.0004 13.0004 14.8126 14.8126 15.1479 15.1479 k = 0.5720 0.0257-0.1385 ( 4106 PWs) bands (ev): -53.0557 -53.0557 -33.9563 -33.9563 -27.3837 -27.3837 -26.5794 -26.5794 -26.5293 -26.5293 -8.4584 -8.4584 -7.5429 -7.5429 5.2540 5.2540 5.5197 5.5197 6.3651 6.3651 7.5205 7.5205 7.8559 7.8559 8.3517 8.3517 12.0782 12.0782 12.2336 12.2336 12.9853 12.9853 14.8385 14.8385 15.1522 15.1522 k = 0.5675 0.0330-0.1244 ( 4108 PWs) bands (ev): -53.0568 -53.0568 -33.9569 -33.9569 -27.3810 -27.3810 -26.5768 -26.5768 -26.5259 -26.5259 -8.4806 -8.4806 -7.5419 -7.5419 5.2267 5.2267 5.5714 5.5714 6.3571 6.3571 7.4735 7.4735 7.9406 7.9406 8.3923 8.3923 12.0722 12.0722 12.2199 12.2199 12.9715 12.9715 14.8656 14.8656 15.1560 15.1560 k = 0.5630 0.0402-0.1104 ( 4110 PWs) bands (ev): -53.0580 -53.0580 -33.9574 -33.9574 -27.3785 -27.3785 -26.5747 -26.5747 -26.5224 -26.5224 -8.5016 -8.5016 -7.5410 -7.5410 5.2009 5.2009 5.6243 5.6243 6.3489 6.3489 7.4246 7.4246 8.0237 8.0237 8.4311 8.4311 12.0664 12.0664 12.2050 12.2050 12.9588 12.9588 14.8935 14.8935 15.1593 15.1593 k = 0.5585 0.0475-0.0963 ( 4110 PWs) bands (ev): -53.0590 -53.0590 -33.9579 -33.9579 -27.3761 -27.3761 -26.5729 -26.5729 -26.5188 -26.5188 -8.5214 -8.5214 -7.5400 -7.5400 5.1764 5.1764 5.6782 5.6782 6.3407 6.3407 7.3741 7.3741 8.1046 8.1046 8.4677 8.4677 12.0609 12.0609 12.1891 12.1891 12.9474 12.9474 14.9220 14.9220 15.1619 15.1619 k = 0.5540 0.0548-0.0822 ( 4104 PWs) bands (ev): -53.0600 -53.0600 -33.9584 -33.9584 -27.3740 -27.3740 -26.5713 -26.5713 -26.5152 -26.5152 -8.5399 -8.5399 -7.5392 -7.5392 5.1535 5.1535 5.7331 5.7331 6.3327 6.3327 7.3221 7.3221 8.1826 8.1826 8.5021 8.5021 12.0558 12.0558 12.1724 12.1724 12.9371 12.9371 14.9506 14.9506 15.1641 15.1641 k = 0.5495 0.0621-0.0682 ( 4098 PWs) bands (ev): -53.0609 -53.0609 -33.9588 -33.9588 -27.3720 -27.3720 -26.5701 -26.5701 -26.5117 -26.5117 -8.5570 -8.5570 -7.5384 -7.5384 5.1322 5.1322 5.7887 5.7887 6.3249 6.3249 7.2689 7.2689 8.2573 8.2573 8.5341 8.5341 12.0512 12.0512 12.1553 12.1553 12.9279 12.9279 14.9790 14.9790 15.1658 15.1658 k = 0.5450 0.0693-0.0541 ( 4098 PWs) bands (ev): -53.0618 -53.0618 -33.9592 -33.9592 -27.3702 -27.3702 -26.5691 -26.5691 -26.5083 -26.5083 -8.5728 -8.5728 -7.5376 -7.5376 5.1125 5.1125 5.8447 5.8447 6.3176 6.3176 7.2149 7.2149 8.3280 8.3280 8.5636 8.5636 12.0469 12.0469 12.1379 12.1379 12.9197 12.9197 15.0068 15.0068 15.1670 15.1670 k = 0.5405 0.0766-0.0401 ( 4100 PWs) bands (ev): -53.0625 -53.0625 -33.9596 -33.9596 -27.3686 -27.3686 -26.5682 -26.5682 -26.5051 -26.5051 -8.5872 -8.5872 -7.5369 -7.5369 5.0945 5.0945 5.9010 5.9010 6.3107 6.3107 7.1604 7.1604 8.3941 8.3941 8.5906 8.5906 12.0430 12.0430 12.1207 12.1207 12.9125 12.9125 15.0335 15.0335 15.1678 15.1678 k = 0.5360 0.0839-0.0260 ( 4098 PWs) bands (ev): -53.0632 -53.0632 -33.9599 -33.9599 -27.3672 -27.3672 -26.5675 -26.5675 -26.5022 -26.5022 -8.6001 -8.6001 -7.5362 -7.5362 5.0783 5.0783 5.9572 5.9572 6.3044 6.3044 7.1056 7.1056 8.4551 8.4551 8.6150 8.6150 12.0396 12.0396 12.1040 12.1040 12.9063 12.9063 15.0589 15.0589 15.1683 15.1683 k = 0.5315 0.0912-0.0120 ( 4090 PWs) bands (ev): -53.0638 -53.0638 -33.9602 -33.9602 -27.3659 -27.3659 -26.5669 -26.5669 -26.4995 -26.4995 -8.6116 -8.6116 -7.5356 -7.5356 5.0638 5.0638 6.0128 6.0128 6.2986 6.2986 7.0512 7.0512 8.5104 8.5104 8.6368 8.6368 12.0366 12.0366 12.0881 12.0881 12.9009 12.9009 15.0824 15.0824 15.1685 15.1685 k = 0.5270 0.0984 0.0021 ( 4096 PWs) bands (ev): -53.0644 -53.0644 -33.9604 -33.9604 -27.3648 -27.3648 -26.5664 -26.5664 -26.4971 -26.4971 -8.6217 -8.6217 -7.5351 -7.5351 5.0513 5.0513 6.0672 6.0672 6.2936 6.2936 6.9978 6.9978 8.5593 8.5593 8.6561 8.6561 12.0340 12.0340 12.0734 12.0734 12.8963 12.8963 15.1037 15.1037 15.1686 15.1686 k = 0.5225 0.1057 0.0162 ( 4102 PWs) bands (ev): -53.0648 -53.0648 -33.9606 -33.9606 -27.3639 -27.3639 -26.5660 -26.5660 -26.4950 -26.4950 -8.6302 -8.6302 -7.5347 -7.5347 5.0406 5.0406 6.1195 6.1195 6.2892 6.2892 6.9463 6.9463 8.6013 8.6013 8.6729 8.6729 12.0318 12.0318 12.0602 12.0602 12.8925 12.8925 15.1224 15.1224 15.1684 15.1684 k = 0.5180 0.1130 0.0302 ( 4102 PWs) bands (ev): -53.0652 -53.0652 -33.9608 -33.9608 -27.3631 -27.3631 -26.5657 -26.5657 -26.4933 -26.4933 -8.6372 -8.6372 -7.5343 -7.5343 5.0318 5.0318 6.1683 6.1683 6.2857 6.2857 6.8981 6.8981 8.6355 8.6355 8.6875 8.6875 12.0299 12.0299 12.0490 12.0490 12.8895 12.8895 15.1382 15.1382 15.1683 15.1683 k = 0.5135 0.1203 0.0443 ( 4102 PWs) bands (ev): -53.0655 -53.0655 -33.9610 -33.9610 -27.3625 -27.3625 -26.5655 -26.5655 -26.4920 -26.4920 -8.6426 -8.6426 -7.5341 -7.5341 5.0249 5.0249 6.2117 6.2117 6.2829 6.2829 6.8551 6.8551 8.6613 8.6613 8.7001 8.7001 12.0283 12.0283 12.0401 12.0401 12.8871 12.8871 15.1508 15.1508 15.1681 15.1681 k = 0.5090 0.1275 0.0583 ( 4102 PWs) bands (ev): -53.0657 -53.0657 -33.9611 -33.9611 -27.3621 -27.3621 -26.5653 -26.5653 -26.4910 -26.4910 -8.6465 -8.6465 -7.5339 -7.5339 5.0200 5.0200 6.2467 6.2467 6.2811 6.2811 6.8202 6.8202 8.6783 8.6783 8.7108 8.7108 12.0269 12.0269 12.0339 12.0339 12.8855 12.8855 15.1600 15.1600 15.1680 15.1680 k = 0.5045 0.1348 0.0724 ( 4102 PWs) bands (ev): -53.0658 -53.0658 -33.9611 -33.9611 -27.3619 -27.3619 -26.5652 -26.5652 -26.4904 -26.4904 -8.6489 -8.6489 -7.5337 -7.5337 5.0170 5.0170 6.2692 6.2692 6.2809 6.2809 6.7968 6.7968 8.6875 8.6875 8.7184 8.7184 12.0255 12.0255 12.0306 12.0306 12.8845 12.8845 15.1651 15.1651 15.1683 15.1683 k = 0.5000 0.1421 0.0865 ( 4098 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6496 -8.6496 -7.5337 -7.5337 5.0161 5.0161 6.2752 6.2752 6.2829 6.2829 6.7885 6.7885 8.6904 8.6904 8.7212 8.7212 12.0248 12.0248 12.0297 12.0297 12.8842 12.8842 15.1664 15.1664 15.1689 15.1689 k = 0.5000 0.1421 0.0865 ( 4098 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6496 -8.6496 -7.5337 -7.5337 5.0161 5.0161 6.2752 6.2752 6.2829 6.2829 6.7885 6.7885 8.6904 8.6904 8.7212 8.7212 12.0248 12.0248 12.0297 12.0297 12.8842 12.8842 15.1664 15.1664 15.1689 15.1689 k = 0.4844 0.1376 0.0838 ( 4092 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6500 -8.6500 -7.5332 -7.5332 5.0122 5.0122 6.2751 6.2751 6.2828 6.2828 6.7934 6.7934 8.6905 8.6905 8.7213 8.7213 12.0247 12.0247 12.0297 12.0297 12.8840 12.8840 15.1664 15.1664 15.1689 15.1689 k = 0.4688 0.1332 0.0811 ( 4092 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6510 -8.6510 -7.5318 -7.5318 5.0008 5.0008 6.2748 6.2748 6.2826 6.2826 6.8078 6.8078 8.6909 8.6909 8.7217 8.7217 12.0246 12.0246 12.0296 12.0296 12.8835 12.8835 15.1665 15.1665 15.1690 15.1690 k = 0.4531 0.1288 0.0783 ( 4101 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6527 -8.6527 -7.5295 -7.5295 4.9824 4.9824 6.2745 6.2745 6.2822 6.2822 6.8312 6.8312 8.6916 8.6916 8.7224 8.7224 12.0245 12.0245 12.0295 12.0295 12.8827 12.8827 15.1666 15.1666 15.1691 15.1691 k = 0.4375 0.1243 0.0756 ( 4101 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6551 -8.6551 -7.5262 -7.5262 4.9574 4.9574 6.2739 6.2739 6.2817 6.2817 6.8630 6.8630 8.6926 8.6926 8.7234 8.7234 12.0243 12.0243 12.0293 12.0293 12.8816 12.8816 15.1668 15.1668 15.1693 15.1693 k = 0.4219 0.1199 0.0729 ( 4092 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6581 -8.6581 -7.5221 -7.5221 4.9269 4.9269 6.2732 6.2732 6.2810 6.2810 6.9024 6.9024 8.6938 8.6938 8.7246 8.7246 12.0240 12.0240 12.0291 12.0291 12.8801 12.8801 15.1671 15.1671 15.1695 15.1695 k = 0.4062 0.1154 0.0702 ( 4092 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6616 -8.6616 -7.5172 -7.5172 4.8916 4.8916 6.2724 6.2724 6.2802 6.2802 6.9483 6.9483 8.6953 8.6953 8.7261 8.7261 12.0237 12.0237 12.0288 12.0288 12.8782 12.8782 15.1674 15.1674 15.1697 15.1697 k = 0.3906 0.1110 0.0675 ( 4104 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6657 -8.6657 -7.5116 -7.5116 4.8525 4.8525 6.2714 6.2714 6.2792 6.2792 6.9998 6.9998 8.6970 8.6970 8.7278 8.7278 12.0233 12.0233 12.0284 12.0284 12.8760 12.8760 15.1677 15.1677 15.1700 15.1700 k = 0.3750 0.1066 0.0648 ( 4107 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6703 -8.6703 -7.5052 -7.5052 4.8104 4.8104 6.2704 6.2704 6.2782 6.2782 7.0561 7.0561 8.6990 8.6990 8.7298 8.7298 12.0228 12.0228 12.0280 12.0280 12.8733 12.8733 15.1681 15.1681 15.1704 15.1704 k = 0.3594 0.1021 0.0621 ( 4095 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6753 -8.6753 -7.4983 -7.4983 4.7661 4.7661 6.2692 6.2692 6.2770 6.2770 7.1161 7.1161 8.7011 8.7011 8.7319 8.7319 12.0224 12.0224 12.0276 12.0276 12.8702 12.8702 15.1685 15.1685 15.1708 15.1708 k = 0.3438 0.0977 0.0594 ( 4095 PWs) bands (ev): -53.0659 -53.0659 -33.9610 -33.9610 -27.3618 -27.3618 -26.5653 -26.5653 -26.4902 -26.4902 -8.6806 -8.6806 -7.4909 -7.4909 4.7203 4.7203 6.2679 6.2679 6.2757 6.2757 7.1792 7.1792 8.7034 8.7034 8.7342 8.7342 12.0218 12.0218 12.0271 12.0271 12.8667 12.8667 15.1690 15.1690 15.1712 15.1712 k = 0.3281 0.0932 0.0567 ( 4101 PWs) bands (ev): -53.0659 -53.0659 -33.9610 -33.9610 -27.3618 -27.3618 -26.5653 -26.5653 -26.4902 -26.4902 -8.6862 -8.6862 -7.4830 -7.4830 4.6737 4.6737 6.2666 6.2666 6.2744 6.2744 7.2445 7.2445 8.7059 8.7059 8.7367 8.7367 12.0213 12.0213 12.0266 12.0266 12.8627 12.8627 15.1695 15.1695 15.1716 15.1716 k = 0.3125 0.0888 0.0540 ( 4119 PWs) bands (ev): -53.0659 -53.0659 -33.9610 -33.9610 -27.3619 -27.3619 -26.5653 -26.5653 -26.4902 -26.4902 -8.6921 -8.6921 -7.4747 -7.4747 4.6267 4.6267 6.2651 6.2651 6.2729 6.2729 7.3113 7.3113 8.7085 8.7085 8.7393 8.7393 12.0207 12.0207 12.0260 12.0260 12.8582 12.8582 15.1701 15.1701 15.1721 15.1721 k = 0.2969 0.0844 0.0513 ( 4119 PWs) bands (ev): -53.0659 -53.0659 -33.9610 -33.9610 -27.3619 -27.3619 -26.5653 -26.5653 -26.4902 -26.4902 -8.6981 -8.6981 -7.4662 -7.4662 4.5799 4.5799 6.2636 6.2636 6.2714 6.2714 7.3791 7.3791 8.7112 8.7112 8.7420 8.7420 12.0200 12.0200 12.0254 12.0254 12.8532 12.8532 15.1706 15.1706 15.1726 15.1726 k = 0.2812 0.0799 0.0486 ( 4119 PWs) bands (ev): -53.0659 -53.0659 -33.9610 -33.9610 -27.3619 -27.3619 -26.5653 -26.5653 -26.4902 -26.4902 -8.7042 -8.7042 -7.4576 -7.4576 4.5336 4.5336 6.2621 6.2621 6.2699 6.2699 7.4473 7.4473 8.7140 8.7140 8.7448 8.7448 12.0194 12.0194 12.0248 12.0248 12.8478 12.8478 15.1712 15.1712 15.1732 15.1732 k = 0.2656 0.0755 0.0459 ( 4104 PWs) bands (ev): -53.0659 -53.0659 -33.9609 -33.9609 -27.3619 -27.3619 -26.5653 -26.5653 -26.4902 -26.4902 -8.7104 -8.7104 -7.4488 -7.4488 4.4883 4.4883 6.2605 6.2605 6.2684 6.2684 7.5152 7.5152 8.7169 8.7169 8.7476 8.7476 12.0187 12.0187 12.0242 12.0242 12.8419 12.8419 15.1718 15.1718 15.1737 15.1737 k = 0.2500 0.0710 0.0432 ( 4098 PWs) bands (ev): -53.0659 -53.0659 -33.9609 -33.9609 -27.3619 -27.3619 -26.5654 -26.5654 -26.4902 -26.4902 -8.7165 -8.7165 -7.4400 -7.4400 4.4443 4.4443 6.2590 6.2590 6.2668 6.2668 7.5825 7.5825 8.7198 8.7198 8.7505 8.7505 12.0180 12.0180 12.0236 12.0236 12.8355 12.8355 15.1725 15.1725 15.1743 15.1743 k = 0.2344 0.0666 0.0405 ( 4092 PWs) bands (ev): -53.0659 -53.0659 -33.9609 -33.9609 -27.3619 -27.3619 -26.5654 -26.5654 -26.4902 -26.4902 -8.7226 -8.7226 -7.4313 -7.4313 4.4019 4.4019 6.2574 6.2574 6.2653 6.2653 7.6485 7.6485 8.7227 8.7227 8.7534 8.7534 12.0174 12.0174 12.0229 12.0229 12.8287 12.8287 15.1731 15.1731 15.1748 15.1748 k = 0.2188 0.0622 0.0378 ( 4089 PWs) bands (ev): -53.0659 -53.0659 -33.9609 -33.9609 -27.3619 -27.3619 -26.5654 -26.5654 -26.4902 -26.4902 -8.7285 -8.7285 -7.4227 -7.4227 4.3612 4.3612 6.2558 6.2558 6.2637 6.2637 7.7130 7.7130 8.7255 8.7255 8.7562 8.7562 12.0167 12.0167 12.0223 12.0223 12.8216 12.8216 15.1738 15.1738 15.1754 15.1754 k = 0.2031 0.0577 0.0351 ( 4089 PWs) bands (ev): -53.0659 -53.0659 -33.9608 -33.9608 -27.3619 -27.3619 -26.5654 -26.5654 -26.4902 -26.4902 -8.7342 -8.7342 -7.4144 -7.4144 4.3225 4.3225 6.2543 6.2543 6.2622 6.2622 7.7753 7.7753 8.7283 8.7283 8.7590 8.7590 12.0160 12.0160 12.0217 12.0217 12.8141 12.8141 15.1744 15.1744 15.1760 15.1760 k = 0.1875 0.0533 0.0324 ( 4083 PWs) bands (ev): -53.0659 -53.0659 -33.9608 -33.9608 -27.3619 -27.3619 -26.5654 -26.5654 -26.4902 -26.4902 -8.7398 -8.7398 -7.4064 -7.4064 4.2861 4.2861 6.2529 6.2529 6.2607 6.2607 7.8350 7.8350 8.7311 8.7311 8.7617 8.7617 12.0153 12.0153 12.0211 12.0211 12.8065 12.8065 15.1750 15.1750 15.1765 15.1765 k = 0.1719 0.0488 0.0297 ( 4080 PWs) bands (ev): -53.0659 -53.0659 -33.9608 -33.9608 -27.3620 -27.3620 -26.5654 -26.5654 -26.4902 -26.4902 -8.7450 -8.7450 -7.3987 -7.3987 4.2520 4.2520 6.2514 6.2514 6.2593 6.2593 7.8918 7.8918 8.7337 8.7337 8.7643 8.7643 12.0147 12.0147 12.0205 12.0205 12.7988 12.7988 15.1756 15.1756 15.1771 15.1771 k = 0.1562 0.0444 0.0270 ( 4074 PWs) bands (ev): -53.0659 -53.0659 -33.9608 -33.9608 -27.3620 -27.3620 -26.5654 -26.5654 -26.4902 -26.4902 -8.7499 -8.7499 -7.3915 -7.3915 4.2204 4.2204 6.2501 6.2501 6.2580 6.2580 7.9453 7.9453 8.7362 8.7362 8.7667 8.7667 12.0141 12.0141 12.0199 12.0199 12.7910 12.7910 15.1762 15.1762 15.1776 15.1776 k = 0.1406 0.0400 0.0243 ( 4071 PWs) bands (ev): -53.0659 -53.0659 -33.9608 -33.9608 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7545 -8.7545 -7.3848 -7.3848 4.1914 4.1914 6.2489 6.2489 6.2568 6.2568 7.9950 7.9950 8.7385 8.7385 8.7691 8.7691 12.0135 12.0135 12.0194 12.0194 12.7834 12.7834 15.1767 15.1767 15.1781 15.1781 k = 0.1250 0.0355 0.0216 ( 4074 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7586 -8.7586 -7.3786 -7.3786 4.1653 4.1653 6.2477 6.2477 6.2556 6.2556 8.0406 8.0406 8.7407 8.7407 8.7712 8.7712 12.0130 12.0130 12.0188 12.0188 12.7761 12.7761 15.1773 15.1773 15.1785 15.1785 k = 0.1094 0.0311 0.0189 ( 4074 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7624 -8.7624 -7.3731 -7.3731 4.1419 4.1419 6.2467 6.2467 6.2546 6.2546 8.0818 8.0818 8.7426 8.7426 8.7731 8.7731 12.0125 12.0125 12.0184 12.0184 12.7692 12.7692 15.1777 15.1777 15.1790 15.1790 k = 0.0938 0.0266 0.0162 ( 4056 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7657 -8.7657 -7.3682 -7.3682 4.1216 4.1216 6.2458 6.2458 6.2537 6.2537 8.1182 8.1182 8.7444 8.7444 8.7748 8.7748 12.0120 12.0120 12.0180 12.0180 12.7629 12.7629 15.1781 15.1781 15.1793 15.1793 k = 0.0781 0.0222 0.0135 ( 4056 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7685 -8.7685 -7.3640 -7.3640 4.1042 4.1042 6.2450 6.2450 6.2529 6.2529 8.1495 8.1495 8.7459 8.7459 8.7763 8.7763 12.0117 12.0117 12.0176 12.0176 12.7572 12.7572 15.1785 15.1785 15.1797 15.1797 k = 0.0625 0.0178 0.0108 ( 4065 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7709 -8.7709 -7.3605 -7.3605 4.0899 4.0899 6.2443 6.2443 6.2522 6.2522 8.1755 8.1755 8.7471 8.7471 8.7775 8.7775 12.0113 12.0113 12.0173 12.0173 12.7524 12.7524 15.1788 15.1788 15.1799 15.1799 k = 0.0469 0.0133 0.0081 ( 4068 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7727 -8.7727 -7.3577 -7.3577 4.0788 4.0788 6.2438 6.2438 6.2517 6.2517 8.1960 8.1960 8.7481 8.7481 8.7785 8.7785 12.0111 12.0111 12.0171 12.0171 12.7485 12.7485 15.1790 15.1790 15.1801 15.1801 k = 0.0312 0.0089 0.0054 ( 4063 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7740 -8.7740 -7.3558 -7.3558 4.0708 4.0708 6.2434 6.2434 6.2513 6.2513 8.2107 8.2107 8.7488 8.7488 8.7792 8.7792 12.0109 12.0109 12.0169 12.0169 12.7456 12.7456 15.1792 15.1792 15.1803 15.1803 k = 0.0156 0.0044 0.0027 ( 4069 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7748 -8.7748 -7.3546 -7.3546 4.0659 4.0659 6.2432 6.2432 6.2511 6.2511 8.2196 8.2196 8.7493 8.7493 8.7796 8.7796 12.0108 12.0108 12.0168 12.0168 12.7439 12.7439 15.1793 15.1793 15.1804 15.1804 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7751 -8.7751 -7.3542 -7.3542 4.0643 4.0643 6.2431 6.2431 6.2510 6.2510 8.2226 8.2226 8.7494 8.7494 8.7797 8.7797 12.0108 12.0108 12.0168 12.0168 12.7433 12.7433 15.1793 15.1793 15.1804 15.1804 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -53.0659 -53.0659 -33.9607 -33.9607 -27.3620 -27.3620 -26.5655 -26.5655 -26.4902 -26.4902 -8.7751 -8.7751 -7.3542 -7.3542 4.0643 4.0643 6.2431 6.2431 6.2510 6.2510 8.2226 8.2226 8.7494 8.7494 8.7797 8.7797 12.0108 12.0108 12.0168 12.0168 12.7433 12.7433 15.1793 15.1793 15.1804 15.1804 k = 0.0045-0.0073-0.0141 ( 4065 PWs) bands (ev): -53.0658 -53.0658 -33.9607 -33.9607 -27.3621 -27.3621 -26.5655 -26.5655 -26.4904 -26.4904 -8.7743 -8.7743 -7.3542 -7.3542 4.0653 4.0653 6.2420 6.2420 6.2503 6.2503 8.2242 8.2242 8.7467 8.7467 8.7772 8.7772 12.0116 12.0116 12.0178 12.0178 12.7435 12.7435 15.1776 15.1776 15.1799 15.1799 k = 0.0090-0.0146-0.0282 ( 4063 PWs) bands (ev): -53.0657 -53.0657 -33.9606 -33.9606 -27.3623 -27.3623 -26.5656 -26.5656 -26.4910 -26.4910 -8.7720 -8.7720 -7.3544 -7.3544 4.0683 4.0683 6.2369 6.2369 6.2498 6.2498 8.2289 8.2289 8.7382 8.7382 8.7701 8.7701 12.0137 12.0137 12.0211 12.0211 12.7441 12.7441 15.1715 15.1715 15.1793 15.1793 k = 0.0135-0.0219-0.0423 ( 4063 PWs) bands (ev): -53.0655 -53.0655 -33.9605 -33.9605 -27.3628 -27.3628 -26.5658 -26.5658 -26.4919 -26.4919 -8.7682 -8.7682 -7.3548 -7.3548 4.0732 4.0732 6.2268 6.2268 6.2508 6.2508 8.2367 8.2367 8.7224 8.7224 8.7600 8.7600 12.0162 12.0162 12.0274 12.0274 12.7451 12.7451 15.1614 15.1614 15.1785 15.1785 k = 0.0180-0.0292-0.0563 ( 4065 PWs) bands (ev): -53.0652 -53.0652 -33.9604 -33.9604 -27.3633 -27.3633 -26.5660 -26.5660 -26.4933 -26.4933 -8.7628 -8.7628 -7.3553 -7.3553 4.0800 4.0800 6.2122 6.2122 6.2529 6.2529 8.2471 8.2471 8.6984 8.6984 8.7481 8.7481 12.0192 12.0192 12.0366 12.0366 12.7466 12.7466 15.1476 15.1476 15.1773 15.1773 k = 0.0225-0.0364-0.0704 ( 4063 PWs) bands (ev): -53.0648 -53.0648 -33.9602 -33.9602 -27.3641 -27.3641 -26.5663 -26.5663 -26.4950 -26.4950 -8.7560 -8.7560 -7.3559 -7.3559 4.0888 4.0888 6.1936 6.1936 6.2558 6.2558 8.2600 8.2600 8.6664 8.6664 8.7345 8.7345 12.0228 12.0228 12.0483 12.0483 12.7485 12.7485 15.1305 15.1305 15.1758 15.1758 k = 0.0270-0.0437-0.0845 ( 4061 PWs) bands (ev): -53.0644 -53.0644 -33.9600 -33.9600 -27.3650 -27.3650 -26.5667 -26.5667 -26.4971 -26.4971 -8.7476 -8.7476 -7.3566 -7.3566 4.0996 4.0996 6.1716 6.1716 6.2594 6.2594 8.2748 8.2748 8.6271 8.6271 8.7190 8.7190 12.0271 12.0271 12.0622 12.0622 12.7510 12.7510 15.1106 15.1106 15.1738 15.1738 k = 0.0316-0.0510-0.0986 ( 4067 PWs) bands (ev): -53.0638 -53.0638 -33.9597 -33.9597 -27.3661 -27.3661 -26.5672 -26.5672 -26.4995 -26.4995 -8.7377 -8.7377 -7.3575 -7.3575 4.1122 4.1122 6.1464 6.1464 6.2635 6.2635 8.2910 8.2910 8.5811 8.5811 8.7015 8.7015 12.0321 12.0321 12.0779 12.0779 12.7541 12.7541 15.0882 15.0882 15.1714 15.1714 k = 0.0361-0.0583-0.1127 ( 4071 PWs) bands (ev): -53.0632 -53.0632 -33.9594 -33.9594 -27.3674 -27.3674 -26.5678 -26.5678 -26.5022 -26.5022 -8.7264 -8.7264 -7.3584 -7.3584 4.1267 4.1267 6.1185 6.1185 6.2682 6.2682 8.3082 8.3082 8.5293 8.5293 8.6819 8.6819 12.0379 12.0379 12.0951 12.0951 12.7579 12.7579 15.0641 15.0641 15.1685 15.1685 k = 0.0406-0.0656-0.1268 ( 4073 PWs) bands (ev): -53.0625 -53.0625 -33.9591 -33.9591 -27.3688 -27.3688 -26.5685 -26.5685 -26.5052 -26.5052 -8.7137 -8.7137 -7.3596 -7.3596 4.1431 4.1431 6.0883 6.0883 6.2733 6.2733 8.3254 8.3254 8.4722 8.4722 8.6603 8.6603 12.0444 12.0444 12.1134 12.1134 12.7625 12.7625 15.0387 15.0387 15.1650 15.1650 k = 0.0451-0.0729-0.1409 ( 4079 PWs) bands (ev): -53.0618 -53.0618 -33.9588 -33.9588 -27.3704 -27.3704 -26.5694 -26.5694 -26.5084 -26.5084 -8.6996 -8.6996 -7.3608 -7.3608 4.1614 4.1614 6.0560 6.0560 6.2788 6.2788 8.3413 8.3413 8.4112 8.4112 8.6370 8.6370 12.0517 12.0517 12.1324 12.1324 12.7679 12.7679 15.0125 15.0125 15.1610 15.1610 k = 0.0496-0.0802-0.1549 ( 4089 PWs) bands (ev): -53.0609 -53.0609 -33.9584 -33.9584 -27.3722 -27.3722 -26.5704 -26.5704 -26.5118 -26.5118 -8.6840 -8.6840 -7.3621 -7.3621 4.1814 4.1814 6.0222 6.0222 6.2846 6.2846 8.3340 8.3340 8.3678 8.3678 8.6123 8.6123 12.0597 12.0597 12.1520 12.1520 12.7744 12.7744 14.9862 14.9862 15.1565 15.1565 k = 0.0541-0.0875-0.1690 ( 4093 PWs) bands (ev): -53.0600 -53.0600 -33.9580 -33.9580 -27.3742 -27.3742 -26.5717 -26.5717 -26.5153 -26.5153 -8.6671 -8.6671 -7.3636 -7.3636 4.2033 4.2033 5.9871 5.9871 6.2906 6.2906 8.2687 8.2687 8.3763 8.3763 8.5871 8.5871 12.0685 12.0685 12.1716 12.1716 12.7820 12.7820 14.9602 14.9602 15.1513 15.1513 k = 0.0586-0.0948-0.1831 ( 4093 PWs) bands (ev): -53.0590 -53.0590 -33.9575 -33.9575 -27.3764 -27.3764 -26.5732 -26.5732 -26.5189 -26.5189 -8.6490 -8.6490 -7.3652 -7.3652 4.2269 4.2269 5.9511 5.9511 6.2967 6.2967 8.1954 8.1954 8.3856 8.3856 8.5626 8.5626 12.0780 12.0780 12.1910 12.1910 12.7908 12.7908 14.9351 14.9351 15.1456 15.1456 k = 0.0631-0.1021-0.1972 ( 4089 PWs) bands (ev): -53.0579 -53.0579 -33.9570 -33.9570 -27.3787 -27.3787 -26.5750 -26.5750 -26.5225 -26.5225 -8.6295 -8.6295 -7.3668 -7.3668 4.2523 4.2523 5.9144 5.9144 6.3028 6.3028 8.1187 8.1187 8.3890 8.3890 8.5411 8.5411 12.0883 12.0883 12.2099 12.2099 12.8010 12.8010 14.9113 14.9113 15.1393 15.1393 k = 0.0676-0.1093-0.2113 ( 4093 PWs) bands (ev): -53.0568 -53.0568 -33.9565 -33.9565 -27.3812 -27.3812 -26.5771 -26.5771 -26.5260 -26.5260 -8.6088 -8.6088 -7.3686 -7.3686 4.2793 4.2793 5.8774 5.8774 6.3087 6.3087 8.0394 8.0394 8.3830 8.3830 8.5252 8.5252 12.0992 12.0992 12.2280 12.2280 12.8128 12.8128 14.8893 14.8893 15.1324 15.1324 k = 0.0721-0.1166-0.2254 ( 4095 PWs) bands (ev): -53.0556 -53.0556 -33.9560 -33.9560 -27.3839 -27.3839 -26.5797 -26.5797 -26.5294 -26.5294 -8.5869 -8.5869 -7.3705 -7.3705 4.3080 4.3080 5.8403 5.8403 6.3143 6.3143 7.9583 7.9583 8.3658 8.3658 8.5167 8.5167 12.1107 12.1107 12.2451 12.2451 12.8261 12.8261 14.8695 14.8695 15.1250 15.1250 k = 0.0766-0.1239-0.2395 ( 4101 PWs) bands (ev): -53.0544 -53.0544 -33.9554 -33.9554 -27.3868 -27.3868 -26.5827 -26.5827 -26.5326 -26.5326 -8.5638 -8.5638 -7.3724 -7.3724 4.3382 4.3382 5.8033 5.8033 6.3194 6.3194 7.8758 7.8758 8.3388 8.3388 8.5139 8.5139 12.1228 12.1228 12.2609 12.2609 12.8411 12.8411 14.8522 14.8522 15.1171 15.1171 k = 0.0811-0.1312-0.2536 ( 4103 PWs) bands (ev): -53.0531 -53.0531 -33.9548 -33.9548 -27.3899 -27.3899 -26.5862 -26.5862 -26.5355 -26.5355 -8.5397 -8.5397 -7.3744 -7.3744 4.3701 4.3701 5.7667 5.7667 6.3237 6.3237 7.7924 7.7924 8.3048 8.3048 8.5138 8.5138 12.1356 12.1356 12.2754 12.2754 12.8579 12.8579 14.8377 14.8377 15.1088 15.1088 k = 0.0856-0.1385-0.2676 ( 4105 PWs) bands (ev): -53.0517 -53.0517 -33.9542 -33.9542 -27.3932 -27.3932 -26.5902 -26.5902 -26.5381 -26.5381 -8.5144 -8.5144 -7.3765 -7.3765 4.4034 4.4034 5.7306 5.7306 6.3270 6.3270 7.7087 7.7087 8.2662 8.2662 8.5140 8.5140 12.1488 12.1488 12.2885 12.2885 12.8764 12.8764 14.8263 14.8263 15.1000 15.1000 k = 0.0901-0.1458-0.2817 ( 4101 PWs) bands (ev): -53.0503 -53.0503 -33.9535 -33.9535 -27.3966 -27.3966 -26.5947 -26.5947 -26.5404 -26.5404 -8.4882 -8.4882 -7.3787 -7.3787 4.4382 4.4382 5.6952 5.6952 6.3289 6.3289 7.6252 7.6252 8.2242 8.2242 8.5130 8.5130 12.1625 12.1625 12.3001 12.3001 12.8967 12.8967 14.8183 14.8183 15.0909 15.0909 k = 0.0947-0.1531-0.2958 ( 4099 PWs) bands (ev): -53.0489 -53.0489 -33.9528 -33.9528 -27.4002 -27.4002 -26.5996 -26.5996 -26.5424 -26.5424 -8.4611 -8.4611 -7.3809 -7.3809 4.4744 4.4744 5.6607 5.6607 6.3292 6.3292 7.5426 7.5426 8.1798 8.1798 8.5100 8.5100 12.1766 12.1766 12.3101 12.3101 12.9185 12.9185 14.8136 14.8136 15.0815 15.0815 k = 0.0992-0.1604-0.3099 ( 4099 PWs) bands (ev): -53.0474 -53.0474 -33.9521 -33.9521 -27.4040 -27.4040 -26.6050 -26.6050 -26.5441 -26.5441 -8.4331 -8.4331 -7.3832 -7.3832 4.5119 4.5119 5.6272 5.6272 6.3273 6.3273 7.4614 7.4614 8.1335 8.1335 8.5045 8.5045 12.1910 12.1910 12.3188 12.3188 12.9420 12.9420 14.8126 14.8126 15.0718 15.0718 k = 0.1037-0.1677-0.3240 ( 4099 PWs) bands (ev): -53.0458 -53.0458 -33.9514 -33.9514 -27.4079 -27.4079 -26.6107 -26.6107 -26.5456 -26.5456 -8.4042 -8.4042 -7.3855 -7.3855 4.5508 4.5508 5.5948 5.5948 6.3228 6.3228 7.3823 7.3823 8.0856 8.0856 8.4962 8.4962 12.2057 12.2057 12.3260 12.3260 12.9668 12.9668 14.8152 14.8152 15.0619 15.0619 k = 0.1082-0.1750-0.3381 ( 4097 PWs) bands (ev): -53.0443 -53.0443 -33.9507 -33.9507 -27.4120 -27.4120 -26.6167 -26.6167 -26.5468 -26.5468 -8.3746 -8.3746 -7.3878 -7.3878 4.5909 4.5909 5.5636 5.5636 6.3150 6.3150 7.3061 7.3061 8.0363 8.0363 8.4850 8.4850 12.2207 12.2207 12.3320 12.3320 12.9929 12.9929 14.8215 14.8215 15.0519 15.0519 k = 0.1127-0.1822-0.3522 ( 4097 PWs) bands (ev): -53.0427 -53.0427 -33.9500 -33.9500 -27.4163 -27.4163 -26.6229 -26.6229 -26.5479 -26.5479 -8.3442 -8.3442 -7.3902 -7.3902 4.6321 4.6321 5.5337 5.5337 6.3034 6.3034 7.2337 7.2337 7.9861 7.9861 8.4706 8.4706 12.2359 12.2359 12.3369 12.3369 13.0201 13.0201 14.8314 14.8314 15.0419 15.0419 k = 0.1172-0.1895-0.3662 ( 4101 PWs) bands (ev): -53.0410 -53.0410 -33.9492 -33.9492 -27.4207 -27.4207 -26.6294 -26.6294 -26.5488 -26.5488 -8.3132 -8.3132 -7.3926 -7.3926 4.6745 4.6745 5.5052 5.5052 6.2872 6.2872 7.1657 7.1657 7.9349 7.9349 8.4532 8.4532 12.2513 12.2513 12.3408 12.3408 13.0482 13.0482 14.8449 14.8449 15.0319 15.0319 k = 0.1217-0.1968-0.3803 ( 4097 PWs) bands (ev): -53.0393 -53.0393 -33.9484 -33.9484 -27.4253 -27.4253 -26.6360 -26.6360 -26.5496 -26.5496 -8.2817 -8.2817 -7.3949 -7.3949 4.7179 4.7179 5.4781 5.4781 6.2658 6.2658 7.1030 7.1030 7.8830 7.8830 8.4327 8.4327 12.2667 12.2667 12.3439 12.3439 13.0770 13.0770 14.8619 14.8619 15.0220 15.0220 k = 0.1262-0.2041-0.3944 ( 4097 PWs) bands (ev): -53.0376 -53.0376 -33.9476 -33.9476 -27.4300 -27.4300 -26.6427 -26.6427 -26.5503 -26.5503 -8.2496 -8.2496 -7.3973 -7.3973 4.7622 4.7622 5.4525 5.4525 6.2387 6.2387 7.0463 7.0463 7.8307 7.8307 8.4092 8.4092 12.2822 12.2822 12.3463 12.3463 13.1064 13.1064 14.8821 14.8821 15.0123 15.0123 k = 0.1307-0.2114-0.4085 ( 4099 PWs) bands (ev): -53.0359 -53.0359 -33.9469 -33.9469 -27.4348 -27.4348 -26.6495 -26.6495 -26.5509 -26.5509 -8.2171 -8.2171 -7.3996 -7.3996 4.8075 4.8075 5.4284 5.4284 6.2054 6.2054 6.9959 6.9959 7.7779 7.7779 8.3827 8.3827 12.2976 12.2976 12.3483 12.3483 13.1361 13.1361 14.9054 14.9054 15.0028 15.0028 k = 0.1352-0.2187-0.4226 ( 4097 PWs) bands (ev): -53.0342 -53.0342 -33.9461 -33.9461 -27.4397 -27.4397 -26.6564 -26.6564 -26.5515 -26.5515 -8.1842 -8.1842 -7.4019 -7.4019 4.8536 4.8536 5.4059 5.4059 6.1660 6.1660 6.9520 6.9520 7.7250 7.7250 8.3533 8.3533 12.3125 12.3125 12.3504 12.3504 13.1659 13.1659 14.9316 14.9316 14.9937 14.9937 k = 0.1397-0.2260-0.4367 ( 4097 PWs) bands (ev): -53.0325 -53.0325 -33.9453 -33.9453 -27.4447 -27.4447 -26.6632 -26.6632 -26.5519 -26.5519 -8.1510 -8.1510 -7.4041 -7.4041 4.9004 4.9004 5.3850 5.3850 6.1208 6.1208 6.9144 6.9144 7.6720 7.6720 8.3213 8.3213 12.3263 12.3263 12.3533 12.3533 13.1957 13.1957 14.9604 14.9604 14.9851 14.9851 k = 0.1442-0.2333-0.4508 ( 4099 PWs) bands (ev): -53.0307 -53.0307 -33.9445 -33.9445 -27.4497 -27.4497 -26.6701 -26.6701 -26.5524 -26.5524 -8.1176 -8.1176 -7.4063 -7.4063 4.9479 4.9479 5.3656 5.3656 6.0706 6.0706 6.8823 6.8823 7.6192 7.6192 8.2866 8.2866 12.3368 12.3368 12.3594 12.3594 13.2252 13.2252 14.9767 14.9767 14.9919 14.9919 k = 0.1487-0.2406-0.4648 ( 4101 PWs) bands (ev): -53.0290 -53.0290 -33.9436 -33.9436 -27.4549 -27.4549 -26.6770 -26.6770 -26.5528 -26.5528 -8.0841 -8.0841 -7.4084 -7.4084 4.9960 4.9960 5.3478 5.3478 6.0161 6.0161 6.8551 6.8551 7.5666 7.5666 8.2495 8.2495 12.3422 12.3422 12.3705 12.3705 13.2543 13.2543 14.9692 14.9692 15.0250 15.0250 k = 0.1532-0.2479-0.4789 ( 4099 PWs) bands (ev): -53.0272 -53.0272 -33.9428 -33.9428 -27.4601 -27.4601 -26.6839 -26.6839 -26.5531 -26.5531 -8.0505 -8.0505 -7.4105 -7.4105 5.0445 5.0445 5.3316 5.3316 5.9584 5.9584 6.8319 6.8319 7.5145 7.5145 8.2101 8.2101 12.3445 12.3445 12.3847 12.3847 13.2828 13.2828 14.9623 14.9623 15.0601 15.0601 k = 0.1578-0.2551-0.4930 ( 4093 PWs) bands (ev): -53.0255 -53.0255 -33.9420 -33.9420 -27.4653 -27.4653 -26.6907 -26.6907 -26.5534 -26.5534 -8.0168 -8.0168 -7.4124 -7.4124 5.0935 5.0935 5.3169 5.3169 5.8984 5.8984 6.8117 6.8117 7.4630 7.4630 8.1687 8.1687 12.3457 12.3457 12.4002 12.4002 13.3104 13.3104 14.9561 14.9561 15.0966 15.0966 k = 0.1623-0.2624-0.5071 ( 4097 PWs) bands (ev): -53.0237 -53.0237 -33.9412 -33.9412 -27.4705 -27.4705 -26.6974 -26.6974 -26.5537 -26.5537 -7.9833 -7.9833 -7.4142 -7.4142 5.1427 5.1427 5.3037 5.3037 5.8369 5.8369 6.7938 6.7938 7.4122 7.4122 8.1252 8.1252 12.3465 12.3465 12.4161 12.4161 13.3371 13.3371 14.9508 14.9508 15.1342 15.1342 k = 0.1668-0.2697-0.5212 ( 4091 PWs) bands (ev): -53.0220 -53.0220 -33.9404 -33.9404 -27.4758 -27.4758 -26.7041 -26.7041 -26.5540 -26.5540 -7.9498 -7.9498 -7.4159 -7.4159 5.1921 5.1921 5.2920 5.2920 5.7749 5.7749 6.7774 6.7774 7.3624 7.3624 8.0801 8.0801 12.3474 12.3474 12.4323 12.4323 13.3626 13.3626 14.9464 14.9464 15.1726 15.1726 k = 0.1713-0.2770-0.5353 ( 4085 PWs) bands (ev): -53.0203 -53.0203 -33.9396 -33.9396 -27.4810 -27.4810 -26.7107 -26.7107 -26.5542 -26.5542 -7.9166 -7.9166 -7.4175 -7.4175 5.2413 5.2413 5.2818 5.2818 5.7129 5.7129 6.7620 6.7620 7.3136 7.3136 8.0333 8.0333 12.3485 12.3485 12.4487 12.4487 13.3868 13.3868 14.9429 14.9429 15.2115 15.2115 k = 0.1758-0.2843-0.5494 ( 4079 PWs) bands (ev): -53.0186 -53.0186 -33.9388 -33.9388 -27.4862 -27.4862 -26.7173 -26.7173 -26.5545 -26.5545 -7.8837 -7.8837 -7.4190 -7.4190 5.2715 5.2715 5.2918 5.2918 5.6517 5.6517 6.7471 6.7471 7.2661 7.2661 7.9851 7.9851 12.3499 12.3499 12.4653 12.4653 13.4094 13.4094 14.9404 14.9404 15.2506 15.2506 k = 0.1803-0.2916-0.5634 ( 4079 PWs) bands (ev): -53.0169 -53.0169 -33.9381 -33.9381 -27.4913 -27.4913 -26.7237 -26.7237 -26.5547 -26.5547 -7.8512 -7.8512 -7.4202 -7.4202 5.2642 5.2642 5.3400 5.3400 5.5918 5.5918 6.7324 6.7324 7.2200 7.2200 7.9356 7.9356 12.3517 12.3517 12.4819 12.4819 13.4304 13.4304 14.9390 14.9390 15.2894 15.2894 k = 0.1848-0.2989-0.5775 ( 4085 PWs) bands (ev): -53.0152 -53.0152 -33.9373 -33.9373 -27.4964 -27.4964 -26.7300 -26.7300 -26.5549 -26.5549 -7.8191 -7.8191 -7.4214 -7.4214 5.2575 5.2575 5.3874 5.3874 5.5344 5.5344 6.7175 6.7175 7.1754 7.1754 7.8851 7.8851 12.3539 12.3539 12.4986 12.4986 13.4495 13.4495 14.9387 14.9387 15.3278 15.3278 k = 0.1893-0.3062-0.5916 ( 4087 PWs) bands (ev): -53.0136 -53.0136 -33.9366 -33.9366 -27.5013 -27.5013 -26.7363 -26.7363 -26.5551 -26.5551 -7.7876 -7.7876 -7.4223 -7.4223 5.2518 5.2518 5.4274 5.4274 5.4860 5.4860 6.7022 6.7022 7.1327 7.1327 7.8336 7.8336 12.3567 12.3567 12.5153 12.5153 13.4666 13.4666 14.9394 14.9394 15.3654 15.3654 k = 0.1938-0.3135-0.6057 ( 4081 PWs) bands (ev): -53.0120 -53.0120 -33.9358 -33.9358 -27.5062 -27.5062 -26.7424 -26.7424 -26.5553 -26.5553 -7.7566 -7.7566 -7.4231 -7.4231 5.2470 5.2470 5.4099 5.4099 5.4964 5.4964 6.6864 6.6864 7.0918 7.0918 7.7813 7.7813 12.3600 12.3600 12.5321 12.5321 13.4817 13.4817 14.9413 14.9413 15.4019 15.4019 k = 0.1983-0.3208-0.6198 ( 4087 PWs) bands (ev): -53.0104 -53.0104 -33.9351 -33.9351 -27.5109 -27.5109 -26.7484 -26.7484 -26.5555 -26.5555 -7.7263 -7.7263 -7.4237 -7.4237 5.2430 5.2430 5.3611 5.3611 5.5399 5.5399 6.6700 6.6700 7.0530 7.0530 7.7284 7.7284 12.3640 12.3640 12.5489 12.5489 13.4945 13.4945 14.9443 14.9443 15.4370 15.4370 k = 0.2028-0.3280-0.6339 ( 4091 PWs) bands (ev): -53.0089 -53.0089 -33.9344 -33.9344 -27.5155 -27.5155 -26.7543 -26.7543 -26.5557 -26.5557 -7.6967 -7.6967 -7.4240 -7.4240 5.2396 5.2396 5.3118 5.3118 5.5854 5.5854 6.6530 6.6530 7.0165 7.0165 7.6749 7.6749 12.3686 12.3686 12.5657 12.5657 13.5051 13.5051 14.9484 14.9484 15.4705 15.4705 k = 0.2073-0.3353-0.6480 ( 4089 PWs) bands (ev): -53.0074 -53.0074 -33.9337 -33.9337 -27.5200 -27.5200 -26.7600 -26.7600 -26.5559 -26.5559 -7.6679 -7.6679 -7.4242 -7.4242 5.2365 5.2365 5.2648 5.2648 5.6303 5.6303 6.6353 6.6353 6.9825 6.9825 7.6211 7.6211 12.3740 12.3740 12.5826 12.5826 13.5133 13.5133 14.9536 14.9536 15.5021 15.5021 k = 0.2118-0.3426-0.6621 ( 4087 PWs) bands (ev): -53.0059 -53.0059 -33.9330 -33.9330 -27.5243 -27.5243 -26.7657 -26.7657 -26.5561 -26.5561 -7.6399 -7.6399 -7.4241 -7.4241 5.2190 5.2190 5.2353 5.2353 5.6742 5.6742 6.6172 6.6172 6.9510 6.9510 7.5671 7.5671 12.3800 12.3800 12.5994 12.5994 13.5190 13.5190 14.9598 14.9598 15.5316 15.5316 k = 0.2164-0.3499-0.6761 ( 4091 PWs) bands (ev): -53.0045 -53.0045 -33.9324 -33.9324 -27.5284 -27.5284 -26.7712 -26.7712 -26.5563 -26.5563 -7.6129 -7.6129 -7.4238 -7.4238 5.1778 5.1778 5.2326 5.2326 5.7163 5.7163 6.5986 6.5986 6.9224 6.9224 7.5129 7.5129 12.3868 12.3868 12.6162 12.6162 13.5223 13.5223 14.9669 14.9669 15.5588 15.5588 k = 0.2209-0.3572-0.6902 ( 4093 PWs) bands (ev): -53.0032 -53.0032 -33.9318 -33.9318 -27.5324 -27.5324 -26.7765 -26.7765 -26.5565 -26.5565 -7.5869 -7.5869 -7.4233 -7.4233 5.1393 5.1393 5.2305 5.2305 5.7565 5.7565 6.5800 6.5800 6.8966 6.8966 7.4588 7.4588 12.3944 12.3944 12.6329 12.6329 13.5232 13.5232 14.9749 14.9749 15.5835 15.5835 k = 0.2254-0.3645-0.7043 ( 4087 PWs) bands (ev): -53.0018 -53.0018 -33.9311 -33.9311 -27.5361 -27.5361 -26.7817 -26.7817 -26.5567 -26.5567 -7.5619 -7.5619 -7.4225 -7.4225 5.1039 5.1039 5.2284 5.2284 5.7941 5.7941 6.5616 6.5616 6.8739 6.8739 7.4048 7.4048 12.4027 12.4027 12.6496 12.6496 13.5215 13.5215 14.9838 14.9838 15.6054 15.6054 k = 0.2299-0.3718-0.7184 ( 4085 PWs) bands (ev): -53.0006 -53.0006 -33.9306 -33.9306 -27.5396 -27.5396 -26.7868 -26.7868 -26.5570 -26.5570 -7.5380 -7.5380 -7.4215 -7.4215 5.0718 5.0718 5.2262 5.2262 5.8286 5.8286 6.5439 6.5439 6.8544 6.8544 7.3510 7.3510 12.4118 12.4118 12.6662 12.6662 13.5173 13.5173 14.9935 14.9935 15.6246 15.6246 k = 0.2344-0.3791-0.7325 ( 4083 PWs) bands (ev): -52.9994 -52.9994 -33.9300 -33.9300 -27.5430 -27.5430 -26.7917 -26.7917 -26.5572 -26.5572 -7.5153 -7.5153 -7.4202 -7.4202 5.0431 5.0431 5.2238 5.2238 5.8593 5.8593 6.5275 6.5275 6.8381 6.8381 7.2975 7.2975 12.4218 12.4218 12.6827 12.6827 13.5107 13.5107 15.0038 15.0038 15.6408 15.6408 k = 0.2389-0.3864-0.7466 ( 4081 PWs) bands (ev): -52.9982 -52.9982 -33.9295 -33.9295 -27.5461 -27.5461 -26.7965 -26.7965 -26.5574 -26.5574 -7.4938 -7.4938 -7.4186 -7.4186 5.0179 5.0179 5.2210 5.2210 5.8855 5.8855 6.5131 6.5131 6.8252 6.8252 7.2445 7.2445 12.4325 12.4325 12.6991 12.6991 13.5016 13.5016 15.0148 15.0148 15.6540 15.6540 k = 0.2434-0.3937-0.7607 ( 4075 PWs) bands (ev): -52.9971 -52.9971 -33.9289 -33.9289 -27.5490 -27.5490 -26.8010 -26.8010 -26.5577 -26.5577 -7.4735 -7.4735 -7.4168 -7.4168 4.9963 4.9963 5.2178 5.2178 5.9063 5.9063 6.5015 6.5015 6.8156 6.8156 7.1920 7.1920 12.4439 12.4439 12.7154 12.7154 13.4902 13.4902 15.0264 15.0264 15.6641 15.6641 k = 0.2479-0.4009-0.7747 ( 4075 PWs) bands (ev): -52.9960 -52.9960 -33.9285 -33.9285 -27.5517 -27.5517 -26.8055 -26.8055 -26.5579 -26.5579 -7.4547 -7.4547 -7.4146 -7.4146 4.9782 4.9782 5.2142 5.2142 5.9209 5.9209 6.4935 6.4935 6.8094 6.8094 7.1402 7.1402 12.4562 12.4562 12.7315 12.7315 13.4763 13.4763 15.0385 15.0385 15.6710 15.6710 k = 0.2524-0.4082-0.7888 ( 4075 PWs) bands (ev): -52.9950 -52.9950 -33.9280 -33.9280 -27.5541 -27.5541 -26.8097 -26.8097 -26.5582 -26.5582 -7.4374 -7.4374 -7.4118 -7.4118 4.9638 4.9638 5.2100 5.2100 5.9285 5.9285 6.4897 6.4897 6.8064 6.8064 7.0894 7.0894 12.4692 12.4692 12.7475 12.7475 13.4602 13.4602 15.0511 15.0511 15.6749 15.6749 k = 0.2569-0.4155-0.8029 ( 4075 PWs) bands (ev): -52.9941 -52.9941 -33.9276 -33.9276 -27.5564 -27.5564 -26.8138 -26.8138 -26.5584 -26.5584 -7.4225 -7.4225 -7.4077 -7.4077 4.9530 4.9530 5.2053 5.2053 5.9289 5.9289 6.4906 6.4906 6.8063 6.8063 7.0397 7.0397 12.4829 12.4829 12.7633 12.7633 13.4418 13.4418 15.0642 15.0642 15.6756 15.6756 k = 0.2614-0.4228-0.8170 ( 4075 PWs) bands (ev): -52.9932 -52.9932 -33.9272 -33.9272 -27.5584 -27.5584 -26.8176 -26.8176 -26.5587 -26.5587 -7.4125 -7.4125 -7.3998 -7.3998 4.9458 4.9458 5.2001 5.2001 5.9220 5.9220 6.4960 6.4960 6.8086 6.8086 6.9917 6.9917 12.4974 12.4974 12.7790 12.7790 13.4213 13.4213 15.0777 15.0777 15.6733 15.6733 k = 0.2659-0.4301-0.8311 ( 4071 PWs) bands (ev): -52.9924 -52.9924 -33.9268 -33.9268 -27.5603 -27.5603 -26.8213 -26.8213 -26.5590 -26.5590 -7.4074 -7.4074 -7.3881 -7.3881 4.9423 4.9423 5.1944 5.1944 5.9082 5.9082 6.5057 6.5057 6.8120 6.8120 6.9468 6.9468 12.5125 12.5125 12.7944 12.7944 13.3987 13.3987 15.0916 15.0916 15.6680 15.6680 k = 0.2704-0.4374-0.8452 ( 4079 PWs) bands (ev): -52.9916 -52.9916 -33.9264 -33.9264 -27.5619 -27.5619 -26.8248 -26.8248 -26.5593 -26.5593 -7.4035 -7.4035 -7.3763 -7.3763 4.9424 4.9424 5.1883 5.1883 5.8884 5.8884 6.5189 6.5189 6.8124 6.8124 6.9090 6.9090 12.5283 12.5283 12.8096 12.8096 13.3741 13.3741 15.1059 15.1059 15.6598 15.6598 k = 0.2749-0.4447-0.8593 ( 4077 PWs) bands (ev): -52.9909 -52.9909 -33.9261 -33.9261 -27.5633 -27.5633 -26.8280 -26.8280 -26.5596 -26.5596 -7.3999 -7.3999 -7.3655 -7.3655 4.9461 4.9461 5.1819 5.1819 5.8633 5.8633 6.5347 6.5347 6.7997 6.7997 6.8881 6.8881 12.5448 12.5448 12.8245 12.8245 13.3477 13.3477 15.1206 15.1206 15.6489 15.6489 k = 0.2795-0.4520-0.8733 ( 4077 PWs) bands (ev): -52.9902 -52.9902 -33.9258 -33.9258 -27.5646 -27.5646 -26.8311 -26.8311 -26.5599 -26.5599 -7.3961 -7.3961 -7.3559 -7.3559 4.9532 4.9532 5.1753 5.1753 5.8339 5.8339 6.5524 6.5524 6.7690 6.7690 6.8891 6.8891 12.5617 12.5617 12.8392 12.8392 13.3194 13.3194 15.1357 15.1357 15.6355 15.6355 k = 0.2840-0.4593-0.8874 ( 4071 PWs) bands (ev): -52.9897 -52.9897 -33.9255 -33.9255 -27.5657 -27.5657 -26.8339 -26.8339 -26.5601 -26.5601 -7.3922 -7.3922 -7.3476 -7.3476 4.9637 4.9637 5.1686 5.1686 5.8010 5.8010 6.5713 6.5713 6.7298 6.7298 6.9023 6.9023 12.5792 12.5792 12.8536 12.8536 13.2895 13.2895 15.1511 15.1511 15.6197 15.6197 k = 0.2885-0.4666-0.9015 ( 4071 PWs) bands (ev): -52.9891 -52.9891 -33.9253 -33.9253 -27.5666 -27.5666 -26.8365 -26.8365 -26.5604 -26.5604 -7.3882 -7.3882 -7.3405 -7.3405 4.9774 4.9774 5.1618 5.1618 5.7655 5.7655 6.5907 6.5907 6.6881 6.6881 6.9214 6.9214 12.5970 12.5970 12.8677 12.8677 13.2582 13.2582 15.1669 15.1669 15.6016 15.6016 k = 0.2930-0.4738-0.9156 ( 4069 PWs) bands (ev): -52.9886 -52.9886 -33.9251 -33.9251 -27.5673 -27.5673 -26.8388 -26.8388 -26.5607 -26.5607 -7.3839 -7.3839 -7.3348 -7.3348 4.9941 4.9941 5.1550 5.1550 5.7280 5.7280 6.6101 6.6101 6.6463 6.6463 6.9442 6.9442 12.6151 12.6151 12.8815 12.8815 13.2256 13.2256 15.1831 15.1831 15.5817 15.5817 k = 0.2975-0.4811-0.9297 ( 4073 PWs) bands (ev): -52.9882 -52.9882 -33.9249 -33.9249 -27.5680 -27.5680 -26.8410 -26.8410 -26.5610 -26.5610 -7.3796 -7.3796 -7.3304 -7.3304 5.0134 5.0134 5.1485 5.1485 5.6893 5.6893 6.6042 6.6042 6.6298 6.6298 6.9697 6.9697 12.6332 12.6332 12.8949 12.8949 13.1920 13.1920 15.1997 15.1997 15.5600 15.5600 k = 0.3020-0.4884-0.9438 ( 4077 PWs) bands (ev): -52.9878 -52.9878 -33.9247 -33.9247 -27.5685 -27.5685 -26.8428 -26.8428 -26.5612 -26.5612 -7.3751 -7.3751 -7.3272 -7.3272 5.0348 5.0348 5.1423 5.1423 5.6503 5.6503 6.5637 6.5637 6.6481 6.6481 6.9974 6.9974 12.6511 12.6511 12.9079 12.9079 13.1578 13.1578 15.2166 15.2166 15.5369 15.5369 k = 0.3065-0.4957-0.9579 ( 4079 PWs) bands (ev): -52.9875 -52.9875 -33.9246 -33.9246 -27.5688 -27.5688 -26.8444 -26.8444 -26.5614 -26.5614 -7.3704 -7.3704 -7.3253 -7.3253 5.0578 5.0578 5.1364 5.1364 5.6117 5.6117 6.5240 6.5240 6.6657 6.6657 7.0268 7.0268 12.6683 12.6683 12.9204 12.9204 13.1235 13.1235 15.2338 15.2338 15.5125 15.5125 k = 0.3110-0.5030-0.9719 ( 4079 PWs) bands (ev): -52.9873 -52.9873 -33.9244 -33.9244 -27.5691 -27.5691 -26.8458 -26.8458 -26.5616 -26.5616 -7.3656 -7.3656 -7.3245 -7.3245 5.0810 5.0810 5.1311 5.1311 5.5751 5.5751 6.4855 6.4855 6.6822 6.6822 7.0576 7.0576 12.6843 12.6843 12.9323 12.9323 13.0899 13.0899 15.2514 15.2514 15.4873 15.4873 k = 0.3155-0.5103-0.9860 ( 4075 PWs) bands (ev): -52.9871 -52.9871 -33.9243 -33.9243 -27.5693 -27.5693 -26.8469 -26.8469 -26.5618 -26.5618 -7.3608 -7.3608 -7.3249 -7.3249 5.1027 5.1027 5.1265 5.1265 5.5422 5.5422 6.4482 6.4482 6.6975 6.6975 7.0896 7.0896 12.6980 12.6980 12.9434 12.9434 13.0582 13.0582 15.2693 15.2693 15.4614 15.4614 k = 0.3200-0.5176-1.0001 ( 4071 PWs) bands (ev): -52.9869 -52.9869 -33.9243 -33.9243 -27.5695 -27.5695 -26.8478 -26.8478 -26.5620 -26.5620 -7.3560 -7.3560 -7.3262 -7.3262 5.1177 5.1177 5.1251 5.1251 5.5158 5.5158 6.4123 6.4123 6.7116 6.7116 7.1225 7.1225 12.7078 12.7078 12.9533 12.9533 13.0305 13.0305 15.2874 15.2874 15.4352 15.4352 k = 0.3245-0.5249-1.0142 ( 4067 PWs) bands (ev): -52.9868 -52.9868 -33.9242 -33.9242 -27.5695 -27.5695 -26.8484 -26.8484 -26.5621 -26.5621 -7.3513 -7.3513 -7.3284 -7.3284 5.1169 5.1169 5.1327 5.1327 5.4995 5.4995 6.3777 6.3777 6.7243 6.7243 7.1559 7.1559 12.7118 12.7118 12.9605 12.9605 13.0102 13.0102 15.3058 15.3058 15.4090 15.4090 k = 0.3290-0.5322-1.0283 ( 4057 PWs) bands (ev): -52.9867 -52.9867 -33.9242 -33.9242 -27.5696 -27.5696 -26.8487 -26.8487 -26.5622 -26.5622 -7.3472 -7.3472 -7.3310 -7.3310 5.1140 5.1140 5.1322 5.1322 5.4968 5.4968 6.3446 6.3446 6.7355 6.7355 7.1897 7.1897 12.7074 12.7074 12.9633 12.9633 13.0017 13.0017 15.3243 15.3243 15.3832 15.3832 k = 0.3335-0.5395-1.0424 ( 4054 PWs) bands (ev): -52.9867 -52.9867 -33.9241 -33.9241 -27.5696 -27.5696 -26.8489 -26.8489 -26.5622 -26.5622 -7.3453 -7.3453 -7.3322 -7.3322 5.1102 5.1102 5.1207 5.1207 5.5095 5.5095 6.3131 6.3131 6.7454 6.7454 7.2236 7.2236 12.6930 12.6930 12.9642 12.9642 13.0042 13.0042 15.3423 15.3423 15.3585 15.3585 k = 0.3380-0.5467-1.0565 ( 4058 PWs) bands (ev): -52.9867 -52.9867 -33.9242 -33.9242 -27.5696 -27.5696 -26.8487 -26.8487 -26.5622 -26.5622 -7.3476 -7.3476 -7.3301 -7.3301 5.0926 5.0926 5.1125 5.1125 5.5361 5.5361 6.2831 6.2831 6.7538 6.7538 7.2573 7.2573 12.6686 12.6686 12.9690 12.9690 13.0116 13.0116 15.3321 15.3321 15.3630 15.3630 k = 0.3426-0.5540-1.0706 ( 4064 PWs) bands (ev): -52.9868 -52.9868 -33.9242 -33.9242 -27.5696 -27.5696 -26.8484 -26.8484 -26.5621 -26.5621 -7.3530 -7.3530 -7.3258 -7.3258 5.0607 5.0607 5.1110 5.1110 5.5739 5.5739 6.2549 6.2549 6.7608 6.7608 7.2905 7.2905 12.6362 12.6362 12.9791 12.9791 13.0210 13.0210 15.3089 15.3089 15.3817 15.3817 k = 0.6574-0.4119-0.9841 ( 4064 PWs) bands (ev): -52.9868 -52.9868 -33.9242 -33.9242 -27.5696 -27.5696 -26.8484 -26.8484 -26.5621 -26.5621 -7.3530 -7.3530 -7.3258 -7.3258 5.0607 5.0607 5.1110 5.1110 5.5739 5.5739 6.2549 6.2549 6.7608 6.7608 7.2905 7.2905 12.6362 12.6362 12.9791 12.9791 13.0210 13.0210 15.3089 15.3089 15.3817 15.3817 k = 0.6529-0.3961-0.9841 ( 4066 PWs) bands (ev): -52.9869 -52.9869 -33.9242 -33.9242 -27.5696 -27.5696 -26.8478 -26.8478 -26.5619 -26.5619 -7.3598 -7.3598 -7.3208 -7.3208 5.0226 5.0226 5.1107 5.1107 5.6201 5.6201 6.2285 6.2285 6.7663 6.7663 7.3230 7.3230 12.5978 12.5978 12.9930 12.9930 13.0317 13.0317 15.2868 15.2868 15.4007 15.4007 k = 0.6484-0.3803-0.9841 ( 4072 PWs) bands (ev): -52.9870 -52.9870 -33.9243 -33.9243 -27.5696 -27.5696 -26.8470 -26.8470 -26.5617 -26.5617 -7.3676 -7.3676 -7.3155 -7.3155 4.9807 4.9807 5.1112 5.1112 5.6726 5.6726 6.2040 6.2040 6.7706 6.7706 7.3546 7.3546 12.5551 12.5551 13.0085 13.0085 13.0442 13.0442 15.2661 15.2661 15.4197 15.4197 k = 0.6440-0.3645-0.9841 ( 4066 PWs) bands (ev): -52.9872 -52.9872 -33.9244 -33.9244 -27.5696 -27.5696 -26.8460 -26.8460 -26.5615 -26.5615 -7.3762 -7.3762 -7.3101 -7.3101 4.9366 4.9366 5.1123 5.1123 5.7301 5.7301 6.1814 6.1814 6.7735 6.7735 7.3851 7.3851 12.5094 12.5094 13.0234 13.0234 13.0595 13.0595 15.2473 15.2473 15.4386 15.4386 k = 0.6395-0.3486-0.9841 ( 4068 PWs) bands (ev): -52.9874 -52.9874 -33.9245 -33.9245 -27.5697 -27.5697 -26.8448 -26.8448 -26.5611 -26.5611 -7.3855 -7.3855 -7.3047 -7.3047 4.8911 4.8911 5.1140 5.1140 5.7917 5.7917 6.1608 6.1608 6.7752 6.7752 7.4142 7.4142 12.4613 12.4613 13.0363 13.0363 13.0784 13.0784 15.2304 15.2304 15.4574 15.4574 k = 0.6350-0.3328-0.9841 ( 4074 PWs) bands (ev): -52.9876 -52.9876 -33.9246 -33.9246 -27.5698 -27.5698 -26.8435 -26.8435 -26.5607 -26.5607 -7.3953 -7.3953 -7.2992 -7.2992 4.8449 4.8449 5.1161 5.1161 5.8566 5.8566 6.1424 6.1424 6.7757 6.7757 7.4417 7.4417 12.4115 12.4115 13.0472 13.0472 13.1003 13.1003 15.2157 15.2157 15.4761 15.4761 k = 0.6305-0.3170-0.9841 ( 4080 PWs) bands (ev): -52.9879 -52.9879 -33.9247 -33.9247 -27.5700 -27.5700 -26.8420 -26.8420 -26.5602 -26.5602 -7.4057 -7.4057 -7.2938 -7.2938 4.7983 4.7983 5.1187 5.1187 5.9243 5.9243 6.1263 6.1263 6.7751 6.7751 7.4674 7.4674 12.3604 12.3604 13.0569 13.0569 13.1241 13.1241 15.2033 15.2033 15.4945 15.4945 k = 0.6260-0.3011-0.9841 ( 4082 PWs) bands (ev): -52.9882 -52.9882 -33.9248 -33.9248 -27.5702 -27.5702 -26.8403 -26.8403 -26.5596 -26.5596 -7.4164 -7.4164 -7.2883 -7.2883 4.7518 4.7518 5.1215 5.1215 5.9945 5.9945 6.1124 6.1124 6.7734 6.7734 7.4911 7.4911 12.3081 12.3081 13.0659 13.0659 13.1491 13.1491 15.1933 15.1933 15.5127 15.5127 k = 0.6215-0.2853-0.9841 ( 4078 PWs) bands (ev): -52.9885 -52.9885 -33.9250 -33.9250 -27.5705 -27.5705 -26.8385 -26.8385 -26.5589 -26.5589 -7.4276 -7.4276 -7.2830 -7.2830 4.7056 4.7056 5.1246 5.1246 6.0669 6.0669 6.1011 6.1011 6.7709 6.7709 7.5126 7.5126 12.2550 12.2550 13.0747 13.0747 13.1747 13.1747 15.1859 15.1859 15.5305 15.5305 k = 0.6170-0.2695-0.9841 ( 4076 PWs) bands (ev): -52.9888 -52.9888 -33.9251 -33.9251 -27.5708 -27.5708 -26.8367 -26.8367 -26.5581 -26.5581 -7.4390 -7.4390 -7.2777 -7.2777 4.6599 4.6599 5.1277 5.1277 6.0922 6.0922 6.1410 6.1410 6.7674 6.7674 7.5318 7.5318 12.2012 12.2012 13.0833 13.0833 13.2007 13.2007 15.1810 15.1810 15.5479 15.5479 k = 0.6125-0.2537-0.9841 ( 4074 PWs) bands (ev): -52.9891 -52.9891 -33.9252 -33.9252 -27.5711 -27.5711 -26.8347 -26.8347 -26.5573 -26.5573 -7.4506 -7.4506 -7.2725 -7.2725 4.6149 4.6149 5.1308 5.1308 6.0859 6.0859 6.2167 6.2167 6.7632 6.7632 7.5486 7.5486 12.1468 12.1468 13.0920 13.0920 13.2268 13.2268 15.1788 15.1788 15.5649 15.5649 k = 0.6080-0.2378-0.9841 ( 4070 PWs) bands (ev): -52.9895 -52.9895 -33.9254 -33.9254 -27.5715 -27.5715 -26.8327 -26.8327 -26.5563 -26.5563 -7.4624 -7.4624 -7.2674 -7.2674 4.5707 4.5707 5.1337 5.1337 6.0823 6.0823 6.2936 6.2936 6.7583 6.7583 7.5627 7.5627 12.0920 12.0920 13.1009 13.1009 13.2528 13.2528 15.1792 15.1792 15.5814 15.5814 k = 0.6035-0.2220-0.9841 ( 4078 PWs) bands (ev): -52.9898 -52.9898 -33.9256 -33.9256 -27.5720 -27.5720 -26.8306 -26.8306 -26.5553 -26.5553 -7.4743 -7.4743 -7.2624 -7.2624 4.5274 4.5274 5.1364 5.1364 6.0815 6.0815 6.3714 6.3714 6.7529 6.7529 7.5741 7.5741 12.0368 12.0368 13.1101 13.1101 13.2787 13.2787 15.1822 15.1822 15.5974 15.5974 k = 0.5990-0.2062-0.9841 ( 4084 PWs) bands (ev): -52.9902 -52.9902 -33.9257 -33.9257 -27.5725 -27.5725 -26.8286 -26.8286 -26.5542 -26.5542 -7.4861 -7.4861 -7.2575 -7.2575 4.4853 4.4853 5.1388 5.1388 6.0834 6.0834 6.4499 6.4499 6.7469 6.7469 7.5827 7.5827 11.9815 11.9815 13.1196 13.1196 13.3042 13.3042 15.1879 15.1879 15.6128 15.6128 k = 0.5945-0.1903-0.9841 ( 4078 PWs) bands (ev): -52.9905 -52.9905 -33.9259 -33.9259 -27.5730 -27.5730 -26.8265 -26.8265 -26.5530 -26.5530 -7.4980 -7.4980 -7.2528 -7.2528 4.4443 4.4443 5.1408 5.1408 6.0880 6.0880 6.5288 6.5288 6.7407 6.7407 7.5884 7.5884 11.9261 11.9261 13.1296 13.1296 13.3292 13.3292 15.1961 15.1961 15.6276 15.6276 k = 0.5900-0.1745-0.9841 ( 4076 PWs) bands (ev): -52.9909 -52.9909 -33.9261 -33.9261 -27.5736 -27.5736 -26.8244 -26.8244 -26.5518 -26.5518 -7.5097 -7.5097 -7.2482 -7.2482 4.4046 4.4046 5.1424 5.1424 6.0954 6.0954 6.6076 6.6076 6.7343 6.7343 7.5913 7.5913 11.8707 11.8707 13.1400 13.1400 13.3537 13.3537 15.2067 15.2067 15.6418 15.6418 k = 0.5855-0.1587-0.9841 ( 4074 PWs) bands (ev): -52.9913 -52.9913 -33.9262 -33.9262 -27.5742 -27.5742 -26.8223 -26.8223 -26.5505 -26.5505 -7.5213 -7.5213 -7.2438 -7.2438 4.3663 4.3663 5.1436 5.1436 6.1054 6.1054 6.6844 6.6844 6.7296 6.7296 7.5914 7.5914 11.8156 11.8156 13.1508 13.1508 13.3776 13.3776 15.2198 15.2198 15.6553 15.6553 k = 0.5810-0.1428-0.9841 ( 4078 PWs) bands (ev): -52.9916 -52.9916 -33.9264 -33.9264 -27.5748 -27.5748 -26.8203 -26.8203 -26.5491 -26.5491 -7.5326 -7.5326 -7.2395 -7.2395 4.3295 4.3295 5.1442 5.1442 6.1180 6.1180 6.7160 6.7160 6.7693 6.7693 7.5886 7.5886 11.7607 11.7607 13.1621 13.1621 13.4007 13.4007 15.2350 15.2350 15.6681 15.6681 k = 0.5765-0.1270-0.9841 ( 4082 PWs) bands (ev): -52.9920 -52.9920 -33.9266 -33.9266 -27.5754 -27.5754 -26.8184 -26.8184 -26.5477 -26.5477 -7.5436 -7.5436 -7.2355 -7.2355 4.2942 4.2942 5.1444 5.1444 6.1330 6.1330 6.7105 6.7105 6.8454 6.8454 7.5832 7.5832 11.7064 11.7064 13.1738 13.1738 13.4230 13.4230 15.2523 15.2523 15.6802 15.6802 k = 0.5720-0.1112-0.9841 ( 4086 PWs) bands (ev): -52.9923 -52.9923 -33.9267 -33.9267 -27.5760 -27.5760 -26.8165 -26.8165 -26.5463 -26.5463 -7.5544 -7.5544 -7.2316 -7.2316 4.2606 4.2606 5.1441 5.1441 6.1502 6.1502 6.7036 6.7036 6.9217 6.9217 7.5751 7.5751 11.6528 11.6528 13.1859 13.1859 13.4445 13.4445 15.2715 15.2715 15.6916 15.6916 k = 0.5675-0.0954-0.9841 ( 4086 PWs) bands (ev): -52.9927 -52.9927 -33.9269 -33.9269 -27.5767 -27.5767 -26.8147 -26.8147 -26.5449 -26.5449 -7.5647 -7.5647 -7.2279 -7.2279 4.2286 4.2286 5.1435 5.1435 6.1696 6.1696 6.6965 6.6965 6.9968 6.9968 7.5646 7.5646 11.6001 11.6001 13.1982 13.1982 13.4649 13.4649 15.2923 15.2923 15.7023 15.7023 k = 0.5630-0.0795-0.9841 ( 4086 PWs) bands (ev): -52.9930 -52.9930 -33.9270 -33.9270 -27.5773 -27.5773 -26.8130 -26.8130 -26.5434 -26.5434 -7.5746 -7.5746 -7.2244 -7.2244 4.1984 4.1984 5.1424 5.1424 6.1907 6.1907 6.6894 6.6894 7.0702 7.0702 7.5518 7.5518 11.5486 11.5486 13.2107 13.2107 13.4844 13.4844 15.3147 15.3147 15.7122 15.7122 k = 0.5585-0.0637-0.9841 ( 4082 PWs) bands (ev): -52.9933 -52.9933 -33.9272 -33.9272 -27.5779 -27.5779 -26.8113 -26.8113 -26.5420 -26.5420 -7.5841 -7.5841 -7.2211 -7.2211 4.1700 4.1700 5.1411 5.1411 6.2135 6.2135 6.6826 6.6826 7.1413 7.1413 7.5370 7.5370 11.4984 11.4984 13.2233 13.2233 13.5028 13.5028 15.3382 15.3382 15.7214 15.7214 k = 0.5540-0.0479-0.9841 ( 4080 PWs) bands (ev): -52.9936 -52.9936 -33.9273 -33.9273 -27.5785 -27.5785 -26.8098 -26.8098 -26.5406 -26.5406 -7.5930 -7.5930 -7.2181 -7.2181 4.1435 4.1435 5.1396 5.1396 6.2374 6.2374 6.6759 6.6759 7.2097 7.2097 7.5204 7.5204 11.4499 11.4499 13.2358 13.2358 13.5200 13.5200 15.3626 15.3626 15.7298 15.7298 k = 0.5495-0.0320-0.9841 ( 4080 PWs) bands (ev): -52.9939 -52.9939 -33.9274 -33.9274 -27.5791 -27.5791 -26.8084 -26.8084 -26.5393 -26.5393 -7.6013 -7.6013 -7.2152 -7.2152 4.1189 4.1189 5.1379 5.1379 6.2623 6.2623 6.6696 6.6696 7.2749 7.2749 7.5026 7.5026 11.4033 11.4033 13.2481 13.2481 13.5361 13.5361 15.3876 15.3876 15.7376 15.7376 k = 0.5450-0.0162-0.9841 ( 4080 PWs) bands (ev): -52.9942 -52.9942 -33.9276 -33.9276 -27.5797 -27.5797 -26.8071 -26.8071 -26.5380 -26.5380 -7.6091 -7.6091 -7.2126 -7.2126 4.0963 4.0963 5.1361 5.1361 6.2878 6.2878 6.6636 6.6636 7.3362 7.3362 7.4840 7.4840 11.3591 11.3591 13.2600 13.2600 13.5509 13.5509 15.4128 15.4128 15.7446 15.7446 k = 0.5405-0.0004-0.9841 ( 4080 PWs) bands (ev): -52.9944 -52.9944 -33.9277 -33.9277 -27.5802 -27.5802 -26.8059 -26.8059 -26.5367 -26.5367 -7.6162 -7.6162 -7.2103 -7.2103 4.0757 4.0757 5.1343 5.1343 6.3134 6.3134 6.6581 6.6581 7.3920 7.3920 7.4664 7.4664 11.3174 11.3174 13.2714 13.2714 13.5644 13.5644 15.4377 15.4377 15.7509 15.7509 k = 0.5360 0.0155-0.9841 ( 4084 PWs) bands (ev): -52.9947 -52.9947 -33.9278 -33.9278 -27.5807 -27.5807 -26.8049 -26.8049 -26.5356 -26.5356 -7.6226 -7.6226 -7.2081 -7.2081 4.0572 4.0572 5.1325 5.1325 6.3386 6.3386 6.6530 6.6530 7.4274 7.4274 7.4644 7.4644 11.2788 11.2788 13.2820 13.2820 13.5766 13.5766 15.4620 15.4620 15.7565 15.7565 k = 0.5315 0.0313-0.9841 ( 4088 PWs) bands (ev): -52.9949 -52.9949 -33.9279 -33.9279 -27.5811 -27.5811 -26.8039 -26.8039 -26.5345 -26.5345 -7.6284 -7.6284 -7.2062 -7.2062 4.0408 4.0408 5.1307 5.1307 6.3629 6.3629 6.6484 6.6484 7.4174 7.4174 7.5031 7.5031 11.2435 11.2435 13.2919 13.2919 13.5875 13.5875 15.4851 15.4851 15.7614 15.7614 k = 0.5270 0.0471-0.9841 ( 4088 PWs) bands (ev): -52.9950 -52.9950 -33.9280 -33.9280 -27.5815 -27.5815 -26.8031 -26.8031 -26.5336 -26.5336 -7.6335 -7.6335 -7.2046 -7.2046 4.0265 4.0265 5.1291 5.1291 6.3859 6.3859 6.6444 6.6444 7.3999 7.3999 7.5448 7.5448 11.2120 11.2120 13.3007 13.3007 13.5969 13.5969 15.5066 15.5066 15.7656 15.7656 k = 0.5225 0.0629-0.9841 ( 4088 PWs) bands (ev): -52.9952 -52.9952 -33.9280 -33.9280 -27.5819 -27.5819 -26.8024 -26.8024 -26.5328 -26.5328 -7.6378 -7.6378 -7.2032 -7.2032 4.0143 4.0143 5.1277 5.1277 6.4068 6.4068 6.6409 6.6409 7.3827 7.3827 7.5819 7.5819 11.1845 11.1845 13.3085 13.3085 13.6050 13.6050 15.5259 15.5259 15.7691 15.7691 k = 0.5180 0.0788-0.9841 ( 4086 PWs) bands (ev): -52.9953 -52.9953 -33.9281 -33.9281 -27.5821 -27.5821 -26.8019 -26.8019 -26.5321 -26.5321 -7.6413 -7.6413 -7.2021 -7.2021 4.0044 4.0044 5.1265 5.1265 6.4251 6.4251 6.6380 6.6380 7.3672 7.3672 7.6130 7.6130 11.1615 11.1615 13.3150 13.3150 13.6116 13.6116 15.5426 15.5426 15.7720 15.7720 k = 0.5135 0.0946-0.9841 ( 4082 PWs) bands (ev): -52.9954 -52.9954 -33.9281 -33.9281 -27.5824 -27.5824 -26.8014 -26.8014 -26.5316 -26.5316 -7.6441 -7.6441 -7.2012 -7.2012 3.9966 3.9966 5.1255 5.1255 6.4401 6.4401 6.6358 6.6358 7.3543 7.3543 7.6377 7.6377 11.1433 11.1433 13.3202 13.3202 13.6168 13.6168 15.5561 15.5561 15.7742 15.7742 k = 0.5090 0.1104-0.9841 ( 4076 PWs) bands (ev): -52.9955 -52.9955 -33.9281 -33.9281 -27.5825 -27.5825 -26.8011 -26.8011 -26.5312 -26.5312 -7.6461 -7.6461 -7.2005 -7.2005 3.9910 3.9910 5.1248 5.1248 6.4513 6.4513 6.6342 6.6342 7.3446 7.3446 7.6556 7.6556 11.1301 11.1301 13.3239 13.3239 13.6205 13.6205 15.5661 15.5661 15.7758 15.7758 k = 0.5045 0.1263-0.9841 ( 4076 PWs) bands (ev): -52.9955 -52.9955 -33.9282 -33.9282 -27.5826 -27.5826 -26.8009 -26.8009 -26.5310 -26.5310 -7.6473 -7.6473 -7.2001 -7.2001 3.9877 3.9877 5.1244 5.1244 6.4583 6.4583 6.6332 6.6332 7.3385 7.3385 7.6664 7.6664 11.1221 11.1221 13.3262 13.3262 13.6227 13.6227 15.5722 15.5722 15.7768 15.7768 k = 0.5000 0.1421-0.9841 ( 4084 PWs) bands (ev): -52.9955 -52.9955 -33.9282 -33.9282 -27.5826 -27.5826 -26.8009 -26.8009 -26.5309 -26.5309 -7.6477 -7.6477 -7.2000 -7.2000 3.9866 3.9866 5.1242 5.1242 6.4606 6.4606 6.6329 6.6329 7.3365 7.3365 7.6700 7.6700 11.1194 11.1194 13.3269 13.3269 13.6235 13.6235 15.5742 15.5742 15.7771 15.7771 k = 0.5000 0.1421-0.9841 ( 4084 PWs) bands (ev): -52.9955 -52.9955 -33.9282 -33.9282 -27.5826 -27.5826 -26.8009 -26.8009 -26.5309 -26.5309 -7.6477 -7.6477 -7.2000 -7.2000 3.9866 3.9866 5.1242 5.1242 6.4606 6.4606 6.6329 6.6329 7.3365 7.3365 7.6700 7.6700 11.1194 11.1194 13.3269 13.3269 13.6235 13.6235 15.5742 15.5742 15.7771 15.7771 k = 0.5131 0.1458-0.9769 ( 4083 PWs) bands (ev): -52.9955 -52.9955 -33.9282 -33.9282 -27.5826 -27.5826 -26.8009 -26.8009 -26.5309 -26.5309 -7.6480 -7.6480 -7.1998 -7.1998 3.9868 3.9868 5.1242 5.1242 6.4603 6.4603 6.6323 6.6323 7.3367 7.3367 7.6704 7.6704 11.1199 11.1199 13.3269 13.3269 13.6233 13.6233 15.5739 15.5739 15.7749 15.7749 k = 0.5262 0.1495-0.9697 ( 4076 PWs) bands (ev): -52.9955 -52.9955 -33.9282 -33.9282 -27.5826 -27.5826 -26.8008 -26.8008 -26.5309 -26.5309 -7.6488 -7.6488 -7.1991 -7.1991 3.9876 3.9876 5.1240 5.1240 6.4595 6.4595 6.6307 6.6307 7.3372 7.3372 7.6716 7.6716 11.1214 11.1214 13.3268 13.3268 13.6227 13.6227 15.5731 15.5731 15.7684 15.7684 k = 0.5394 0.1533-0.9625 ( 4079 PWs) bands (ev): -52.9956 -52.9956 -33.9282 -33.9282 -27.5825 -27.5825 -26.8008 -26.8008 -26.5309 -26.5309 -7.6501 -7.6501 -7.1981 -7.1981 3.9890 3.9890 5.1238 5.1238 6.4582 6.4582 6.6280 6.6280 7.3380 7.3380 7.6736 7.6736 11.1240 11.1240 13.3265 13.3265 13.6218 13.6218 15.5716 15.5716 15.7578 15.7578 k = 0.5525 0.1570-0.9553 ( 4080 PWs) bands (ev): -52.9956 -52.9956 -33.9282 -33.9282 -27.5824 -27.5824 -26.8007 -26.8007 -26.5309 -26.5309 -7.6520 -7.6520 -7.1966 -7.1966 3.9909 3.9909 5.1236 5.1236 6.4563 6.4563 6.6243 6.6243 7.3392 7.3392 7.6764 7.6764 11.1276 11.1276 13.3262 13.3262 13.6205 13.6205 15.5696 15.5696 15.7434 15.7434 k = 0.5656 0.1607-0.9481 ( 4084 PWs) bands (ev): -52.9956 -52.9956 -33.9282 -33.9282 -27.5822 -27.5822 -26.8006 -26.8006 -26.5309 -26.5309 -7.6543 -7.6543 -7.1947 -7.1947 3.9933 3.9933 5.1233 5.1233 6.4540 6.4540 6.6195 6.6195 7.3407 7.3407 7.6798 7.6798 11.1322 11.1322 13.3258 13.3258 13.6189 13.6189 15.5670 15.5670 15.7255 15.7255 k = 0.5787 0.1645-0.9409 ( 4089 PWs) bands (ev): -52.9957 -52.9957 -33.9283 -33.9283 -27.5821 -27.5821 -26.8004 -26.8004 -26.5310 -26.5310 -7.6571 -7.6571 -7.1926 -7.1926 3.9962 3.9962 5.1230 5.1230 6.4511 6.4511 6.6136 6.6136 7.3424 7.3424 7.6840 7.6840 11.1377 11.1377 13.3253 13.3253 13.6169 13.6169 15.5638 15.5638 15.7046 15.7046 k = 0.5918 0.1682-0.9337 ( 4096 PWs) bands (ev): -52.9957 -52.9957 -33.9283 -33.9283 -27.5819 -27.5819 -26.8003 -26.8003 -26.5310 -26.5310 -7.6604 -7.6604 -7.1901 -7.1901 3.9997 3.9997 5.1227 5.1227 6.4479 6.4479 6.6066 6.6066 7.3444 7.3444 7.6889 7.6889 11.1442 11.1442 13.3248 13.3248 13.6147 13.6147 15.5601 15.5601 15.6813 15.6813 k = 0.6050 0.1719-0.9265 ( 4097 PWs) bands (ev): -52.9958 -52.9958 -33.9283 -33.9283 -27.5816 -27.5816 -26.8001 -26.8001 -26.5310 -26.5310 -7.6639 -7.6639 -7.1874 -7.1874 4.0038 4.0038 5.1225 5.1225 6.4442 6.4442 6.5986 6.5986 7.3466 7.3466 7.6944 7.6944 11.1515 11.1515 13.3241 13.3241 13.6123 13.6123 15.5559 15.5559 15.6559 15.6559 k = 0.6181 0.1756-0.9193 ( 4097 PWs) bands (ev): -52.9958 -52.9958 -33.9283 -33.9283 -27.5814 -27.5814 -26.7999 -26.7999 -26.5310 -26.5310 -7.6678 -7.6678 -7.1845 -7.1845 4.0083 4.0083 5.1224 5.1224 6.4402 6.4402 6.5896 6.5896 7.3490 7.3490 7.7005 7.7005 11.1597 11.1597 13.3234 13.3234 13.6097 13.6097 15.5512 15.5512 15.6290 15.6290 k = 0.6312 0.1794-0.9121 ( 4100 PWs) bands (ev): -52.9959 -52.9959 -33.9284 -33.9284 -27.5811 -27.5811 -26.7997 -26.7997 -26.5311 -26.5311 -7.6720 -7.6720 -7.1814 -7.1814 4.0134 4.0134 5.1224 5.1224 6.4358 6.4358 6.5795 6.5795 7.3514 7.3514 7.7071 7.7071 11.1688 11.1688 13.3225 13.3225 13.6069 13.6069 15.5460 15.5460 15.6010 15.6010 k = 0.6443 0.1831-0.9048 ( 4103 PWs) bands (ev): -52.9960 -52.9960 -33.9284 -33.9284 -27.5807 -27.5807 -26.7994 -26.7994 -26.5311 -26.5311 -7.6765 -7.6765 -7.1782 -7.1782 4.0191 4.0191 5.1227 5.1227 6.4311 6.4311 6.5684 6.5684 7.3540 7.3540 7.7142 7.7142 11.1786 11.1786 13.3216 13.3216 13.6040 13.6040 15.5402 15.5402 15.5724 15.5724 k = 0.6574 0.1868-0.8976 ( 4103 PWs) bands (ev): -52.9961 -52.9961 -33.9285 -33.9285 -27.5804 -27.5804 -26.7992 -26.7992 -26.5312 -26.5312 -7.6811 -7.6811 -7.1750 -7.1750 4.0253 4.0253 5.1232 5.1232 6.4262 6.4262 6.5562 6.5562 7.3566 7.3566 7.7217 7.7217 11.1891 11.1891 13.3206 13.3206 13.6010 13.6010 15.5328 15.5328 15.5447 15.5447 k = 0.6574 0.1868-0.8976 ( 4103 PWs) bands (ev): -52.9961 -52.9961 -33.9285 -33.9285 -27.5804 -27.5804 -26.7992 -26.7992 -26.5312 -26.5312 -7.6811 -7.6811 -7.1750 -7.1750 4.0253 4.0253 5.1232 5.1232 6.4262 6.4262 6.5562 6.5562 7.3566 7.3566 7.7217 7.7217 11.1891 11.1891 13.3206 13.3206 13.6010 13.6010 15.5328 15.5328 15.5447 15.5447 k = 0.6549 0.1861-0.8815 ( 4097 PWs) bands (ev): -52.9964 -52.9964 -33.9286 -33.9286 -27.5789 -27.5789 -26.7981 -26.7981 -26.5314 -26.5314 -7.6823 -7.6823 -7.1806 -7.1806 4.0379 4.0379 5.1054 5.1054 6.4310 6.4310 6.5825 6.5825 7.3593 7.3593 7.7182 7.7182 11.1882 11.1882 13.3165 13.3165 13.5910 13.5910 15.5160 15.5160 15.5356 15.5356 k = 0.6523 0.1854-0.8654 ( 4097 PWs) bands (ev): -52.9968 -52.9968 -33.9288 -33.9288 -27.5772 -27.5772 -26.7968 -26.7968 -26.5316 -26.5316 -7.6836 -7.6836 -7.1877 -7.1877 4.0543 4.0543 5.0878 5.0878 6.4362 6.4362 6.6074 6.6074 7.3632 7.3632 7.7146 7.7146 11.1889 11.1889 13.3113 13.3113 13.5795 13.5795 15.4889 15.4889 15.5337 15.5337 k = 0.6497 0.1846-0.8492 ( 4095 PWs) bands (ev): -52.9973 -52.9973 -33.9291 -33.9291 -27.5751 -27.5751 -26.7952 -26.7952 -26.5319 -26.5319 -7.6849 -7.6849 -7.1965 -7.1965 4.0743 4.0743 5.0705 5.0705 6.4420 6.4420 6.6303 6.6303 7.3688 7.3688 7.7112 7.7112 11.1912 11.1912 13.3050 13.3050 13.5666 13.5666 15.4594 15.4594 15.5315 15.5315 k = 0.6471 0.1839-0.8331 ( 4086 PWs) bands (ev): -52.9979 -52.9979 -33.9293 -33.9293 -27.5727 -27.5727 -26.7934 -26.7934 -26.5322 -26.5322 -7.6864 -7.6864 -7.2068 -7.2068 4.0978 4.0978 5.0539 5.0539 6.4482 6.4482 6.6505 6.6505 7.3762 7.3762 7.7079 7.7079 11.1950 11.1950 13.2977 13.2977 13.5526 13.5526 15.4278 15.4278 15.5286 15.5286 k = 0.6445 0.1832-0.8170 ( 4080 PWs) bands (ev): -52.9986 -52.9986 -33.9296 -33.9296 -27.5700 -27.5700 -26.7913 -26.7913 -26.5326 -26.5326 -7.6880 -7.6880 -7.2186 -7.2186 4.1247 4.1247 5.0383 5.0383 6.4548 6.4548 6.6676 6.6676 7.3858 7.3858 7.7048 7.7048 11.2004 11.2004 13.2893 13.2893 13.5375 13.5375 15.3945 15.3945 15.5251 15.5251 k = 0.6420 0.1824-0.8008 ( 4076 PWs) bands (ev): -52.9993 -52.9993 -33.9300 -33.9300 -27.5669 -27.5669 -26.7889 -26.7889 -26.5330 -26.5330 -7.6897 -7.6897 -7.2319 -7.2319 4.1548 4.1548 5.0240 5.0240 6.4617 6.4617 6.6808 6.6808 7.3979 7.3979 7.7020 7.7020 11.2073 11.2073 13.2800 13.2800 13.5216 13.5216 15.3596 15.3596 15.5207 15.5207 k = 0.6394 0.1817-0.7847 ( 4077 PWs) bands (ev): -53.0001 -53.0001 -33.9303 -33.9303 -27.5636 -27.5636 -26.7863 -26.7863 -26.5335 -26.5335 -7.6916 -7.6916 -7.2464 -7.2464 4.1878 4.1878 5.0114 5.0114 6.4690 6.4690 6.6899 6.6899 7.4127 7.4127 7.6994 7.6994 11.2157 11.2157 13.2696 13.2696 13.5051 13.5051 15.3232 15.3232 15.5157 15.5157 k = 0.6368 0.1810-0.7686 ( 4073 PWs) bands (ev): -53.0010 -53.0010 -33.9307 -33.9307 -27.5600 -27.5600 -26.7834 -26.7834 -26.5339 -26.5339 -7.6938 -7.6938 -7.2622 -7.2622 4.2236 4.2236 5.0008 5.0008 6.4765 6.4765 6.6945 6.6945 7.4304 7.4304 7.6972 7.6972 11.2255 11.2255 13.2583 13.2583 13.4881 13.4881 15.2856 15.2856 15.5100 15.5100 k = 0.6342 0.1802-0.7524 ( 4073 PWs) bands (ev): -53.0019 -53.0019 -33.9312 -33.9312 -27.5561 -27.5561 -26.7803 -26.7803 -26.5345 -26.5345 -7.6963 -7.6963 -7.2791 -7.2791 4.2617 4.2617 4.9926 4.9926 6.4841 6.4841 6.6945 6.6945 7.4508 7.4508 7.6955 7.6955 11.2368 11.2368 13.2460 13.2460 13.4708 13.4708 15.2469 15.2469 15.5036 15.5036 k = 0.6316 0.1795-0.7363 ( 4071 PWs) bands (ev): -53.0030 -53.0030 -33.9317 -33.9317 -27.5520 -27.5520 -26.7769 -26.7769 -26.5350 -26.5350 -7.6991 -7.6991 -7.2970 -7.2970 4.3017 4.3017 4.9874 4.9874 6.4918 6.4918 6.6898 6.6898 7.4738 7.4738 7.6944 7.6944 11.2494 11.2494 13.2327 13.2327 13.4533 13.4533 15.2074 15.2074 15.4966 15.4966 k = 0.6291 0.1788-0.7202 ( 4073 PWs) bands (ev): -53.0041 -53.0041 -33.9322 -33.9322 -27.5477 -27.5477 -26.7733 -26.7733 -26.5356 -26.5356 -7.7024 -7.7024 -7.3157 -7.3157 4.3432 4.3432 4.9855 4.9855 6.4995 6.4995 6.6808 6.6808 7.4991 7.4991 7.6939 7.6939 11.2633 11.2633 13.2186 13.2186 13.4358 13.4358 15.1671 15.1671 15.4890 15.4890 k = 0.6265 0.1780-0.7041 ( 4074 PWs) bands (ev): -53.0052 -53.0052 -33.9327 -33.9327 -27.5431 -27.5431 -26.7695 -26.7695 -26.5362 -26.5362 -7.7064 -7.7064 -7.3351 -7.3351 4.3854 4.3854 4.9877 4.9877 6.5071 6.5071 6.6677 6.6677 7.5262 7.5262 7.6941 7.6941 11.2785 11.2785 13.2036 13.2036 13.4184 13.4184 15.1264 15.1264 15.4809 15.4809 k = 0.6239 0.1773-0.6879 ( 4071 PWs) bands (ev): -53.0064 -53.0064 -33.9333 -33.9333 -27.5384 -27.5384 -26.7654 -26.7654 -26.5368 -26.5368 -7.7111 -7.7111 -7.3548 -7.3548 4.4276 4.4276 4.9947 4.9947 6.5145 6.5145 6.6509 6.6509 7.5547 7.5547 7.6953 7.6953 11.2948 11.2948 13.1876 13.1876 13.4012 13.4012 15.0854 15.0854 15.4722 15.4722 k = 0.6213 0.1766-0.6718 ( 4076 PWs) bands (ev): -53.0077 -53.0077 -33.9339 -33.9339 -27.5334 -27.5334 -26.7610 -26.7610 -26.5374 -26.5374 -7.7166 -7.7166 -7.3747 -7.3747 4.4690 4.4690 5.0072 5.0072 6.5216 6.5216 6.6308 6.6308 7.5840 7.5840 7.6974 7.6974 11.3124 11.3124 13.1709 13.1709 13.3842 13.3842 15.0444 15.0444 15.4630 15.4630 k = 0.6187 0.1758-0.6557 ( 4080 PWs) bands (ev): -53.0090 -53.0090 -33.9345 -33.9345 -27.5283 -27.5283 -26.7565 -26.7565 -26.5380 -26.5380 -7.7233 -7.7233 -7.3946 -7.3946 4.5086 4.5086 5.0260 5.0260 6.5282 6.5282 6.6078 6.6078 7.6136 7.6136 7.7009 7.7009 11.3310 11.3310 13.1532 13.1532 13.3676 13.3676 15.0035 15.0035 15.4534 15.4534 k = 0.6161 0.1751-0.6395 ( 4086 PWs) bands (ev): -53.0104 -53.0104 -33.9351 -33.9351 -27.5231 -27.5231 -26.7517 -26.7517 -26.5386 -26.5386 -7.7314 -7.7314 -7.4140 -7.4140 4.5457 4.5457 5.0518 5.0518 6.5342 6.5342 6.5825 6.5825 7.6429 7.6429 7.7059 7.7059 11.3506 11.3506 13.1348 13.1348 13.3515 13.3515 14.9631 14.9631 15.4433 15.4433 k = 0.6136 0.1744-0.6234 ( 4086 PWs) bands (ev): -53.0118 -53.0118 -33.9358 -33.9358 -27.5177 -27.5177 -26.7466 -26.7466 -26.5392 -26.5392 -7.7410 -7.7410 -7.4327 -7.4327 4.5797 4.5797 5.0849 5.0849 6.5391 6.5391 6.5559 6.5559 7.6706 7.6706 7.7132 7.7132 11.3712 11.3712 13.1155 13.1155 13.3357 13.3357 14.9234 14.9234 15.4330 15.4330 k = 0.6110 0.1736-0.6073 ( 4086 PWs) bands (ev): -53.0133 -53.0133 -33.9365 -33.9365 -27.5122 -27.5122 -26.7414 -26.7414 -26.5399 -26.5399 -7.7524 -7.7524 -7.4504 -7.4504 4.6104 4.6104 5.1253 5.1253 6.5254 6.5254 6.5458 6.5458 7.6947 7.6947 7.7248 7.7248 11.3927 11.3927 13.0955 13.0955 13.3205 13.3205 14.8846 14.8846 15.4223 15.4223 k = 0.6084 0.1729-0.5911 ( 4089 PWs) bands (ev): -53.0148 -53.0148 -33.9372 -33.9372 -27.5066 -27.5066 -26.7359 -26.7359 -26.5405 -26.5405 -7.7658 -7.7658 -7.4668 -7.4668 4.6380 4.6380 5.1724 5.1724 6.4965 6.4965 6.5494 6.5494 7.7122 7.7122 7.7431 7.7431 11.4150 11.4150 13.0746 13.0746 13.3057 13.3057 14.8470 14.8470 15.4113 15.4113 k = 0.6058 0.1722-0.5750 ( 4090 PWs) bands (ev): -53.0163 -53.0163 -33.9379 -33.9379 -27.5010 -27.5010 -26.7303 -26.7303 -26.5411 -26.5411 -7.7814 -7.7814 -7.4816 -7.4816 4.6631 4.6631 5.2252 5.2252 6.4669 6.4669 6.5525 6.5525 7.7255 7.7255 7.7658 7.7658 11.4381 11.4381 13.0530 13.0530 13.2913 13.2913 14.8109 14.8109 15.4002 15.4002 k = 0.6032 0.1714-0.5589 ( 4090 PWs) bands (ev): -53.0179 -53.0179 -33.9386 -33.9386 -27.4953 -27.4953 -26.7245 -26.7245 -26.5416 -26.5416 -7.7993 -7.7993 -7.4947 -7.4947 4.6863 4.6863 5.2826 5.2826 6.4378 6.4378 6.5547 6.5547 7.7381 7.7381 7.7890 7.7890 11.4619 11.4619 13.0306 13.0306 13.2774 13.2774 14.7764 14.7764 15.3889 15.3889 k = 0.6007 0.1707-0.5427 ( 4098 PWs) bands (ev): -53.0195 -53.0195 -33.9394 -33.9394 -27.4896 -27.4896 -26.7184 -26.7184 -26.5422 -26.5422 -7.8194 -7.8194 -7.5061 -7.5061 4.7082 4.7082 5.3429 5.3429 6.4102 6.4102 6.5560 6.5560 7.7515 7.7515 7.8109 7.8109 11.4864 11.4864 13.0074 13.0074 13.2639 13.2639 14.7439 14.7439 15.3775 15.3775 k = 0.5981 0.1700-0.5266 ( 4104 PWs) bands (ev): -53.0212 -53.0212 -33.9402 -33.9402 -27.4839 -27.4839 -26.7123 -26.7123 -26.5427 -26.5427 -7.8416 -7.8416 -7.5157 -7.5157 4.7296 4.7296 5.4046 5.4046 6.3852 6.3852 6.5562 6.5562 7.7661 7.7661 7.8310 7.8310 11.5113 11.5113 12.9835 12.9835 13.2507 13.2507 14.7136 14.7136 15.3661 15.3661 k = 0.5955 0.1692-0.5105 ( 4104 PWs) bands (ev): -53.0228 -53.0228 -33.9409 -33.9409 -27.4782 -27.4782 -26.7059 -26.7059 -26.5432 -26.5432 -7.8657 -7.8657 -7.5237 -7.5237 4.7510 4.7510 5.4656 5.4656 6.3644 6.3644 6.5554 6.5554 7.7822 7.7822 7.8489 7.8489 11.5368 11.5368 12.9588 12.9588 13.2378 13.2378 14.6857 14.6857 15.3547 15.3547 k = 0.5929 0.1685-0.4943 ( 4108 PWs) bands (ev): -53.0245 -53.0245 -33.9417 -33.9417 -27.4725 -27.4725 -26.6994 -26.6994 -26.5437 -26.5437 -7.8914 -7.8914 -7.5303 -7.5303 4.7729 4.7729 5.5234 5.5234 6.3497 6.3497 6.5535 6.5535 7.7999 7.7999 7.8643 7.8643 11.5626 11.5626 12.9334 12.9334 13.2251 13.2251 14.6604 14.6604 15.3434 15.3434 k = 0.5903 0.1678-0.4782 ( 4116 PWs) bands (ev): -53.0262 -53.0262 -33.9425 -33.9425 -27.4669 -27.4669 -26.6928 -26.6928 -26.5441 -26.5441 -7.9186 -7.9186 -7.5356 -7.5356 4.7954 4.7954 5.5754 5.5754 6.3438 6.3438 6.5506 6.5506 7.8189 7.8189 7.8771 7.8771 11.5887 11.5887 12.9073 12.9073 13.2126 13.2126 14.6380 14.6380 15.3322 15.3322 k = 0.5878 0.1670-0.4621 ( 4116 PWs) bands (ev): -53.0279 -53.0279 -33.9433 -33.9433 -27.4613 -27.4613 -26.6861 -26.6861 -26.5444 -26.5444 -7.9469 -7.9469 -7.5398 -7.5398 4.8190 4.8190 5.6185 5.6185 6.3493 6.3493 6.5466 6.5466 7.8392 7.8392 7.8873 7.8873 11.6149 11.6149 12.8804 12.8804 13.2002 13.2002 14.6186 14.6186 15.3211 15.3211 k = 0.5852 0.1663-0.4459 ( 4116 PWs) bands (ev): -53.0296 -53.0296 -33.9441 -33.9441 -27.4558 -27.4558 -26.6792 -26.6792 -26.5447 -26.5447 -7.9762 -7.9762 -7.5431 -7.5431 4.8438 4.8438 5.6500 5.6500 6.3687 6.3687 6.5416 6.5416 7.8600 7.8600 7.8955 7.8955 11.6412 11.6412 12.8529 12.8529 13.1877 13.1877 14.6024 14.6024 15.3103 15.3103 k = 0.5826 0.1656-0.4298 ( 4121 PWs) bands (ev): -53.0313 -53.0313 -33.9449 -33.9449 -27.4503 -27.4503 -26.6724 -26.6724 -26.5450 -26.5450 -8.0061 -8.0061 -7.5456 -7.5456 4.8700 4.8700 5.6684 5.6684 6.4034 6.4034 6.5357 6.5357 7.8785 7.8785 7.9044 7.9044 11.6675 11.6675 12.8247 12.8247 13.1753 13.1753 14.5896 14.5896 15.2997 15.2997 k = 0.5800 0.1648-0.4137 ( 4121 PWs) bands (ev): -53.0330 -53.0330 -33.9457 -33.9457 -27.4450 -27.4450 -26.6654 -26.6654 -26.5451 -26.5451 -8.0366 -8.0366 -7.5474 -7.5474 4.8976 4.8976 5.6740 5.6740 6.4529 6.4529 6.5290 6.5290 7.8874 7.8874 7.9211 7.9211 11.6936 11.6936 12.7959 12.7959 13.1628 13.1628 14.5802 14.5802 15.2894 15.2894 k = 0.5774 0.1641-0.3975 ( 4125 PWs) bands (ev): -53.0347 -53.0347 -33.9465 -33.9465 -27.4398 -27.4398 -26.6584 -26.6584 -26.5452 -26.5452 -8.0673 -8.0673 -7.5488 -7.5488 4.9268 4.9268 5.6685 5.6685 6.5144 6.5144 6.5224 6.5224 7.8870 7.8870 7.9451 7.9451 11.7194 11.7194 12.7664 12.7664 13.1502 13.1502 14.5743 14.5743 15.2795 15.2795 k = 0.5749 0.1634-0.3814 ( 4121 PWs) bands (ev): -53.0364 -53.0364 -33.9473 -33.9473 -27.4347 -27.4347 -26.6515 -26.6515 -26.5452 -26.5452 -8.0982 -8.0982 -7.5496 -7.5496 4.9576 4.9576 5.6542 5.6542 6.5127 6.5127 6.5888 6.5888 7.8816 7.8816 7.9723 7.9723 11.7448 11.7448 12.7363 12.7363 13.1375 13.1375 14.5719 14.5719 15.2700 15.2700 k = 0.5723 0.1626-0.3653 ( 4125 PWs) bands (ev): -53.0381 -53.0381 -33.9481 -33.9481 -27.4298 -27.4298 -26.6445 -26.6445 -26.5452 -26.5452 -8.1291 -8.1291 -7.5501 -7.5501 4.9900 4.9900 5.6335 5.6335 6.5037 6.5037 6.6698 6.6698 7.8722 7.8722 8.0011 8.0011 11.7697 11.7697 12.7057 12.7057 13.1246 13.1246 14.5731 14.5731 15.2608 15.2608 k = 0.5697 0.1619-0.3491 ( 4126 PWs) bands (ev): -53.0398 -53.0398 -33.9489 -33.9489 -27.4250 -27.4250 -26.6377 -26.6377 -26.5449 -26.5449 -8.1599 -8.1599 -7.5503 -7.5503 5.0239 5.0239 5.6084 5.6084 6.4941 6.4941 6.7570 6.7570 7.8593 7.8593 8.0313 8.0313 11.7940 11.7940 12.6746 12.6746 13.1117 13.1117 14.5778 14.5778 15.2521 15.2521 k = 0.5671 0.1612-0.3330 ( 4125 PWs) bands (ev): -53.0414 -53.0414 -33.9497 -33.9497 -27.4204 -27.4204 -26.6309 -26.6309 -26.5446 -26.5446 -8.1904 -8.1904 -7.5502 -7.5502 5.0595 5.0595 5.5802 5.5802 6.4840 6.4840 6.8486 6.8486 7.8430 7.8430 8.0625 8.0625 11.8175 11.8175 12.6431 12.6431 13.0986 13.0986 14.5859 14.5859 15.2438 15.2438 k = 0.5645 0.1604-0.3169 ( 4132 PWs) bands (ev): -53.0430 -53.0430 -33.9504 -33.9504 -27.4159 -27.4159 -26.6243 -26.6243 -26.5441 -26.5441 -8.2205 -8.2205 -7.5499 -7.5499 5.0964 5.0964 5.5501 5.5501 6.4734 6.4734 6.9435 6.9435 7.8233 7.8233 8.0946 8.0946 11.8402 11.8402 12.6112 12.6112 13.0855 13.0855 14.5973 14.5973 15.2360 15.2360 k = 0.5619 0.1597-0.3007 ( 4122 PWs) bands (ev): -53.0446 -53.0446 -33.9512 -33.9512 -27.4116 -27.4116 -26.6178 -26.6178 -26.5435 -26.5435 -8.2502 -8.2502 -7.5494 -7.5494 5.1347 5.1347 5.5192 5.5192 6.4625 6.4625 7.0406 7.0406 7.8005 7.8005 8.1274 8.1274 11.8620 11.8620 12.5789 12.5789 13.0724 13.0724 14.6118 14.6118 15.2287 15.2287 k = 0.5594 0.1590-0.2846 ( 4120 PWs) bands (ev): -53.0461 -53.0461 -33.9519 -33.9519 -27.4074 -27.4074 -26.6116 -26.6116 -26.5426 -26.5426 -8.2794 -8.2794 -7.5488 -7.5488 5.1741 5.1741 5.4882 5.4882 6.4514 6.4514 7.1392 7.1392 7.7746 7.7746 8.1607 8.1607 11.8827 11.8827 12.5465 12.5465 13.0593 13.0593 14.6294 14.6294 15.2219 15.2219 k = 0.5568 0.1582-0.2685 ( 4118 PWs) bands (ev): -53.0477 -53.0477 -33.9526 -33.9526 -27.4034 -27.4034 -26.6057 -26.6057 -26.5415 -26.5415 -8.3078 -8.3078 -7.5481 -7.5481 5.2138 5.2138 5.4583 5.4583 6.4401 6.4401 7.2386 7.2386 7.7457 7.7457 8.1945 8.1945 11.9022 11.9022 12.5138 12.5138 13.0462 13.0462 14.6496 14.6496 15.2156 15.2156 k = 0.5542 0.1575-0.2523 ( 4118 PWs) bands (ev): -53.0491 -53.0491 -33.9533 -33.9533 -27.3997 -27.3997 -26.6002 -26.6002 -26.5401 -26.5401 -8.3356 -8.3356 -7.5473 -7.5473 5.2523 5.2523 5.4312 5.4312 6.4287 6.4287 7.3381 7.3381 7.7140 7.7140 8.2285 8.2285 11.9206 11.9206 12.4812 12.4812 13.0333 13.0333 14.6724 14.6724 15.2097 15.2097 k = 0.5516 0.1568-0.2362 ( 4111 PWs) bands (ev): -53.0506 -53.0506 -33.9540 -33.9540 -27.3960 -27.3960 -26.5951 -26.5951 -26.5385 -26.5385 -8.3625 -8.3625 -7.5464 -7.5464 5.2851 5.2851 5.4119 5.4119 6.4173 6.4173 7.4372 7.4372 7.6798 7.6798 8.2627 8.2627 11.9376 11.9376 12.4485 12.4485 13.0206 13.0206 14.6975 14.6975 15.2044 15.2044 k = 0.5490 0.1560-0.2201 ( 4103 PWs) bands (ev): -53.0520 -53.0520 -33.9546 -33.9546 -27.3926 -27.3926 -26.5904 -26.5904 -26.5365 -26.5365 -8.3886 -8.3886 -7.5455 -7.5455 5.3005 5.3005 5.4122 5.4122 6.4060 6.4060 7.5341 7.5341 7.6444 7.6444 8.2967 8.2967 11.9533 11.9533 12.4161 12.4161 13.0082 13.0082 14.7245 14.7245 15.1995 15.1995 k = 0.5465 0.1553-0.2039 ( 4105 PWs) bands (ev): -53.0533 -53.0533 -33.9552 -33.9552 -27.3894 -27.3894 -26.5863 -26.5863 -26.5341 -26.5341 -8.4137 -8.4137 -7.5446 -7.5446 5.2918 5.2918 5.4387 5.4387 6.3948 6.3948 7.5920 7.5920 7.6443 7.6443 8.3306 8.3306 11.9675 11.9675 12.3839 12.3839 12.9961 12.9961 14.7532 14.7532 15.1950 15.1950 k = 0.5439 0.1546-0.1878 ( 4101 PWs) bands (ev): -53.0546 -53.0546 -33.9558 -33.9558 -27.3863 -27.3863 -26.5826 -26.5826 -26.5314 -26.5314 -8.4378 -8.4378 -7.5437 -7.5437 5.2711 5.2711 5.4797 5.4797 6.3839 6.3839 7.5564 7.5564 7.7339 7.7339 8.3641 8.3641 11.9803 11.9803 12.3522 12.3522 12.9844 12.9844 14.7832 14.7832 15.1911 15.1911 k = 0.5413 0.1538-0.1717 ( 4105 PWs) bands (ev): -53.0558 -53.0558 -33.9564 -33.9564 -27.3835 -27.3835 -26.5795 -26.5795 -26.5285 -26.5285 -8.4608 -8.4608 -7.5427 -7.5427 5.2467 5.2467 5.5267 5.5267 6.3732 6.3732 7.5128 7.5128 7.8271 7.8271 8.3970 8.3970 11.9916 11.9916 12.3210 12.3210 12.9732 12.9732 14.8143 14.8143 15.1875 15.1875 k = 0.5387 0.1531-0.1555 ( 4103 PWs) bands (ev): -53.0570 -53.0570 -33.9569 -33.9569 -27.3808 -27.3808 -26.5769 -26.5769 -26.5253 -26.5253 -8.4827 -8.4827 -7.5418 -7.5418 5.2218 5.2218 5.5768 5.5768 6.3629 6.3629 7.4667 7.4667 7.9186 7.9186 8.4292 8.4292 12.0014 12.0014 12.2906 12.2906 12.9624 12.9624 14.8461 14.8461 15.1843 15.1843 k = 0.5361 0.1524-0.1394 ( 4101 PWs) bands (ev): -53.0581 -53.0581 -33.9575 -33.9575 -27.3783 -27.3783 -26.5747 -26.5747 -26.5219 -26.5219 -8.5035 -8.5035 -7.5408 -7.5408 5.1972 5.1972 5.6288 5.6288 6.3530 6.3530 7.4185 7.4185 8.0073 8.0073 8.4604 8.4604 12.0097 12.0097 12.2610 12.2610 12.9523 12.9523 14.8782 14.8782 15.1815 15.1815 k = 0.5336 0.1516-0.1233 ( 4104 PWs) bands (ev): -53.0591 -53.0591 -33.9580 -33.9580 -27.3760 -27.3760 -26.5728 -26.5728 -26.5184 -26.5184 -8.5230 -8.5230 -7.5400 -7.5400 5.1737 5.1737 5.6822 5.6822 6.3435 6.3435 7.3686 7.3686 8.0929 8.0929 8.4906 8.4906 12.0165 12.0165 12.2324 12.2324 12.9428 12.9428 14.9103 14.9103 15.1791 15.1791 k = 0.5310 0.1509-0.1071 ( 4099 PWs) bands (ev): -53.0601 -53.0601 -33.9584 -33.9584 -27.3738 -27.3738 -26.5713 -26.5713 -26.5149 -26.5149 -8.5412 -8.5412 -7.5391 -7.5391 5.1514 5.1514 5.7367 5.7367 6.3345 6.3345 7.3172 7.3172 8.1746 8.1746 8.5196 8.5196 12.0220 12.0220 12.2051 12.2051 12.9339 12.9339 14.9420 14.9420 15.1769 15.1769 k = 0.5284 0.1502-0.0910 ( 4094 PWs) bands (ev): -53.0610 -53.0610 -33.9588 -33.9588 -27.3719 -27.3719 -26.5701 -26.5701 -26.5114 -26.5114 -8.5582 -8.5582 -7.5383 -7.5383 5.1305 5.1305 5.7920 5.7920 6.3261 6.3261 7.2646 7.2646 8.2522 8.2522 8.5471 8.5471 12.0261 12.0261 12.1791 12.1791 12.9258 12.9258 14.9729 14.9729 15.1751 15.1751 k = 0.5258 0.1494-0.0749 ( 4090 PWs) bands (ev): -53.0618 -53.0618 -33.9592 -33.9592 -27.3701 -27.3701 -26.5690 -26.5690 -26.5081 -26.5081 -8.5737 -8.5737 -7.5375 -7.5375 5.1112 5.1112 5.8479 5.8479 6.3182 6.3182 7.2111 7.2111 8.3251 8.3251 8.5730 8.5730 12.0290 12.0290 12.1546 12.1546 12.9183 12.9183 15.0027 15.0027 15.1736 15.1736 k = 0.5232 0.1487-0.0587 ( 4090 PWs) bands (ev): -53.0626 -53.0626 -33.9596 -33.9596 -27.3685 -27.3685 -26.5682 -26.5682 -26.5049 -26.5049 -8.5880 -8.5880 -7.5368 -7.5368 5.0935 5.0935 5.9039 5.9039 6.3110 6.3110 7.1570 7.1570 8.3929 8.3929 8.5972 8.5972 12.0308 12.0308 12.1319 12.1319 12.9117 12.9117 15.0310 15.0310 15.1722 15.1722 k = 0.5206 0.1480-0.0426 ( 4088 PWs) bands (ev): -53.0632 -53.0632 -33.9599 -33.9599 -27.3671 -27.3671 -26.5674 -26.5674 -26.5020 -26.5020 -8.6008 -8.6008 -7.5362 -7.5362 5.0775 5.0775 5.9598 5.9598 6.3045 6.3045 7.1028 7.1028 8.4549 8.4549 8.6194 8.6194 12.0316 12.0316 12.1110 12.1110 12.9057 12.9057 15.0575 15.0575 15.1711 15.1711 k = 0.5181 0.1472-0.0265 ( 4096 PWs) bands (ev): -53.0639 -53.0639 -33.9602 -33.9602 -27.3658 -27.3658 -26.5669 -26.5669 -26.4994 -26.4994 -8.6121 -8.6121 -7.5356 -7.5356 5.0632 5.0632 6.0151 6.0151 6.2986 6.2986 7.0488 7.0488 8.5108 8.5108 8.6397 8.6397 12.0317 12.0317 12.0921 12.0921 12.9006 12.9006 15.0818 15.0818 15.1702 15.1702 k = 0.5155 0.1465-0.0103 ( 4096 PWs) bands (ev): -53.0644 -53.0644 -33.9604 -33.9604 -27.3648 -27.3648 -26.5664 -26.5664 -26.4970 -26.4970 -8.6220 -8.6220 -7.5351 -7.5351 5.0508 5.0508 6.0691 6.0691 6.2935 6.2935 6.9958 6.9958 8.5600 8.5600 8.6578 8.6578 12.0313 12.0313 12.0754 12.0754 12.8961 12.8961 15.1036 15.1036 15.1695 15.1695 k = 0.5129 0.1458 0.0058 ( 4101 PWs) bands (ev): -53.0648 -53.0648 -33.9607 -33.9607 -27.3638 -27.3638 -26.5660 -26.5660 -26.4950 -26.4950 -8.6304 -8.6304 -7.5347 -7.5347 5.0403 5.0403 6.1210 6.1210 6.2892 6.2892 6.9448 6.9448 8.6020 8.6020 8.6739 8.6739 12.0304 12.0304 12.0611 12.0611 12.8924 12.8924 15.1225 15.1225 15.1689 15.1689 k = 0.5103 0.1450 0.0219 ( 4103 PWs) bands (ev): -53.0652 -53.0652 -33.9608 -33.9608 -27.3631 -27.3631 -26.5657 -26.5657 -26.4933 -26.4933 -8.6373 -8.6373 -7.5343 -7.5343 5.0316 5.0316 6.1694 6.1694 6.2856 6.2856 6.8970 6.8970 8.6361 8.6361 8.6880 8.6880 12.0293 12.0293 12.0493 12.0493 12.8894 12.8894 15.1384 15.1384 15.1685 15.1685 k = 0.5077 0.1443 0.0381 ( 4103 PWs) bands (ev): -53.0655 -53.0655 -33.9610 -33.9610 -27.3625 -27.3625 -26.5655 -26.5655 -26.4919 -26.4919 -8.6427 -8.6427 -7.5341 -7.5341 5.0248 5.0248 6.2124 6.2124 6.2829 6.2829 6.8544 6.8544 8.6617 8.6617 8.7004 8.7004 12.0282 12.0282 12.0401 12.0401 12.8871 12.8871 15.1510 15.1510 15.1681 15.1681 k = 0.5052 0.1436 0.0542 ( 4100 PWs) bands (ev): -53.0657 -53.0657 -33.9611 -33.9611 -27.3621 -27.3621 -26.5653 -26.5653 -26.4910 -26.4910 -8.6466 -8.6466 -7.5339 -7.5339 5.0200 5.0200 6.2471 6.2471 6.2811 6.2811 6.8198 6.8198 8.6785 8.6785 8.7110 8.7110 12.0269 12.0269 12.0338 12.0338 12.8855 12.8855 15.1600 15.1600 15.1680 15.1680 k = 0.5026 0.1428 0.0703 ( 4102 PWs) bands (ev): -53.0658 -53.0658 -33.9611 -33.9611 -27.3619 -27.3619 -26.5652 -26.5652 -26.4904 -26.4904 -8.6489 -8.6489 -7.5337 -7.5337 5.0170 5.0170 6.2693 6.2693 6.2809 6.2809 6.7967 6.7967 8.6875 8.6875 8.7184 8.7184 12.0254 12.0254 12.0306 12.0306 12.8845 12.8845 15.1652 15.1652 15.1683 15.1683 k = 0.5000 0.1421 0.0865 ( 4098 PWs) bands (ev): -53.0659 -53.0659 -33.9611 -33.9611 -27.3618 -27.3618 -26.5652 -26.5652 -26.4902 -26.4902 -8.6496 -8.6496 -7.5337 -7.5337 5.0161 5.0161 6.2752 6.2752 6.2829 6.2829 6.7885 6.7885 8.6904 8.6904 8.7212 8.7212 12.0248 12.0248 12.0297 12.0297 12.8842 12.8842 15.1664 15.1664 15.1689 15.1689 k = 0.5000-0.8087-0.4920 ( 4084 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7497 -7.7497 -7.0915 -7.0915 4.0861 4.0861 5.6380 5.6380 5.7215 5.7215 6.2959 6.2959 7.3546 7.3546 7.9085 7.9085 11.4472 11.4472 13.3258 13.3258 13.6201 13.6201 15.3055 15.3055 15.3981 15.3981 k = 0.5143-0.8022-0.4881 ( 4083 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7495 -7.7495 -7.0917 -7.0917 4.0859 4.0859 5.6229 5.6229 5.7375 5.7375 6.2963 6.2963 7.3547 7.3547 7.9080 7.9080 11.4464 11.4464 13.3258 13.3258 13.6200 13.6200 15.3060 15.3060 15.3985 15.3985 k = 0.5286-0.7958-0.4842 ( 4083 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7490 -7.7490 -7.0924 -7.0924 4.0852 4.0852 5.5926 5.5926 5.7705 5.7705 6.2973 6.2973 7.3550 7.3550 7.9063 7.9063 11.4440 11.4440 13.3258 13.3258 13.6199 13.6199 15.3073 15.3073 15.3998 15.3998 k = 0.5429-0.7893-0.4803 ( 4089 PWs) bands (ev): -52.9955 -52.9955 -33.9283 -33.9283 -27.5824 -27.5824 -26.8007 -26.8007 -26.5307 -26.5307 -7.7481 -7.7481 -7.0934 -7.0934 4.0841 4.0841 5.5590 5.5590 5.8086 5.8086 6.2992 6.2992 7.3555 7.3555 7.9036 7.9036 11.4400 11.4400 13.3257 13.3257 13.6196 13.6196 15.3097 15.3097 15.4020 15.4020 k = 0.5573-0.7829-0.4763 ( 4090 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5824 -27.5824 -26.8006 -26.8006 -26.5307 -26.5307 -7.7469 -7.7469 -7.0949 -7.0949 4.0826 4.0826 5.5251 5.5251 5.8489 5.8489 6.3017 6.3017 7.3561 7.3561 7.8997 7.8997 11.4345 11.4345 13.3257 13.3257 13.6193 13.6193 15.3129 15.3129 15.4050 15.4050 k = 0.5716-0.7764-0.4724 ( 4088 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5823 -27.5823 -26.8006 -26.8006 -26.5307 -26.5307 -7.7453 -7.7453 -7.0968 -7.0968 4.0807 4.0807 5.4916 5.4916 5.8903 5.8903 6.3049 6.3049 7.3569 7.3569 7.8949 7.8949 11.4275 11.4275 13.3257 13.3257 13.6188 13.6188 15.3172 15.3172 15.4088 15.4088 k = 0.5859-0.7699-0.4685 ( 4092 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5823 -27.5823 -26.8006 -26.8006 -26.5307 -26.5307 -7.7434 -7.7434 -7.0990 -7.0990 4.0783 4.0783 5.4591 5.4591 5.9325 5.9325 6.3088 6.3088 7.3578 7.3578 7.8891 7.8891 11.4191 11.4191 13.3256 13.3256 13.6183 13.6183 15.3224 15.3224 15.4134 15.4134 k = 0.6002-0.7635-0.4645 ( 4094 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5822 -27.5822 -26.8005 -26.8005 -26.5307 -26.5307 -7.7411 -7.7411 -7.1017 -7.1017 4.0757 4.0757 5.4277 5.4277 5.9752 5.9752 6.3133 6.3133 7.3588 7.3588 7.8823 7.8823 11.4093 11.4093 13.3255 13.3255 13.6176 13.6176 15.3286 15.3286 15.4187 15.4187 k = 0.6145-0.7570-0.4606 ( 4094 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5822 -27.5822 -26.8005 -26.8005 -26.5307 -26.5307 -7.7386 -7.7386 -7.1047 -7.1047 4.0727 4.0727 5.3975 5.3975 6.0183 6.0183 6.3185 6.3185 7.3598 7.3598 7.8746 7.8746 11.3983 11.3983 13.3254 13.3254 13.6169 13.6169 15.3358 15.3358 15.4247 15.4247 k = 0.6288-0.7506-0.4567 ( 4092 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5821 -27.5821 -26.8004 -26.8004 -26.5308 -26.5308 -7.7357 -7.7357 -7.1081 -7.1081 4.0695 4.0695 5.3686 5.3686 6.0615 6.0615 6.3242 6.3242 7.3609 7.3609 7.8661 7.8661 11.3861 11.3861 13.3253 13.3253 13.6161 13.6161 15.3441 15.3441 15.4313 15.4313 k = 0.6431-0.7441-0.4528 ( 4093 PWs) bands (ev): -52.9956 -52.9956 -33.9283 -33.9283 -27.5820 -27.5820 -26.8004 -26.8004 -26.5308 -26.5308 -7.7325 -7.7325 -7.1119 -7.1119 4.0660 4.0660 5.3410 5.3410 6.1046 6.1046 6.3305 6.3305 7.3618 7.3618 7.8568 7.8568 11.3728 11.3728 13.3252 13.3252 13.6152 13.6152 15.3534 15.3534 15.4384 15.4384 k = 0.6574-0.7376-0.4488 ( 4092 PWs) bands (ev): -52.9957 -52.9957 -33.9283 -33.9283 -27.5819 -27.5819 -26.8003 -26.8003 -26.5308 -26.5308 -7.7291 -7.7291 -7.1160 -7.1160 4.0623 4.0623 5.3148 5.3148 6.1476 6.1476 6.3373 6.3373 7.3627 7.3627 7.8469 7.8469 11.3587 11.3587 13.3250 13.3250 13.6143 13.6143 15.3638 15.3638 15.4460 15.4460 k = 0.6718-0.7312-0.4449 ( 4091 PWs) bands (ev): -52.9957 -52.9957 -33.9283 -33.9283 -27.5818 -27.5818 -26.8003 -26.8003 -26.5308 -26.5308 -7.7255 -7.7255 -7.1203 -7.1203 4.0585 4.0585 5.2901 5.2901 6.1902 6.1902 6.3446 6.3446 7.3635 7.3635 7.8364 7.8364 11.3438 11.3438 13.3248 13.3248 13.6132 13.6132 15.3753 15.3753 15.4540 15.4540 k = 0.6861-0.7247-0.4410 ( 4091 PWs) bands (ev): -52.9957 -52.9957 -33.9283 -33.9283 -27.5817 -27.5817 -26.8002 -26.8002 -26.5308 -26.5308 -7.7216 -7.7216 -7.1250 -7.1250 4.0546 4.0546 5.2668 5.2668 6.2323 6.2323 6.3522 6.3522 7.3640 7.3640 7.8253 7.8253 11.3282 11.3282 13.3246 13.3246 13.6121 13.6121 15.3878 15.3878 15.4623 15.4623 k = 0.7004-0.7183-0.4370 ( 4089 PWs) bands (ev): -52.9957 -52.9957 -33.9284 -33.9284 -27.5816 -27.5816 -26.8001 -26.8001 -26.5309 -26.5309 -7.7175 -7.7175 -7.1299 -7.1299 4.0507 4.0507 5.2449 5.2449 6.2736 6.2736 6.3602 6.3602 7.3643 7.3643 7.8139 7.8139 11.3122 11.3122 13.3243 13.3243 13.6110 13.6110 15.4014 15.4014 15.4708 15.4708 k = 0.7147-0.7118-0.4331 ( 4090 PWs) bands (ev): -52.9958 -52.9958 -33.9284 -33.9284 -27.5815 -27.5815 -26.8000 -26.8000 -26.5309 -26.5309 -7.7132 -7.7132 -7.1351 -7.1351 4.0468 4.0468 5.2246 5.2246 6.3141 6.3141 6.3686 6.3686 7.3644 7.3644 7.8022 7.8022 11.2959 11.2959 13.3240 13.3240 13.6098 13.6098 15.4160 15.4160 15.4794 15.4794 k = 0.7290-0.7053-0.4292 ( 4091 PWs) bands (ev): -52.9958 -52.9958 -33.9284 -33.9284 -27.5813 -27.5813 -26.7999 -26.7999 -26.5309 -26.5309 -7.7088 -7.7088 -7.1405 -7.1405 4.0430 4.0430 5.2057 5.2057 6.3531 6.3531 6.3775 6.3775 7.3641 7.3641 7.7903 7.7903 11.2795 11.2795 13.3236 13.3236 13.6086 13.6086 15.4316 15.4316 15.4880 15.4880 k = 0.7433-0.6989-0.4252 ( 4093 PWs) bands (ev): -52.9959 -52.9959 -33.9284 -33.9284 -27.5812 -27.5812 -26.7998 -26.7998 -26.5310 -26.5310 -7.7043 -7.7043 -7.1460 -7.1460 4.0393 4.0393 5.1883 5.1883 6.3828 6.3828 6.3944 6.3944 7.3636 7.3636 7.7783 7.7783 11.2632 11.2632 13.3233 13.3233 13.6074 13.6074 15.4481 15.4481 15.4967 15.4967 k = 0.7576-0.6924-0.4213 ( 4096 PWs) bands (ev): -52.9959 -52.9959 -33.9284 -33.9284 -27.5811 -27.5811 -26.7997 -26.7997 -26.5310 -26.5310 -7.6996 -7.6996 -7.1517 -7.1517 4.0359 4.0359 5.1723 5.1723 6.3931 6.3931 6.4295 6.4295 7.3627 7.3627 7.7664 7.7664 11.2471 11.2471 13.3228 13.3228 13.6061 13.6061 15.4654 15.4654 15.5052 15.5052 k = 0.7720-0.6860-0.4174 ( 4090 PWs) bands (ev): -52.9959 -52.9959 -33.9284 -33.9284 -27.5809 -27.5809 -26.7996 -26.7996 -26.5310 -26.5310 -7.6950 -7.6950 -7.1575 -7.1575 4.0327 4.0327 5.1579 5.1579 6.4018 6.4018 6.4642 6.4642 7.3615 7.3615 7.7547 7.7547 11.2315 11.2315 13.3224 13.3224 13.6049 13.6049 15.4835 15.4835 15.5135 15.5135 k = 0.7863-0.6795-0.4135 ( 4097 PWs) bands (ev): -52.9960 -52.9960 -33.9284 -33.9284 -27.5807 -27.5807 -26.7994 -26.7994 -26.5311 -26.5311 -7.6903 -7.6903 -7.1633 -7.1633 4.0298 4.0298 5.1449 5.1449 6.4102 6.4102 6.4972 6.4972 7.3601 7.3601 7.7432 7.7432 11.2165 11.2165 13.3218 13.3218 13.6036 13.6036 15.5020 15.5020 15.5218 15.5218 k = 0.8006-0.6731-0.4095 ( 4103 PWs) bands (ev): -52.9960 -52.9960 -33.9285 -33.9285 -27.5806 -27.5806 -26.7993 -26.7993 -26.5311 -26.5311 -7.6856 -7.6856 -7.1692 -7.1692 4.0274 4.0274 5.1333 5.1333 6.4184 6.4184 6.5279 6.5279 7.3584 7.3584 7.7322 7.7322 11.2023 11.2023 13.3213 13.3213 13.6023 13.6023 15.5200 15.5200 15.5307 15.5307 k = 0.8149-0.6666-0.4056 ( 4103 PWs) bands (ev): -52.9961 -52.9961 -33.9285 -33.9285 -27.5804 -27.5804 -26.7992 -26.7992 -26.5312 -26.5312 -7.6811 -7.6811 -7.1750 -7.1750 4.0253 4.0253 5.1232 5.1232 6.4262 6.4262 6.5562 6.5562 7.3566 7.3566 7.7217 7.7217 11.1891 11.1891 13.3206 13.3206 13.6010 13.6010 15.5328 15.5328 15.5447 15.5447 Writing output data file LiVO2.save init_run : 0.33s CPU 0.53s WALL ( 1 calls) electrons : 168.98s CPU 171.24s 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 : 168.98s CPU 171.23s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 423 calls) cegterg : 150.40s CPU 152.08s WALL ( 423 calls) Called by sum_band: Called by *egterg: h_psi : 130.97s CPU 132.39s WALL ( 6018 calls) s_psi : 1.58s CPU 1.68s WALL ( 6018 calls) g_psi : 0.20s CPU 0.18s WALL ( 5172 calls) cdiaghg : 25.04s CPU 25.58s WALL ( 5595 calls) cegterg:over : 3.36s CPU 3.47s WALL ( 5172 calls) cegterg:upda : 2.94s CPU 2.86s WALL ( 5172 calls) cegterg:last : 1.66s CPU 1.70s WALL ( 1269 calls) cdiaghg:chol : 1.48s CPU 1.48s WALL ( 5595 calls) cdiaghg:inve : 0.76s CPU 0.76s WALL ( 5595 calls) cdiaghg:para : 1.45s CPU 1.47s WALL ( 11190 calls) Called by h_psi: h_psi:vloc : 126.16s CPU 127.70s WALL ( 6018 calls) h_psi:vnl : 4.65s CPU 4.52s WALL ( 6018 calls) add_vuspsi : 2.33s CPU 2.17s WALL ( 6018 calls) General routines calbec : 2.32s CPU 2.33s WALL ( 6018 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.78s CPU 117.49s WALL ( 632320 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.21s WALL ( 846 calls) Parallel routines fft_scatter : 27.14s CPU 27.89s WALL ( 632343 calls) PWSCF : 3m 4.48s CPU 3m33.11s WALL This run was terminated on: 20:54:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=