Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:34:43 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: ./YOF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 62 38 11 1452 693 112 Max 63 39 12 1454 714 115 Sum 2237 1383 405 52323 25271 4067 bravais-lattice index = 14 lattice parameter (alat) = 12.5995 a.u. unit-cell volume = 530.5411 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.599492 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.837840 celldm(5)= 0.837840 celldm(6)= 0.837840 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.837840 0.545915 0.000000 ) a(3) = ( 0.837840 0.248874 0.485886 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.534744 -0.938251 ) b(2) = ( 0.000000 1.831786 -0.938251 ) b(3) = ( 0.000000 0.000000 2.058095 ) 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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) F 7.00 18.99840 F( 1.00) Y 11.00 88.90590 Y( 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= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0102041 -0.0156607 -0.0095740), wk = 0.0031250 k( 3) = ( 0.0204082 -0.0313213 -0.0191480), wk = 0.0031250 k( 4) = ( 0.0306122 -0.0469820 -0.0287220), wk = 0.0031250 k( 5) = ( 0.0408163 -0.0626426 -0.0382959), wk = 0.0031250 k( 6) = ( 0.0510204 -0.0783033 -0.0478699), wk = 0.0031250 k( 7) = ( 0.0612245 -0.0939639 -0.0574439), wk = 0.0031250 k( 8) = ( 0.0714286 -0.1096246 -0.0670179), wk = 0.0031250 k( 9) = ( 0.0816327 -0.1252852 -0.0765919), wk = 0.0031250 k( 10) = ( 0.0918367 -0.1409459 -0.0861659), wk = 0.0031250 k( 11) = ( 0.1020408 -0.1566065 -0.0957399), wk = 0.0031250 k( 12) = ( 0.1122449 -0.1722672 -0.1053138), wk = 0.0031250 k( 13) = ( 0.1224490 -0.1879278 -0.1148878), wk = 0.0031250 k( 14) = ( 0.1326531 -0.2035885 -0.1244618), wk = 0.0031250 k( 15) = ( 0.1428571 -0.2192492 -0.1340358), wk = 0.0031250 k( 16) = ( 0.1530612 -0.2349098 -0.1436098), wk = 0.0031250 k( 17) = ( 0.1632653 -0.2505705 -0.1531838), wk = 0.0031250 k( 18) = ( 0.1734694 -0.2662311 -0.1627577), wk = 0.0031250 k( 19) = ( 0.1836735 -0.2818918 -0.1723317), wk = 0.0031250 k( 20) = ( 0.1938776 -0.2975524 -0.1819057), wk = 0.0031250 k( 21) = ( 0.2040816 -0.3132131 -0.1914797), wk = 0.0031250 k( 22) = ( 0.2142857 -0.3288737 -0.2010537), wk = 0.0031250 k( 23) = ( 0.2244898 -0.3445344 -0.2106277), wk = 0.0031250 k( 24) = ( 0.2346939 -0.3601950 -0.2202017), wk = 0.0031250 k( 25) = ( 0.2448980 -0.3758557 -0.2297756), wk = 0.0031250 k( 26) = ( 0.2551020 -0.3915163 -0.2393496), wk = 0.0031250 k( 27) = ( 0.2653061 -0.4071770 -0.2489236), wk = 0.0031250 k( 28) = ( 0.2755102 -0.4228376 -0.2584976), wk = 0.0031250 k( 29) = ( 0.2857143 -0.4384983 -0.2680716), wk = 0.0031250 k( 30) = ( 0.2959184 -0.4541590 -0.2776456), wk = 0.0031250 k( 31) = ( 0.3061224 -0.4698196 -0.2872196), wk = 0.0031250 k( 32) = ( 0.3163265 -0.4854803 -0.2967935), wk = 0.0031250 k( 33) = ( 0.3265306 -0.5011409 -0.3063675), wk = 0.0031250 k( 34) = ( 0.3367347 -0.5168016 -0.3159415), wk = 0.0031250 k( 35) = ( 0.3469388 -0.5324622 -0.3255155), wk = 0.0031250 k( 36) = ( 0.3571429 -0.5481229 -0.3350895), wk = 0.0031250 k( 37) = ( 0.3673469 -0.5637835 -0.3446635), wk = 0.0031250 k( 38) = ( 0.3775510 -0.5794442 -0.3542375), wk = 0.0031250 k( 39) = ( 0.3877551 -0.5951048 -0.3638114), wk = 0.0031250 k( 40) = ( 0.3979592 -0.6107655 -0.3733854), wk = 0.0031250 k( 41) = ( 0.4081633 -0.6264262 -0.3829594), wk = 0.0031250 k( 42) = ( 0.4183674 -0.6420868 -0.3925334), wk = 0.0031250 k( 43) = ( 0.4285714 -0.6577475 -0.4021074), wk = 0.0031250 k( 44) = ( 0.4387755 -0.6734081 -0.4116814), wk = 0.0031250 k( 45) = ( 0.4489796 -0.6890688 -0.4212553), wk = 0.0031250 k( 46) = ( 0.4591837 -0.7047294 -0.4308293), wk = 0.0031250 k( 47) = ( 0.4693878 -0.7203901 -0.4404033), wk = 0.0031250 k( 48) = ( 0.4795918 -0.7360507 -0.4499773), wk = 0.0031250 k( 49) = ( 0.4897959 -0.7517114 -0.4595513), wk = 0.0031250 k( 50) = ( 0.5000000 -0.7673720 -0.4691253), wk = 0.0031250 k( 51) = ( 0.5000000 -0.7673720 -0.4691253), wk = 0.0031250 k( 52) = ( 0.5000000 -0.7563300 -0.4871873), wk = 0.0031250 k( 53) = ( 0.5000000 -0.7452880 -0.5052493), wk = 0.0031250 k( 54) = ( 0.5000000 -0.7342460 -0.5233113), wk = 0.0031250 k( 55) = ( 0.5000000 -0.7232039 -0.5413733), wk = 0.0031250 k( 56) = ( 0.5000000 -0.7121619 -0.5594353), wk = 0.0031250 k( 57) = ( 0.5000000 -0.7011199 -0.5774973), wk = 0.0031250 k( 58) = ( 0.5000000 -0.6900779 -0.5955593), wk = 0.0031250 k( 59) = ( 0.5000000 -0.6790358 -0.6136213), wk = 0.0031250 k( 60) = ( 0.5000000 -0.6679938 -0.6316833), wk = 0.0031250 k( 61) = ( 0.5000000 -0.6569518 -0.6497453), wk = 0.0031250 k( 62) = ( 0.5000000 -0.6459098 -0.6678073), wk = 0.0031250 k( 63) = ( 0.5000000 -0.6348677 -0.6858693), wk = 0.0031250 k( 64) = ( 0.5000000 -0.6238257 -0.7039313), wk = 0.0031250 k( 65) = ( 0.5000000 -0.6127837 -0.7219933), wk = 0.0031250 k( 66) = ( 0.5000000 -0.6017417 -0.7400553), wk = 0.0031250 k( 67) = ( 0.5000000 -0.5906996 -0.7581173), wk = 0.0031250 k( 68) = ( 0.5000000 -0.5796576 -0.7761793), wk = 0.0031250 k( 69) = ( 0.5000000 -0.5686156 -0.7942413), wk = 0.0031250 k( 70) = ( 0.5000000 -0.5575736 -0.8123033), wk = 0.0031250 k( 71) = ( 0.5000000 -0.5465315 -0.8303653), wk = 0.0031250 k( 72) = ( 0.5000000 -0.5354895 -0.8484273), wk = 0.0031250 k( 73) = ( 0.5000000 -0.5244475 -0.8664893), wk = 0.0031250 k( 74) = ( 0.5000000 -0.5134055 -0.8845513), wk = 0.0031250 k( 75) = ( 0.5000000 -0.5023634 -0.9026133), wk = 0.0031250 k( 76) = ( 0.5000000 -0.4913214 -0.9206753), wk = 0.0031250 k( 77) = ( 0.5000000 -0.4802794 -0.9387373), wk = 0.0031250 k( 78) = ( 0.5000000 -0.4692374 -0.9567993), wk = 0.0031250 k( 79) = ( 0.5000000 -0.4581953 -0.9748613), wk = 0.0031250 k( 80) = ( 0.5000000 -0.4471533 -0.9929233), wk = 0.0031250 k( 81) = ( 0.5000000 -0.4361113 -1.0109853), wk = 0.0031250 k( 82) = ( 0.5000000 -0.4250693 -1.0290473), wk = 0.0031250 k( 83) = ( 0.8131317 -0.3320561 -0.8474538), wk = 0.0031250 k( 84) = ( 0.8071099 -0.3228142 -0.8294105), wk = 0.0031250 k( 85) = ( 0.8010881 -0.3135724 -0.8113672), wk = 0.0031250 k( 86) = ( 0.7950664 -0.3043305 -0.7933239), wk = 0.0031250 k( 87) = ( 0.7890446 -0.2950886 -0.7752807), wk = 0.0031250 k( 88) = ( 0.7830229 -0.2858468 -0.7572374), wk = 0.0031250 k( 89) = ( 0.7770011 -0.2766049 -0.7391941), wk = 0.0031250 k( 90) = ( 0.7709793 -0.2673630 -0.7211508), wk = 0.0031250 k( 91) = ( 0.7649576 -0.2581212 -0.7031075), wk = 0.0031250 k( 92) = ( 0.7589358 -0.2488793 -0.6850643), wk = 0.0031250 k( 93) = ( 0.7529140 -0.2396374 -0.6670210), wk = 0.0031250 k( 94) = ( 0.7468923 -0.2303956 -0.6489777), wk = 0.0031250 k( 95) = ( 0.7408705 -0.2211537 -0.6309344), wk = 0.0031250 k( 96) = ( 0.7348488 -0.2119118 -0.6128912), wk = 0.0031250 k( 97) = ( 0.7288270 -0.2026700 -0.5948478), wk = 0.0031250 k( 98) = ( 0.7228052 -0.1934281 -0.5768046), wk = 0.0031250 k( 99) = ( 0.7167835 -0.1841862 -0.5587613), wk = 0.0031250 k( 100) = ( 0.7107617 -0.1749444 -0.5407180), wk = 0.0031250 k( 101) = ( 0.7047399 -0.1657025 -0.5226747), wk = 0.0031250 k( 102) = ( 0.6987182 -0.1564607 -0.5046315), wk = 0.0031250 k( 103) = ( 0.6926964 -0.1472188 -0.4865882), wk = 0.0031250 k( 104) = ( 0.6866747 -0.1379769 -0.4685449), wk = 0.0031250 k( 105) = ( 0.6806529 -0.1287351 -0.4505016), wk = 0.0031250 k( 106) = ( 0.6746311 -0.1194932 -0.4324583), wk = 0.0031250 k( 107) = ( 0.6686094 -0.1102513 -0.4144151), wk = 0.0031250 k( 108) = ( 0.6625876 -0.1010095 -0.3963718), wk = 0.0031250 k( 109) = ( 0.6565658 -0.0917676 -0.3783285), wk = 0.0031250 k( 110) = ( 0.6505441 -0.0825257 -0.3602852), wk = 0.0031250 k( 111) = ( 0.6445223 -0.0732839 -0.3422420), wk = 0.0031250 k( 112) = ( 0.6385005 -0.0640420 -0.3241987), wk = 0.0031250 k( 113) = ( 0.6324788 -0.0548001 -0.3061554), wk = 0.0031250 k( 114) = ( 0.6264570 -0.0455583 -0.2881121), wk = 0.0031250 k( 115) = ( 0.6204352 -0.0363164 -0.2700688), wk = 0.0031250 k( 116) = ( 0.6144135 -0.0270745 -0.2520255), wk = 0.0031250 k( 117) = ( 0.6083917 -0.0178327 -0.2339823), wk = 0.0031250 k( 118) = ( 0.6023700 -0.0085908 -0.2159390), wk = 0.0031250 k( 119) = ( 0.5963482 0.0006511 -0.1978957), wk = 0.0031250 k( 120) = ( 0.5903264 0.0098929 -0.1798524), wk = 0.0031250 k( 121) = ( 0.5843047 0.0191348 -0.1618092), wk = 0.0031250 k( 122) = ( 0.5782829 0.0283766 -0.1437659), wk = 0.0031250 k( 123) = ( 0.5722611 0.0376185 -0.1257226), wk = 0.0031250 k( 124) = ( 0.5662394 0.0468604 -0.1076793), wk = 0.0031250 k( 125) = ( 0.5602176 0.0561022 -0.0896360), wk = 0.0031250 k( 126) = ( 0.5541959 0.0653441 -0.0715927), wk = 0.0031250 k( 127) = ( 0.5481741 0.0745860 -0.0535495), wk = 0.0031250 k( 128) = ( 0.5421523 0.0838278 -0.0355062), wk = 0.0031250 k( 129) = ( 0.5361306 0.0930697 -0.0174629), wk = 0.0031250 k( 130) = ( 0.5301088 0.1023116 0.0005804), wk = 0.0031250 k( 131) = ( 0.5240870 0.1115534 0.0186237), wk = 0.0031250 k( 132) = ( 0.5180653 0.1207953 0.0366669), wk = 0.0031250 k( 133) = ( 0.5120435 0.1300371 0.0547102), wk = 0.0031250 k( 134) = ( 0.5060218 0.1392790 0.0727535), wk = 0.0031250 k( 135) = ( 0.5000000 0.1485209 0.0907968), wk = 0.0031250 k( 136) = ( 0.5000000 0.1485209 0.0907968), wk = 0.0031250 k( 137) = ( 0.4800000 0.1425800 0.0871649), wk = 0.0031250 k( 138) = ( 0.4600000 0.1366392 0.0835330), wk = 0.0031250 k( 139) = ( 0.4400000 0.1306984 0.0799012), wk = 0.0031250 k( 140) = ( 0.4200000 0.1247575 0.0762693), wk = 0.0031250 k( 141) = ( 0.4000000 0.1188167 0.0726374), wk = 0.0031250 k( 142) = ( 0.3800000 0.1128759 0.0690055), wk = 0.0031250 k( 143) = ( 0.3600000 0.1069350 0.0653737), wk = 0.0031250 k( 144) = ( 0.3400000 0.1009942 0.0617418), wk = 0.0031250 k( 145) = ( 0.3200000 0.0950534 0.0581099), wk = 0.0031250 k( 146) = ( 0.3000000 0.0891125 0.0544781), wk = 0.0031250 k( 147) = ( 0.2800000 0.0831717 0.0508462), wk = 0.0031250 k( 148) = ( 0.2600000 0.0772309 0.0472143), wk = 0.0031250 k( 149) = ( 0.2400000 0.0712900 0.0435824), wk = 0.0031250 k( 150) = ( 0.2200000 0.0653492 0.0399506), wk = 0.0031250 k( 151) = ( 0.2000000 0.0594084 0.0363187), wk = 0.0031250 k( 152) = ( 0.1800000 0.0534675 0.0326868), wk = 0.0031250 k( 153) = ( 0.1600000 0.0475267 0.0290550), wk = 0.0031250 k( 154) = ( 0.1400000 0.0415858 0.0254231), wk = 0.0031250 k( 155) = ( 0.1200000 0.0356450 0.0217912), wk = 0.0031250 k( 156) = ( 0.1000000 0.0297042 0.0181594), wk = 0.0031250 k( 157) = ( 0.0800000 0.0237633 0.0145275), wk = 0.0031250 k( 158) = ( 0.0600000 0.0178225 0.0108956), wk = 0.0031250 k( 159) = ( 0.0400000 0.0118817 0.0072637), wk = 0.0031250 k( 160) = ( 0.0200000 0.0059408 0.0036319), wk = 0.0031250 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 163) = ( 0.0060252 -0.0092471 -0.0180535), wk = 0.0031250 k( 164) = ( 0.0120503 -0.0184942 -0.0361069), wk = 0.0031250 k( 165) = ( 0.0180755 -0.0277412 -0.0541604), wk = 0.0031250 k( 166) = ( 0.0241006 -0.0369883 -0.0722138), wk = 0.0031250 k( 167) = ( 0.0301258 -0.0462354 -0.0902673), wk = 0.0031250 k( 168) = ( 0.0361510 -0.0554825 -0.1083208), wk = 0.0031250 k( 169) = ( 0.0421761 -0.0647296 -0.1263742), wk = 0.0031250 k( 170) = ( 0.0482013 -0.0739766 -0.1444277), wk = 0.0031250 k( 171) = ( 0.0542265 -0.0832237 -0.1624812), wk = 0.0031250 k( 172) = ( 0.0602516 -0.0924708 -0.1805346), wk = 0.0031250 k( 173) = ( 0.0662768 -0.1017179 -0.1985881), wk = 0.0031250 k( 174) = ( 0.0723019 -0.1109650 -0.2166415), wk = 0.0031250 k( 175) = ( 0.0783271 -0.1202120 -0.2346950), wk = 0.0031250 k( 176) = ( 0.0843523 -0.1294591 -0.2527485), wk = 0.0031250 k( 177) = ( 0.0903774 -0.1387062 -0.2708019), wk = 0.0031250 k( 178) = ( 0.0964026 -0.1479533 -0.2888554), wk = 0.0031250 k( 179) = ( 0.1024277 -0.1572004 -0.3069088), wk = 0.0031250 k( 180) = ( 0.1084529 -0.1664474 -0.3249623), wk = 0.0031250 k( 181) = ( 0.1144781 -0.1756945 -0.3430158), wk = 0.0031250 k( 182) = ( 0.1205032 -0.1849416 -0.3610692), wk = 0.0031250 k( 183) = ( 0.1265284 -0.1941887 -0.3791227), wk = 0.0031250 k( 184) = ( 0.1325535 -0.2034358 -0.3971762), wk = 0.0031250 k( 185) = ( 0.1385787 -0.2126828 -0.4152296), wk = 0.0031250 k( 186) = ( 0.1446039 -0.2219299 -0.4332831), wk = 0.0031250 k( 187) = ( 0.1506290 -0.2311770 -0.4513365), wk = 0.0031250 k( 188) = ( 0.1566542 -0.2404241 -0.4693900), wk = 0.0031250 k( 189) = ( 0.1626793 -0.2496712 -0.4874435), wk = 0.0031250 k( 190) = ( 0.1687045 -0.2589182 -0.5054969), wk = 0.0031250 k( 191) = ( 0.1747297 -0.2681653 -0.5235504), wk = 0.0031250 k( 192) = ( 0.1807548 -0.2774124 -0.5416039), wk = 0.0031250 k( 193) = ( 0.1867800 -0.2866595 -0.5596573), wk = 0.0031250 k( 194) = ( 0.1928052 -0.2959066 -0.5777108), wk = 0.0031250 k( 195) = ( 0.1988303 -0.3051536 -0.5957642), wk = 0.0031250 k( 196) = ( 0.2048555 -0.3144007 -0.6138177), wk = 0.0031250 k( 197) = ( 0.2108806 -0.3236478 -0.6318712), wk = 0.0031250 k( 198) = ( 0.2169058 -0.3328949 -0.6499246), wk = 0.0031250 k( 199) = ( 0.2229309 -0.3421420 -0.6679781), wk = 0.0031250 k( 200) = ( 0.2289561 -0.3513890 -0.6860315), wk = 0.0031250 k( 201) = ( 0.2349813 -0.3606361 -0.7040850), wk = 0.0031250 k( 202) = ( 0.2410064 -0.3698832 -0.7221385), wk = 0.0031250 k( 203) = ( 0.2470316 -0.3791303 -0.7401919), wk = 0.0031250 k( 204) = ( 0.2530568 -0.3883774 -0.7582454), wk = 0.0031250 k( 205) = ( 0.2590819 -0.3976244 -0.7762989), wk = 0.0031250 k( 206) = ( 0.2651071 -0.4068715 -0.7943523), wk = 0.0031250 k( 207) = ( 0.2711322 -0.4161186 -0.8124058), wk = 0.0031250 k( 208) = ( 0.2771574 -0.4253657 -0.8304592), wk = 0.0031250 k( 209) = ( 0.2831826 -0.4346128 -0.8485127), wk = 0.0031250 k( 210) = ( 0.2892077 -0.4438598 -0.8665662), wk = 0.0031250 k( 211) = ( 0.2952329 -0.4531069 -0.8846196), wk = 0.0031250 k( 212) = ( 0.3012580 -0.4623540 -0.9026731), wk = 0.0031250 k( 213) = ( 0.3072832 -0.4716011 -0.9207265), wk = 0.0031250 k( 214) = ( 0.3133084 -0.4808482 -0.9387800), wk = 0.0031250 k( 215) = ( 0.3193335 -0.4900952 -0.9568335), wk = 0.0031250 k( 216) = ( 0.3253587 -0.4993423 -0.9748869), wk = 0.0031250 k( 217) = ( 0.3313838 -0.5085894 -0.9929404), wk = 0.0031250 k( 218) = ( 0.3374090 -0.5178365 -1.0109939), wk = 0.0031250 k( 219) = ( 0.3434342 -0.5270836 -1.0290473), wk = 0.0031250 k( 220) = ( 0.6565658 -0.3785627 -0.9382505), wk = 0.0031250 k( 221) = ( 0.6505441 -0.3582902 -0.9382505), wk = 0.0031250 k( 222) = ( 0.6445223 -0.3380178 -0.9382505), wk = 0.0031250 k( 223) = ( 0.6385005 -0.3177453 -0.9382505), wk = 0.0031250 k( 224) = ( 0.6324788 -0.2974729 -0.9382505), wk = 0.0031250 k( 225) = ( 0.6264570 -0.2772005 -0.9382505), wk = 0.0031250 k( 226) = ( 0.6204352 -0.2569280 -0.9382505), wk = 0.0031250 k( 227) = ( 0.6144135 -0.2366556 -0.9382505), wk = 0.0031250 k( 228) = ( 0.6083917 -0.2163831 -0.9382505), wk = 0.0031250 k( 229) = ( 0.6023700 -0.1961107 -0.9382505), wk = 0.0031250 k( 230) = ( 0.5963482 -0.1758382 -0.9382505), wk = 0.0031250 k( 231) = ( 0.5903264 -0.1555658 -0.9382505), wk = 0.0031250 k( 232) = ( 0.5843047 -0.1352933 -0.9382505), wk = 0.0031250 k( 233) = ( 0.5782829 -0.1150209 -0.9382505), wk = 0.0031250 k( 234) = ( 0.5722611 -0.0947484 -0.9382505), wk = 0.0031250 k( 235) = ( 0.5662394 -0.0744760 -0.9382505), wk = 0.0031250 k( 236) = ( 0.5602176 -0.0542036 -0.9382505), wk = 0.0031250 k( 237) = ( 0.5541959 -0.0339311 -0.9382505), wk = 0.0031250 k( 238) = ( 0.5481741 -0.0136587 -0.9382505), wk = 0.0031250 k( 239) = ( 0.5421523 0.0066138 -0.9382505), wk = 0.0031250 k( 240) = ( 0.5361306 0.0268862 -0.9382505), wk = 0.0031250 k( 241) = ( 0.5301088 0.0471587 -0.9382505), wk = 0.0031250 k( 242) = ( 0.5240870 0.0674311 -0.9382505), wk = 0.0031250 k( 243) = ( 0.5180653 0.0877035 -0.9382505), wk = 0.0031250 k( 244) = ( 0.5120435 0.1079760 -0.9382505), wk = 0.0031250 k( 245) = ( 0.5060218 0.1282484 -0.9382505), wk = 0.0031250 k( 246) = ( 0.5000000 0.1485209 -0.9382505), wk = 0.0031250 k( 247) = ( 0.5000000 0.1485209 -0.9382505), wk = 0.0031250 k( 248) = ( 0.5173962 0.1536883 -0.9281620), wk = 0.0031250 k( 249) = ( 0.5347924 0.1588557 -0.9180735), wk = 0.0031250 k( 250) = ( 0.5521886 0.1640231 -0.9079849), wk = 0.0031250 k( 251) = ( 0.5695848 0.1691905 -0.8978964), wk = 0.0031250 k( 252) = ( 0.5869810 0.1743579 -0.8878079), wk = 0.0031250 k( 253) = ( 0.6043772 0.1795253 -0.8777194), wk = 0.0031250 k( 254) = ( 0.6217734 0.1846927 -0.8676308), wk = 0.0031250 k( 255) = ( 0.6391696 0.1898601 -0.8575423), wk = 0.0031250 k( 256) = ( 0.6565658 0.1950275 -0.8474538), wk = 0.0031250 k( 257) = ( 0.6565658 0.1950275 -0.8474538), wk = 0.0031250 k( 258) = ( 0.6530866 0.1939940 -0.8266038), wk = 0.0031250 k( 259) = ( 0.6496074 0.1929605 -0.8057538), wk = 0.0031250 k( 260) = ( 0.6461281 0.1919270 -0.7849037), wk = 0.0031250 k( 261) = ( 0.6426489 0.1908936 -0.7640537), wk = 0.0031250 k( 262) = ( 0.6391696 0.1898601 -0.7432037), wk = 0.0031250 k( 263) = ( 0.6356904 0.1888266 -0.7223537), wk = 0.0031250 k( 264) = ( 0.6322112 0.1877931 -0.7015037), wk = 0.0031250 k( 265) = ( 0.6287319 0.1867596 -0.6806537), wk = 0.0031250 k( 266) = ( 0.6252527 0.1857262 -0.6598037), wk = 0.0031250 k( 267) = ( 0.6217734 0.1846927 -0.6389537), wk = 0.0031250 k( 268) = ( 0.6182942 0.1836592 -0.6181036), wk = 0.0031250 k( 269) = ( 0.6148149 0.1826257 -0.5972536), wk = 0.0031250 k( 270) = ( 0.6113357 0.1815922 -0.5764036), wk = 0.0031250 k( 271) = ( 0.6078565 0.1805588 -0.5555536), wk = 0.0031250 k( 272) = ( 0.6043772 0.1795253 -0.5347036), wk = 0.0031250 k( 273) = ( 0.6008980 0.1784918 -0.5138536), wk = 0.0031250 k( 274) = ( 0.5974187 0.1774583 -0.4930036), wk = 0.0031250 k( 275) = ( 0.5939395 0.1764248 -0.4721536), wk = 0.0031250 k( 276) = ( 0.5904603 0.1753914 -0.4513036), wk = 0.0031250 k( 277) = ( 0.5869810 0.1743579 -0.4304535), wk = 0.0031250 k( 278) = ( 0.5835018 0.1733244 -0.4096035), wk = 0.0031250 k( 279) = ( 0.5800225 0.1722909 -0.3887535), wk = 0.0031250 k( 280) = ( 0.5765433 0.1712574 -0.3679035), wk = 0.0031250 k( 281) = ( 0.5730641 0.1702240 -0.3470535), wk = 0.0031250 k( 282) = ( 0.5695848 0.1691905 -0.3262035), wk = 0.0031250 k( 283) = ( 0.5661056 0.1681570 -0.3053535), wk = 0.0031250 k( 284) = ( 0.5626263 0.1671235 -0.2845035), wk = 0.0031250 k( 285) = ( 0.5591471 0.1660900 -0.2636534), wk = 0.0031250 k( 286) = ( 0.5556678 0.1650566 -0.2428034), wk = 0.0031250 k( 287) = ( 0.5521886 0.1640231 -0.2219534), wk = 0.0031250 k( 288) = ( 0.5487094 0.1629896 -0.2011034), wk = 0.0031250 k( 289) = ( 0.5452301 0.1619561 -0.1802534), wk = 0.0031250 k( 290) = ( 0.5417509 0.1609226 -0.1594034), wk = 0.0031250 k( 291) = ( 0.5382716 0.1598892 -0.1385534), wk = 0.0031250 k( 292) = ( 0.5347924 0.1588557 -0.1177034), wk = 0.0031250 k( 293) = ( 0.5313132 0.1578222 -0.0968533), wk = 0.0031250 k( 294) = ( 0.5278339 0.1567887 -0.0760033), wk = 0.0031250 k( 295) = ( 0.5243547 0.1557552 -0.0551533), wk = 0.0031250 k( 296) = ( 0.5208754 0.1547218 -0.0343033), wk = 0.0031250 k( 297) = ( 0.5173962 0.1536883 -0.0134533), wk = 0.0031250 k( 298) = ( 0.5139170 0.1526548 0.0073967), wk = 0.0031250 k( 299) = ( 0.5104377 0.1516213 0.0282467), wk = 0.0031250 k( 300) = ( 0.5069585 0.1505878 0.0490968), wk = 0.0031250 k( 301) = ( 0.5034792 0.1495544 0.0699468), wk = 0.0031250 k( 302) = ( 0.5000000 0.1485209 0.0907968), wk = 0.0031250 k( 303) = ( 0.5000000 -0.7673720 -0.4691253), wk = 0.0031250 k( 304) = ( 0.5184195 -0.7586355 -0.4637843), wk = 0.0031250 k( 305) = ( 0.5368390 -0.7498990 -0.4584433), wk = 0.0031250 k( 306) = ( 0.5552585 -0.7411625 -0.4531023), wk = 0.0031250 k( 307) = ( 0.5736780 -0.7324260 -0.4477613), wk = 0.0031250 k( 308) = ( 0.5920975 -0.7236894 -0.4424203), wk = 0.0031250 k( 309) = ( 0.6105171 -0.7149529 -0.4370794), wk = 0.0031250 k( 310) = ( 0.6289366 -0.7062164 -0.4317384), wk = 0.0031250 k( 311) = ( 0.6473561 -0.6974799 -0.4263974), wk = 0.0031250 k( 312) = ( 0.6657756 -0.6887433 -0.4210564), wk = 0.0031250 k( 313) = ( 0.6841951 -0.6800068 -0.4157154), wk = 0.0031250 k( 314) = ( 0.7026146 -0.6712703 -0.4103744), wk = 0.0031250 k( 315) = ( 0.7210341 -0.6625338 -0.4050334), wk = 0.0031250 k( 316) = ( 0.7394536 -0.6537972 -0.3996924), wk = 0.0031250 k( 317) = ( 0.7578731 -0.6450607 -0.3943515), wk = 0.0031250 k( 318) = ( 0.7762926 -0.6363242 -0.3890105), wk = 0.0031250 k( 319) = ( 0.7947121 -0.6275877 -0.3836695), wk = 0.0031250 k( 320) = ( 0.8131317 -0.6188511 -0.3783285), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0102041 0.0000000 0.0000000), wk = 0.0031250 k( 3) = ( 0.0204082 0.0000000 0.0000000), wk = 0.0031250 k( 4) = ( 0.0306122 -0.0000000 0.0000000), wk = 0.0031250 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0031250 k( 7) = ( 0.0612245 -0.0000000 0.0000000), wk = 0.0031250 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0031250 k( 9) = ( 0.0816327 -0.0000000 0.0000000), wk = 0.0031250 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0031250 k( 12) = ( 0.1122449 -0.0000000 0.0000000), wk = 0.0031250 k( 13) = ( 0.1224490 -0.0000000 0.0000000), wk = 0.0031250 k( 14) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0031250 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0031250 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0031250 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0031250 k( 18) = ( 0.1734694 -0.0000000 0.0000000), wk = 0.0031250 k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0031250 k( 20) = ( 0.1938776 -0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0031250 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2244898 -0.0000000 0.0000000), wk = 0.0031250 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0031250 k( 25) = ( 0.2448980 -0.0000000 0.0000000), wk = 0.0031250 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0031250 k( 27) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0031250 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0031250 k( 29) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0031250 k( 30) = ( 0.2959184 -0.0000000 0.0000000), wk = 0.0031250 k( 31) = ( 0.3061224 -0.0000000 0.0000000), wk = 0.0031250 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.3367347 -0.0000000 0.0000000), wk = 0.0031250 k( 35) = ( 0.3469388 -0.0000000 0.0000000), wk = 0.0031250 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0031250 k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0031250 k( 38) = ( 0.3775510 -0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.3877551 -0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.4081633 -0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0031250 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0031250 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0031250 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0031250 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0031250 k( 49) = ( 0.4897959 -0.0000000 0.0000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 0.0060280 -0.0060280), wk = 0.0031250 k( 53) = ( 0.5000000 0.0120560 -0.0120560), wk = 0.0031250 k( 54) = ( 0.5000000 0.0180840 -0.0180840), wk = 0.0031250 k( 55) = ( 0.5000000 0.0241120 -0.0241120), wk = 0.0031250 k( 56) = ( 0.5000000 0.0301401 -0.0301400), wk = 0.0031250 k( 57) = ( 0.5000000 0.0361681 -0.0361681), wk = 0.0031250 k( 58) = ( 0.5000000 0.0421961 -0.0421961), wk = 0.0031250 k( 59) = ( 0.5000000 0.0482241 -0.0482241), wk = 0.0031250 k( 60) = ( 0.5000000 0.0542521 -0.0542521), wk = 0.0031250 k( 61) = ( 0.5000000 0.0602801 -0.0602801), wk = 0.0031250 k( 62) = ( 0.5000000 0.0663081 -0.0663081), wk = 0.0031250 k( 63) = ( 0.5000000 0.0723361 -0.0723361), wk = 0.0031250 k( 64) = ( 0.5000000 0.0783641 -0.0783641), wk = 0.0031250 k( 65) = ( 0.5000000 0.0843921 -0.0843921), wk = 0.0031250 k( 66) = ( 0.5000000 0.0904202 -0.0904202), wk = 0.0031250 k( 67) = ( 0.5000000 0.0964482 -0.0964482), wk = 0.0031250 k( 68) = ( 0.5000000 0.1024762 -0.1024762), wk = 0.0031250 k( 69) = ( 0.5000000 0.1085042 -0.1085042), wk = 0.0031250 k( 70) = ( 0.5000000 0.1145322 -0.1145322), wk = 0.0031250 k( 71) = ( 0.5000000 0.1205602 -0.1205602), wk = 0.0031250 k( 72) = ( 0.5000000 0.1265882 -0.1265882), wk = 0.0031250 k( 73) = ( 0.5000000 0.1326162 -0.1326162), wk = 0.0031250 k( 74) = ( 0.5000000 0.1386443 -0.1386442), wk = 0.0031250 k( 75) = ( 0.5000000 0.1446723 -0.1446723), wk = 0.0031250 k( 76) = ( 0.5000000 0.1507003 -0.1507003), wk = 0.0031250 k( 77) = ( 0.5000000 0.1567283 -0.1567283), wk = 0.0031250 k( 78) = ( 0.5000000 0.1627563 -0.1627563), wk = 0.0031250 k( 79) = ( 0.5000000 0.1687843 -0.1687843), wk = 0.0031250 k( 80) = ( 0.5000000 0.1748123 -0.1748123), wk = 0.0031250 k( 81) = ( 0.5000000 0.1808403 -0.1808403), wk = 0.0031250 k( 82) = ( 0.5000000 0.1868683 -0.1868683), wk = 0.0031250 k( 83) = ( 0.8131317 0.5000000 0.1868683), wk = 0.0031250 k( 84) = ( 0.8071099 0.5000000 0.1928901), wk = 0.0031250 k( 85) = ( 0.8010881 0.5000000 0.1989119), wk = 0.0031250 k( 86) = ( 0.7950664 0.5000000 0.2049336), wk = 0.0031250 k( 87) = ( 0.7890446 0.5000000 0.2109554), wk = 0.0031250 k( 88) = ( 0.7830229 0.5000000 0.2169772), wk = 0.0031250 k( 89) = ( 0.7770011 0.5000000 0.2229989), wk = 0.0031250 k( 90) = ( 0.7709793 0.5000000 0.2290207), wk = 0.0031250 k( 91) = ( 0.7649576 0.5000000 0.2350424), wk = 0.0031250 k( 92) = ( 0.7589358 0.5000000 0.2410642), wk = 0.0031250 k( 93) = ( 0.7529140 0.5000000 0.2470860), wk = 0.0031250 k( 94) = ( 0.7468923 0.5000000 0.2531077), wk = 0.0031250 k( 95) = ( 0.7408705 0.5000000 0.2591295), wk = 0.0031250 k( 96) = ( 0.7348488 0.5000000 0.2651513), wk = 0.0031250 k( 97) = ( 0.7288270 0.5000000 0.2711730), wk = 0.0031250 k( 98) = ( 0.7228052 0.5000000 0.2771948), wk = 0.0031250 k( 99) = ( 0.7167835 0.5000000 0.2832165), wk = 0.0031250 k( 100) = ( 0.7107617 0.5000000 0.2892383), wk = 0.0031250 k( 101) = ( 0.7047399 0.5000000 0.2952601), wk = 0.0031250 k( 102) = ( 0.6987182 0.5000000 0.3012818), wk = 0.0031250 k( 103) = ( 0.6926964 0.5000000 0.3073036), wk = 0.0031250 k( 104) = ( 0.6866747 0.5000000 0.3133254), wk = 0.0031250 k( 105) = ( 0.6806529 0.5000000 0.3193471), wk = 0.0031250 k( 106) = ( 0.6746311 0.5000000 0.3253689), wk = 0.0031250 k( 107) = ( 0.6686094 0.5000000 0.3313906), wk = 0.0031250 k( 108) = ( 0.6625876 0.5000000 0.3374124), wk = 0.0031250 k( 109) = ( 0.6565658 0.5000000 0.3434342), wk = 0.0031250 k( 110) = ( 0.6505441 0.5000000 0.3494559), wk = 0.0031250 k( 111) = ( 0.6445223 0.5000000 0.3554777), wk = 0.0031250 k( 112) = ( 0.6385005 0.5000000 0.3614995), wk = 0.0031250 k( 113) = ( 0.6324788 0.5000000 0.3675212), wk = 0.0031250 k( 114) = ( 0.6264570 0.5000000 0.3735430), wk = 0.0031250 k( 115) = ( 0.6204352 0.5000000 0.3795647), wk = 0.0031250 k( 116) = ( 0.6144135 0.5000000 0.3855865), wk = 0.0031250 k( 117) = ( 0.6083917 0.5000000 0.3916083), wk = 0.0031250 k( 118) = ( 0.6023700 0.5000000 0.3976300), wk = 0.0031250 k( 119) = ( 0.5963482 0.5000000 0.4036518), wk = 0.0031250 k( 120) = ( 0.5903264 0.5000000 0.4096736), wk = 0.0031250 k( 121) = ( 0.5843047 0.5000000 0.4156953), wk = 0.0031250 k( 122) = ( 0.5782829 0.5000000 0.4217171), wk = 0.0031250 k( 123) = ( 0.5722611 0.5000000 0.4277389), wk = 0.0031250 k( 124) = ( 0.5662394 0.5000000 0.4337606), wk = 0.0031250 k( 125) = ( 0.5602176 0.5000000 0.4397824), wk = 0.0031250 k( 126) = ( 0.5541959 0.5000000 0.4458041), wk = 0.0031250 k( 127) = ( 0.5481741 0.5000000 0.4518259), wk = 0.0031250 k( 128) = ( 0.5421523 0.5000000 0.4578477), wk = 0.0031250 k( 129) = ( 0.5361306 0.5000000 0.4638694), wk = 0.0031250 k( 130) = ( 0.5301088 0.5000000 0.4698912), wk = 0.0031250 k( 131) = ( 0.5240870 0.5000000 0.4759130), wk = 0.0031250 k( 132) = ( 0.5180653 0.5000000 0.4819347), wk = 0.0031250 k( 133) = ( 0.5120435 0.5000000 0.4879565), wk = 0.0031250 k( 134) = ( 0.5060218 0.5000000 0.4939782), wk = 0.0031250 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 137) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0031250 k( 138) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0031250 k( 139) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0031250 k( 140) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0031250 k( 141) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031250 k( 142) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0031250 k( 143) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0031250 k( 144) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0031250 k( 145) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0031250 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031250 k( 147) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0031250 k( 148) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0031250 k( 149) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0031250 k( 150) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0031250 k( 151) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031250 k( 152) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0031250 k( 153) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0031250 k( 154) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0031250 k( 155) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0031250 k( 156) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031250 k( 157) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0031250 k( 158) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0031250 k( 159) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0031250 k( 160) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0031250 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 163) = ( 0.0060252 0.0000000 -0.0060252), wk = 0.0031250 k( 164) = ( 0.0120503 0.0000000 -0.0120503), wk = 0.0031250 k( 165) = ( 0.0180755 -0.0000000 -0.0180755), wk = 0.0031250 k( 166) = ( 0.0241006 0.0000000 -0.0241006), wk = 0.0031250 k( 167) = ( 0.0301258 -0.0000000 -0.0301258), wk = 0.0031250 k( 168) = ( 0.0361510 0.0000000 -0.0361510), wk = 0.0031250 k( 169) = ( 0.0421761 -0.0000000 -0.0421761), wk = 0.0031250 k( 170) = ( 0.0482013 -0.0000000 -0.0482013), wk = 0.0031250 k( 171) = ( 0.0542265 0.0000000 -0.0542264), wk = 0.0031250 k( 172) = ( 0.0602516 0.0000000 -0.0602516), wk = 0.0031250 k( 173) = ( 0.0662768 0.0000000 -0.0662768), wk = 0.0031250 k( 174) = ( 0.0723019 0.0000000 -0.0723019), wk = 0.0031250 k( 175) = ( 0.0783271 -0.0000000 -0.0783271), wk = 0.0031250 k( 176) = ( 0.0843523 -0.0000000 -0.0843522), wk = 0.0031250 k( 177) = ( 0.0903774 -0.0000000 -0.0903774), wk = 0.0031250 k( 178) = ( 0.0964026 0.0000000 -0.0964026), wk = 0.0031250 k( 179) = ( 0.1024277 0.0000000 -0.1024277), wk = 0.0031250 k( 180) = ( 0.1084529 0.0000000 -0.1084529), wk = 0.0031250 k( 181) = ( 0.1144781 0.0000000 -0.1144781), wk = 0.0031250 k( 182) = ( 0.1205032 0.0000000 -0.1205032), wk = 0.0031250 k( 183) = ( 0.1265284 -0.0000000 -0.1265284), wk = 0.0031250 k( 184) = ( 0.1325535 0.0000000 -0.1325535), wk = 0.0031250 k( 185) = ( 0.1385787 -0.0000000 -0.1385787), wk = 0.0031250 k( 186) = ( 0.1446039 0.0000000 -0.1446039), wk = 0.0031250 k( 187) = ( 0.1506290 0.0000000 -0.1506290), wk = 0.0031250 k( 188) = ( 0.1566542 -0.0000000 -0.1566542), wk = 0.0031250 k( 189) = ( 0.1626793 -0.0000000 -0.1626793), wk = 0.0031250 k( 190) = ( 0.1687045 -0.0000000 -0.1687045), wk = 0.0031250 k( 191) = ( 0.1747297 0.0000000 -0.1747297), wk = 0.0031250 k( 192) = ( 0.1807548 0.0000000 -0.1807548), wk = 0.0031250 k( 193) = ( 0.1867800 -0.0000000 -0.1867800), wk = 0.0031250 k( 194) = ( 0.1928052 0.0000000 -0.1928051), wk = 0.0031250 k( 195) = ( 0.1988303 -0.0000000 -0.1988303), wk = 0.0031250 k( 196) = ( 0.2048555 -0.0000000 -0.2048555), wk = 0.0031250 k( 197) = ( 0.2108806 0.0000000 -0.2108806), wk = 0.0031250 k( 198) = ( 0.2169058 0.0000000 -0.2169058), wk = 0.0031250 k( 199) = ( 0.2229309 0.0000000 -0.2229309), wk = 0.0031250 k( 200) = ( 0.2289561 -0.0000000 -0.2289561), wk = 0.0031250 k( 201) = ( 0.2349813 0.0000000 -0.2349813), wk = 0.0031250 k( 202) = ( 0.2410064 -0.0000000 -0.2410064), wk = 0.0031250 k( 203) = ( 0.2470316 -0.0000000 -0.2470316), wk = 0.0031250 k( 204) = ( 0.2530568 -0.0000000 -0.2530568), wk = 0.0031250 k( 205) = ( 0.2590819 -0.0000000 -0.2590819), wk = 0.0031250 k( 206) = ( 0.2651071 0.0000000 -0.2651071), wk = 0.0031250 k( 207) = ( 0.2711322 0.0000000 -0.2711322), wk = 0.0031250 k( 208) = ( 0.2771574 -0.0000000 -0.2771574), wk = 0.0031250 k( 209) = ( 0.2831826 -0.0000000 -0.2831826), wk = 0.0031250 k( 210) = ( 0.2892077 0.0000000 -0.2892077), wk = 0.0031250 k( 211) = ( 0.2952329 0.0000000 -0.2952329), wk = 0.0031250 k( 212) = ( 0.3012580 0.0000000 -0.3012580), wk = 0.0031250 k( 213) = ( 0.3072832 -0.0000000 -0.3072832), wk = 0.0031250 k( 214) = ( 0.3133084 -0.0000000 -0.3133084), wk = 0.0031250 k( 215) = ( 0.3193335 -0.0000000 -0.3193335), wk = 0.0031250 k( 216) = ( 0.3253587 -0.0000000 -0.3253587), wk = 0.0031250 k( 217) = ( 0.3313838 -0.0000000 -0.3313838), wk = 0.0031250 k( 218) = ( 0.3374090 -0.0000000 -0.3374090), wk = 0.0031250 k( 219) = ( 0.3434342 0.0000000 -0.3434342), wk = 0.0031250 k( 220) = ( 0.6565658 0.3434342 0.0000000), wk = 0.0031250 k( 221) = ( 0.6505441 0.3494559 0.0000000), wk = 0.0031250 k( 222) = ( 0.6445223 0.3554777 0.0000000), wk = 0.0031250 k( 223) = ( 0.6385005 0.3614995 0.0000000), wk = 0.0031250 k( 224) = ( 0.6324788 0.3675212 0.0000000), wk = 0.0031250 k( 225) = ( 0.6264570 0.3735430 0.0000000), wk = 0.0031250 k( 226) = ( 0.6204352 0.3795648 0.0000000), wk = 0.0031250 k( 227) = ( 0.6144135 0.3855865 0.0000000), wk = 0.0031250 k( 228) = ( 0.6083917 0.3916083 0.0000000), wk = 0.0031250 k( 229) = ( 0.6023700 0.3976300 0.0000000), wk = 0.0031250 k( 230) = ( 0.5963482 0.4036518 0.0000000), wk = 0.0031250 k( 231) = ( 0.5903264 0.4096736 0.0000000), wk = 0.0031250 k( 232) = ( 0.5843047 0.4156953 0.0000000), wk = 0.0031250 k( 233) = ( 0.5782829 0.4217171 0.0000000), wk = 0.0031250 k( 234) = ( 0.5722611 0.4277389 0.0000000), wk = 0.0031250 k( 235) = ( 0.5662394 0.4337606 0.0000000), wk = 0.0031250 k( 236) = ( 0.5602176 0.4397824 0.0000000), wk = 0.0031250 k( 237) = ( 0.5541959 0.4458041 0.0000000), wk = 0.0031250 k( 238) = ( 0.5481741 0.4518259 0.0000000), wk = 0.0031250 k( 239) = ( 0.5421523 0.4578477 0.0000000), wk = 0.0031250 k( 240) = ( 0.5361306 0.4638694 0.0000000), wk = 0.0031250 k( 241) = ( 0.5301088 0.4698912 0.0000000), wk = 0.0031250 k( 242) = ( 0.5240870 0.4759130 0.0000000), wk = 0.0031250 k( 243) = ( 0.5180653 0.4819347 0.0000000), wk = 0.0031250 k( 244) = ( 0.5120435 0.4879565 -0.0000000), wk = 0.0031250 k( 245) = ( 0.5060218 0.4939782 -0.0000000), wk = 0.0031250 k( 246) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031250 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031250 k( 248) = ( 0.5173962 0.5173962 0.0207632), wk = 0.0031250 k( 249) = ( 0.5347924 0.5347924 0.0415263), wk = 0.0031250 k( 250) = ( 0.5521886 0.5521886 0.0622895), wk = 0.0031250 k( 251) = ( 0.5695848 0.5695848 0.0830526), wk = 0.0031250 k( 252) = ( 0.5869810 0.5869810 0.1038157), wk = 0.0031250 k( 253) = ( 0.6043772 0.6043772 0.1245789), wk = 0.0031250 k( 254) = ( 0.6217734 0.6217734 0.1453420), wk = 0.0031250 k( 255) = ( 0.6391696 0.6391696 0.1661052), wk = 0.0031250 k( 256) = ( 0.6565658 0.6565658 0.1868683), wk = 0.0031250 k( 257) = ( 0.6565658 0.6565658 0.1868683), wk = 0.0031250 k( 258) = ( 0.6530866 0.6530866 0.1938268), wk = 0.0031250 k( 259) = ( 0.6496074 0.6496074 0.2007853), wk = 0.0031250 k( 260) = ( 0.6461281 0.6461281 0.2077438), wk = 0.0031250 k( 261) = ( 0.6426489 0.6426489 0.2147023), wk = 0.0031250 k( 262) = ( 0.6391696 0.6391696 0.2216607), wk = 0.0031250 k( 263) = ( 0.6356904 0.6356904 0.2286192), wk = 0.0031250 k( 264) = ( 0.6322112 0.6322112 0.2355777), wk = 0.0031250 k( 265) = ( 0.6287319 0.6287319 0.2425362), wk = 0.0031250 k( 266) = ( 0.6252527 0.6252527 0.2494947), wk = 0.0031250 k( 267) = ( 0.6217734 0.6217734 0.2564532), wk = 0.0031250 k( 268) = ( 0.6182942 0.6182942 0.2634116), wk = 0.0031250 k( 269) = ( 0.6148149 0.6148149 0.2703701), wk = 0.0031250 k( 270) = ( 0.6113357 0.6113357 0.2773286), wk = 0.0031250 k( 271) = ( 0.6078565 0.6078565 0.2842871), wk = 0.0031250 k( 272) = ( 0.6043772 0.6043772 0.2912456), wk = 0.0031250 k( 273) = ( 0.6008980 0.6008980 0.2982040), wk = 0.0031250 k( 274) = ( 0.5974187 0.5974187 0.3051625), wk = 0.0031250 k( 275) = ( 0.5939395 0.5939395 0.3121210), wk = 0.0031250 k( 276) = ( 0.5904603 0.5904603 0.3190795), wk = 0.0031250 k( 277) = ( 0.5869810 0.5869810 0.3260380), wk = 0.0031250 k( 278) = ( 0.5835018 0.5835018 0.3329964), wk = 0.0031250 k( 279) = ( 0.5800225 0.5800225 0.3399549), wk = 0.0031250 k( 280) = ( 0.5765433 0.5765433 0.3469134), wk = 0.0031250 k( 281) = ( 0.5730641 0.5730641 0.3538719), wk = 0.0031250 k( 282) = ( 0.5695848 0.5695848 0.3608304), wk = 0.0031250 k( 283) = ( 0.5661056 0.5661056 0.3677889), wk = 0.0031250 k( 284) = ( 0.5626263 0.5626263 0.3747473), wk = 0.0031250 k( 285) = ( 0.5591471 0.5591471 0.3817058), wk = 0.0031250 k( 286) = ( 0.5556678 0.5556678 0.3886643), wk = 0.0031250 k( 287) = ( 0.5521886 0.5521886 0.3956228), wk = 0.0031250 k( 288) = ( 0.5487094 0.5487094 0.4025813), wk = 0.0031250 k( 289) = ( 0.5452301 0.5452301 0.4095397), wk = 0.0031250 k( 290) = ( 0.5417509 0.5417509 0.4164982), wk = 0.0031250 k( 291) = ( 0.5382716 0.5382716 0.4234567), wk = 0.0031250 k( 292) = ( 0.5347924 0.5347924 0.4304152), wk = 0.0031250 k( 293) = ( 0.5313132 0.5313132 0.4373737), wk = 0.0031250 k( 294) = ( 0.5278339 0.5278339 0.4443321), wk = 0.0031250 k( 295) = ( 0.5243547 0.5243547 0.4512906), wk = 0.0031250 k( 296) = ( 0.5208754 0.5208754 0.4582491), wk = 0.0031250 k( 297) = ( 0.5173962 0.5173962 0.4652076), wk = 0.0031250 k( 298) = ( 0.5139170 0.5139170 0.4721661), wk = 0.0031250 k( 299) = ( 0.5104377 0.5104377 0.4791246), wk = 0.0031250 k( 300) = ( 0.5069585 0.5069585 0.4860830), wk = 0.0031250 k( 301) = ( 0.5034792 0.5034792 0.4930415), wk = 0.0031250 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 303) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 304) = ( 0.5184195 0.0202020 0.0202020), wk = 0.0031250 k( 305) = ( 0.5368390 0.0404040 0.0404040), wk = 0.0031250 k( 306) = ( 0.5552585 0.0606060 0.0606060), wk = 0.0031250 k( 307) = ( 0.5736780 0.0808080 0.0808080), wk = 0.0031250 k( 308) = ( 0.5920975 0.1010100 0.1010101), wk = 0.0031250 k( 309) = ( 0.6105171 0.1212121 0.1212121), wk = 0.0031250 k( 310) = ( 0.6289366 0.1414141 0.1414141), wk = 0.0031250 k( 311) = ( 0.6473561 0.1616161 0.1616161), wk = 0.0031250 k( 312) = ( 0.6657756 0.1818181 0.1818181), wk = 0.0031250 k( 313) = ( 0.6841951 0.2020201 0.2020201), wk = 0.0031250 k( 314) = ( 0.7026146 0.2222221 0.2222221), wk = 0.0031250 k( 315) = ( 0.7210341 0.2424241 0.2424241), wk = 0.0031250 k( 316) = ( 0.7394536 0.2626261 0.2626261), wk = 0.0031250 k( 317) = ( 0.7578731 0.2828281 0.2828281), wk = 0.0031250 k( 318) = ( 0.7762926 0.3030301 0.3030301), wk = 0.0031250 k( 319) = ( 0.7947121 0.3232322 0.3232322), wk = 0.0031250 k( 320) = ( 0.8131317 0.3434342 0.3434342), wk = 0.0031250 Dense grid: 52323 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 25271 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 176, 58) NL pseudopotentials 0.17 Mb ( 88, 124) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1453) G-vector shells 0.01 Mb ( 1211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 176, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./YOF.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 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 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.8 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.5 secs Computing kpt #: 21 total cpu time spent up to now is 16.2 secs Computing kpt #: 22 total cpu time spent up to now is 16.8 secs Computing kpt #: 23 total cpu time spent up to now is 17.4 secs Computing kpt #: 24 total cpu time spent up to now is 18.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.7 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 20.0 secs Computing kpt #: 28 total cpu time spent up to now is 20.6 secs Computing kpt #: 29 total cpu time spent up to now is 21.3 secs Computing kpt #: 30 total cpu time spent up to now is 21.9 secs Computing kpt #: 31 total cpu time spent up to now is 22.6 secs Computing kpt #: 32 total cpu time spent up to now is 23.2 secs Computing kpt #: 33 total cpu time spent up to now is 23.9 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.2 secs Computing kpt #: 36 total cpu time spent up to now is 25.9 secs Computing kpt #: 37 total cpu time spent up to now is 26.5 secs Computing kpt #: 38 total cpu time spent up to now is 27.2 secs Computing kpt #: 39 total cpu time spent up to now is 27.9 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.2 secs Computing kpt #: 42 total cpu time spent up to now is 29.8 secs Computing kpt #: 43 total cpu time spent up to now is 30.5 secs Computing kpt #: 44 total cpu time spent up to now is 31.2 secs Computing kpt #: 45 total cpu time spent up to now is 31.8 secs Computing kpt #: 46 total cpu time spent up to now is 32.5 secs Computing kpt #: 47 total cpu time spent up to now is 33.2 secs Computing kpt #: 48 total cpu time spent up to now is 33.8 secs Computing kpt #: 49 total cpu time spent up to now is 34.5 secs Computing kpt #: 50 total cpu time spent up to now is 35.2 secs Computing kpt #: 51 total cpu time spent up to now is 35.8 secs Computing kpt #: 52 total cpu time spent up to now is 36.5 secs Computing kpt #: 53 total cpu time spent up to now is 37.2 secs Computing kpt #: 54 total cpu time spent up to now is 37.9 secs Computing kpt #: 55 total cpu time spent up to now is 38.6 secs Computing kpt #: 56 total cpu time spent up to now is 39.3 secs Computing kpt #: 57 total cpu time spent up to now is 40.0 secs Computing kpt #: 58 total cpu time spent up to now is 40.7 secs Computing kpt #: 59 total cpu time spent up to now is 41.4 secs Computing kpt #: 60 total cpu time spent up to now is 42.1 secs Computing kpt #: 61 total cpu time spent up to now is 42.8 secs Computing kpt #: 62 total cpu time spent up to now is 43.5 secs Computing kpt #: 63 total cpu time spent up to now is 44.2 secs Computing kpt #: 64 total cpu time spent up to now is 44.8 secs Computing kpt #: 65 total cpu time spent up to now is 45.5 secs Computing kpt #: 66 total cpu time spent up to now is 46.2 secs Computing kpt #: 67 total cpu time spent up to now is 46.9 secs Computing kpt #: 68 total cpu time spent up to now is 47.6 secs Computing kpt #: 69 total cpu time spent up to now is 48.2 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.6 secs Computing kpt #: 72 total cpu time spent up to now is 50.3 secs Computing kpt #: 73 total cpu time spent up to now is 51.0 secs Computing kpt #: 74 total cpu time spent up to now is 51.6 secs Computing kpt #: 75 total cpu time spent up to now is 52.3 secs Computing kpt #: 76 total cpu time spent up to now is 53.0 secs Computing kpt #: 77 total cpu time spent up to now is 53.8 secs Computing kpt #: 78 total cpu time spent up to now is 54.5 secs Computing kpt #: 79 total cpu time spent up to now is 55.3 secs Computing kpt #: 80 total cpu time spent up to now is 56.1 secs Computing kpt #: 81 total cpu time spent up to now is 56.9 secs Computing kpt #: 82 total cpu time spent up to now is 57.7 secs Computing kpt #: 83 total cpu time spent up to now is 58.6 secs Computing kpt #: 84 total cpu time spent up to now is 59.4 secs Computing kpt #: 85 total cpu time spent up to now is 60.2 secs Computing kpt #: 86 total cpu time spent up to now is 61.0 secs Computing kpt #: 87 total cpu time spent up to now is 61.8 secs Computing kpt #: 88 total cpu time spent up to now is 62.6 secs Computing kpt #: 89 total cpu time spent up to now is 63.4 secs Computing kpt #: 90 total cpu time spent up to now is 64.2 secs Computing kpt #: 91 total cpu time spent up to now is 65.0 secs Computing kpt #: 92 total cpu time spent up to now is 65.7 secs Computing kpt #: 93 total cpu time spent up to now is 66.4 secs Computing kpt #: 94 total cpu time spent up to now is 67.1 secs Computing kpt #: 95 total cpu time spent up to now is 67.8 secs Computing kpt #: 96 total cpu time spent up to now is 68.5 secs Computing kpt #: 97 total cpu time spent up to now is 69.1 secs Computing kpt #: 98 total cpu time spent up to now is 69.8 secs Computing kpt #: 99 total cpu time spent up to now is 70.5 secs Computing kpt #: 100 total cpu time spent up to now is 71.2 secs Computing kpt #: 101 total cpu time spent up to now is 71.8 secs Computing kpt #: 102 total cpu time spent up to now is 72.5 secs Computing kpt #: 103 total cpu time spent up to now is 73.1 secs Computing kpt #: 104 total cpu time spent up to now is 73.8 secs Computing kpt #: 105 total cpu time spent up to now is 74.4 secs Computing kpt #: 106 total cpu time spent up to now is 75.1 secs Computing kpt #: 107 total cpu time spent up to now is 75.7 secs Computing kpt #: 108 total cpu time spent up to now is 76.4 secs Computing kpt #: 109 total cpu time spent up to now is 77.5 secs Computing kpt #: 110 total cpu time spent up to now is 78.2 secs Computing kpt #: 111 total cpu time spent up to now is 78.8 secs Computing kpt #: 112 total cpu time spent up to now is 79.5 secs Computing kpt #: 113 total cpu time spent up to now is 80.3 secs Computing kpt #: 114 total cpu time spent up to now is 81.2 secs Computing kpt #: 115 total cpu time spent up to now is 82.0 secs Computing kpt #: 116 total cpu time spent up to now is 82.8 secs Computing kpt #: 117 total cpu time spent up to now is 83.6 secs Computing kpt #: 118 total cpu time spent up to now is 84.4 secs Computing kpt #: 119 total cpu time spent up to now is 85.2 secs Computing kpt #: 120 total cpu time spent up to now is 85.9 secs Computing kpt #: 121 total cpu time spent up to now is 86.5 secs Computing kpt #: 122 total cpu time spent up to now is 87.2 secs Computing kpt #: 123 total cpu time spent up to now is 87.8 secs Computing kpt #: 124 total cpu time spent up to now is 88.5 secs Computing kpt #: 125 total cpu time spent up to now is 89.1 secs Computing kpt #: 126 total cpu time spent up to now is 89.8 secs Computing kpt #: 127 total cpu time spent up to now is 90.4 secs Computing kpt #: 128 total cpu time spent up to now is 91.0 secs Computing kpt #: 129 total cpu time spent up to now is 91.6 secs Computing kpt #: 130 total cpu time spent up to now is 92.2 secs Computing kpt #: 131 total cpu time spent up to now is 92.8 secs Computing kpt #: 132 total cpu time spent up to now is 93.4 secs Computing kpt #: 133 total cpu time spent up to now is 94.0 secs Computing kpt #: 134 total cpu time spent up to now is 94.6 secs Computing kpt #: 135 total cpu time spent up to now is 95.2 secs Computing kpt #: 136 total cpu time spent up to now is 95.8 secs Computing kpt #: 137 total cpu time spent up to now is 96.4 secs Computing kpt #: 138 total cpu time spent up to now is 97.1 secs Computing kpt #: 139 total cpu time spent up to now is 97.7 secs Computing kpt #: 140 total cpu time spent up to now is 98.3 secs Computing kpt #: 141 total cpu time spent up to now is 99.0 secs Computing kpt #: 142 total cpu time spent up to now is 99.6 secs Computing kpt #: 143 total cpu time spent up to now is 100.3 secs Computing kpt #: 144 total cpu time spent up to now is 101.0 secs Computing kpt #: 145 total cpu time spent up to now is 101.6 secs Computing kpt #: 146 total cpu time spent up to now is 102.3 secs Computing kpt #: 147 total cpu time spent up to now is 102.9 secs Computing kpt #: 148 total cpu time spent up to now is 103.6 secs Computing kpt #: 149 total cpu time spent up to now is 104.2 secs Computing kpt #: 150 total cpu time spent up to now is 104.8 secs Computing kpt #: 151 total cpu time spent up to now is 105.5 secs Computing kpt #: 152 total cpu time spent up to now is 106.1 secs Computing kpt #: 153 total cpu time spent up to now is 106.7 secs Computing kpt #: 154 total cpu time spent up to now is 107.4 secs Computing kpt #: 155 total cpu time spent up to now is 108.0 secs Computing kpt #: 156 total cpu time spent up to now is 108.6 secs Computing kpt #: 157 total cpu time spent up to now is 109.2 secs Computing kpt #: 158 total cpu time spent up to now is 109.8 secs Computing kpt #: 159 total cpu time spent up to now is 110.4 secs Computing kpt #: 160 total cpu time spent up to now is 111.0 secs Computing kpt #: 161 total cpu time spent up to now is 111.6 secs Computing kpt #: 162 total cpu time spent up to now is 112.2 secs Computing kpt #: 163 total cpu time spent up to now is 112.9 secs Computing kpt #: 164 total cpu time spent up to now is 113.5 secs Computing kpt #: 165 total cpu time spent up to now is 114.1 secs Computing kpt #: 166 total cpu time spent up to now is 114.7 secs Computing kpt #: 167 total cpu time spent up to now is 115.4 secs Computing kpt #: 168 total cpu time spent up to now is 116.0 secs Computing kpt #: 169 total cpu time spent up to now is 116.7 secs Computing kpt #: 170 total cpu time spent up to now is 117.3 secs Computing kpt #: 171 total cpu time spent up to now is 117.9 secs Computing kpt #: 172 total cpu time spent up to now is 118.6 secs Computing kpt #: 173 total cpu time spent up to now is 119.2 secs Computing kpt #: 174 total cpu time spent up to now is 119.9 secs Computing kpt #: 175 total cpu time spent up to now is 120.5 secs Computing kpt #: 176 total cpu time spent up to now is 121.1 secs Computing kpt #: 177 total cpu time spent up to now is 121.8 secs Computing kpt #: 178 total cpu time spent up to now is 122.4 secs Computing kpt #: 179 total cpu time spent up to now is 123.0 secs Computing kpt #: 180 total cpu time spent up to now is 123.7 secs Computing kpt #: 181 total cpu time spent up to now is 124.3 secs Computing kpt #: 182 total cpu time spent up to now is 125.0 secs Computing kpt #: 183 total cpu time spent up to now is 125.6 secs Computing kpt #: 184 total cpu time spent up to now is 126.3 secs Computing kpt #: 185 total cpu time spent up to now is 126.9 secs Computing kpt #: 186 total cpu time spent up to now is 127.6 secs Computing kpt #: 187 total cpu time spent up to now is 128.2 secs Computing kpt #: 188 total cpu time spent up to now is 128.9 secs Computing kpt #: 189 total cpu time spent up to now is 129.5 secs Computing kpt #: 190 total cpu time spent up to now is 130.2 secs Computing kpt #: 191 total cpu time spent up to now is 130.8 secs Computing kpt #: 192 total cpu time spent up to now is 131.5 secs Computing kpt #: 193 total cpu time spent up to now is 132.1 secs Computing kpt #: 194 total cpu time spent up to now is 132.8 secs Computing kpt #: 195 total cpu time spent up to now is 133.4 secs Computing kpt #: 196 total cpu time spent up to now is 134.1 secs Computing kpt #: 197 total cpu time spent up to now is 134.8 secs Computing kpt #: 198 total cpu time spent up to now is 135.4 secs Computing kpt #: 199 total cpu time spent up to now is 136.1 secs Computing kpt #: 200 total cpu time spent up to now is 136.7 secs Computing kpt #: 201 total cpu time spent up to now is 137.4 secs Computing kpt #: 202 total cpu time spent up to now is 138.1 secs Computing kpt #: 203 total cpu time spent up to now is 138.7 secs Computing kpt #: 204 total cpu time spent up to now is 139.4 secs Computing kpt #: 205 total cpu time spent up to now is 140.1 secs Computing kpt #: 206 total cpu time spent up to now is 140.8 secs Computing kpt #: 207 total cpu time spent up to now is 141.5 secs Computing kpt #: 208 total cpu time spent up to now is 142.2 secs Computing kpt #: 209 total cpu time spent up to now is 142.9 secs Computing kpt #: 210 total cpu time spent up to now is 143.8 secs Computing kpt #: 211 total cpu time spent up to now is 144.8 secs Computing kpt #: 212 total cpu time spent up to now is 145.5 secs Computing kpt #: 213 total cpu time spent up to now is 146.2 secs Computing kpt #: 214 total cpu time spent up to now is 146.9 secs Computing kpt #: 215 total cpu time spent up to now is 147.7 secs Computing kpt #: 216 total cpu time spent up to now is 148.5 secs Computing kpt #: 217 total cpu time spent up to now is 149.2 secs Computing kpt #: 218 total cpu time spent up to now is 150.0 secs Computing kpt #: 219 total cpu time spent up to now is 150.8 secs Computing kpt #: 220 total cpu time spent up to now is 151.6 secs Computing kpt #: 221 total cpu time spent up to now is 152.4 secs Computing kpt #: 222 total cpu time spent up to now is 153.2 secs Computing kpt #: 223 total cpu time spent up to now is 154.0 secs Computing kpt #: 224 total cpu time spent up to now is 154.8 secs Computing kpt #: 225 total cpu time spent up to now is 155.6 secs Computing kpt #: 226 total cpu time spent up to now is 156.4 secs Computing kpt #: 227 total cpu time spent up to now is 157.7 secs Computing kpt #: 228 total cpu time spent up to now is 158.5 secs Computing kpt #: 229 total cpu time spent up to now is 159.3 secs Computing kpt #: 230 total cpu time spent up to now is 160.1 secs Computing kpt #: 231 total cpu time spent up to now is 160.9 secs Computing kpt #: 232 total cpu time spent up to now is 161.7 secs Computing kpt #: 233 total cpu time spent up to now is 162.5 secs Computing kpt #: 234 total cpu time spent up to now is 163.3 secs Computing kpt #: 235 total cpu time spent up to now is 164.2 secs Computing kpt #: 236 total cpu time spent up to now is 165.0 secs Computing kpt #: 237 total cpu time spent up to now is 165.8 secs Computing kpt #: 238 total cpu time spent up to now is 166.6 secs Computing kpt #: 239 total cpu time spent up to now is 167.4 secs Computing kpt #: 240 total cpu time spent up to now is 168.2 secs Computing kpt #: 241 total cpu time spent up to now is 169.0 secs Computing kpt #: 242 total cpu time spent up to now is 169.8 secs Computing kpt #: 243 total cpu time spent up to now is 170.6 secs Computing kpt #: 244 total cpu time spent up to now is 171.4 secs Computing kpt #: 245 total cpu time spent up to now is 172.2 secs Computing kpt #: 246 total cpu time spent up to now is 173.0 secs Computing kpt #: 247 total cpu time spent up to now is 173.8 secs Computing kpt #: 248 total cpu time spent up to now is 174.6 secs Computing kpt #: 249 total cpu time spent up to now is 175.4 secs Computing kpt #: 250 total cpu time spent up to now is 176.2 secs Computing kpt #: 251 total cpu time spent up to now is 177.1 secs Computing kpt #: 252 total cpu time spent up to now is 177.9 secs Computing kpt #: 253 total cpu time spent up to now is 178.7 secs Computing kpt #: 254 total cpu time spent up to now is 179.5 secs Computing kpt #: 255 total cpu time spent up to now is 180.3 secs Computing kpt #: 256 total cpu time spent up to now is 181.1 secs Computing kpt #: 257 total cpu time spent up to now is 181.9 secs Computing kpt #: 258 total cpu time spent up to now is 182.7 secs Computing kpt #: 259 total cpu time spent up to now is 183.5 secs Computing kpt #: 260 total cpu time spent up to now is 184.3 secs Computing kpt #: 261 total cpu time spent up to now is 185.1 secs Computing kpt #: 262 total cpu time spent up to now is 185.9 secs Computing kpt #: 263 total cpu time spent up to now is 186.7 secs Computing kpt #: 264 total cpu time spent up to now is 187.4 secs Computing kpt #: 265 total cpu time spent up to now is 188.2 secs Computing kpt #: 266 total cpu time spent up to now is 188.9 secs Computing kpt #: 267 total cpu time spent up to now is 189.6 secs Computing kpt #: 268 total cpu time spent up to now is 190.3 secs Computing kpt #: 269 total cpu time spent up to now is 190.9 secs Computing kpt #: 270 total cpu time spent up to now is 191.6 secs Computing kpt #: 271 total cpu time spent up to now is 192.3 secs Computing kpt #: 272 total cpu time spent up to now is 193.1 secs Computing kpt #: 273 total cpu time spent up to now is 193.9 secs Computing kpt #: 274 total cpu time spent up to now is 194.6 secs Computing kpt #: 275 total cpu time spent up to now is 195.4 secs Computing kpt #: 276 total cpu time spent up to now is 196.2 secs Computing kpt #: 277 total cpu time spent up to now is 197.0 secs Computing kpt #: 278 total cpu time spent up to now is 197.8 secs Computing kpt #: 279 total cpu time spent up to now is 198.6 secs Computing kpt #: 280 total cpu time spent up to now is 199.4 secs Computing kpt #: 281 total cpu time spent up to now is 200.2 secs Computing kpt #: 282 total cpu time spent up to now is 201.1 secs Computing kpt #: 283 total cpu time spent up to now is 201.9 secs Computing kpt #: 284 total cpu time spent up to now is 202.7 secs Computing kpt #: 285 total cpu time spent up to now is 203.6 secs Computing kpt #: 286 total cpu time spent up to now is 204.3 secs Computing kpt #: 287 total cpu time spent up to now is 205.0 secs Computing kpt #: 288 total cpu time spent up to now is 205.8 secs Computing kpt #: 289 total cpu time spent up to now is 206.4 secs Computing kpt #: 290 total cpu time spent up to now is 207.1 secs Computing kpt #: 291 total cpu time spent up to now is 207.7 secs Computing kpt #: 292 total cpu time spent up to now is 208.3 secs Computing kpt #: 293 total cpu time spent up to now is 209.0 secs Computing kpt #: 294 total cpu time spent up to now is 209.6 secs Computing kpt #: 295 total cpu time spent up to now is 210.2 secs Computing kpt #: 296 total cpu time spent up to now is 210.8 secs Computing kpt #: 297 total cpu time spent up to now is 211.4 secs Computing kpt #: 298 total cpu time spent up to now is 212.0 secs Computing kpt #: 299 total cpu time spent up to now is 212.6 secs Computing kpt #: 300 total cpu time spent up to now is 213.2 secs Computing kpt #: 301 total cpu time spent up to now is 213.8 secs Computing kpt #: 302 total cpu time spent up to now is 214.4 secs Computing kpt #: 303 total cpu time spent up to now is 215.0 secs Computing kpt #: 304 total cpu time spent up to now is 215.7 secs Computing kpt #: 305 total cpu time spent up to now is 216.4 secs Computing kpt #: 306 total cpu time spent up to now is 217.0 secs Computing kpt #: 307 total cpu time spent up to now is 217.7 secs Computing kpt #: 308 total cpu time spent up to now is 218.4 secs Computing kpt #: 309 total cpu time spent up to now is 219.1 secs Computing kpt #: 310 total cpu time spent up to now is 219.8 secs Computing kpt #: 311 total cpu time spent up to now is 220.5 secs Computing kpt #: 312 total cpu time spent up to now is 221.2 secs Computing kpt #: 313 total cpu time spent up to now is 221.9 secs Computing kpt #: 314 total cpu time spent up to now is 222.7 secs Computing kpt #: 315 total cpu time spent up to now is 223.5 secs Computing kpt #: 316 total cpu time spent up to now is 224.3 secs Computing kpt #: 317 total cpu time spent up to now is 225.1 secs Computing kpt #: 318 total cpu time spent up to now is 225.9 secs Computing kpt #: 319 total cpu time spent up to now is 226.7 secs Computing kpt #: 320 total cpu time spent up to now is 227.5 secs ethr = 2.08E-08, avg # of iterations = 18.6 total cpu time spent up to now is 227.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.2890 -31.2890 -31.2296 -31.2296 -14.1615 -14.1615 -13.2890 -13.2890 -12.1771 -12.1771 -12.1229 -12.1229 -10.9785 -10.9785 -10.7748 -10.7748 -10.6816 -10.6816 -10.6761 -10.6761 -6.9576 -6.9576 -6.7579 -6.7579 4.0004 4.0004 4.0438 4.0438 4.0612 4.0612 4.7480 4.7480 4.7754 4.7754 5.1323 5.1323 6.6676 6.6676 6.9840 6.9840 7.0487 7.0487 7.4037 7.4037 7.4434 7.4434 8.2098 8.2098 13.9922 13.9922 14.6197 14.6197 14.6380 14.6380 15.2552 15.2552 15.2969 15.2969 k = 0.0102-0.0157-0.0096 ( 3132 PWs) bands (ev): -31.2890 -31.2890 -31.2296 -31.2296 -14.1614 -14.1614 -13.2896 -13.2896 -12.1794 -12.1794 -12.1210 -12.1210 -10.9797 -10.9797 -10.7751 -10.7751 -10.6810 -10.6810 -10.6759 -10.6759 -6.9568 -6.9568 -6.7574 -6.7574 4.0002 4.0002 4.0442 4.0442 4.0619 4.0619 4.7490 4.7490 4.7764 4.7764 5.1311 5.1311 6.6683 6.6683 6.9841 6.9841 7.0487 7.0487 7.4031 7.4031 7.4428 7.4428 8.2093 8.2093 13.9953 13.9953 14.6200 14.6200 14.6383 14.6383 15.2534 15.2534 15.2953 15.2953 k = 0.0204-0.0313-0.0191 ( 3146 PWs) bands (ev): -31.2888 -31.2888 -31.2295 -31.2295 -14.1612 -14.1612 -13.2914 -13.2914 -12.1855 -12.1855 -12.1162 -12.1162 -10.9830 -10.9830 -10.7759 -10.7759 -10.6798 -10.6798 -10.6745 -10.6745 -6.9546 -6.9546 -6.7559 -6.7559 3.9996 3.9996 4.0454 4.0454 4.0641 4.0641 4.7520 4.7520 4.7794 4.7794 5.1276 5.1276 6.6703 6.6703 6.9844 6.9844 7.0488 7.0488 7.4010 7.4010 7.4413 7.4413 8.2078 8.2078 14.0047 14.0047 14.6210 14.6210 14.6393 14.6393 15.2464 15.2464 15.2925 15.2925 k = 0.0306-0.0470-0.0287 ( 3148 PWs) bands (ev): -31.2886 -31.2886 -31.2294 -31.2294 -14.1608 -14.1608 -13.2943 -13.2943 -12.1941 -12.1941 -12.1097 -12.1097 -10.9884 -10.9884 -10.7772 -10.7772 -10.6798 -10.6798 -10.6705 -10.6705 -6.9509 -6.9509 -6.7534 -6.7534 3.9984 3.9984 4.0475 4.0475 4.0680 4.0680 4.7569 4.7569 4.7843 4.7843 5.1218 5.1218 6.6735 6.6735 6.9847 6.9847 7.0490 7.0490 7.3966 7.3966 7.4398 7.4398 8.2052 8.2052 14.0202 14.0202 14.6226 14.6226 14.6410 14.6410 15.2314 15.2314 15.2921 15.2921 k = 0.0408-0.0626-0.0383 ( 3149 PWs) bands (ev): -31.2882 -31.2882 -31.2293 -31.2293 -14.1603 -14.1603 -13.2983 -13.2983 -12.2041 -12.2041 -12.1026 -12.1026 -10.9955 -10.9955 -10.7790 -10.7790 -10.6806 -10.6806 -10.6644 -10.6644 -6.9457 -6.9457 -6.7498 -6.7498 3.9965 3.9965 4.0502 4.0502 4.0739 4.0739 4.7636 4.7636 4.7911 4.7911 5.1138 5.1138 6.6780 6.6780 6.9849 6.9849 7.0493 7.0493 7.3892 7.3892 7.4393 7.4393 8.2018 8.2018 14.0418 14.0418 14.6244 14.6244 14.6435 14.6435 15.2083 15.2083 15.2955 15.2955 k = 0.0510-0.0783-0.0479 ( 3151 PWs) bands (ev): -31.2877 -31.2877 -31.2291 -31.2291 -14.1596 -14.1596 -13.3035 -13.3035 -12.2149 -12.2149 -12.0954 -12.0954 -11.0041 -11.0041 -10.7814 -10.7814 -10.6820 -10.6820 -10.6569 -10.6569 -6.9391 -6.9391 -6.7453 -6.7453 3.9939 3.9939 4.0535 4.0535 4.0820 4.0820 4.7720 4.7720 4.7997 4.7997 5.1039 5.1039 6.6836 6.6836 6.9849 6.9849 7.0497 7.0497 7.3785 7.3785 7.4402 7.4402 8.1976 8.1976 14.0692 14.0692 14.6264 14.6264 14.6467 14.6467 15.1795 15.1795 15.3019 15.3019 k = 0.0612-0.0940-0.0574 ( 3145 PWs) bands (ev): -31.2872 -31.2872 -31.2288 -31.2288 -14.1588 -14.1588 -13.3098 -13.3098 -12.2264 -12.2264 -12.0883 -12.0883 -11.0140 -11.0140 -10.7843 -10.7843 -10.6837 -10.6837 -10.6482 -10.6482 -6.9311 -6.9311 -6.7398 -6.7398 3.9907 3.9907 4.0573 4.0573 4.0923 4.0923 4.7818 4.7818 4.8101 4.8101 5.0922 5.0922 6.6902 6.6902 6.9844 6.9844 7.0499 7.0499 7.3649 7.3649 7.4428 7.4428 8.1927 8.1927 14.1023 14.1023 14.6284 14.6284 14.6505 14.6505 15.1470 15.1470 15.3107 15.3107 k = 0.0714-0.1096-0.0670 ( 3148 PWs) bands (ev): -31.2865 -31.2865 -31.2285 -31.2285 -14.1578 -14.1578 -13.3171 -13.3171 -12.2382 -12.2382 -12.0817 -12.0817 -11.0247 -11.0247 -10.7877 -10.7877 -10.6857 -10.6857 -10.6388 -10.6388 -6.9217 -6.9217 -6.7333 -6.7333 3.9868 3.9868 4.0617 4.0617 4.1046 4.1046 4.7930 4.7930 4.8220 4.8220 5.0790 5.0790 6.6976 6.6976 6.9833 6.9833 7.0499 7.0499 7.3493 7.3493 7.4467 7.4467 8.1873 8.1873 14.1408 14.1408 14.6305 14.6305 14.6545 14.6545 15.1127 15.1127 15.3214 15.3214 k = 0.0816-0.1253-0.0766 ( 3143 PWs) bands (ev): -31.2858 -31.2858 -31.2282 -31.2282 -14.1567 -14.1567 -13.3255 -13.3255 -12.2502 -12.2502 -12.0755 -12.0755 -11.0362 -11.0362 -10.7916 -10.7916 -10.6880 -10.6880 -10.6289 -10.6289 -6.9110 -6.9110 -6.7258 -6.7258 3.9827 3.9827 4.0665 4.0665 4.1187 4.1187 4.8055 4.8055 4.8352 4.8352 5.0647 5.0647 6.7054 6.7054 6.9815 6.9815 7.0492 7.0492 7.3327 7.3327 7.4517 7.4517 8.1815 8.1815 14.1844 14.1844 14.6327 14.6327 14.6580 14.6580 15.0783 15.0783 15.3338 15.3338 k = 0.0918-0.1409-0.0862 ( 3143 PWs) bands (ev): -31.2849 -31.2849 -31.2279 -31.2279 -14.1554 -14.1554 -13.3349 -13.3349 -12.2624 -12.2624 -12.0699 -12.0699 -11.0480 -11.0480 -10.7960 -10.7960 -10.6907 -10.6907 -10.6188 -10.6188 -6.8989 -6.8989 -6.7174 -6.7174 3.9784 3.9784 4.0718 4.0718 4.1345 4.1345 4.8191 4.8191 4.8494 4.8494 5.0498 5.0498 6.7134 6.7134 6.9790 6.9790 7.0473 7.0473 7.3162 7.3162 7.4577 7.4577 8.1754 8.1754 14.2326 14.2326 14.6351 14.6351 14.6602 14.6602 15.0452 15.0452 15.3476 15.3476 k = 0.1020-0.1566-0.0957 ( 3145 PWs) bands (ev): -31.2840 -31.2840 -31.2275 -31.2275 -14.1541 -14.1541 -13.3452 -13.3452 -12.2746 -12.2746 -12.0649 -12.0649 -11.0602 -11.0602 -10.8009 -10.8009 -10.6935 -10.6935 -10.6086 -10.6086 -6.8856 -6.8856 -6.7081 -6.7081 3.9742 3.9742 4.0775 4.0775 4.1516 4.1516 4.8337 4.8337 4.8641 4.8641 5.0349 5.0349 6.7208 6.7208 6.9757 6.9757 7.0437 7.0437 7.3012 7.3012 7.4647 7.4647 8.1691 8.1691 14.2852 14.2852 14.6377 14.6377 14.6603 14.6603 15.0149 15.0149 15.3628 15.3628 k = 0.1122-0.1723-0.1053 ( 3146 PWs) bands (ev): -31.2829 -31.2829 -31.2270 -31.2270 -14.1526 -14.1526 -13.3565 -13.3565 -12.2868 -12.2868 -12.0605 -12.0605 -11.0724 -11.0724 -10.8063 -10.8063 -10.6966 -10.6966 -10.5985 -10.5985 -6.8711 -6.8711 -6.6978 -6.6978 3.9701 3.9701 4.0838 4.0838 4.1696 4.1696 4.8489 4.8489 4.8790 4.8790 5.0207 5.0207 6.7270 6.7270 6.9717 6.9717 7.0380 7.0380 7.2889 7.2889 7.4724 7.4724 8.1627 8.1627 14.3415 14.3415 14.6404 14.6404 14.6575 14.6575 14.9889 14.9889 15.3791 15.3791 k = 0.1224-0.1879-0.1149 ( 3144 PWs) bands (ev): -31.2818 -31.2818 -31.2266 -31.2266 -14.1510 -14.1510 -13.3686 -13.3686 -12.2989 -12.2989 -12.0568 -12.0568 -11.0846 -11.0846 -10.8122 -10.8122 -10.6999 -10.6999 -10.5886 -10.5886 -6.8555 -6.8555 -6.6868 -6.6868 3.9664 3.9664 4.0904 4.0904 4.1882 4.1882 4.8641 4.8641 4.8936 4.8936 5.0086 5.0086 6.7308 6.7308 6.9672 6.9672 7.0305 7.0305 7.2804 7.2804 7.4810 7.4810 8.1563 8.1563 14.4006 14.4006 14.6422 14.6422 14.6523 14.6523 14.9685 14.9685 15.3965 15.3965 k = 0.1327-0.2036-0.1245 ( 3150 PWs) bands (ev): -31.2806 -31.2806 -31.2261 -31.2261 -14.1494 -14.1494 -13.3815 -13.3815 -12.3108 -12.3108 -12.0539 -12.0539 -11.0967 -11.0967 -10.8186 -10.8186 -10.7033 -10.7033 -10.5790 -10.5790 -6.8388 -6.8388 -6.6749 -6.6749 3.9632 3.9632 4.0975 4.0975 4.2070 4.2070 4.8779 4.8779 4.9078 4.9078 5.0004 5.0004 6.7308 6.7308 6.9622 6.9622 7.0221 7.0221 7.2762 7.2762 7.4903 7.4903 8.1499 8.1499 14.4608 14.4608 14.6375 14.6375 14.6512 14.6512 14.9542 14.9542 15.4148 15.4148 k = 0.1429-0.2192-0.1340 ( 3158 PWs) bands (ev): -31.2794 -31.2794 -31.2256 -31.2256 -14.1476 -14.1476 -13.3952 -13.3952 -12.3225 -12.3225 -12.0516 -12.0516 -11.1085 -11.1085 -10.8255 -10.8255 -10.7068 -10.7068 -10.5699 -10.5699 -6.8211 -6.8211 -6.6622 -6.6622 3.9605 3.9605 4.1049 4.1049 4.2254 4.2254 4.8871 4.8871 4.9227 4.9227 4.9980 4.9980 6.7255 6.7255 6.9572 6.9572 7.0144 7.0144 7.2761 7.2761 7.5004 7.5004 8.1436 8.1436 14.5164 14.5164 14.6308 14.6308 14.6548 14.6548 14.9463 14.9463 15.4339 15.4339 k = 0.1531-0.2349-0.1436 ( 3157 PWs) bands (ev): -31.2780 -31.2780 -31.2250 -31.2250 -14.1458 -14.1458 -13.4096 -13.4096 -12.3340 -12.3340 -12.0501 -12.0501 -11.1200 -11.1200 -10.8328 -10.8328 -10.7104 -10.7104 -10.5613 -10.5613 -6.8025 -6.8025 -6.6487 -6.6487 3.9584 3.9584 4.1127 4.1127 4.2430 4.2430 4.8899 4.8899 4.9399 4.9399 5.0024 5.0024 6.7134 6.7134 6.9527 6.9527 7.0090 7.0090 7.2798 7.2798 7.5111 7.5111 8.1373 8.1373 14.5466 14.5466 14.6454 14.6454 14.6612 14.6612 14.9439 14.9439 15.4537 15.4537 k = 0.1633-0.2506-0.1532 ( 3156 PWs) bands (ev): -31.2766 -31.2766 -31.2245 -31.2245 -14.1439 -14.1439 -13.4247 -13.4247 -12.3451 -12.3451 -12.0493 -12.0493 -11.1311 -11.1311 -10.8406 -10.8406 -10.7141 -10.7141 -10.5532 -10.5532 -6.7830 -6.7830 -6.6345 -6.6345 3.9571 3.9571 4.1208 4.1208 4.2591 4.2591 4.8878 4.8878 4.9594 4.9594 5.0121 5.0121 6.6941 6.6941 6.9486 6.9486 7.0073 7.0073 7.2867 7.2867 7.5225 7.5225 8.1311 8.1311 14.5390 14.5390 14.6628 14.6628 14.7012 14.7012 14.9463 14.9463 15.4740 15.4740 k = 0.1735-0.2662-0.1628 ( 3154 PWs) bands (ev): -31.2751 -31.2751 -31.2239 -31.2239 -14.1419 -14.1419 -13.4403 -13.4403 -12.3558 -12.3558 -12.0492 -12.0492 -11.1417 -11.1417 -10.8489 -10.8489 -10.7177 -10.7177 -10.5457 -10.5457 -6.7628 -6.7628 -6.6197 -6.6197 3.9564 3.9564 4.1292 4.1292 4.2732 4.2732 4.8837 4.8837 4.9806 4.9806 5.0251 5.0251 6.6681 6.6681 6.9446 6.9446 7.0098 7.0098 7.2962 7.2962 7.5345 7.5345 8.1249 8.1249 14.5163 14.5163 14.6693 14.6693 14.7662 14.7662 14.9528 14.9528 15.4948 15.4948 k = 0.1837-0.2819-0.1723 ( 3153 PWs) bands (ev): -31.2736 -31.2736 -31.2233 -31.2233 -14.1399 -14.1399 -13.4564 -13.4564 -12.3660 -12.3660 -12.0499 -12.0499 -11.1519 -11.1519 -10.8577 -10.8577 -10.7213 -10.7213 -10.5389 -10.5389 -6.7419 -6.7419 -6.6043 -6.6043 3.9565 3.9565 4.1378 4.1378 4.2846 4.2846 4.8803 4.8803 5.0028 5.0028 5.0399 5.0399 6.6369 6.6369 6.9404 6.9404 7.0164 7.0164 7.3078 7.3078 7.5472 7.5472 8.1188 8.1188 14.4889 14.4889 14.6758 14.6758 14.8335 14.8335 14.9641 14.9641 15.5158 15.5158 k = 0.1939-0.2976-0.1819 ( 3153 PWs) bands (ev): -31.2720 -31.2720 -31.2227 -31.2227 -14.1378 -14.1378 -13.4730 -13.4730 -12.3758 -12.3758 -12.0513 -12.0513 -11.1615 -11.1615 -10.8668 -10.8668 -10.7249 -10.7249 -10.5327 -10.5327 -6.7204 -6.7204 -6.5883 -6.5883 3.9573 3.9573 4.1466 4.1466 4.2930 4.2930 4.8787 4.8787 5.0256 5.0256 5.0554 5.0554 6.6021 6.6021 6.9359 6.9359 7.0264 7.0264 7.3212 7.3212 7.5604 7.5604 8.1127 8.1127 14.4597 14.4597 14.6828 14.6828 14.8939 14.8939 14.9851 14.9851 15.5370 15.5370 k = 0.2041-0.3132-0.1915 ( 3155 PWs) bands (ev): -31.2704 -31.2704 -31.2222 -31.2222 -14.1358 -14.1358 -13.4900 -13.4900 -12.3851 -12.3851 -12.0535 -12.0535 -11.1706 -11.1706 -10.8764 -10.8764 -10.7283 -10.7283 -10.5272 -10.5272 -6.6984 -6.6984 -6.5718 -6.5718 3.9588 3.9588 4.1555 4.1555 4.2981 4.2981 4.8800 4.8800 5.0486 5.0486 5.0714 5.0714 6.5652 6.5652 6.9312 6.9312 7.0389 7.0389 7.3360 7.3360 7.5741 7.5741 8.1066 8.1066 14.4301 14.4301 14.6901 14.6901 14.9335 14.9335 15.0279 15.0279 15.5583 15.5583 k = 0.2143-0.3289-0.2011 ( 3155 PWs) bands (ev): -31.2687 -31.2687 -31.2216 -31.2216 -14.1336 -14.1336 -13.5073 -13.5073 -12.3937 -12.3937 -12.0564 -12.0564 -11.1791 -11.1791 -10.8864 -10.8864 -10.7316 -10.7316 -10.5225 -10.5225 -6.6759 -6.6759 -6.5548 -6.5548 3.9610 3.9610 4.1646 4.1646 4.2997 4.2997 4.8843 4.8843 5.0708 5.0708 5.0881 5.0881 6.5278 6.5278 6.9263 6.9263 7.0528 7.0528 7.3520 7.3520 7.5883 7.5883 8.1004 8.1004 14.4005 14.4005 14.6979 14.6979 14.9531 14.9531 15.0902 15.0902 15.5796 15.5796 k = 0.2245-0.3445-0.2106 ( 3155 PWs) bands (ev): -31.2670 -31.2670 -31.2210 -31.2210 -14.1315 -14.1315 -13.5248 -13.5248 -12.4018 -12.4018 -12.0600 -12.0600 -11.1870 -11.1870 -10.8967 -10.8967 -10.7348 -10.7348 -10.5184 -10.5184 -6.6532 -6.6532 -6.5375 -6.5375 3.9636 3.9636 4.1737 4.1737 4.2982 4.2982 4.8915 4.8915 5.0898 5.0898 5.1073 5.1073 6.4909 6.4909 6.9214 6.9214 7.0676 7.0676 7.3691 7.3691 7.6030 7.6030 8.0943 8.0943 14.3716 14.3716 14.7061 14.7061 14.9645 14.9645 15.1588 15.1588 15.6008 15.6008 k = 0.2347-0.3602-0.2202 ( 3154 PWs) bands (ev): -31.2652 -31.2652 -31.2204 -31.2204 -14.1293 -14.1293 -13.5425 -13.5425 -12.4092 -12.4092 -12.0643 -12.0643 -11.1944 -11.1944 -10.9074 -10.9074 -10.7378 -10.7378 -10.5150 -10.5150 -6.6302 -6.6302 -6.5199 -6.5199 3.9667 3.9667 4.1828 4.1828 4.2938 4.2938 4.9015 4.9015 5.1045 5.1045 5.1297 5.1297 6.4559 6.4559 6.9166 6.9166 7.0826 7.0826 7.3870 7.3870 7.6181 7.6181 8.0881 8.0881 14.3435 14.3435 14.7147 14.7147 14.9725 14.9725 15.2278 15.2278 15.6217 15.6217 k = 0.2449-0.3759-0.2298 ( 3154 PWs) bands (ev): -31.2634 -31.2634 -31.2198 -31.2198 -14.1271 -14.1271 -13.5604 -13.5604 -12.4159 -12.4159 -12.0693 -12.0693 -11.2011 -11.2011 -10.9183 -10.9183 -10.7405 -10.7405 -10.5123 -10.5123 -6.6071 -6.6071 -6.5021 -6.5021 3.9700 3.9700 4.1920 4.1920 4.2871 4.2871 4.9135 4.9135 5.1159 5.1159 5.1537 5.1537 6.4236 6.4236 6.9121 6.9121 7.0976 7.0976 7.4054 7.4054 7.6335 7.6335 8.0819 8.0819 14.3165 14.3165 14.7236 14.7236 14.9783 14.9783 15.2948 15.2948 15.6423 15.6423 k = 0.2551-0.3915-0.2393 ( 3156 PWs) bands (ev): -31.2616 -31.2616 -31.2193 -31.2193 -14.1250 -14.1250 -13.5782 -13.5782 -12.4219 -12.4219 -12.0749 -12.0749 -11.2072 -11.2072 -10.9294 -10.9294 -10.7431 -10.7431 -10.5102 -10.5102 -6.5839 -6.5839 -6.4841 -6.4841 3.9735 3.9735 4.2010 4.2010 4.2788 4.2788 4.9271 4.9271 5.1246 5.1246 5.1782 5.1782 6.3951 6.3951 6.9077 6.9077 7.1122 7.1122 7.4243 7.4243 7.6492 7.6492 8.0757 8.0757 14.2906 14.2906 14.7328 14.7328 14.9823 14.9823 15.3584 15.3584 15.6625 15.6625 k = 0.2653-0.4072-0.2489 ( 3158 PWs) bands (ev): -31.2598 -31.2598 -31.2188 -31.2188 -14.1228 -14.1228 -13.5961 -13.5961 -12.4271 -12.4271 -12.0812 -12.0812 -11.2127 -11.2127 -10.9408 -10.9408 -10.7454 -10.7454 -10.5088 -10.5088 -6.5609 -6.5609 -6.4660 -6.4660 3.9767 3.9767 4.2098 4.2098 4.2696 4.2696 4.9415 4.9415 5.1304 5.1304 5.2028 5.2028 6.3711 6.3711 6.9037 6.9037 7.1262 7.1262 7.4433 7.4433 7.6651 7.6651 8.0695 8.0695 14.2659 14.2659 14.7423 14.7423 14.9847 14.9847 15.4173 15.4173 15.6822 15.6822 k = 0.2755-0.4228-0.2585 ( 3158 PWs) bands (ev): -31.2580 -31.2580 -31.2183 -31.2183 -14.1205 -14.1205 -13.6139 -13.6139 -12.4316 -12.4316 -12.0882 -12.0882 -11.2177 -11.2177 -10.9523 -10.9523 -10.7475 -10.7475 -10.5081 -10.5081 -6.5379 -6.5379 -6.4480 -6.4480 3.9796 3.9796 4.2184 4.2184 4.2604 4.2604 4.9562 4.9562 5.1333 5.1333 5.2272 5.2272 6.3525 6.3525 6.8999 6.8999 7.1395 7.1395 7.4622 7.4622 7.6812 7.6812 8.0633 8.0633 14.2424 14.2424 14.7520 14.7520 14.9855 14.9855 15.4708 15.4708 15.7014 15.7014 k = 0.2857-0.4385-0.2681 ( 3163 PWs) bands (ev): -31.2561 -31.2561 -31.2178 -31.2178 -14.1183 -14.1183 -13.6316 -13.6316 -12.4353 -12.4353 -12.0957 -12.0957 -11.2220 -11.2220 -10.9639 -10.9639 -10.7493 -10.7493 -10.5078 -10.5078 -6.5152 -6.5152 -6.4300 -6.4300 3.9818 3.9818 4.2264 4.2264 4.2520 4.2520 4.9707 4.9707 5.1329 5.1329 5.2513 5.2513 6.3397 6.3397 6.8966 6.8966 7.1519 7.1519 7.4807 7.4807 7.6973 7.6973 8.0571 8.0571 14.2202 14.2202 14.7618 14.7618 14.9848 14.9848 15.5180 15.5180 15.7200 15.7200 k = 0.2959-0.4542-0.2776 ( 3160 PWs) bands (ev): -31.2543 -31.2543 -31.2174 -31.2174 -14.1161 -14.1161 -13.6490 -13.6490 -12.4381 -12.4381 -12.1038 -12.1038 -11.2257 -11.2257 -10.9756 -10.9756 -10.7509 -10.7509 -10.5082 -10.5082 -6.4928 -6.4928 -6.4122 -6.4122 3.9830 3.9830 4.2321 4.2321 4.2467 4.2467 4.9844 4.9844 5.1294 5.1294 5.2749 5.2749 6.3332 6.3332 6.8937 6.8937 7.1634 7.1634 7.4986 7.4986 7.7135 7.7135 8.0511 8.0511 14.1991 14.1991 14.7717 14.7717 14.9827 14.9827 15.5583 15.5583 15.7380 15.7380 k = 0.3061-0.4698-0.2872 ( 3160 PWs) bands (ev): -31.2525 -31.2525 -31.2170 -31.2170 -14.1138 -14.1138 -13.6662 -13.6662 -12.4401 -12.4401 -12.1125 -12.1125 -11.2289 -11.2289 -10.9873 -10.9873 -10.7522 -10.7522 -10.5090 -10.5090 -6.4708 -6.4708 -6.3947 -6.3947 3.9829 3.9829 4.2318 4.2318 4.2488 4.2488 4.9968 4.9968 5.1228 5.1228 5.2979 5.2979 6.3331 6.3331 6.8911 6.8911 7.1739 7.1739 7.5157 7.5157 7.7296 7.7296 8.0452 8.0452 14.1792 14.1792 14.7816 14.7816 14.9794 14.9794 15.5917 15.5917 15.7554 15.7554 k = 0.3163-0.4855-0.2968 ( 3166 PWs) bands (ev): -31.2507 -31.2507 -31.2166 -31.2166 -14.1115 -14.1115 -13.6831 -13.6831 -12.4413 -12.4413 -12.1217 -12.1217 -11.2316 -11.2316 -10.9990 -10.9990 -10.7532 -10.7532 -10.5103 -10.5103 -6.4494 -6.4494 -6.3775 -6.3775 3.9814 3.9814 4.2287 4.2287 4.2553 4.2553 5.0072 5.0072 5.1139 5.1139 5.3203 5.3203 6.3393 6.3393 6.8890 6.8890 7.1834 7.1834 7.5316 7.5316 7.7456 7.7456 8.0396 8.0396 14.1604 14.1604 14.7914 14.7914 14.9751 14.9751 15.6181 15.6181 15.7719 15.7719 k = 0.3265-0.5011-0.3064 ( 3168 PWs) bands (ev): -31.2489 -31.2489 -31.2163 -31.2163 -14.1092 -14.1092 -13.6997 -13.6997 -12.4416 -12.4416 -12.1314 -12.1314 -11.2337 -11.2337 -11.0106 -11.0106 -10.7540 -10.7540 -10.5120 -10.5120 -6.4285 -6.4285 -6.3607 -6.3607 3.9785 3.9785 4.2267 4.2267 4.2626 4.2626 5.0145 5.0145 5.1040 5.1040 5.3418 5.3418 6.3515 6.3515 6.8873 6.8873 7.1917 7.1917 7.5462 7.5462 7.7614 7.7614 8.0343 8.0343 14.1425 14.1425 14.8012 14.8012 14.9699 14.9699 15.6383 15.6383 15.7877 15.7877 k = 0.3367-0.5168-0.3159 ( 3172 PWs) bands (ev): -31.2471 -31.2471 -31.2160 -31.2160 -14.1069 -14.1069 -13.7158 -13.7158 -12.4411 -12.4411 -12.1415 -12.1415 -11.2352 -11.2352 -11.0220 -11.0220 -10.7546 -10.7546 -10.5141 -10.5141 -6.4083 -6.4083 -6.3444 -6.3444 3.9741 3.9741 4.2264 4.2264 4.2698 4.2698 5.0168 5.0168 5.0952 5.0952 5.3624 5.3624 6.3693 6.3693 6.8861 6.8861 7.1990 7.1990 7.5593 7.5593 7.7768 7.7768 8.0293 8.0293 14.1256 14.1256 14.8108 14.8108 14.9641 14.9641 15.6530 15.6530 15.8026 15.8026 k = 0.3469-0.5325-0.3255 ( 3170 PWs) bands (ev): -31.2453 -31.2453 -31.2157 -31.2157 -14.1046 -14.1046 -13.7314 -13.7314 -12.4397 -12.4397 -12.1520 -12.1520 -11.2363 -11.2363 -11.0333 -11.0333 -10.7549 -10.7549 -10.5165 -10.5165 -6.3888 -6.3888 -6.3288 -6.3288 3.9686 3.9686 4.2281 4.2281 4.2769 4.2769 5.0121 5.0121 5.0901 5.0901 5.3821 5.3821 6.3920 6.3920 6.8852 6.8852 7.2050 7.2050 7.5707 7.5707 7.7918 7.7918 8.0249 8.0249 14.1094 14.1094 14.8201 14.8201 14.9580 14.9580 15.6632 15.6632 15.8165 15.8165 k = 0.3571-0.5481-0.3351 ( 3173 PWs) bands (ev): -31.2436 -31.2436 -31.2155 -31.2155 -14.1022 -14.1022 -13.7464 -13.7464 -12.4375 -12.4375 -12.1629 -12.1629 -11.2369 -11.2369 -11.0444 -11.0444 -10.7550 -10.7550 -10.5192 -10.5192 -6.3701 -6.3701 -6.3138 -6.3138 3.9621 3.9621 4.2313 4.2313 4.2836 4.2836 5.0000 5.0000 5.0897 5.0897 5.4007 5.4007 6.4190 6.4190 6.8847 6.8847 7.2098 7.2098 7.5804 7.5804 7.8064 7.8064 8.0209 8.0209 14.0940 14.0940 14.8292 14.8292 14.9518 14.9518 15.6700 15.6700 15.8294 15.8294 k = 0.3673-0.5638-0.3447 ( 3174 PWs) bands (ev): -31.2420 -31.2420 -31.2154 -31.2154 -14.0998 -14.0998 -13.7609 -13.7609 -12.4345 -12.4345 -12.1742 -12.1742 -11.2370 -11.2370 -11.0553 -11.0553 -10.7549 -10.7549 -10.5220 -10.5220 -6.3523 -6.3523 -6.2995 -6.2995 3.9549 3.9549 4.2360 4.2360 4.2900 4.2900 4.9827 4.9827 5.0923 5.0923 5.4182 5.4182 6.4495 6.4495 6.8846 6.8846 7.2132 7.2132 7.5882 7.5882 7.8204 7.8204 8.0175 8.0175 14.0793 14.0793 14.8378 14.8378 14.9458 14.9458 15.6745 15.6745 15.8413 15.8413 k = 0.3776-0.5794-0.3542 ( 3173 PWs) bands (ev): -31.2404 -31.2404 -31.2153 -31.2153 -14.0974 -14.0974 -13.7747 -13.7747 -12.4307 -12.4307 -12.1857 -12.1857 -11.2366 -11.2366 -11.0659 -11.0659 -10.7546 -10.7546 -10.5250 -10.5250 -6.3355 -6.3355 -6.2861 -6.2861 3.9474 3.9474 4.2416 4.2416 4.2961 4.2961 4.9626 4.9626 5.0964 5.0964 5.4345 5.4345 6.4829 6.4829 6.8848 6.8848 7.2151 7.2151 7.5943 7.5943 7.8337 7.8337 8.0146 8.0146 14.0652 14.0652 14.8460 14.8460 14.9401 14.9401 15.6778 15.6778 15.8522 15.8522 k = 0.3878-0.5951-0.3638 ( 3179 PWs) bands (ev): -31.2388 -31.2388 -31.2153 -31.2153 -14.0951 -14.0951 -13.7878 -13.7878 -12.4261 -12.4261 -12.1975 -12.1975 -11.2359 -11.2359 -11.0761 -11.0761 -10.7542 -10.7542 -10.5281 -10.5281 -6.3196 -6.3196 -6.2735 -6.2735 3.9399 3.9399 4.2479 4.2479 4.3017 4.3017 4.9412 4.9412 5.1008 5.1008 5.4496 5.4496 6.5183 6.5183 6.8852 6.8852 7.2155 7.2155 7.5987 7.5987 7.8463 7.8463 8.0124 8.0124 14.0518 14.0518 14.8536 14.8536 14.9350 14.9350 15.6806 15.6806 15.8621 15.8621 k = 0.3980-0.6108-0.3734 ( 3179 PWs) bands (ev): -31.2374 -31.2374 -31.2153 -31.2153 -14.0927 -14.0927 -13.8001 -13.8001 -12.4207 -12.4207 -12.2095 -12.2095 -11.2347 -11.2347 -11.0859 -11.0859 -10.7536 -10.7536 -10.5312 -10.5312 -6.3049 -6.3049 -6.2619 -6.2619 3.9326 3.9326 4.2545 4.2545 4.3069 4.3069 4.9195 4.9195 5.1051 5.1051 5.4635 5.4635 6.5551 6.5551 6.8859 6.8859 7.2142 7.2142 7.6017 7.6017 7.8581 7.8581 8.0106 8.0106 14.0390 14.0390 14.8606 14.8606 14.9305 14.9305 15.6839 15.6839 15.8711 15.8711 k = 0.4082-0.6264-0.3830 ( 3181 PWs) bands (ev): -31.2360 -31.2360 -31.2153 -31.2153 -14.0904 -14.0904 -13.8115 -13.8115 -12.4146 -12.4146 -12.2217 -12.2217 -11.2332 -11.2332 -11.0953 -11.0953 -10.7530 -10.7530 -10.5342 -10.5342 -6.2913 -6.2913 -6.2513 -6.2513 3.9256 3.9256 4.2612 4.2612 4.3116 4.3116 4.8985 4.8985 5.1091 5.1091 5.4761 5.4761 6.5926 6.5926 6.8867 6.8867 7.2112 7.2112 7.6033 7.6033 7.8690 7.8690 8.0093 8.0093 14.0269 14.0269 14.8669 14.8669 14.9269 14.9269 15.6881 15.6881 15.8793 15.8793 k = 0.4184-0.6421-0.3925 ( 3173 PWs) bands (ev): -31.2346 -31.2346 -31.2154 -31.2154 -14.0881 -14.0881 -13.8221 -13.8221 -12.4078 -12.4078 -12.2339 -12.2339 -11.2314 -11.2314 -11.1043 -11.1043 -10.7522 -10.7522 -10.5372 -10.5372 -6.2788 -6.2788 -6.2418 -6.2418 3.9192 3.9192 4.2678 4.2678 4.3159 4.3159 4.8785 4.8785 5.1126 5.1126 5.4874 5.4874 6.6302 6.6302 6.8876 6.8876 7.2065 7.2065 7.6039 7.6039 7.8789 7.8789 8.0085 8.0085 14.0156 14.0156 14.8724 14.8724 14.9240 14.9240 15.6936 15.6936 15.8865 15.8865 k = 0.4286-0.6577-0.4021 ( 3169 PWs) bands (ev): -31.2334 -31.2334 -31.2156 -31.2156 -14.0859 -14.0859 -13.8316 -13.8316 -12.4004 -12.4004 -12.2462 -12.2462 -11.2293 -11.2293 -11.1126 -11.1126 -10.7515 -10.7515 -10.5400 -10.5400 -6.2677 -6.2677 -6.2333 -6.2333 3.9134 3.9134 4.2740 4.2740 4.3198 4.3198 4.8601 4.8601 5.1156 5.1156 5.4974 5.4974 6.6671 6.6671 6.8886 6.8886 7.2001 7.2001 7.6037 7.6037 7.8878 7.8878 8.0080 8.0080 14.0051 14.0051 14.8772 14.8772 14.9220 14.9220 15.7007 15.7007 15.8929 15.8929 k = 0.4388-0.6734-0.4117 ( 3169 PWs) bands (ev): -31.2323 -31.2323 -31.2157 -31.2157 -14.0839 -14.0839 -13.8401 -13.8401 -12.3923 -12.3923 -12.2585 -12.2585 -11.2271 -11.2271 -11.1203 -11.1203 -10.7507 -10.7507 -10.5425 -10.5425 -6.2578 -6.2578 -6.2260 -6.2260 3.9083 3.9083 4.2796 4.2796 4.3231 4.3231 4.8435 4.8435 5.1181 5.1181 5.5060 5.5060 6.7025 6.7025 6.8895 6.8895 7.1922 7.1922 7.6030 7.6030 7.8956 7.8956 8.0077 8.0077 13.9957 13.9957 14.8810 14.8810 14.9208 14.9208 15.7093 15.7093 15.8985 15.8985 k = 0.4490-0.6891-0.4213 ( 3173 PWs) bands (ev): -31.2313 -31.2313 -31.2159 -31.2159 -14.0821 -14.0821 -13.8475 -13.8475 -12.3837 -12.3837 -12.2707 -12.2707 -11.2248 -11.2248 -11.1273 -11.1273 -10.7500 -10.7500 -10.5448 -10.5448 -6.2494 -6.2494 -6.2198 -6.2198 3.9039 3.9039 4.2845 4.2845 4.3259 4.3259 4.8291 4.8291 5.1202 5.1202 5.5134 5.5134 6.7356 6.7356 6.8904 6.8904 7.1832 7.1832 7.6020 7.6020 7.9023 7.9023 8.0076 8.0076 13.9874 13.9874 14.8840 14.8840 14.9202 14.9202 15.7190 15.7190 15.9034 15.9034 k = 0.4592-0.7047-0.4308 ( 3181 PWs) bands (ev): -31.2304 -31.2304 -31.2161 -31.2161 -14.0805 -14.0805 -13.8537 -13.8537 -12.3747 -12.3747 -12.2827 -12.2827 -11.2225 -11.2225 -11.1334 -11.1334 -10.7494 -10.7494 -10.5467 -10.5467 -6.2423 -6.2423 -6.2147 -6.2147 3.9003 3.9003 4.2887 4.2887 4.3283 4.3283 4.8171 4.8171 5.1218 5.1218 5.5194 5.5194 6.7656 6.7656 6.8912 6.8912 7.1737 7.1737 7.6009 7.6009 7.9078 7.9078 8.0076 8.0076 13.9804 13.9804 14.8863 14.8863 14.9201 14.9201 15.7292 15.7292 15.9074 15.9074 k = 0.4694-0.7204-0.4404 ( 3177 PWs) bands (ev): -31.2297 -31.2297 -31.2163 -31.2163 -14.0792 -14.0792 -13.8585 -13.8585 -12.3652 -12.3652 -12.2945 -12.2945 -11.2204 -11.2204 -11.1385 -11.1385 -10.7489 -10.7489 -10.5483 -10.5483 -6.2368 -6.2368 -6.2108 -6.2108 3.8975 3.8975 4.2920 4.2920 4.3301 4.3301 4.8075 4.8075 5.1230 5.1230 5.5240 5.5240 6.7911 6.7911 6.8918 6.8918 7.1643 7.1643 7.5999 7.5999 7.9121 7.9121 8.0077 8.0077 13.9748 13.9748 14.8879 14.8879 14.9203 14.9203 15.7391 15.7391 15.9107 15.9107 k = 0.4796-0.7361-0.4500 ( 3176 PWs) bands (ev): -31.2292 -31.2292 -31.2164 -31.2164 -14.0782 -14.0782 -13.8621 -13.8621 -12.3557 -12.3557 -12.3057 -12.3057 -11.2186 -11.2186 -11.1424 -11.1424 -10.7485 -10.7485 -10.5494 -10.5494 -6.2327 -6.2327 -6.2081 -6.2081 3.8955 3.8955 4.2944 4.2944 4.3314 4.3314 4.8007 4.8007 5.1239 5.1239 5.5273 5.5273 6.8109 6.8109 6.8923 6.8923 7.1563 7.1563 7.5991 7.5991 7.9152 7.9152 8.0078 8.0078 13.9707 13.9707 14.8889 14.8889 14.9205 14.9205 15.7474 15.7474 15.9131 15.9131 k = 0.4898-0.7517-0.4596 ( 3176 PWs) bands (ev): -31.2289 -31.2289 -31.2165 -31.2165 -14.0776 -14.0776 -13.8642 -13.8642 -12.3468 -12.3468 -12.3155 -12.3155 -11.2175 -11.2175 -11.1448 -11.1448 -10.7482 -10.7482 -10.5501 -10.5501 -6.2303 -6.2303 -6.2064 -6.2064 3.8942 3.8942 4.2959 4.2959 4.3322 4.3322 4.7965 4.7965 5.1244 5.1244 5.5293 5.5293 6.8236 6.8236 6.8925 6.8925 7.1508 7.1508 7.5986 7.5986 7.9170 7.9170 8.0079 8.0079 13.9682 13.9682 14.8895 14.8895 14.9208 14.9208 15.7531 15.7531 15.9147 15.9147 k = 0.5000-0.7674-0.4691 ( 3172 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0774 -14.0774 -13.8649 -13.8649 -12.3421 -12.3421 -12.3205 -12.3205 -11.2171 -11.2171 -11.1456 -11.1456 -10.7481 -10.7481 -10.5504 -10.5504 -6.2295 -6.2295 -6.2059 -6.2059 3.8938 3.8938 4.2964 4.2964 4.3325 4.3325 4.7951 4.7951 5.1246 5.1246 5.5300 5.5300 6.8280 6.8280 6.8926 6.8926 7.1488 7.1488 7.5984 7.5984 7.9177 7.9177 8.0079 8.0079 13.9674 13.9674 14.8897 14.8897 14.9209 14.9209 15.7551 15.7551 15.9152 15.9152 k = 0.5000-0.7674-0.4691 ( 3172 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0774 -14.0774 -13.8649 -13.8649 -12.3421 -12.3421 -12.3205 -12.3205 -11.2171 -11.2171 -11.1456 -11.1456 -10.7481 -10.7481 -10.5504 -10.5504 -6.2295 -6.2295 -6.2059 -6.2059 3.8938 3.8938 4.2964 4.2964 4.3325 4.3325 4.7951 4.7951 5.1246 5.1246 5.5300 5.5300 6.8280 6.8280 6.8926 6.8926 7.1488 7.1488 7.5984 7.5984 7.9177 7.9177 8.0079 8.0079 13.9674 13.9674 14.8897 14.8897 14.9209 14.9209 15.7551 15.7551 15.9152 15.9152 k = 0.5000-0.7563-0.4872 ( 3180 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0772 -14.0772 -13.8649 -13.8649 -12.3517 -12.3517 -12.3115 -12.3115 -11.2202 -11.2202 -11.1436 -11.1436 -10.7475 -10.7475 -10.5501 -10.5501 -6.2303 -6.2303 -6.2045 -6.2045 3.8942 3.8942 4.2963 4.2963 4.3312 4.3312 4.7956 4.7956 5.1257 5.1257 5.5296 5.5296 6.8241 6.8241 6.8969 6.8969 7.1483 7.1483 7.5972 7.5972 7.9199 7.9199 8.0076 8.0076 13.9627 13.9627 14.8932 14.8932 14.9238 14.9238 15.7544 15.7544 15.9125 15.9125 k = 0.5000-0.7453-0.5052 ( 3182 PWs) bands (ev): -31.2287 -31.2287 -31.2165 -31.2165 -14.0768 -14.0768 -13.8648 -13.8648 -12.3678 -12.3678 -12.2967 -12.2967 -11.2285 -11.2285 -11.1386 -11.1386 -10.7456 -10.7456 -10.5492 -10.5492 -6.2324 -6.2324 -6.2010 -6.2010 3.8952 3.8952 4.2963 4.2963 4.3273 4.3273 4.7970 4.7970 5.1292 5.1292 5.5285 5.5285 6.8145 6.8145 6.9077 6.9077 7.1468 7.1468 7.5938 7.5938 7.9263 7.9263 8.0067 8.0067 13.9491 13.9491 14.9016 14.9016 14.9341 14.9341 15.7523 15.7523 15.9045 15.9045 k = 0.5000-0.7342-0.5233 ( 3184 PWs) bands (ev): -31.2286 -31.2286 -31.2165 -31.2165 -14.0761 -14.0761 -13.8646 -13.8646 -12.3851 -12.3851 -12.2816 -12.2816 -11.2404 -11.2404 -11.1320 -11.1320 -10.7426 -10.7426 -10.5476 -10.5476 -6.2350 -6.2350 -6.1960 -6.1960 3.8970 3.8970 4.2960 4.2960 4.3210 4.3210 4.7993 4.7993 5.1348 5.1348 5.5266 5.5266 6.8025 6.8025 6.9217 6.9217 7.1444 7.1444 7.5886 7.5886 7.9363 7.9363 8.0054 8.0054 13.9275 13.9275 14.9110 14.9110 14.9550 14.9550 15.7488 15.7488 15.8916 15.8916 k = 0.5000-0.7232-0.5414 ( 3176 PWs) bands (ev): -31.2284 -31.2284 -31.2165 -31.2165 -14.0751 -14.0751 -13.8644 -13.8644 -12.4030 -12.4030 -12.2668 -12.2668 -11.2545 -11.2545 -11.1251 -11.1251 -10.7385 -10.7385 -10.5455 -10.5455 -6.2376 -6.2376 -6.1900 -6.1900 3.8994 3.8994 4.2954 4.2954 4.3127 4.3127 4.8027 4.8027 5.1423 5.1423 5.5240 5.5240 6.7897 6.7897 6.9373 6.9373 7.1411 7.1411 7.5822 7.5822 7.9489 7.9489 8.0039 8.0039 13.8992 13.8992 14.9202 14.9202 14.9861 14.9861 15.7441 15.7441 15.8745 15.8745 k = 0.5000-0.7122-0.5594 ( 3174 PWs) bands (ev): -31.2282 -31.2282 -31.2164 -31.2164 -14.0739 -14.0739 -13.8642 -13.8642 -12.4212 -12.4212 -12.2525 -12.2525 -11.2700 -11.2700 -11.1186 -11.1186 -10.7335 -10.7335 -10.5429 -10.5429 -6.2399 -6.2399 -6.1834 -6.1834 3.9024 3.9024 4.2933 4.2933 4.3037 4.3037 4.8070 4.8070 5.1515 5.1515 5.5207 5.5207 6.7770 6.7770 6.9536 6.9536 7.1368 7.1368 7.5754 7.5754 7.9625 7.9625 8.0034 8.0034 13.8657 13.8657 14.9299 14.9299 15.0250 15.0250 15.7380 15.7380 15.8537 15.8537 k = 0.5000-0.7011-0.5775 ( 3174 PWs) bands (ev): -31.2280 -31.2280 -31.2164 -31.2164 -14.0724 -14.0724 -13.8639 -13.8639 -12.4395 -12.4395 -12.2388 -12.2388 -11.2865 -11.2865 -11.1127 -11.1127 -10.7278 -10.7278 -10.5399 -10.5399 -6.2418 -6.2418 -6.1763 -6.1763 3.9061 3.9061 4.2854 4.2854 4.2986 4.2986 4.8124 4.8124 5.1620 5.1620 5.5167 5.5167 6.7648 6.7648 6.9702 6.9702 7.1317 7.1317 7.5688 7.5688 7.9731 7.9731 8.0070 8.0070 13.8284 13.8284 14.9408 14.9408 15.0695 15.0695 15.7306 15.7306 15.8300 15.8300 k = 0.5000-0.6901-0.5956 ( 3172 PWs) bands (ev): -31.2277 -31.2277 -31.2163 -31.2163 -14.0707 -14.0707 -13.8637 -13.8637 -12.4578 -12.4578 -12.2257 -12.2257 -11.3035 -11.3035 -11.1075 -11.1075 -10.7214 -10.7214 -10.5364 -10.5364 -6.2433 -6.2433 -6.1688 -6.1688 3.9103 3.9103 4.2723 4.2723 4.2968 4.2968 4.8189 4.8189 5.1735 5.1735 5.5122 5.5122 6.7532 6.7532 6.9867 6.9867 7.1258 7.1258 7.5628 7.5628 7.9763 7.9763 8.0187 8.0187 13.7885 13.7885 14.9532 14.9532 15.1182 15.1182 15.7217 15.7217 15.8043 15.8043 k = 0.5000-0.6790-0.6136 ( 3170 PWs) bands (ev): -31.2274 -31.2274 -31.2163 -31.2163 -14.0687 -14.0687 -13.8635 -13.8635 -12.4761 -12.4761 -12.2133 -12.2133 -11.3208 -11.3208 -11.1030 -11.1030 -10.7147 -10.7147 -10.5326 -10.5326 -6.2443 -6.2443 -6.1610 -6.1610 3.9151 3.9151 4.2574 4.2574 4.2954 4.2954 4.8265 4.8265 5.1856 5.1856 5.5071 5.5071 6.7425 6.7425 7.0030 7.0030 7.1193 7.1193 7.5578 7.5578 7.9736 7.9736 8.0363 8.0363 13.7468 13.7468 14.9669 14.9669 15.1698 15.1698 15.7106 15.7106 15.7781 15.7781 k = 0.5000-0.6680-0.6317 ( 3176 PWs) bands (ev): -31.2271 -31.2271 -31.2162 -31.2162 -14.0666 -14.0666 -13.8634 -13.8634 -12.4942 -12.4942 -12.2015 -12.2015 -11.3383 -11.3383 -11.0992 -11.0992 -10.7079 -10.7079 -10.5286 -10.5286 -6.2448 -6.2448 -6.1530 -6.1530 3.9202 3.9202 4.2415 4.2415 4.2937 4.2937 4.8353 4.8353 5.1980 5.1980 5.5015 5.5015 6.7328 6.7328 7.0189 7.0189 7.1124 7.1124 7.5541 7.5541 7.9684 7.9684 8.0562 8.0562 13.7043 13.7043 14.9821 14.9821 15.2232 15.2232 15.6962 15.6962 15.7531 15.7531 k = 0.5000-0.6570-0.6497 ( 3176 PWs) bands (ev): -31.2267 -31.2267 -31.2162 -31.2162 -14.0642 -14.0642 -13.8634 -13.8634 -12.5119 -12.5119 -12.1903 -12.1903 -11.3556 -11.3556 -11.0961 -11.0961 -10.7009 -10.7009 -10.5244 -10.5244 -6.2449 -6.2449 -6.1447 -6.1447 3.9258 3.9258 4.2250 4.2250 4.2915 4.2915 4.8452 4.8452 5.2103 5.2103 5.4955 5.4955 6.7242 6.7242 7.0340 7.0340 7.1054 7.1054 7.5519 7.5519 7.9616 7.9616 8.0771 8.0771 13.6616 13.6616 14.9984 14.9984 15.2776 15.2776 15.6765 15.6765 15.7321 15.7321 k = 0.5000-0.6459-0.6678 ( 3182 PWs) bands (ev): -31.2263 -31.2263 -31.2161 -31.2161 -14.0617 -14.0617 -13.8635 -13.8635 -12.5293 -12.5293 -12.1798 -12.1798 -11.3727 -11.3727 -11.0935 -11.0935 -10.6942 -10.6942 -10.5201 -10.5201 -6.2445 -6.2445 -6.1364 -6.1364 3.9314 3.9314 4.2084 4.2084 4.2888 4.2888 4.8564 4.8564 5.2223 5.2223 5.4891 5.4891 6.7167 6.7167 7.0479 7.0479 7.0987 7.0987 7.5512 7.5512 7.9537 7.9537 8.0982 8.0982 13.6193 13.6193 15.0159 15.0159 15.3322 15.3322 15.6510 15.6510 15.7163 15.7163 k = 0.5000-0.6349-0.6859 ( 3176 PWs) bands (ev): -31.2259 -31.2259 -31.2161 -31.2161 -14.0590 -14.0590 -13.8639 -13.8639 -12.5461 -12.5461 -12.1699 -12.1699 -11.3893 -11.3893 -11.0914 -11.0914 -10.6876 -10.6876 -10.5158 -10.5158 -6.2437 -6.2437 -6.1280 -6.1280 3.9371 3.9371 4.1922 4.1922 4.2854 4.2854 4.8688 4.8688 5.2335 5.2335 5.4825 5.4825 6.7105 6.7105 7.0599 7.0599 7.0934 7.0934 7.5520 7.5520 7.9449 7.9449 8.1192 8.1192 13.5777 13.5777 15.0344 15.0344 15.3864 15.3864 15.6217 15.6217 15.7044 15.7044 k = 0.5000-0.6238-0.7039 ( 3174 PWs) bands (ev): -31.2254 -31.2254 -31.2161 -31.2161 -14.0562 -14.0562 -13.8644 -13.8644 -12.5622 -12.5622 -12.1605 -12.1605 -11.4055 -11.4055 -11.0896 -11.0896 -10.6815 -10.6815 -10.5116 -10.5116 -6.2425 -6.2425 -6.1195 -6.1195 3.9424 3.9424 4.1767 4.1767 4.2813 4.2813 4.8824 4.8824 5.2438 5.2438 5.4757 5.4757 6.7055 6.7055 7.0674 7.0674 7.0921 7.0921 7.5542 7.5542 7.9353 7.9353 8.1397 8.1397 13.5372 13.5372 15.0536 15.0536 15.4393 15.4393 15.5910 15.5910 15.6950 15.6950 k = 0.5000-0.6128-0.7220 ( 3178 PWs) bands (ev): -31.2249 -31.2249 -31.2160 -31.2160 -14.0533 -14.0533 -13.8652 -13.8652 -12.5776 -12.5776 -12.1517 -12.1517 -11.4210 -11.4210 -11.0881 -11.0881 -10.6759 -10.6759 -10.5076 -10.5076 -6.2410 -6.2410 -6.1112 -6.1112 3.9471 3.9471 4.1626 4.1626 4.2765 4.2765 4.8972 4.8972 5.2528 5.2528 5.4687 5.4687 6.7018 6.7018 7.0678 7.0678 7.0972 7.0972 7.5579 7.5579 7.9250 7.9250 8.1595 8.1595 13.4981 13.4981 15.0734 15.0734 15.4885 15.4885 15.5616 15.5616 15.6876 15.6876 k = 0.5000-0.6017-0.7401 ( 3170 PWs) bands (ev): -31.2244 -31.2244 -31.2160 -31.2160 -14.0503 -14.0503 -13.8663 -13.8663 -12.5921 -12.5921 -12.1434 -12.1434 -11.4358 -11.4358 -11.0869 -11.0869 -10.6709 -10.6709 -10.5038 -10.5038 -6.2391 -6.2391 -6.1030 -6.1030 3.9507 3.9507 4.1504 4.1504 4.2708 4.2708 4.9131 4.9131 5.2603 5.2603 5.4617 5.4617 6.6994 6.6994 7.0647 7.0647 7.1057 7.1057 7.5629 7.5629 7.9140 7.9140 8.1785 8.1785 13.4608 13.4608 15.0935 15.0935 15.5127 15.5127 15.5550 15.5550 15.6825 15.6825 k = 0.5000-0.5907-0.7581 ( 3168 PWs) bands (ev): -31.2239 -31.2239 -31.2160 -31.2160 -14.0473 -14.0473 -13.8677 -13.8677 -12.6057 -12.6057 -12.1356 -12.1356 -11.4499 -11.4499 -11.0858 -11.0858 -10.6664 -10.6664 -10.5004 -10.5004 -6.2369 -6.2369 -6.0950 -6.0950 3.9527 3.9527 4.1407 4.1407 4.2644 4.2644 4.9301 4.9301 5.2662 5.2662 5.4548 5.4548 6.6983 6.6983 7.0611 7.0611 7.1143 7.1143 7.5690 7.5690 7.9024 7.9024 8.1965 8.1965 13.4253 13.4253 15.1137 15.1137 15.4896 15.4896 15.5921 15.5921 15.6813 15.6813 k = 0.5000-0.5797-0.7762 ( 3168 PWs) bands (ev): -31.2234 -31.2234 -31.2160 -31.2160 -14.0442 -14.0442 -13.8694 -13.8694 -12.6181 -12.6181 -12.1283 -12.1283 -11.4631 -11.4631 -11.0848 -11.0848 -10.6627 -10.6627 -10.4973 -10.4973 -6.2346 -6.2346 -6.0872 -6.0872 3.9526 3.9526 4.1342 4.1342 4.2572 4.2572 4.9479 4.9479 5.2704 5.2704 5.4479 5.4479 6.6985 6.6985 7.0581 7.0581 7.1220 7.1220 7.5762 7.5762 7.8902 7.8902 8.2133 8.2133 13.3920 13.3920 15.1336 15.1336 15.4612 15.4612 15.6255 15.6255 15.6895 15.6895 k = 0.5000-0.5686-0.7942 ( 3166 PWs) bands (ev): -31.2229 -31.2229 -31.2161 -31.2161 -14.0412 -14.0412 -13.8715 -13.8715 -12.6294 -12.6294 -12.1213 -12.1213 -11.4754 -11.4754 -11.0838 -11.0838 -10.6597 -10.6597 -10.4946 -10.4946 -6.2320 -6.2320 -6.0798 -6.0798 3.9502 3.9502 4.1311 4.1311 4.2493 4.2493 4.9667 4.9667 5.2726 5.2726 5.4412 5.4412 6.6998 6.6998 7.0562 7.0562 7.1286 7.1286 7.5843 7.5843 7.8774 7.8774 8.2289 8.2289 13.3610 13.3610 15.1527 15.1527 15.4338 15.4338 15.6416 15.6416 15.7147 15.7147 k = 0.5000-0.5576-0.8123 ( 3166 PWs) bands (ev): -31.2223 -31.2223 -31.2161 -31.2161 -14.0381 -14.0381 -13.8739 -13.8739 -12.6395 -12.6395 -12.1147 -12.1147 -11.4867 -11.4867 -11.0829 -11.0829 -10.6574 -10.6574 -10.4925 -10.4925 -6.2294 -6.2294 -6.0727 -6.0727 3.9454 3.9454 4.1315 4.1315 4.2407 4.2407 4.9861 4.9861 5.2729 5.2729 5.4346 5.4346 6.7023 6.7023 7.0554 7.0554 7.1339 7.1339 7.5931 7.5931 7.8642 7.8642 8.2431 8.2431 13.3324 13.3324 15.1704 15.1704 15.4086 15.4086 15.6464 15.6464 15.7503 15.7503 k = 0.5000-0.5465-0.8304 ( 3168 PWs) bands (ev): -31.2218 -31.2218 -31.2162 -31.2162 -14.0352 -14.0352 -13.8767 -13.8767 -12.6482 -12.6482 -12.1084 -12.1084 -11.4970 -11.4970 -11.0819 -11.0819 -10.6558 -10.6558 -10.4908 -10.4908 -6.2267 -6.2267 -6.0662 -6.0662 3.9386 3.9386 4.1351 4.1351 4.2317 4.2317 5.0061 5.0061 5.2712 5.2712 5.4283 5.4283 6.7058 6.7058 7.0559 7.0559 7.1379 7.1379 7.6027 7.6027 7.8505 7.8505 8.2559 8.2559 13.3064 13.3064 15.1861 15.1861 15.3867 15.3867 15.6484 15.6484 15.7873 15.7873 k = 0.5000-0.5355-0.8484 ( 3172 PWs) bands (ev): -31.2212 -31.2212 -31.2163 -31.2163 -14.0323 -14.0323 -13.8797 -13.8797 -12.6556 -12.6556 -12.1024 -12.1024 -11.5064 -11.5064 -11.0809 -11.0809 -10.6550 -10.6550 -10.4897 -10.4897 -6.2240 -6.2240 -6.0601 -6.0601 3.9304 3.9304 4.1415 4.1415 4.2222 4.2222 5.0265 5.0265 5.2676 5.2676 5.4222 5.4222 6.7102 6.7102 7.0577 7.0577 7.1406 7.1406 7.6128 7.6128 7.8362 7.8362 8.2671 8.2671 13.2832 13.2832 15.1984 15.1984 15.3693 15.3693 15.6503 15.6503 15.8230 15.8230 k = 0.5000-0.5244-0.8665 ( 3178 PWs) bands (ev): -31.2207 -31.2207 -31.2165 -31.2165 -14.0297 -14.0297 -13.8831 -13.8831 -12.6616 -12.6616 -12.0966 -12.0966 -11.5147 -11.5147 -11.0799 -11.0799 -10.6550 -10.6550 -10.4891 -10.4891 -6.2215 -6.2215 -6.0547 -6.0547 3.9213 3.9213 4.1498 4.1498 4.2125 4.2125 5.0471 5.0471 5.2621 5.2621 5.4165 5.4165 6.7153 6.7153 7.0606 7.0606 7.1421 7.1421 7.6234 7.6234 7.8215 7.8215 8.2767 8.2767 13.2628 13.2628 15.2063 15.2063 15.3576 15.3576 15.6530 15.6530 15.8562 15.8562 k = 0.5000-0.5134-0.8846 ( 3180 PWs) bands (ev): -31.2202 -31.2202 -31.2167 -31.2167 -14.0272 -14.0272 -13.8865 -13.8865 -12.6662 -12.6662 -12.0910 -12.0910 -11.5220 -11.5220 -11.0787 -11.0787 -10.6556 -10.6556 -10.4891 -10.4891 -6.2190 -6.2190 -6.0499 -6.0499 3.9118 3.9118 4.1594 4.1594 4.2030 4.2030 5.0677 5.0677 5.2547 5.2547 5.4110 5.4110 6.7211 6.7211 7.0646 7.0646 7.1425 7.1425 7.6344 7.6344 7.8063 7.8063 8.2846 8.2846 13.2454 13.2454 15.2086 15.2086 15.3526 15.3526 15.6568 15.6568 15.8867 15.8867 k = 0.5000-0.5024-0.9026 ( 3178 PWs) bands (ev): -31.2197 -31.2197 -31.2169 -31.2169 -14.0250 -14.0250 -13.8901 -13.8901 -12.6693 -12.6693 -12.0856 -12.0856 -11.5282 -11.5282 -11.0775 -11.0775 -10.6569 -10.6569 -10.4895 -10.4895 -6.2168 -6.2168 -6.0458 -6.0458 3.9024 3.9024 4.1687 4.1687 4.1950 4.1950 5.0881 5.0881 5.2457 5.2457 5.4060 5.4060 6.7271 6.7271 7.0696 7.0696 7.1420 7.1420 7.6456 7.6456 7.7906 7.7906 8.2908 8.2908 13.2310 13.2310 15.2057 15.2057 15.3540 15.3540 15.6618 15.6618 15.9140 15.9140 k = 0.5000-0.4913-0.9207 ( 3182 PWs) bands (ev): -31.2192 -31.2192 -31.2171 -31.2171 -14.0233 -14.0233 -13.8936 -13.8936 -12.6710 -12.6710 -12.0803 -12.0803 -11.5333 -11.5333 -11.0761 -11.0761 -10.6588 -10.6588 -10.4905 -10.4905 -6.2149 -6.2149 -6.0425 -6.0425 3.8934 3.8934 4.1718 4.1718 4.1939 4.1939 5.1080 5.1080 5.2353 5.2353 5.4013 5.4013 6.7333 6.7333 7.0754 7.0754 7.1409 7.1409 7.6570 7.6570 7.7744 7.7744 8.2953 8.2953 13.2198 13.2198 15.1992 15.1992 15.3600 15.3600 15.6682 15.6682 15.9382 15.9382 k = 0.5000-0.4803-0.9387 ( 3180 PWs) bands (ev): -31.2188 -31.2188 -31.2174 -31.2174 -14.0220 -14.0220 -13.8969 -13.8969 -12.6713 -12.6713 -12.0752 -12.0752 -11.5372 -11.5372 -11.0747 -11.0747 -10.6614 -10.6614 -10.4919 -10.4919 -6.2134 -6.2134 -6.0401 -6.0401 3.8851 3.8851 4.1657 4.1657 4.2029 4.2029 5.1271 5.1271 5.2236 5.2236 5.3970 5.3970 6.7394 6.7394 7.0818 7.0818 7.1395 7.1395 7.6685 7.6685 7.7576 7.7576 8.2979 8.2979 13.2118 13.2118 15.1909 15.1909 15.3689 15.3689 15.6759 15.6759 15.9591 15.9591 k = 0.5000-0.4692-0.9568 ( 3168 PWs) bands (ev): -31.2183 -31.2183 -31.2178 -31.2178 -14.0212 -14.0212 -13.8998 -13.8998 -12.6702 -12.6702 -12.0703 -12.0703 -11.5401 -11.5401 -11.0731 -11.0731 -10.6645 -10.6645 -10.4937 -10.4937 -6.2122 -6.2122 -6.0385 -6.0385 3.8776 3.8776 4.1568 4.1568 4.2153 4.2153 5.1450 5.1450 5.2112 5.2112 5.3932 5.3932 6.7450 6.7450 7.0885 7.0885 7.1380 7.1380 7.6800 7.6800 7.7403 7.7403 8.2987 8.2987 13.2070 13.2070 15.1823 15.1823 15.3791 15.3791 15.6849 15.6849 15.9765 15.9765 k = 0.5000-0.4582-0.9749 ( 3168 PWs) bands (ev): -31.2182 -31.2182 -31.2179 -31.2179 -14.0212 -14.0212 -13.9022 -13.9022 -12.6678 -12.6678 -12.0656 -12.0656 -11.5419 -11.5419 -11.0714 -11.0714 -10.6682 -10.6682 -10.4960 -10.4960 -6.2116 -6.2116 -6.0378 -6.0378 3.8712 3.8712 4.1476 4.1476 4.2285 4.2285 5.1601 5.1601 5.1995 5.1995 5.3899 5.3899 6.7499 6.7499 7.0953 7.0953 7.1368 7.1368 7.6914 7.6914 7.7224 7.7224 8.2976 8.2976 13.2055 13.2055 15.1741 15.1741 15.3897 15.3897 15.6949 15.6949 15.9902 15.9902 k = 0.5000-0.4472-0.9929 ( 3170 PWs) bands (ev): -31.2186 -31.2186 -31.2175 -31.2175 -14.0220 -14.0220 -13.9038 -13.9038 -12.6641 -12.6641 -12.0610 -12.0610 -11.5425 -11.5425 -11.0696 -11.0696 -10.6724 -10.6724 -10.4986 -10.4986 -6.2115 -6.2115 -6.0381 -6.0381 3.8659 3.8659 4.1387 4.1387 4.2418 4.2418 5.1666 5.1666 5.1942 5.1942 5.3870 5.3870 6.7538 6.7538 7.1019 7.1019 7.1363 7.1363 7.7002 7.7002 7.7066 7.7066 8.2947 8.2947 13.2073 13.2073 15.1667 15.1667 15.4002 15.4002 15.7059 15.7059 15.9992 15.9992 k = 0.5000-0.4361-1.0110 ( 3164 PWs) bands (ev): -31.2191 -31.2191 -31.2172 -31.2172 -14.0237 -14.0237 -13.9045 -13.9045 -12.6593 -12.6593 -12.0566 -12.0566 -11.5419 -11.5419 -11.0676 -11.0676 -10.6771 -10.6771 -10.5014 -10.5014 -6.2121 -6.2121 -6.0395 -6.0395 3.8618 3.8618 4.1302 4.1302 4.2550 4.2550 5.1583 5.1583 5.2016 5.2016 5.3846 5.3846 6.7565 6.7565 7.1081 7.1081 7.1367 7.1367 7.6839 7.6839 7.7152 7.7152 8.2899 8.2899 13.2124 13.2124 15.1604 15.1604 15.4105 15.4105 15.7175 15.7175 16.0019 16.0019 k = 0.5000-0.4251-1.0290 ( 3160 PWs) bands (ev): -31.2197 -31.2197 -31.2169 -31.2169 -14.0263 -14.0263 -13.9042 -13.9042 -12.6533 -12.6533 -12.0525 -12.0525 -11.5401 -11.5401 -11.0656 -11.0656 -10.6821 -10.6821 -10.5045 -10.5045 -6.2133 -6.2133 -6.0419 -6.0419 3.8590 3.8590 4.1225 4.1225 4.2679 4.2679 5.1444 5.1444 5.2125 5.2125 5.3829 5.3829 6.7577 6.7577 7.1135 7.1135 7.1384 7.1384 7.6641 7.6641 7.7264 7.7264 8.2832 8.2832 13.2208 13.2208 15.1552 15.1552 15.4204 15.4204 15.7293 15.7293 15.9973 15.9973 k = 0.8131-0.3321-0.8475 ( 3160 PWs) bands (ev): -31.2197 -31.2197 -31.2169 -31.2169 -14.0263 -14.0263 -13.9042 -13.9042 -12.6533 -12.6533 -12.0525 -12.0525 -11.5401 -11.5401 -11.0656 -11.0656 -10.6821 -10.6821 -10.5045 -10.5045 -6.2133 -6.2133 -6.0419 -6.0419 3.8590 3.8590 4.1225 4.1225 4.2679 4.2679 5.1444 5.1444 5.2125 5.2125 5.3829 5.3829 6.7577 6.7577 7.1135 7.1135 7.1384 7.1384 7.6641 7.6641 7.7264 7.7264 8.2832 8.2832 13.2208 13.2208 15.1552 15.1552 15.4204 15.4204 15.7293 15.7293 15.9973 15.9973 k = 0.8071-0.3228-0.8294 ( 3158 PWs) bands (ev): -31.2203 -31.2203 -31.2166 -31.2166 -14.0298 -14.0298 -13.9028 -13.9028 -12.6464 -12.6464 -12.0486 -12.0486 -11.5372 -11.5372 -11.0635 -11.0635 -10.6874 -10.6874 -10.5077 -10.5077 -6.2153 -6.2153 -6.0454 -6.0454 3.8575 3.8575 4.1156 4.1156 4.2801 4.2801 5.1293 5.1293 5.2225 5.2225 5.3816 5.3816 6.7574 6.7574 7.1178 7.1178 7.1415 7.1415 7.6438 7.6438 7.7377 7.7377 8.2748 8.2748 13.2324 13.2324 15.1508 15.1508 15.4300 15.4300 15.7408 15.7408 15.9880 15.9880 k = 0.8011-0.3136-0.8114 ( 3160 PWs) bands (ev): -31.2209 -31.2209 -31.2164 -31.2164 -14.0341 -14.0341 -13.9003 -13.9003 -12.6385 -12.6385 -12.0451 -12.0451 -11.5331 -11.5331 -11.0614 -11.0614 -10.6930 -10.6930 -10.5111 -10.5111 -6.2181 -6.2181 -6.0500 -6.0500 3.8573 3.8573 4.1097 4.1097 4.2916 4.2916 5.1141 5.1141 5.2305 5.2305 5.3810 5.3810 6.7555 6.7555 7.1209 7.1209 7.1460 7.1460 7.6228 7.6228 7.7490 7.7490 8.2645 8.2645 13.2472 13.2472 15.1469 15.1469 15.4396 15.4396 15.7514 15.7514 15.9771 15.9771 k = 0.7951-0.3043-0.7933 ( 3168 PWs) bands (ev): -31.2217 -31.2217 -31.2162 -31.2162 -14.0391 -14.0391 -13.8967 -13.8967 -12.6299 -12.6299 -12.0418 -12.0418 -11.5278 -11.5278 -11.0591 -11.0591 -10.6987 -10.6987 -10.5145 -10.5145 -6.2216 -6.2216 -6.0558 -6.0558 3.8584 3.8584 4.1049 4.1049 4.3022 4.3022 5.0992 5.0992 5.2362 5.2362 5.3807 5.3807 6.7522 6.7522 7.1227 7.1227 7.1516 7.1516 7.6015 7.6015 7.7602 7.7602 8.2526 8.2526 13.2651 13.2651 15.1433 15.1433 15.4494 15.4494 15.7601 15.7601 15.9665 15.9665 k = 0.7890-0.2951-0.7753 ( 3164 PWs) bands (ev): -31.2224 -31.2224 -31.2161 -31.2161 -14.0446 -14.0446 -13.8921 -13.8921 -12.6206 -12.6206 -12.0388 -12.0388 -11.5214 -11.5214 -11.0568 -11.0568 -10.7046 -10.7046 -10.5180 -10.5180 -6.2261 -6.2261 -6.0627 -6.0627 3.8607 3.8607 4.1012 4.1012 4.3117 4.3117 5.0850 5.0850 5.2396 5.2396 5.3808 5.3808 6.7474 6.7474 7.1230 7.1230 7.1581 7.1581 7.5798 7.5798 7.7714 7.7714 8.2390 8.2390 13.2861 13.2861 15.1395 15.1395 15.4597 15.4597 15.7661 15.7661 15.9569 15.9569 k = 0.7830-0.2858-0.7572 ( 3164 PWs) bands (ev): -31.2233 -31.2233 -31.2160 -31.2160 -14.0505 -14.0505 -13.8865 -13.8865 -12.6107 -12.6107 -12.0362 -12.0362 -11.5139 -11.5139 -11.0545 -11.0545 -10.7105 -10.7105 -10.5213 -10.5213 -6.2314 -6.2314 -6.0708 -6.0708 3.8644 3.8644 4.0988 4.0988 4.3200 4.3200 5.0717 5.0717 5.2405 5.2405 5.3809 5.3809 6.7415 6.7415 7.1215 7.1215 7.1654 7.1654 7.5580 7.5580 7.7826 7.7826 8.2237 8.2237 13.3099 13.3099 15.1353 15.1353 15.4708 15.4708 15.7686 15.7686 15.9487 15.9487 k = 0.7770-0.2766-0.7392 ( 3158 PWs) bands (ev): -31.2241 -31.2241 -31.2160 -31.2160 -14.0567 -14.0567 -13.8800 -13.8800 -12.6003 -12.6003 -12.0338 -12.0338 -11.5053 -11.5053 -11.0520 -11.0520 -10.7163 -10.7163 -10.5246 -10.5246 -6.2377 -6.2377 -6.0800 -6.0800 3.8691 3.8691 4.0977 4.0977 4.3271 4.3271 5.0597 5.0597 5.2391 5.2391 5.3808 5.3808 6.7347 6.7347 7.1181 7.1181 7.1731 7.1731 7.5362 7.5362 7.7937 7.7937 8.2070 8.2070 13.3366 13.3366 15.1301 15.1301 15.4829 15.4829 15.7671 15.7671 15.9419 15.9419 k = 0.7710-0.2674-0.7212 ( 3164 PWs) bands (ev): -31.2251 -31.2251 -31.2160 -31.2160 -14.0631 -14.0631 -13.8726 -13.8726 -12.5897 -12.5897 -12.0318 -12.0318 -11.4957 -11.4957 -11.0495 -11.0495 -10.7220 -10.7220 -10.5277 -10.5277 -6.2450 -6.2450 -6.0904 -6.0904 3.8750 3.8750 4.0980 4.0980 4.3327 4.3327 5.0491 5.0491 5.2356 5.2356 5.3802 5.3802 6.7271 6.7271 7.1126 7.1126 7.1809 7.1809 7.5147 7.5147 7.8049 7.8049 8.1890 8.1890 13.3660 13.3660 15.1238 15.1238 15.4960 15.4960 15.7615 15.7615 15.9370 15.9370 k = 0.7650-0.2581-0.7031 ( 3166 PWs) bands (ev): -31.2261 -31.2261 -31.2161 -31.2161 -14.0695 -14.0695 -13.8643 -13.8643 -12.5789 -12.5789 -12.0300 -12.0300 -11.4851 -11.4851 -11.0470 -11.0470 -10.7274 -10.7274 -10.5307 -10.5307 -6.2532 -6.2532 -6.1020 -6.1020 3.8818 3.8818 4.0998 4.0998 4.3368 4.3368 5.0402 5.0402 5.2299 5.2299 5.3788 5.3788 6.7191 6.7191 7.1047 7.1047 7.1885 7.1885 7.4937 7.4937 7.8161 7.8161 8.1696 8.1696 13.3978 13.3978 15.1162 15.1162 15.5099 15.5099 15.7518 15.7518 15.9341 15.9341 k = 0.7589-0.2489-0.6851 ( 3166 PWs) bands (ev): -31.2272 -31.2272 -31.2162 -31.2162 -14.0759 -14.0759 -13.8552 -13.8552 -12.5679 -12.5679 -12.0285 -12.0285 -11.4737 -11.4737 -11.0443 -11.0443 -10.7326 -10.7326 -10.5333 -10.5333 -6.2624 -6.2624 -6.1147 -6.1147 3.8895 3.8895 4.1031 4.1031 4.3396 4.3396 5.0330 5.0330 5.2224 5.2224 5.3765 5.3765 6.7107 6.7107 7.0944 7.0944 7.1955 7.1955 7.4736 7.4736 7.8272 7.8272 8.1492 8.1492 13.4321 13.4321 15.1073 15.1073 15.5243 15.5243 15.7382 15.7382 15.9339 15.9339 k = 0.7529-0.2396-0.6670 ( 3170 PWs) bands (ev): -31.2283 -31.2283 -31.2164 -31.2164 -14.0821 -14.0821 -13.8454 -13.8454 -12.5570 -12.5570 -12.0271 -12.0271 -11.4617 -11.4617 -11.0416 -11.0416 -10.7374 -10.7374 -10.5358 -10.5358 -6.2726 -6.2726 -6.1286 -6.1286 3.8978 3.8978 4.1078 4.1078 4.3409 4.3409 5.0277 5.0277 5.2130 5.2130 5.3729 5.3729 6.7021 6.7021 7.0816 7.0816 7.2014 7.2014 7.4548 7.4548 7.8381 7.8381 8.1279 8.1279 13.4684 13.4684 15.0969 15.0969 15.5385 15.5385 15.7212 15.7212 15.9369 15.9369 k = 0.7469-0.2304-0.6490 ( 3174 PWs) bands (ev): -31.2294 -31.2294 -31.2166 -31.2166 -14.0882 -14.0882 -13.8348 -13.8348 -12.5463 -12.5463 -12.0258 -12.0258 -11.4490 -11.4490 -11.0388 -11.0388 -10.7418 -10.7418 -10.5378 -10.5378 -6.2838 -6.2838 -6.1435 -6.1435 3.9067 3.9067 4.1141 4.1141 4.3409 4.3409 5.0244 5.0244 5.2018 5.2018 5.3680 5.3680 6.6936 6.6936 7.0663 7.0663 7.2056 7.2056 7.4378 7.4378 7.8487 7.8487 8.1059 8.1059 13.5068 13.5068 15.0853 15.0853 15.5518 15.5518 15.7010 15.7010 15.9439 15.9439 k = 0.7409-0.2212-0.6309 ( 3180 PWs) bands (ev): -31.2306 -31.2306 -31.2169 -31.2169 -14.0940 -14.0940 -13.8235 -13.8235 -12.5358 -12.5358 -12.0246 -12.0246 -11.4358 -11.4358 -11.0357 -11.0357 -10.7457 -10.7457 -10.5396 -10.5396 -6.2960 -6.2960 -6.1595 -6.1595 3.9159 3.9159 4.1218 4.1218 4.3398 4.3398 5.0231 5.0231 5.1890 5.1890 5.3618 5.3618 6.6851 6.6851 7.0486 7.0486 7.2077 7.2077 7.4231 7.4231 7.8588 7.8588 8.0836 8.0836 13.5470 13.5470 15.0724 15.0724 15.5635 15.5635 15.6781 15.6781 15.9553 15.9553 k = 0.7348-0.2119-0.6129 ( 3174 PWs) bands (ev): -31.2319 -31.2319 -31.2173 -31.2173 -14.0995 -14.0995 -13.8114 -13.8114 -12.5257 -12.5257 -12.0234 -12.0234 -11.4223 -11.4223 -11.0325 -11.0325 -10.7491 -10.7491 -10.5410 -10.5410 -6.3092 -6.3092 -6.1764 -6.1764 3.9252 3.9252 4.1311 4.1311 4.3376 4.3376 5.0238 5.0238 5.1746 5.1746 5.3540 5.3540 6.6767 6.6767 7.0284 7.0284 7.2072 7.2072 7.4111 7.4111 7.8679 7.8679 8.0615 8.0615 13.5888 13.5888 15.0586 15.0586 15.5730 15.5730 15.6528 15.6528 15.9718 15.9718 k = 0.7288-0.2027-0.5948 ( 3176 PWs) bands (ev): -31.2332 -31.2332 -31.2176 -31.2176 -14.1047 -14.1047 -13.7986 -13.7986 -12.5161 -12.5161 -12.0221 -12.0221 -11.4086 -11.4086 -11.0290 -11.0290 -10.7519 -10.7519 -10.5419 -10.5419 -6.3233 -6.3233 -6.1944 -6.1944 3.9345 3.9345 4.1419 4.1419 4.3347 4.3347 5.0264 5.0264 5.1587 5.1587 5.3449 5.3449 6.6686 6.6686 7.0059 7.0059 7.2039 7.2039 7.4023 7.4023 7.8754 7.8754 8.0404 8.0404 13.6319 13.6319 15.0439 15.0439 15.5797 15.5797 15.6257 15.6257 15.9933 15.9933 k = 0.7228-0.1934-0.5768 ( 3182 PWs) bands (ev): -31.2346 -31.2346 -31.2181 -31.2181 -14.1095 -14.1095 -13.7851 -13.7851 -12.5070 -12.5070 -12.0208 -12.0208 -11.3949 -11.3949 -11.0251 -11.0251 -10.7541 -10.7541 -10.5425 -10.5425 -6.3385 -6.3385 -6.2132 -6.2132 3.9435 3.9435 4.1541 4.1541 4.3312 4.3312 5.0308 5.0308 5.1414 5.1414 5.3342 5.3342 6.6606 6.6606 6.9813 6.9813 7.1976 7.1976 7.3965 7.3965 7.8801 7.8801 8.0215 8.0215 13.6762 13.6762 15.0285 15.0285 15.5819 15.5819 15.5984 15.5984 16.0197 16.0197 k = 0.7168-0.1842-0.5588 ( 3180 PWs) bands (ev): -31.2360 -31.2360 -31.2186 -31.2186 -14.1140 -14.1140 -13.7709 -13.7709 -12.4986 -12.4986 -12.0192 -12.0192 -11.3813 -11.3813 -11.0209 -11.0209 -10.7557 -10.7557 -10.5426 -10.5426 -6.3545 -6.3545 -6.2329 -6.2329 3.9520 3.9520 4.1676 4.1676 4.3273 4.3273 5.0370 5.0370 5.1228 5.1228 5.3222 5.3222 6.6529 6.6529 6.9548 6.9548 7.1887 7.1887 7.3936 7.3936 7.8801 7.8801 8.0066 8.0066 13.7214 13.7214 15.0126 15.0126 15.5628 15.5628 15.5885 15.5885 16.0505 16.0505 k = 0.7108-0.1749-0.5407 ( 3182 PWs) bands (ev): -31.2374 -31.2374 -31.2191 -31.2191 -14.1181 -14.1181 -13.7562 -13.7562 -12.4908 -12.4908 -12.0174 -12.0174 -11.3679 -11.3679 -11.0162 -11.0162 -10.7566 -10.7566 -10.5422 -10.5422 -6.3714 -6.3714 -6.2534 -6.2534 3.9599 3.9599 4.1824 4.1824 4.3234 4.3234 5.0447 5.0447 5.1031 5.1031 5.3087 5.3087 6.6455 6.6455 6.9265 6.9265 7.1777 7.1777 7.3930 7.3930 7.8738 7.8738 7.9976 7.9976 13.7672 13.7672 14.9962 14.9962 15.5315 15.5315 15.5872 15.5872 16.0851 16.0851 k = 0.7047-0.1657-0.5227 ( 3188 PWs) bands (ev): -31.2389 -31.2389 -31.2197 -31.2197 -14.1219 -14.1219 -13.7408 -13.7408 -12.4837 -12.4837 -12.0154 -12.0154 -11.3549 -11.3549 -11.0109 -11.0109 -10.7570 -10.7570 -10.5414 -10.5414 -6.3892 -6.3892 -6.2746 -6.2746 3.9668 3.9668 4.1983 4.1983 4.3195 4.3195 5.0537 5.0537 5.0827 5.0827 5.2939 5.2939 6.6383 6.6383 6.8968 6.8968 7.1653 7.1653 7.3942 7.3942 7.8606 7.8606 7.9950 7.9950 13.8136 13.8136 14.9795 14.9795 15.4984 15.4984 15.5848 15.5848 16.1226 16.1226 k = 0.6987-0.1565-0.5046 ( 3188 PWs) bands (ev): -31.2404 -31.2404 -31.2203 -31.2203 -14.1252 -14.1252 -13.7248 -13.7248 -12.4774 -12.4774 -12.0131 -12.0131 -11.3424 -11.3424 -11.0051 -11.0051 -10.7568 -10.7568 -10.5401 -10.5401 -6.4079 -6.4079 -6.2964 -6.2964 3.9729 3.9729 4.2152 4.2152 4.3158 4.3158 5.0577 5.0577 5.0677 5.0677 5.2777 5.2777 6.6313 6.6313 6.8660 6.8660 7.1520 7.1520 7.3966 7.3966 7.8419 7.8419 7.9975 7.9975 13.8602 13.8602 14.9626 14.9626 15.4644 15.4644 15.5811 15.5811 16.1624 16.1624 k = 0.6927-0.1472-0.4866 ( 3182 PWs) bands (ev): -31.2420 -31.2420 -31.2209 -31.2209 -14.1282 -14.1282 -13.7083 -13.7083 -12.4718 -12.4718 -12.0106 -12.0106 -11.3304 -11.3304 -10.9987 -10.9987 -10.7561 -10.7561 -10.5383 -10.5383 -6.4273 -6.4273 -6.3187 -6.3187 3.9779 3.9779 4.2328 4.2328 4.3125 4.3125 5.0378 5.0378 5.0772 5.0772 5.2604 5.2604 6.6247 6.6247 6.8345 6.8345 7.1382 7.1382 7.3998 7.3998 7.8196 7.8196 8.0032 8.0032 13.9069 13.9069 14.9456 14.9456 15.4296 15.4296 15.5765 15.5765 16.2034 16.2034 k = 0.6867-0.1380-0.4685 ( 3174 PWs) bands (ev): -31.2435 -31.2435 -31.2216 -31.2216 -14.1308 -14.1308 -13.6912 -13.6912 -12.4669 -12.4669 -12.0078 -12.0078 -11.3190 -11.3190 -10.9916 -10.9916 -10.7548 -10.7548 -10.5360 -10.5360 -6.4474 -6.4474 -6.3415 -6.3415 3.9819 3.9819 4.2509 4.2509 4.3097 4.3097 5.0156 5.0156 5.0894 5.0894 5.2419 5.2419 6.6182 6.6182 6.8026 6.8026 7.1243 7.1243 7.4035 7.4035 7.7951 7.7951 8.0106 8.0106 13.9535 13.9535 14.9286 14.9286 15.3944 15.3944 15.5713 15.5713 16.2451 16.2451 k = 0.6807-0.1287-0.4505 ( 3170 PWs) bands (ev): -31.2451 -31.2451 -31.2224 -31.2224 -14.1331 -14.1331 -13.6738 -13.6738 -12.4626 -12.4626 -12.0048 -12.0048 -11.3082 -11.3082 -10.9839 -10.9839 -10.7531 -10.7531 -10.5333 -10.5333 -6.4683 -6.4683 -6.3646 -6.3646 3.9849 3.9849 4.2688 4.2688 4.3076 4.3076 4.9933 4.9933 5.1023 5.1023 5.2224 5.2224 6.6121 6.6121 6.7708 6.7708 7.1105 7.1105 7.4074 7.4074 7.7695 7.7695 8.0189 8.0189 13.9996 13.9996 14.9115 14.9115 15.3588 15.3588 15.5655 15.5655 16.2865 16.2865 k = 0.6746-0.1195-0.4325 ( 3168 PWs) bands (ev): -31.2467 -31.2467 -31.2231 -31.2231 -14.1350 -14.1350 -13.6559 -13.6559 -12.4590 -12.4590 -12.0017 -12.0017 -11.2981 -11.2981 -10.9756 -10.9756 -10.7509 -10.7509 -10.5301 -10.5301 -6.4898 -6.4898 -6.3879 -6.3879 3.9871 3.9871 4.2848 4.2848 4.3076 4.3076 4.9713 4.9713 5.1152 5.1152 5.2021 5.2021 6.6061 6.6061 6.7397 6.7397 7.0972 7.0972 7.4113 7.4113 7.7432 7.7432 8.0274 8.0274 14.0453 14.0453 14.8946 14.8946 15.3230 15.3230 15.5596 15.5596 16.3268 16.3268 k = 0.6686-0.1103-0.4144 ( 3170 PWs) bands (ev): -31.2483 -31.2483 -31.2239 -31.2239 -14.1367 -14.1367 -13.6377 -13.6377 -12.4560 -12.4560 -11.9984 -11.9984 -11.2886 -11.2886 -10.9668 -10.9668 -10.7484 -10.7484 -10.5265 -10.5265 -6.5118 -6.5118 -6.4115 -6.4115 3.9886 3.9886 4.2933 4.2933 4.3150 4.3150 4.9501 4.9501 5.1275 5.1275 5.1815 5.1815 6.6003 6.6003 6.7098 6.7098 7.0844 7.0844 7.4149 7.4149 7.7166 7.7166 8.0358 8.0358 14.0902 14.0902 14.8777 14.8777 15.2873 15.2873 15.5535 15.5535 16.3654 16.3654 k = 0.6626-0.1010-0.3964 ( 3168 PWs) bands (ev): -31.2499 -31.2499 -31.2247 -31.2247 -14.1380 -14.1380 -13.6192 -13.6192 -12.4534 -12.4534 -11.9951 -11.9951 -11.2796 -11.2796 -10.9575 -10.9575 -10.7456 -10.7456 -10.5224 -10.5224 -6.5344 -6.5344 -6.4351 -6.4351 3.9895 3.9895 4.2937 4.2937 4.3295 4.3295 4.9302 4.9302 5.1365 5.1365 5.1627 5.1627 6.5947 6.5947 6.6817 6.6817 7.0722 7.0722 7.4183 7.4183 7.6901 7.6901 8.0439 8.0439 14.1342 14.1342 14.8611 14.8611 15.2518 15.2518 15.5474 15.5474 16.4014 16.4014 k = 0.6566-0.0918-0.3783 ( 3168 PWs) bands (ev): -31.2515 -31.2515 -31.2255 -31.2255 -14.1390 -14.1390 -13.6005 -13.6005 -12.4513 -12.4513 -11.9918 -11.9918 -11.2712 -11.2712 -10.9479 -10.9479 -10.7425 -10.7425 -10.5180 -10.5180 -6.5573 -6.5573 -6.4586 -6.4586 3.9902 3.9902 4.2919 4.2919 4.3449 4.3449 4.9121 4.9121 5.1292 5.1292 5.1585 5.1585 6.5891 6.5891 6.6562 6.6562 7.0608 7.0608 7.4212 7.4212 7.6637 7.6637 8.0513 8.0513 14.1772 14.1772 14.8446 14.8446 15.2165 15.2165 15.5414 15.5414 16.4341 16.4341 k = 0.6505-0.0825-0.3603 ( 3168 PWs) bands (ev): -31.2531 -31.2531 -31.2264 -31.2264 -14.1398 -14.1398 -13.5817 -13.5817 -12.4494 -12.4494 -11.9886 -11.9886 -11.2631 -11.2631 -10.9379 -10.9379 -10.7392 -10.7392 -10.5133 -10.5133 -6.5806 -6.5806 -6.4820 -6.4820 3.9908 3.9908 4.2892 4.2892 4.3590 4.3590 4.8963 4.8963 5.1086 5.1086 5.1655 5.1655 6.5834 6.5834 6.6340 6.6340 7.0503 7.0503 7.4235 7.4235 7.6377 7.6377 8.0580 8.0580 14.2190 14.2190 14.8284 14.8284 15.1818 15.1818 15.5355 15.5355 16.4625 16.4625 k = 0.6445-0.0733-0.3422 ( 3166 PWs) bands (ev): -31.2547 -31.2547 -31.2272 -31.2272 -14.1404 -14.1404 -13.5628 -13.5628 -12.4478 -12.4478 -11.9855 -11.9855 -11.2553 -11.2553 -10.9278 -10.9278 -10.7358 -10.7358 -10.5082 -10.5082 -6.6042 -6.6042 -6.5053 -6.5053 3.9916 3.9916 4.2859 4.2859 4.3706 4.3706 4.8835 4.8835 5.0859 5.0859 5.1721 5.1721 6.5773 6.5773 6.6160 6.6160 7.0407 7.0407 7.4252 7.4252 7.6121 7.6121 8.0638 8.0638 14.2594 14.2594 14.8126 14.8126 15.1477 15.1477 15.5297 15.5297 16.4860 16.4860 k = 0.6385-0.0640-0.3242 ( 3158 PWs) bands (ev): -31.2563 -31.2563 -31.2281 -31.2281 -14.1407 -14.1407 -13.5439 -13.5439 -12.4462 -12.4462 -11.9826 -11.9826 -11.2478 -11.2478 -10.9176 -10.9176 -10.7323 -10.7323 -10.5029 -10.5029 -6.6279 -6.6279 -6.5282 -6.5282 3.9927 3.9927 4.2821 4.2821 4.3793 4.3793 4.8739 4.8739 5.0630 5.0630 5.1763 5.1763 6.5709 6.5709 6.6028 6.6028 7.0321 7.0321 7.4262 7.4262 7.5871 7.5871 8.0686 8.0686 14.2984 14.2984 14.7971 14.7971 15.1143 15.1143 15.5241 15.5241 16.5035 16.5035 k = 0.6325-0.0548-0.3062 ( 3156 PWs) bands (ev): -31.2578 -31.2578 -31.2290 -31.2290 -14.1408 -14.1408 -13.5251 -13.5251 -12.4448 -12.4448 -11.9800 -11.9800 -11.2405 -11.2405 -10.9073 -10.9073 -10.7288 -10.7288 -10.4975 -10.4975 -6.6517 -6.6517 -6.5507 -6.5507 3.9943 3.9943 4.2778 4.2778 4.3844 4.3844 4.8679 4.8679 5.0405 5.0405 5.1774 5.1774 6.5647 6.5647 6.5943 6.5943 7.0246 7.0246 7.4264 7.4264 7.5628 7.5628 8.0722 8.0722 14.3358 14.3358 14.7819 14.7819 15.0818 15.0818 15.5185 15.5185 16.5011 16.5011 k = 0.6265-0.0456-0.2881 ( 3158 PWs) bands (ev): -31.2594 -31.2594 -31.2298 -31.2298 -14.1408 -14.1408 -13.5065 -13.5065 -12.4432 -12.4432 -11.9776 -11.9776 -11.2333 -11.2333 -10.8971 -10.8971 -10.7253 -10.7253 -10.4919 -10.4919 -6.6754 -6.6754 -6.5728 -6.5728 3.9966 3.9966 4.2730 4.2730 4.3857 4.3857 4.8652 4.8652 5.0191 5.0191 5.1747 5.1747 6.5600 6.5600 6.5897 6.5897 7.0182 7.0182 7.4257 7.4257 7.5392 7.5392 8.0745 8.0745 14.3715 14.3715 14.7672 14.7672 15.0503 15.0503 15.5130 15.5130 16.4160 16.4160 k = 0.6204-0.0363-0.2701 ( 3162 PWs) bands (ev): -31.2609 -31.2609 -31.2307 -31.2307 -14.1406 -14.1406 -13.4882 -13.4882 -12.4416 -12.4416 -11.9757 -11.9757 -11.2262 -11.2262 -10.8870 -10.8870 -10.7219 -10.7219 -10.4863 -10.4863 -6.6989 -6.6989 -6.5944 -6.5944 3.9998 3.9998 4.2677 4.2677 4.3831 4.3831 4.8648 4.8648 4.9999 4.9999 5.1680 5.1680 6.5570 6.5570 6.5889 6.5889 7.0130 7.0130 7.4239 7.4239 7.5164 7.5164 8.0754 8.0754 14.4053 14.4053 14.7528 14.7528 15.0200 15.0200 15.5074 15.5074 16.3277 16.3277 k = 0.6144-0.0271-0.2520 ( 3160 PWs) bands (ev): -31.2624 -31.2624 -31.2315 -31.2315 -14.1404 -14.1404 -13.4702 -13.4702 -12.4398 -12.4398 -11.9741 -11.9741 -11.2191 -11.2191 -10.8770 -10.8770 -10.7187 -10.7187 -10.4808 -10.4808 -6.7222 -6.7222 -6.6154 -6.6154 4.0039 4.0039 4.2619 4.2619 4.3769 4.3769 4.8648 4.8648 4.9846 4.9846 5.1571 5.1571 6.5553 6.5553 6.5926 6.5926 7.0092 7.0092 7.4211 7.4211 7.4946 7.4946 8.0748 8.0748 14.4371 14.4371 14.7390 14.7390 14.9910 14.9910 15.5019 15.5019 16.2414 16.2414 k = 0.6084-0.0178-0.2340 ( 3154 PWs) bands (ev): -31.2638 -31.2638 -31.2324 -31.2324 -14.1400 -14.1400 -13.4527 -13.4527 -12.4377 -12.4377 -11.9729 -11.9729 -11.2120 -11.2120 -10.8672 -10.8672 -10.7156 -10.7156 -10.4753 -10.4753 -6.7450 -6.7450 -6.6358 -6.6358 4.0091 4.0091 4.2558 4.2558 4.3677 4.3677 4.8624 4.8624 4.9757 4.9757 5.1421 5.1421 6.5537 6.5537 6.6019 6.6019 7.0066 7.0066 7.4170 7.4170 7.4739 7.4739 8.0727 8.0727 14.4668 14.4668 14.7257 14.7257 14.9634 14.9634 15.4963 15.4963 16.1577 16.1577 k = 0.6024-0.0086-0.2159 ( 3156 PWs) bands (ev): -31.2652 -31.2652 -31.2332 -31.2332 -14.1395 -14.1395 -13.4358 -13.4358 -12.4353 -12.4353 -11.9721 -11.9721 -11.2049 -11.2049 -10.8576 -10.8576 -10.7127 -10.7127 -10.4699 -10.4699 -6.7673 -6.7673 -6.6554 -6.6554 4.0154 4.0154 4.2494 4.2494 4.3560 4.3560 4.8552 4.8552 4.9751 4.9751 5.1231 5.1231 6.5517 6.5517 6.6170 6.6170 7.0054 7.0054 7.4115 7.4115 7.4544 7.4544 8.0690 8.0690 14.4943 14.4943 14.7130 14.7130 14.9374 14.9374 15.4906 15.4906 16.0771 16.0771 k = 0.5963 0.0007-0.1979 ( 3152 PWs) bands (ev): -31.2665 -31.2665 -31.2340 -31.2340 -14.1390 -14.1390 -13.4194 -13.4194 -12.4327 -12.4327 -11.9718 -11.9718 -11.1978 -11.1978 -10.8483 -10.8483 -10.7101 -10.7101 -10.4648 -10.4648 -6.7890 -6.7890 -6.6743 -6.6743 4.0229 4.0229 4.2426 4.2426 4.3425 4.3425 4.8428 4.8428 4.9823 4.9823 5.1005 5.1005 6.5494 6.5494 6.6375 6.6375 7.0056 7.0056 7.4042 7.4042 7.4365 7.4365 8.0636 8.0636 14.5192 14.5192 14.7008 14.7008 14.9131 14.9131 15.4847 15.4847 16.0002 16.0002 k = 0.5903 0.0099-0.1799 ( 3146 PWs) bands (ev): -31.2678 -31.2678 -31.2347 -31.2347 -14.1384 -14.1384 -13.4037 -13.4037 -12.4297 -12.4297 -11.9719 -11.9719 -11.1908 -11.1908 -10.8392 -10.8392 -10.7078 -10.7078 -10.4600 -10.4600 -6.8100 -6.8100 -6.6923 -6.6923 4.0317 4.0317 4.2357 4.2357 4.3277 4.3277 4.8270 4.8270 4.9948 4.9948 5.0750 5.0750 6.5467 6.5467 6.6629 6.6629 7.0072 7.0072 7.3947 7.3947 7.4207 7.4207 8.0565 8.0565 14.5416 14.5416 14.6893 14.6893 14.8908 14.8908 15.4787 15.4787 15.9271 15.9271 k = 0.5843 0.0191-0.1618 ( 3148 PWs) bands (ev): -31.2690 -31.2690 -31.2355 -31.2355 -14.1378 -14.1378 -13.3888 -13.3888 -12.4263 -12.4263 -11.9725 -11.9725 -11.1838 -11.1838 -10.8304 -10.8304 -10.7057 -10.7057 -10.4554 -10.4554 -6.8301 -6.8301 -6.7094 -6.7094 4.0418 4.0418 4.2287 4.2287 4.3123 4.3123 4.8095 4.8095 5.0086 5.0086 5.0489 5.0489 6.5440 6.5440 6.6924 6.6924 7.0102 7.0102 7.3828 7.3828 7.4071 7.4071 8.0478 8.0478 14.5611 14.5611 14.6784 14.6784 14.8705 14.8705 15.4725 15.4725 15.8583 15.8583 k = 0.5783 0.0284-0.1438 ( 3148 PWs) bands (ev): -31.2701 -31.2701 -31.2362 -31.2362 -14.1372 -14.1372 -13.3747 -13.3747 -12.4227 -12.4227 -11.9734 -11.9734 -11.1769 -11.1769 -10.8219 -10.8219 -10.7039 -10.7039 -10.4513 -10.4513 -6.8493 -6.8493 -6.7256 -6.7256 4.0531 4.0531 4.2217 4.2217 4.2966 4.2966 4.7914 4.7914 5.0047 5.0047 5.0402 5.0402 6.5413 6.5413 6.7253 6.7253 7.0147 7.0147 7.3693 7.3693 7.3950 7.3950 8.0374 8.0374 14.5775 14.5775 14.6683 14.6683 14.8525 14.8525 15.4662 15.4662 15.7940 15.7940 k = 0.5723 0.0376-0.1257 ( 3156 PWs) bands (ev): -31.2712 -31.2712 -31.2368 -31.2368 -14.1366 -14.1366 -13.3615 -13.3615 -12.4188 -12.4188 -11.9747 -11.9747 -11.1702 -11.1702 -10.8137 -10.8137 -10.7025 -10.7025 -10.4475 -10.4475 -6.8675 -6.8675 -6.7408 -6.7408 4.0656 4.0656 4.2148 4.2148 4.2810 4.2810 4.7735 4.7735 4.9755 4.9755 5.0557 5.0557 6.5385 6.5385 6.7609 6.7609 7.0206 7.0206 7.3552 7.3552 7.3832 7.3832 8.0254 8.0254 14.5906 14.5906 14.6590 14.6590 14.8370 14.8370 15.4596 15.4596 15.7344 15.7344 k = 0.5662 0.0469-0.1077 ( 3154 PWs) bands (ev): -31.2722 -31.2722 -31.2375 -31.2375 -14.1360 -14.1360 -13.3492 -13.3492 -12.4146 -12.4146 -11.9762 -11.9762 -11.1637 -11.1637 -10.8059 -10.8059 -10.7012 -10.7012 -10.4442 -10.4442 -6.8846 -6.8846 -6.7550 -6.7550 4.0792 4.0792 4.2080 4.2080 4.2661 4.2661 4.7562 4.7562 4.9419 4.9419 5.0748 5.0748 6.5359 6.5359 6.7986 6.7986 7.0279 7.0279 7.3412 7.3412 7.3713 7.3713 8.0119 8.0119 14.6003 14.6003 14.6506 14.6506 14.8240 14.8240 15.4530 15.4530 15.6799 15.6799 k = 0.5602 0.0561-0.0896 ( 3154 PWs) bands (ev): -31.2732 -31.2732 -31.2381 -31.2381 -14.1354 -14.1354 -13.3380 -13.3380 -12.4103 -12.4103 -11.9781 -11.9781 -11.1574 -11.1574 -10.7985 -10.7985 -10.7003 -10.7003 -10.4412 -10.4412 -6.9004 -6.9004 -6.7681 -6.7681 4.0937 4.0937 4.2015 4.2015 4.2519 4.2519 4.7398 4.7398 4.9068 4.9068 5.0940 5.0940 6.5334 6.5334 6.8375 6.8375 7.0366 7.0366 7.3276 7.3276 7.3588 7.3588 7.9972 7.9972 14.6063 14.6063 14.6434 14.6434 14.8136 14.8136 15.4463 15.4463 15.6304 15.6304 k = 0.5542 0.0653-0.0716 ( 3154 PWs) bands (ev): -31.2741 -31.2741 -31.2386 -31.2386 -14.1348 -14.1348 -13.3277 -13.3277 -12.4060 -12.4060 -11.9801 -11.9801 -11.1514 -11.1514 -10.7915 -10.7915 -10.6996 -10.6996 -10.4387 -10.4387 -6.9150 -6.9150 -6.7800 -6.7800 4.1089 4.1089 4.1955 4.1955 4.2388 4.2388 4.7244 4.7244 4.8715 4.8715 5.1127 5.1127 6.5310 6.5310 6.8771 6.8771 7.0466 7.0466 7.3146 7.3146 7.3457 7.3457 7.9814 7.9814 14.6087 14.6087 14.6376 14.6376 14.8057 14.8057 15.4395 15.4395 15.5863 15.5863 k = 0.5482 0.0746-0.0535 ( 3150 PWs) bands (ev): -31.2748 -31.2748 -31.2391 -31.2391 -14.1343 -14.1343 -13.3184 -13.3184 -12.4016 -12.4016 -11.9822 -11.9822 -11.1459 -11.1459 -10.7851 -10.7851 -10.6992 -10.6992 -10.4366 -10.4366 -6.9282 -6.9282 -6.7909 -6.7909 4.1242 4.1242 4.1902 4.1902 4.2271 4.2271 4.7103 4.7103 4.8364 4.8364 5.1302 5.1302 6.5288 6.5288 6.9165 6.9165 7.0578 7.0578 7.3022 7.3022 7.3320 7.3320 7.9649 7.9649 14.6081 14.6081 14.6330 14.6330 14.7997 14.7997 15.4327 15.4327 15.5476 15.5476 k = 0.5422 0.0838-0.0355 ( 3148 PWs) bands (ev): -31.2755 -31.2755 -31.2395 -31.2395 -14.1338 -14.1338 -13.3103 -13.3103 -12.3974 -12.3974 -11.9844 -11.9844 -11.1408 -11.1408 -10.7791 -10.7791 -10.6989 -10.6989 -10.4348 -10.4348 -6.9400 -6.9400 -6.8005 -6.8005 4.1385 4.1385 4.1866 4.1866 4.2170 4.2170 4.6975 4.6975 4.8024 4.8024 5.1464 5.1464 6.5268 6.5268 6.9550 6.9550 7.0703 7.0703 7.2901 7.2901 7.3178 7.3178 7.9481 7.9481 14.6055 14.6055 14.6293 14.6293 14.7955 14.7955 15.4259 15.4259 15.5144 15.5144 k = 0.5361 0.0931-0.0175 ( 3146 PWs) bands (ev): -31.2761 -31.2761 -31.2399 -31.2399 -14.1334 -14.1334 -13.3032 -13.3032 -12.3934 -12.3934 -11.9865 -11.9865 -11.1362 -11.1362 -10.7738 -10.7738 -10.6987 -10.6987 -10.4334 -10.4334 -6.9504 -6.9504 -6.8089 -6.8089 4.1494 4.1494 4.1865 4.1865 4.2087 4.2087 4.6860 4.6860 4.7702 4.7702 5.1608 5.1608 6.5251 6.5251 6.9917 6.9917 7.0840 7.0840 7.2782 7.2782 7.3035 7.3035 7.9314 7.9314 14.6019 14.6019 14.6259 14.6259 14.7925 14.7925 15.4190 15.4190 15.4868 15.4868 k = 0.5301 0.1023 0.0006 ( 3140 PWs) bands (ev): -31.2766 -31.2766 -31.2402 -31.2402 -14.1330 -14.1330 -13.2972 -13.2972 -12.3898 -12.3898 -11.9885 -11.9885 -11.1323 -11.1323 -10.7692 -10.7692 -10.6987 -10.6987 -10.4323 -10.4323 -6.9592 -6.9592 -6.8160 -6.8160 4.1540 4.1540 4.1909 4.1909 4.2038 4.2038 4.6759 4.6759 4.7405 4.7405 5.1734 5.1734 6.5236 6.5236 7.0257 7.0257 7.0990 7.0990 7.2663 7.2663 7.2893 7.2893 7.9155 7.9155 14.5983 14.5983 14.6227 14.6227 14.7902 14.7902 15.4120 15.4120 15.4648 15.4648 k = 0.5241 0.1116 0.0186 ( 3142 PWs) bands (ev): -31.2771 -31.2771 -31.2405 -31.2405 -14.1327 -14.1327 -13.2922 -13.2922 -12.3866 -12.3866 -11.9902 -11.9902 -11.1289 -11.1289 -10.7653 -10.7653 -10.6987 -10.6987 -10.4315 -10.4315 -6.9665 -6.9665 -6.8219 -6.8219 4.1537 4.1537 4.1915 4.1915 4.2087 4.2087 4.6670 4.6670 4.7145 4.7145 5.1838 5.1838 6.5223 6.5223 7.0557 7.0557 7.1153 7.1153 7.2539 7.2539 7.2757 7.2757 7.9010 7.9010 14.5949 14.5949 14.6198 14.6198 14.7886 14.7886 15.4049 15.4049 15.4485 15.4485 k = 0.5181 0.1208 0.0367 ( 3130 PWs) bands (ev): -31.2774 -31.2774 -31.2407 -31.2407 -14.1325 -14.1325 -13.2884 -13.2884 -12.3840 -12.3840 -11.9917 -11.9917 -11.1263 -11.1263 -10.7621 -10.7621 -10.6988 -10.6988 -10.4309 -10.4309 -6.9722 -6.9722 -6.8264 -6.8264 4.1518 4.1518 4.1885 4.1885 4.2193 4.2193 4.6591 4.6591 4.6935 4.6935 5.1921 5.1921 6.5213 6.5213 7.0806 7.0806 7.1331 7.1331 7.2408 7.2408 7.2634 7.2634 7.8887 7.8887 14.5921 14.5921 14.6174 14.6174 14.7874 14.7874 15.3979 15.3979 15.4373 15.4373 k = 0.5120 0.1300 0.0547 ( 3128 PWs) bands (ev): -31.2776 -31.2776 -31.2409 -31.2409 -14.1323 -14.1323 -13.2857 -13.2857 -12.3821 -12.3821 -11.9928 -11.9928 -11.1243 -11.1243 -10.7598 -10.7598 -10.6989 -10.6989 -10.4305 -10.4305 -6.9763 -6.9763 -6.8297 -6.8297 4.1498 4.1498 4.1858 4.1858 4.2289 4.2289 4.6517 4.6517 4.6790 4.6790 5.1981 5.1981 6.5206 6.5206 7.0993 7.0993 7.1515 7.1515 7.2271 7.2271 7.2530 7.2530 7.8792 7.8792 14.5900 14.5900 14.6156 14.6156 14.7865 14.7865 15.3921 15.3921 15.4303 15.4303 k = 0.5060 0.1393 0.0728 ( 3122 PWs) bands (ev): -31.2778 -31.2778 -31.2410 -31.2410 -14.1322 -14.1322 -13.2840 -13.2840 -12.3809 -12.3809 -11.9934 -11.9934 -11.1232 -11.1232 -10.7584 -10.7584 -10.6989 -10.6989 -10.4303 -10.4303 -6.9787 -6.9787 -6.8317 -6.8317 4.1484 4.1484 4.1842 4.1842 4.2354 4.2354 4.6459 4.6459 4.6711 4.6711 5.2018 5.2018 6.5202 6.5202 7.1111 7.1111 7.1686 7.1686 7.2137 7.2137 7.2457 7.2457 7.8732 7.8732 14.5887 14.5887 14.6144 14.6144 14.7860 14.7860 15.3882 15.3882 15.4265 15.4265 k = 0.5000 0.1485 0.0908 ( 3116 PWs) bands (ev): -31.2778 -31.2778 -31.2410 -31.2410 -14.1322 -14.1322 -13.2835 -13.2835 -12.3805 -12.3805 -11.9937 -11.9937 -11.1228 -11.1228 -10.7580 -10.7580 -10.6990 -10.6990 -10.4302 -10.4302 -6.9796 -6.9796 -6.8324 -6.8324 4.1479 4.1479 4.1837 4.1837 4.2377 4.2377 4.6436 4.6436 4.6687 4.6687 5.2030 5.2030 6.5201 6.5201 7.1151 7.1151 7.1778 7.1778 7.2059 7.2059 7.2430 7.2430 7.8712 7.8712 14.5882 14.5882 14.6140 14.6140 14.7858 14.7858 15.3868 15.3868 15.4253 15.4253 k = 0.5000 0.1485 0.0908 ( 3116 PWs) bands (ev): -31.2778 -31.2778 -31.2410 -31.2410 -14.1322 -14.1322 -13.2835 -13.2835 -12.3805 -12.3805 -11.9937 -11.9937 -11.1228 -11.1228 -10.7580 -10.7580 -10.6990 -10.6990 -10.4302 -10.4302 -6.9796 -6.9796 -6.8324 -6.8324 4.1479 4.1479 4.1837 4.1837 4.2377 4.2377 4.6436 4.6436 4.6687 4.6687 5.2030 5.2030 6.5201 6.5201 7.1151 7.1151 7.1778 7.1778 7.2059 7.2059 7.2430 7.2430 7.8712 7.8712 14.5882 14.5882 14.6140 14.6140 14.7858 14.7858 15.3868 15.3868 15.4253 15.4253 k = 0.4800 0.1426 0.0872 ( 3119 PWs) bands (ev): -31.2779 -31.2779 -31.2409 -31.2409 -14.1323 -14.1323 -13.2835 -13.2835 -12.3800 -12.3800 -11.9939 -11.9939 -11.1224 -11.1224 -10.7580 -10.7580 -10.6989 -10.6989 -10.4310 -10.4310 -6.9795 -6.9795 -6.8321 -6.8321 4.1473 4.1473 4.1831 4.1831 4.2368 4.2368 4.6442 4.6442 4.6693 4.6693 5.2027 5.2027 6.5207 6.5207 7.1134 7.1134 7.1756 7.1756 7.2079 7.2079 7.2454 7.2454 7.8725 7.8725 14.5883 14.5883 14.6141 14.6141 14.7837 14.7837 15.3863 15.3863 15.4248 15.4248 k = 0.4600 0.1366 0.0835 ( 3119 PWs) bands (ev): -31.2781 -31.2781 -31.2408 -31.2408 -14.1326 -14.1326 -13.2836 -13.2836 -12.3784 -12.3784 -11.9946 -11.9946 -11.1213 -11.1213 -10.7583 -10.7583 -10.6986 -10.6986 -10.4332 -10.4332 -6.9792 -6.9792 -6.8311 -6.8311 4.1456 4.1456 4.1813 4.1813 4.2339 4.2339 4.6457 4.6457 4.6709 4.6709 5.2019 5.2019 6.5225 6.5225 7.1087 7.1087 7.1699 7.1699 7.2134 7.2134 7.2519 7.2519 7.8765 7.8765 14.5885 14.5885 14.6143 14.6143 14.7772 14.7772 15.3849 15.3849 15.4234 15.4234 k = 0.4400 0.1307 0.0799 ( 3119 PWs) bands (ev): -31.2783 -31.2783 -31.2405 -31.2405 -14.1332 -14.1332 -13.2837 -13.2837 -12.3757 -12.3757 -11.9959 -11.9959 -11.1195 -11.1195 -10.7587 -10.7587 -10.6982 -10.6982 -10.4370 -10.4370 -6.9789 -6.9789 -6.8296 -6.8296 4.1427 4.1427 4.1784 4.1784 4.2293 4.2293 4.6483 4.6483 4.6735 4.6735 5.2005 5.2005 6.5256 6.5256 7.1018 7.1018 7.1622 7.1622 7.2215 7.2215 7.2610 7.2610 7.8830 7.8830 14.5889 14.5889 14.6146 14.6146 14.7663 14.7663 15.3826 15.3826 15.4211 15.4211 k = 0.4200 0.1248 0.0763 ( 3131 PWs) bands (ev): -31.2787 -31.2787 -31.2401 -31.2401 -14.1341 -14.1341 -13.2838 -13.2838 -12.3720 -12.3720 -11.9976 -11.9976 -11.1170 -11.1170 -10.7593 -10.7593 -10.6976 -10.6976 -10.4423 -10.4423 -6.9783 -6.9783 -6.8276 -6.8276 4.1388 4.1388 4.1744 4.1744 4.2229 4.2229 4.6517 4.6517 4.6771 4.6771 5.1987 5.1987 6.5297 6.5297 7.0937 7.0937 7.1535 7.1535 7.2313 7.2313 7.2716 7.2716 7.8920 7.8920 14.5894 14.5894 14.6150 14.6150 14.7506 14.7506 15.3793 15.3793 15.4179 15.4179 k = 0.4000 0.1188 0.0726 ( 3128 PWs) bands (ev): -31.2792 -31.2792 -31.2396 -31.2396 -14.1351 -14.1351 -13.2840 -13.2840 -12.3673 -12.3673 -11.9998 -11.9998 -11.1137 -11.1137 -10.7600 -10.7600 -10.6969 -10.6969 -10.4490 -10.4490 -6.9776 -6.9776 -6.8249 -6.8249 4.1340 4.1340 4.1695 4.1695 4.2149 4.2149 4.6560 4.6560 4.6815 4.6815 5.1963 5.1963 6.5350 6.5350 7.0850 7.0850 7.1444 7.1444 7.2423 7.2423 7.2830 7.2830 7.9033 7.9033 14.5900 14.5900 14.6156 14.6156 14.7299 14.7299 15.3751 15.3751 15.4139 15.4139 k = 0.3800 0.1129 0.0690 ( 3129 PWs) bands (ev): -31.2797 -31.2797 -31.2391 -31.2391 -14.1363 -14.1363 -13.2842 -13.2842 -12.3617 -12.3617 -12.0025 -12.0025 -11.1098 -11.1098 -10.7608 -10.7608 -10.6961 -10.6961 -10.4570 -10.4570 -6.9768 -6.9768 -6.8219 -6.8219 4.1283 4.1283 4.1638 4.1638 4.2055 4.2055 4.6609 4.6609 4.6866 4.6866 5.1935 5.1935 6.5412 6.5412 7.0760 7.0760 7.1354 7.1354 7.2539 7.2539 7.2949 7.2949 7.9167 7.9167 14.5906 14.5906 14.6163 14.6163 14.7041 14.7041 15.3702 15.3702 15.4090 15.4090 k = 0.3600 0.1069 0.0654 ( 3123 PWs) bands (ev): -31.2803 -31.2803 -31.2385 -31.2385 -14.1377 -14.1377 -13.2845 -13.2845 -12.3551 -12.3551 -12.0057 -12.0057 -11.1051 -11.1051 -10.7617 -10.7617 -10.6952 -10.6952 -10.4663 -10.4663 -6.9759 -6.9759 -6.8184 -6.8184 4.1219 4.1219 4.1574 4.1574 4.1950 4.1950 4.6665 4.6665 4.6923 4.6923 5.1903 5.1903 6.5482 6.5482 7.0670 7.0670 7.1265 7.1265 7.2658 7.2658 7.3070 7.3070 7.9321 7.9321 14.5911 14.5911 14.6171 14.6171 14.6732 14.6732 15.3644 15.3644 15.4035 15.4035 k = 0.3400 0.1010 0.0617 ( 3120 PWs) bands (ev): -31.2810 -31.2810 -31.2378 -31.2378 -14.1392 -14.1392 -13.2848 -13.2848 -12.3476 -12.3476 -12.0094 -12.0094 -11.0998 -11.0998 -10.7626 -10.7626 -10.6942 -10.6942 -10.4767 -10.4767 -6.9748 -6.9748 -6.8145 -6.8145 4.1150 4.1150 4.1505 4.1505 4.1834 4.1834 4.6725 4.6725 4.6984 4.6984 5.1868 5.1868 6.5560 6.5560 7.0583 7.0583 7.1180 7.1180 7.2779 7.2779 7.3191 7.3191 7.9492 7.9492 14.5906 14.5906 14.6180 14.6180 14.6381 14.6381 15.3581 15.3581 15.3973 15.3973 k = 0.3200 0.0951 0.0581 ( 3120 PWs) bands (ev): -31.2816 -31.2816 -31.2371 -31.2371 -14.1408 -14.1408 -13.2851 -13.2851 -12.3394 -12.3394 -12.0136 -12.0136 -11.0938 -11.0938 -10.7636 -10.7636 -10.6931 -10.6931 -10.4883 -10.4883 -6.9736 -6.9736 -6.8103 -6.8103 4.1075 4.1075 4.1432 4.1432 4.1710 4.1710 4.6788 4.6788 4.7049 4.7049 5.1829 5.1829 6.5644 6.5644 7.0499 7.0499 7.1099 7.1099 7.2899 7.2899 7.3311 7.3311 7.9676 7.9676 14.5811 14.5811 14.6072 14.6072 14.6191 14.6191 15.3511 15.3511 15.3905 15.3905 k = 0.3000 0.0891 0.0545 ( 3126 PWs) bands (ev): -31.2823 -31.2823 -31.2364 -31.2364 -14.1426 -14.1426 -13.2854 -13.2854 -12.3304 -12.3304 -12.0182 -12.0182 -11.0872 -11.0872 -10.7647 -10.7647 -10.6921 -10.6921 -10.5008 -10.5008 -6.9724 -6.9724 -6.8059 -6.8059 4.0997 4.0997 4.1356 4.1356 4.1581 4.1581 4.6853 4.6853 4.7116 4.7116 5.1787 5.1787 6.5732 6.5732 7.0419 7.0419 7.1023 7.1023 7.3017 7.3017 7.3428 7.3428 7.9873 7.9873 14.5434 14.5434 14.6005 14.6005 14.6203 14.6203 15.3436 15.3436 15.3833 15.3833 k = 0.2800 0.0832 0.0508 ( 3126 PWs) bands (ev): -31.2830 -31.2830 -31.2357 -31.2357 -14.1444 -14.1444 -13.2857 -13.2857 -12.3208 -12.3208 -12.0234 -12.0234 -11.0800 -11.0800 -10.7657 -10.7657 -10.6910 -10.6910 -10.5142 -10.5142 -6.9711 -6.9711 -6.8013 -6.8013 4.0916 4.0916 4.1279 4.1279 4.1450 4.1450 4.6919 4.6919 4.7183 4.7183 5.1744 5.1744 6.5824 6.5824 7.0343 7.0343 7.0951 7.0951 7.3133 7.3133 7.3543 7.3543 8.0078 8.0078 14.4954 14.4954 14.6007 14.6007 14.6216 14.6216 15.3357 15.3357 15.3757 15.3757 k = 0.2600 0.0772 0.0472 ( 3126 PWs) bands (ev): -31.2837 -31.2837 -31.2350 -31.2350 -14.1462 -14.1462 -13.2861 -13.2861 -12.3105 -12.3105 -12.0290 -12.0290 -11.0723 -11.0723 -10.7668 -10.7668 -10.6899 -10.6899 -10.5283 -10.5283 -6.9697 -6.9697 -6.7967 -6.7967 4.0833 4.0833 4.1202 4.1202 4.1319 4.1319 4.6984 4.6984 4.7250 4.7250 5.1700 5.1700 6.5916 6.5916 7.0273 7.0273 7.0885 7.0885 7.3245 7.3245 7.3654 7.3654 8.0288 8.0288 14.4441 14.4441 14.6019 14.6019 14.6230 14.6230 15.3276 15.3276 15.3678 15.3678 k = 0.2400 0.0713 0.0436 ( 3126 PWs) bands (ev): -31.2844 -31.2844 -31.2343 -31.2343 -14.1480 -14.1480 -13.2864 -13.2864 -12.2998 -12.2998 -12.0351 -12.0351 -11.0640 -11.0640 -10.7678 -10.7678 -10.6888 -10.6888 -10.5429 -10.5429 -6.9683 -6.9683 -6.7920 -6.7920 4.0748 4.0748 4.1127 4.1127 4.1191 4.1191 4.7048 4.7048 4.7315 4.7315 5.1655 5.1655 6.6009 6.6009 7.0207 7.0207 7.0824 7.0824 7.3352 7.3352 7.3760 7.3760 8.0500 8.0500 14.3913 14.3913 14.6035 14.6035 14.6245 14.6245 15.3194 15.3194 15.3597 15.3597 k = 0.2200 0.0653 0.0400 ( 3120 PWs) bands (ev): -31.2851 -31.2851 -31.2336 -31.2336 -14.1499 -14.1499 -13.2868 -13.2868 -12.2886 -12.2886 -12.0417 -12.0417 -11.0554 -11.0554 -10.7688 -10.7688 -10.6878 -10.6878 -10.5579 -10.5579 -6.9669 -6.9669 -6.7874 -6.7874 4.0662 4.0662 4.1054 4.1054 4.1070 4.1070 4.7111 4.7111 4.7379 4.7379 5.1611 5.1611 6.6100 6.6100 7.0148 7.0148 7.0768 7.0768 7.3454 7.3454 7.3860 7.3860 8.0710 8.0710 14.3384 14.3384 14.6053 14.6053 14.6260 14.6260 15.3111 15.3111 15.3517 15.3517 k = 0.2000 0.0594 0.0363 ( 3120 PWs) bands (ev): -31.2857 -31.2857 -31.2330 -31.2330 -14.1516 -14.1516 -13.2871 -13.2871 -12.2770 -12.2770 -12.0487 -12.0487 -11.0463 -11.0463 -10.7698 -10.7698 -10.6868 -10.6868 -10.5731 -10.5731 -6.9655 -6.9655 -6.7829 -6.7829 4.0576 4.0576 4.0956 4.0956 4.0984 4.0984 4.7170 4.7170 4.7439 4.7439 5.1567 5.1567 6.6189 6.6189 7.0093 7.0093 7.0718 7.0718 7.3549 7.3549 7.3954 7.3954 8.0916 8.0916 14.2863 14.2863 14.6071 14.6071 14.6276 14.6276 15.3030 15.3030 15.3438 15.3438 k = 0.1800 0.0535 0.0327 ( 3108 PWs) bands (ev): -31.2863 -31.2863 -31.2324 -31.2324 -14.1533 -14.1533 -13.2874 -13.2874 -12.2652 -12.2652 -12.0562 -12.0562 -11.0371 -11.0371 -10.7706 -10.7706 -10.6859 -10.6859 -10.5883 -10.5883 -6.9642 -6.9642 -6.7787 -6.7787 4.0489 4.0489 4.0853 4.0853 4.0918 4.0918 4.7225 4.7225 4.7495 4.7495 5.1526 5.1526 6.6273 6.6273 7.0044 7.0044 7.0673 7.0673 7.3637 7.3637 7.4041 7.4041 8.1115 8.1115 14.2363 14.2363 14.6090 14.6090 14.6292 14.6292 15.2952 15.2952 15.3361 15.3361 k = 0.1600 0.0475 0.0291 ( 3105 PWs) bands (ev): -31.2868 -31.2868 -31.2319 -31.2319 -14.1549 -14.1549 -13.2877 -13.2877 -12.2533 -12.2533 -12.0640 -12.0640 -11.0278 -11.0278 -10.7715 -10.7715 -10.6850 -10.6850 -10.6032 -10.6032 -6.9630 -6.9630 -6.7746 -6.7746 4.0404 4.0404 4.0762 4.0762 4.0858 4.0858 4.7276 4.7276 4.7547 4.7547 5.1487 5.1487 6.6351 6.6351 7.0001 7.0001 7.0633 7.0633 7.3718 7.3718 7.4120 7.4120 8.1302 8.1302 14.1892 14.1892 14.6109 14.6109 14.6307 14.6307 15.2877 15.2877 15.3288 15.3288 k = 0.1400 0.0416 0.0254 ( 3111 PWs) bands (ev): -31.2873 -31.2873 -31.2314 -31.2314 -14.1564 -14.1564 -13.2880 -13.2880 -12.2412 -12.2412 -12.0723 -12.0723 -11.0185 -11.0185 -10.7722 -10.7722 -10.6843 -10.6843 -10.6176 -10.6176 -6.9618 -6.9618 -6.7710 -6.7710 4.0322 4.0322 4.0683 4.0683 4.0802 4.0802 4.7322 4.7322 4.7594 4.7594 5.1451 5.1451 6.6423 6.6423 6.9962 6.9962 7.0598 7.0598 7.3791 7.3791 7.4192 7.4192 8.1476 8.1476 14.1458 14.1458 14.6127 14.6127 14.6322 14.6322 15.2807 15.2807 15.3220 15.3220 k = 0.1200 0.0356 0.0218 ( 3111 PWs) bands (ev): -31.2878 -31.2878 -31.2309 -31.2309 -14.1577 -14.1577 -13.2883 -13.2883 -12.2293 -12.2293 -12.0808 -12.0808 -11.0096 -11.0096 -10.7729 -10.7729 -10.6836 -10.6836 -10.6312 -10.6312 -6.9607 -6.9607 -6.7677 -6.7677 4.0245 4.0245 4.0617 4.0617 4.0753 4.0753 4.7363 4.7363 4.7636 4.7636 5.1418 5.1418 6.6488 6.6488 6.9930 6.9930 7.0568 7.0568 7.3855 7.3855 7.4255 7.4255 8.1632 8.1632 14.1068 14.1068 14.6144 14.6144 14.6336 14.6336 15.2743 15.2743 15.3157 15.3157 k = 0.1000 0.0297 0.0182 ( 3123 PWs) bands (ev): -31.2882 -31.2882 -31.2305 -31.2305 -14.1588 -14.1588 -13.2885 -13.2885 -12.2176 -12.2176 -12.0896 -12.0896 -11.0013 -11.0013 -10.7734 -10.7734 -10.6830 -10.6830 -10.6436 -10.6436 -6.9598 -6.9598 -6.7648 -6.7648 4.0176 4.0176 4.0561 4.0561 4.0711 4.0711 4.7398 4.7398 4.7671 4.7671 5.1390 5.1390 6.6544 6.6544 6.9902 6.9902 7.0543 7.0543 7.3910 7.3910 7.4309 7.4309 8.1769 8.1769 14.0728 14.0728 14.6159 14.6159 14.6349 14.6349 15.2687 15.2687 15.3102 15.3102 k = 0.0800 0.0238 0.0145 ( 3135 PWs) bands (ev): -31.2885 -31.2885 -31.2302 -31.2302 -14.1598 -14.1598 -13.2887 -13.2887 -12.2063 -12.2063 -12.0984 -12.0984 -10.9938 -10.9938 -10.7739 -10.7739 -10.6825 -10.6825 -10.6545 -10.6545 -6.9590 -6.9590 -6.7624 -6.7624 4.0116 4.0116 4.0516 4.0516 4.0676 4.0676 4.7427 4.7427 4.7701 4.7701 5.1366 5.1366 6.6590 6.6590 6.9880 6.9880 7.0522 7.0522 7.3955 7.3955 7.4354 7.4354 8.1885 8.1885 14.0443 14.0443 14.6172 14.6172 14.6360 14.6360 15.2639 15.2639 15.3055 15.3055 k = 0.0600 0.0178 0.0109 ( 3138 PWs) bands (ev): -31.2887 -31.2887 -31.2300 -31.2300 -14.1606 -14.1606 -13.2889 -13.2889 -12.1957 -12.1957 -12.1070 -12.1070 -10.9874 -10.9874 -10.7743 -10.7743 -10.6821 -10.6821 -10.6636 -10.6636 -6.9584 -6.9584 -6.7605 -6.7605 4.0068 4.0068 4.0482 4.0482 4.0648 4.0648 4.7450 4.7450 4.7724 4.7724 5.1347 5.1347 6.6628 6.6628 6.9862 6.9862 7.0507 7.0507 7.3991 7.3991 7.4389 7.4389 8.1977 8.1977 14.0217 14.0217 14.6182 14.6182 14.6368 14.6368 15.2602 15.2602 15.3018 15.3018 k = 0.0400 0.0119 0.0073 ( 3132 PWs) bands (ev): -31.2889 -31.2889 -31.2298 -31.2298 -14.1611 -14.1611 -13.2890 -13.2890 -12.1865 -12.1865 -12.1148 -12.1148 -10.9826 -10.9826 -10.7745 -10.7745 -10.6818 -10.6818 -10.6704 -10.6704 -6.9579 -6.9579 -6.7591 -6.7591 4.0033 4.0033 4.0458 4.0458 4.0628 4.0628 4.7467 4.7467 4.7741 4.7741 5.1334 5.1334 6.6654 6.6654 6.9850 6.9850 7.0496 7.0496 7.4016 7.4016 7.4414 7.4414 8.2044 8.2044 14.0054 14.0054 14.6190 14.6190 14.6375 14.6375 15.2574 15.2574 15.2992 15.2992 k = 0.0200 0.0059 0.0036 ( 3135 PWs) bands (ev): -31.2890 -31.2890 -31.2297 -31.2297 -14.1614 -14.1614 -13.2890 -13.2890 -12.1797 -12.1797 -12.1206 -12.1206 -10.9796 -10.9796 -10.7747 -10.7747 -10.6817 -10.6817 -10.6746 -10.6746 -6.9577 -6.9577 -6.7582 -6.7582 4.0011 4.0011 4.0443 4.0443 4.0615 4.0615 4.7477 4.7477 4.7751 4.7751 5.1326 5.1326 6.6671 6.6671 6.9843 6.9843 7.0489 7.0489 7.4032 7.4032 7.4429 7.4429 8.2085 8.2085 13.9955 13.9955 14.6195 14.6195 14.6379 14.6379 15.2557 15.2557 15.2975 15.2975 k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.2890 -31.2890 -31.2296 -31.2296 -14.1615 -14.1615 -13.2890 -13.2890 -12.1771 -12.1771 -12.1229 -12.1229 -10.9785 -10.9785 -10.7748 -10.7748 -10.6816 -10.6816 -10.6761 -10.6761 -6.9576 -6.9576 -6.7579 -6.7579 4.0004 4.0004 4.0438 4.0438 4.0612 4.0612 4.7480 4.7480 4.7754 4.7754 5.1323 5.1323 6.6676 6.6676 6.9840 6.9840 7.0487 7.0487 7.4037 7.4037 7.4434 7.4434 8.2098 8.2098 13.9922 13.9922 14.6197 14.6197 14.6380 14.6380 15.2552 15.2552 15.2969 15.2969 k = 0.0000 0.0000 0.0000 ( 3129 PWs) bands (ev): -31.2890 -31.2890 -31.2296 -31.2296 -14.1615 -14.1615 -13.2890 -13.2890 -12.1771 -12.1771 -12.1229 -12.1229 -10.9785 -10.9785 -10.7748 -10.7748 -10.6816 -10.6816 -10.6761 -10.6761 -6.9576 -6.9576 -6.7579 -6.7579 4.0004 4.0004 4.0438 4.0438 4.0612 4.0612 4.7480 4.7480 4.7754 4.7754 5.1323 5.1323 6.6676 6.6676 6.9840 6.9840 7.0487 7.0487 7.4037 7.4037 7.4434 7.4434 8.2098 8.2098 13.9922 13.9922 14.6197 14.6197 14.6380 14.6380 15.2552 15.2552 15.2969 15.2970 k = 0.0060-0.0092-0.0181 ( 3129 PWs) bands (ev): -31.2890 -31.2890 -31.2296 -31.2296 -14.1614 -14.1614 -13.2897 -13.2897 -12.1794 -12.1794 -12.1210 -12.1210 -10.9797 -10.9797 -10.7751 -10.7751 -10.6809 -10.6809 -10.6759 -10.6759 -6.9568 -6.9568 -6.7574 -6.7574 4.0002 4.0002 4.0442 4.0442 4.0619 4.0619 4.7491 4.7491 4.7765 4.7765 5.1310 5.1310 6.6683 6.6683 6.9841 6.9841 7.0487 7.0487 7.4031 7.4031 7.4428 7.4428 8.2093 8.2093 13.9954 13.9954 14.6201 14.6201 14.6384 14.6384 15.2533 15.2533 15.2953 15.2953 k = 0.0121-0.0185-0.0361 ( 3141 PWs) bands (ev): -31.2888 -31.2888 -31.2295 -31.2295 -14.1612 -14.1612 -13.2915 -13.2915 -12.1856 -12.1856 -12.1161 -12.1161 -10.9831 -10.9831 -10.7759 -10.7759 -10.6796 -10.6796 -10.6747 -10.6747 -6.9544 -6.9544 -6.7558 -6.7558 3.9995 3.9995 4.0455 4.0455 4.0642 4.0642 4.7522 4.7522 4.7796 4.7796 5.1273 5.1273 6.6704 6.6704 6.9844 6.9844 7.0488 7.0488 7.4010 7.4010 7.4412 7.4412 8.2078 8.2078 14.0049 14.0049 14.6212 14.6212 14.6394 14.6394 15.2460 15.2460 15.2922 15.2922 k = 0.0181-0.0277-0.0542 ( 3145 PWs) bands (ev): -31.2886 -31.2886 -31.2294 -31.2294 -14.1608 -14.1608 -13.2945 -13.2945 -12.1942 -12.1942 -12.1096 -12.1096 -10.9885 -10.9885 -10.7773 -10.7773 -10.6793 -10.6793 -10.6710 -10.6710 -6.9506 -6.9506 -6.7531 -6.7531 3.9981 3.9981 4.0476 4.0476 4.0682 4.0682 4.7574 4.7574 4.7848 4.7848 5.1212 5.1212 6.6739 6.6739 6.9848 6.9848 7.0489 7.0489 7.3970 7.3970 7.4393 7.4393 8.2053 8.2053 14.0206 14.0206 14.6228 14.6228 14.6411 14.6411 15.2305 15.2305 15.2916 15.2916 k = 0.0241-0.0370-0.0722 ( 3149 PWs) bands (ev): -31.2882 -31.2882 -31.2292 -31.2292 -14.1603 -14.1603 -13.2988 -13.2988 -12.2043 -12.2043 -12.1025 -12.1025 -10.9958 -10.9958 -10.7793 -10.7793 -10.6800 -10.6800 -10.6651 -10.6651 -6.9451 -6.9451 -6.7493 -6.7493 3.9958 3.9958 4.0504 4.0504 4.0744 4.0744 4.7643 4.7643 4.7920 4.7920 5.1128 5.1128 6.6788 6.6788 6.9853 6.9853 7.0490 7.0490 7.3902 7.3902 7.4379 7.4379 8.2019 8.2019 14.0424 14.0424 14.6248 14.6248 14.6436 14.6436 15.2071 15.2071 15.2946 15.2946 k = 0.0301-0.0462-0.0903 ( 3159 PWs) bands (ev): -31.2877 -31.2877 -31.2290 -31.2290 -14.1596 -14.1596 -13.3042 -13.3042 -12.2153 -12.2153 -12.0953 -12.0953 -11.0046 -11.0046 -10.7818 -10.7818 -10.6811 -10.6811 -10.6579 -10.6579 -6.9382 -6.9382 -6.7445 -6.7445 3.9927 3.9927 4.0540 4.0540 4.0827 4.0827 4.7728 4.7728 4.8013 4.8013 5.1023 5.1023 6.6848 6.6848 6.9858 6.9858 7.0491 7.0491 7.3804 7.3804 7.4378 7.4378 8.1976 8.1976 14.0702 14.0702 14.6265 14.6265 14.6472 14.6472 15.1782 15.1782 15.3006 15.3006 k = 0.0362-0.0555-0.1083 ( 3161 PWs) bands (ev): -31.2871 -31.2871 -31.2288 -31.2288 -14.1588 -14.1588 -13.3107 -13.3107 -12.2268 -12.2268 -12.0882 -12.0882 -11.0146 -11.0146 -10.7848 -10.7848 -10.6825 -10.6825 -10.6496 -10.6496 -6.9298 -6.9298 -6.7386 -6.7386 3.9888 3.9888 4.0582 4.0582 4.0933 4.0933 4.7828 4.7828 4.8124 4.8124 5.0899 5.0899 6.6918 6.6918 6.9862 6.9862 7.0491 7.0491 7.3679 7.3679 7.4390 7.4390 8.1925 8.1925 14.1037 14.1037 14.6275 14.6275 14.6521 14.6521 15.1462 15.1462 15.3087 15.3087 k = 0.0422-0.0647-0.1264 ( 3158 PWs) bands (ev): -31.2865 -31.2865 -31.2284 -31.2284 -14.1578 -14.1578 -13.3184 -13.3184 -12.2387 -12.2387 -12.0816 -12.0816 -11.0255 -11.0255 -10.7885 -10.7885 -10.6842 -10.6842 -10.6406 -10.6406 -6.9199 -6.9199 -6.7317 -6.7317 3.9843 3.9843 4.0630 4.0630 4.1061 4.1061 4.7939 4.7939 4.8252 4.8252 5.0760 5.0760 6.6998 6.6998 6.9864 6.9864 7.0488 7.0488 7.3531 7.3531 7.4414 7.4414 8.1868 8.1868 14.1425 14.1425 14.6272 14.6272 14.6584 14.6584 15.1131 15.1131 15.3186 15.3186 k = 0.0482-0.0740-0.1444 ( 3152 PWs) bands (ev): -31.2857 -31.2857 -31.2281 -31.2281 -14.1567 -14.1567 -13.3271 -13.3271 -12.2509 -12.2509 -12.0754 -12.0754 -11.0371 -11.0371 -10.7927 -10.7927 -10.6861 -10.6861 -10.6313 -10.6313 -6.9087 -6.9087 -6.7238 -6.7238 3.9794 3.9794 4.0684 4.0684 4.1208 4.1208 4.8060 4.8060 4.8394 4.8394 5.0608 5.0608 6.7083 6.7083 6.9864 6.9864 7.0483 7.0483 7.3367 7.3367 7.4449 7.4449 8.1805 8.1805 14.1863 14.1863 14.6249 14.6249 14.6662 14.6662 15.0805 15.0805 15.3299 15.3299 k = 0.0542-0.0832-0.1625 ( 3142 PWs) bands (ev): -31.2848 -31.2848 -31.2277 -31.2277 -14.1555 -14.1555 -13.3368 -13.3368 -12.2632 -12.2632 -12.0698 -12.0698 -11.0491 -11.0491 -10.7976 -10.7976 -10.6881 -10.6881 -10.6217 -10.6217 -6.8961 -6.8961 -6.7148 -6.7148 3.9743 3.9743 4.0742 4.0742 4.1373 4.1373 4.8190 4.8190 4.8548 4.8548 5.0449 5.0449 6.7169 6.7169 6.9861 6.9861 7.0474 7.0474 7.3196 7.3196 7.4495 7.4495 8.1738 8.1738 14.2348 14.2348 14.6200 14.6200 14.6753 14.6753 15.0502 15.0502 15.3424 15.3424 k = 0.0603-0.0925-0.1805 ( 3146 PWs) bands (ev): -31.2839 -31.2839 -31.2272 -31.2272 -14.1542 -14.1542 -13.3476 -13.3476 -12.2756 -12.2756 -12.0648 -12.0648 -11.0614 -11.0614 -10.8030 -10.8030 -10.6902 -10.6902 -10.6122 -10.6122 -6.8821 -6.8821 -6.7049 -6.7049 3.9692 3.9692 4.0804 4.0804 4.1552 4.1552 4.8323 4.8323 4.8711 4.8711 5.0289 5.0289 6.7253 6.7253 6.9857 6.9857 7.0460 7.0460 7.3023 7.3023 7.4550 7.4550 8.1667 8.1667 14.2873 14.2873 14.6122 14.6122 14.6856 14.6856 15.0233 15.0233 15.3558 15.3558 k = 0.0663-0.1017-0.1986 ( 3154 PWs) bands (ev): -31.2828 -31.2828 -31.2268 -31.2268 -14.1528 -14.1528 -13.3592 -13.3592 -12.2879 -12.2879 -12.0604 -12.0604 -11.0738 -11.0738 -10.8091 -10.8091 -10.6924 -10.6924 -10.6029 -10.6029 -6.8670 -6.8670 -6.6941 -6.6941 3.9643 3.9643 4.0869 4.0869 4.1742 4.1742 4.8456 4.8456 4.8880 4.8880 5.0137 5.0137 6.7326 6.7326 6.9851 6.9851 7.0439 7.0439 7.2858 7.2858 7.4616 7.4616 8.1594 8.1594 14.3431 14.3431 14.6010 14.6010 14.6971 14.6971 15.0010 15.0010 15.3701 15.3701 k = 0.0723-0.1110-0.2166 ( 3148 PWs) bands (ev): -31.2817 -31.2817 -31.2263 -31.2263 -14.1512 -14.1512 -13.3717 -13.3717 -12.3003 -12.3003 -12.0567 -12.0567 -11.0862 -11.0862 -10.8159 -10.8159 -10.6945 -10.6945 -10.5938 -10.5938 -6.8507 -6.8507 -6.6823 -6.6823 3.9598 3.9598 4.0938 4.0938 4.1941 4.1941 4.8578 4.8578 4.9052 4.9052 5.0007 5.0007 6.7381 6.7381 6.9846 6.9846 7.0414 7.0414 7.2708 7.2708 7.4692 7.4692 8.1520 8.1520 14.4008 14.4008 14.5871 14.5871 14.7098 14.7098 14.9840 14.9840 15.3850 15.3850 k = 0.0783-0.1202-0.2347 ( 3150 PWs) bands (ev): -31.2805 -31.2805 -31.2257 -31.2257 -14.1496 -14.1496 -13.3850 -13.3850 -12.3125 -12.3125 -12.0536 -12.0536 -11.0985 -11.0985 -10.8234 -10.8234 -10.6966 -10.6966 -10.5851 -10.5851 -6.8332 -6.8332 -6.6696 -6.6696 3.9559 3.9559 4.1008 4.1008 4.2143 4.2143 4.8675 4.8675 4.9224 4.9224 4.9917 4.9917 6.7408 6.7408 6.9845 6.9845 7.0384 7.0384 7.2580 7.2580 7.4779 7.4779 8.1447 8.1447 14.4561 14.4561 14.5743 14.5743 14.7237 14.7237 14.9725 14.9725 15.4003 15.4003 k = 0.0844-0.1295-0.2527 ( 3148 PWs) bands (ev): -31.2792 -31.2792 -31.2252 -31.2252 -14.1480 -14.1480 -13.3991 -13.3991 -12.3245 -12.3245 -12.0513 -12.0513 -11.1107 -11.1107 -10.8314 -10.8314 -10.6987 -10.6987 -10.5768 -10.5768 -6.8148 -6.8148 -6.6561 -6.6561 3.9525 3.9525 4.1080 4.1080 4.2343 4.2343 4.8730 4.8730 4.9394 4.9394 4.9891 4.9891 6.7397 6.7397 6.9848 6.9848 7.0354 7.0354 7.2481 7.2481 7.4876 7.4876 8.1374 8.1374 14.4910 14.4910 14.5804 14.5804 14.7386 14.7386 14.9664 14.9664 15.4158 15.4158 k = 0.0904-0.1387-0.2708 ( 3150 PWs) bands (ev): -31.2778 -31.2778 -31.2246 -31.2246 -14.1462 -14.1462 -13.4138 -13.4138 -12.3364 -12.3364 -12.0495 -12.0495 -11.1226 -11.1226 -10.8402 -10.8402 -10.7005 -10.7005 -10.5691 -10.5691 -6.7955 -6.7955 -6.6417 -6.6417 3.9499 3.9499 4.1152 4.1152 4.2535 4.2535 4.8735 4.8735 4.9561 4.9561 4.9939 4.9939 6.7340 6.7340 6.9851 6.9851 7.0334 7.0334 7.2415 7.2415 7.4984 7.4984 8.1303 8.1303 14.4848 14.4848 14.6261 14.6261 14.7548 14.7548 14.9650 14.9650 15.4314 15.4314 k = 0.0964-0.1480-0.2889 ( 3148 PWs) bands (ev): -31.2764 -31.2764 -31.2240 -31.2240 -14.1444 -14.1444 -13.4291 -13.4291 -12.3481 -12.3481 -12.0485 -12.0485 -11.1343 -11.1343 -10.8496 -10.8496 -10.7021 -10.7021 -10.5619 -10.5619 -6.7753 -6.7753 -6.6266 -6.6266 3.9481 3.9481 4.1223 4.1223 4.2713 4.2713 4.8704 4.8704 4.9726 4.9726 5.0054 5.0054 6.7235 6.7235 6.9842 6.9842 7.0336 7.0336 7.2385 7.2385 7.5103 7.5103 8.1234 8.1234 14.4603 14.4603 14.6884 14.6884 14.7722 14.7722 14.9679 14.9679 15.4469 15.4469 k = 0.1024-0.1572-0.3069 ( 3150 PWs) bands (ev): -31.2749 -31.2749 -31.2233 -31.2233 -14.1426 -14.1426 -13.4449 -13.4449 -12.3595 -12.3595 -12.0481 -12.0481 -11.1457 -11.1457 -10.8595 -10.8595 -10.7035 -10.7035 -10.5553 -10.5553 -6.7544 -6.7544 -6.6107 -6.6107 3.9471 3.9471 4.1292 4.1292 4.2869 4.2869 4.8664 4.8664 4.9887 4.9887 5.0213 5.0213 6.7083 6.7083 6.9807 6.9807 7.0375 7.0375 7.2394 7.2394 7.5232 7.5232 8.1169 8.1169 14.4301 14.4301 14.7531 14.7531 14.7920 14.7920 14.9746 14.9746 15.4620 15.4620 k = 0.1085-0.1664-0.3250 ( 3152 PWs) bands (ev): -31.2733 -31.2733 -31.2227 -31.2227 -14.1407 -14.1407 -13.4611 -13.4611 -12.3707 -12.3707 -12.0483 -12.0483 -11.1569 -11.1569 -10.8701 -10.8701 -10.7046 -10.7046 -10.5492 -10.5492 -6.7328 -6.7328 -6.5941 -6.5941 3.9469 3.9469 4.1360 4.1360 4.2996 4.2996 4.8638 4.8638 5.0044 5.0044 5.0400 5.0400 6.6891 6.6891 6.9744 6.9744 7.0448 7.0448 7.2442 7.2442 7.5372 7.5372 8.1106 8.1106 14.3974 14.3974 14.8015 14.8015 14.8289 14.8289 14.9856 14.9856 15.4767 15.4767 k = 0.1145-0.1757-0.3430 ( 3152 PWs) bands (ev): -31.2717 -31.2717 -31.2221 -31.2221 -14.1387 -14.1387 -13.4777 -13.4777 -12.3816 -12.3816 -12.0491 -12.0491 -11.1678 -11.1678 -10.8811 -10.8811 -10.7055 -10.7055 -10.5438 -10.5438 -6.7108 -6.7108 -6.5768 -6.5768 3.9477 3.9477 4.1424 4.1424 4.3086 4.3086 4.8642 4.8642 5.0194 5.0194 5.0606 5.0606 6.6667 6.6667 6.9656 6.9656 7.0545 7.0545 7.2530 7.2530 7.5521 7.5521 8.1047 8.1047 14.3635 14.3635 14.8249 14.8249 14.8873 14.8873 15.0027 15.0027 15.4908 15.4908 k = 0.1205-0.1849-0.3611 ( 3152 PWs) bands (ev): -31.2700 -31.2700 -31.2214 -31.2214 -14.1367 -14.1367 -13.4946 -13.4946 -12.3923 -12.3923 -12.0505 -12.0505 -11.1785 -11.1785 -10.8925 -10.8925 -10.7060 -10.7060 -10.5389 -10.5389 -6.6883 -6.6883 -6.5589 -6.5589 3.9492 3.9492 4.1485 4.1485 4.3135 4.3135 4.8688 4.8688 5.0336 5.0336 5.0823 5.0823 6.6420 6.6420 6.9551 6.9551 7.0654 7.0654 7.2655 7.2655 7.5679 7.5679 8.0992 8.0992 14.3288 14.3288 14.8462 14.8462 14.9369 14.9369 15.0321 15.0321 15.5042 15.5042 k = 0.1265-0.1942-0.3791 ( 3144 PWs) bands (ev): -31.2683 -31.2683 -31.2207 -31.2207 -14.1347 -14.1347 -13.5116 -13.5116 -12.4026 -12.4026 -12.0524 -12.0524 -11.1891 -11.1891 -10.9042 -10.9042 -10.7061 -10.7061 -10.5346 -10.5346 -6.6655 -6.6655 -6.5404 -6.5404 3.9516 3.9516 4.1542 4.1542 4.3141 4.3141 4.8780 4.8780 5.0467 5.0467 5.1048 5.1048 6.6158 6.6158 6.9433 6.9433 7.0768 7.0768 7.2816 7.2816 7.5846 7.5846 8.0940 8.0940 14.2938 14.2938 14.8677 14.8677 14.9690 14.9690 15.0788 15.0788 15.5168 15.5168 k = 0.1326-0.2034-0.3972 ( 3150 PWs) bands (ev): -31.2666 -31.2666 -31.2201 -31.2201 -14.1326 -14.1326 -13.5289 -13.5289 -12.4128 -12.4128 -12.0549 -12.0549 -11.1995 -11.1995 -10.9161 -10.9161 -10.7059 -10.7059 -10.5309 -10.5309 -6.6426 -6.6426 -6.5213 -6.5213 3.9547 3.9547 4.1594 4.1594 4.3104 4.3104 4.8918 4.8918 5.0588 5.0588 5.1278 5.1278 6.5891 6.5891 6.9307 6.9307 7.0880 7.0880 7.3010 7.3010 7.6019 7.6019 8.0892 8.0892 14.2585 14.2585 14.8899 14.8899 14.9890 14.9890 15.1357 15.1357 15.5284 15.5284 k = 0.1386-0.2127-0.4152 ( 3156 PWs) bands (ev): -31.2648 -31.2648 -31.2195 -31.2195 -14.1305 -14.1305 -13.5462 -13.5462 -12.4226 -12.4226 -12.0578 -12.0578 -11.2099 -11.2099 -10.9281 -10.9281 -10.7054 -10.7054 -10.5276 -10.5276 -6.6196 -6.6196 -6.5018 -6.5018 3.9585 3.9585 4.1641 4.1641 4.3030 4.3030 4.9099 4.9099 5.0697 5.0697 5.1509 5.1509 6.5623 6.5623 6.9175 6.9175 7.0988 7.0988 7.3231 7.3231 7.6199 7.6199 8.0848 8.0848 14.2232 14.2232 14.9126 14.9126 15.0039 15.0039 15.1950 15.1950 15.5391 15.5391 k = 0.1446-0.2219-0.4333 ( 3158 PWs) bands (ev): -31.2630 -31.2630 -31.2188 -31.2188 -14.1283 -14.1283 -13.5634 -13.5634 -12.4323 -12.4323 -12.0610 -12.0610 -11.2203 -11.2203 -10.9401 -10.9401 -10.7045 -10.7045 -10.5249 -10.5249 -6.5966 -6.5966 -6.4819 -6.4819 3.9629 3.9629 4.1684 4.1684 4.2923 4.2923 4.9316 4.9316 5.0795 5.0795 5.1740 5.1740 6.5363 6.5363 6.9042 6.9042 7.1090 7.1090 7.3474 7.3474 7.6383 7.6383 8.0808 8.0808 14.1879 14.1879 14.9358 14.9358 15.0165 15.0165 15.2528 15.2528 15.5488 15.5488 k = 0.1506-0.2312-0.4513 ( 3158 PWs) bands (ev): -31.2612 -31.2612 -31.2182 -31.2182 -14.1261 -14.1261 -13.5806 -13.5806 -12.4417 -12.4417 -12.0646 -12.0646 -11.2308 -11.2308 -10.9520 -10.9520 -10.7032 -10.7032 -10.5225 -10.5225 -6.5738 -6.5738 -6.4615 -6.4615 3.9677 3.9677 4.1723 4.1723 4.2791 4.2791 4.9564 4.9564 5.0879 5.0879 5.1969 5.1969 6.5114 6.5114 6.8910 6.8910 7.1187 7.1187 7.3735 7.3735 7.6571 7.6571 8.0771 8.0771 14.1524 14.1524 14.9593 14.9593 15.0278 15.0278 15.3074 15.3074 15.5575 15.5575 k = 0.1567-0.2404-0.4694 ( 3160 PWs) bands (ev): -31.2594 -31.2594 -31.2176 -31.2176 -14.1238 -14.1238 -13.5976 -13.5976 -12.4510 -12.4510 -12.0685 -12.0685 -11.2415 -11.2415 -10.9636 -10.9636 -10.7017 -10.7017 -10.5206 -10.5206 -6.5513 -6.5513 -6.4408 -6.4408 3.9728 3.9728 4.1759 4.1759 4.2640 4.2640 4.9834 4.9834 5.0951 5.0951 5.2193 5.2193 6.4881 6.4881 6.8782 6.8782 7.1278 7.1278 7.4008 7.4008 7.6760 7.6760 8.0740 8.0740 14.1167 14.1167 14.9828 14.9828 15.0385 15.0385 15.3578 15.3578 15.5652 15.5652 k = 0.1627-0.2497-0.4874 ( 3160 PWs) bands (ev): -31.2575 -31.2575 -31.2170 -31.2170 -14.1214 -14.1214 -13.6145 -13.6145 -12.4602 -12.4602 -12.0725 -12.0725 -11.2523 -11.2523 -10.9749 -10.9749 -10.6998 -10.6998 -10.5191 -10.5191 -6.5291 -6.5291 -6.4199 -6.4199 3.9780 3.9780 4.1792 4.1792 4.2477 4.2477 5.0119 5.0119 5.1009 5.1009 5.2411 5.2411 6.4669 6.4669 6.8660 6.8660 7.1363 7.1363 7.4289 7.4289 7.6948 7.6948 8.0714 8.0714 14.0807 14.0807 15.0058 15.0058 15.0489 15.0489 15.4033 15.4033 15.5721 15.5721 k = 0.1687-0.2589-0.5055 ( 3162 PWs) bands (ev): -31.2557 -31.2557 -31.2164 -31.2164 -14.1189 -14.1189 -13.6311 -13.6311 -12.4692 -12.4692 -12.0767 -12.0767 -11.2635 -11.2635 -10.9857 -10.9857 -10.6976 -10.6976 -10.5178 -10.5178 -6.5074 -6.5074 -6.3988 -6.3988 3.9831 3.9831 4.1822 4.1822 4.2308 4.2308 5.0411 5.0411 5.1053 5.1053 5.2621 5.2621 6.4480 6.4480 6.8549 6.8549 7.1442 7.1442 7.4574 7.4574 7.7134 7.7134 8.0694 8.0694 14.0443 14.0443 15.0269 15.0269 15.0605 15.0605 15.4435 15.4435 15.5783 15.5783 k = 0.1747-0.2682-0.5236 ( 3166 PWs) bands (ev): -31.2538 -31.2538 -31.2159 -31.2159 -14.1163 -14.1163 -13.6473 -13.6473 -12.4783 -12.4783 -12.0809 -12.0809 -11.2749 -11.2749 -10.9960 -10.9960 -10.6951 -10.6951 -10.5168 -10.5168 -6.4862 -6.4862 -6.3776 -6.3776 3.9878 3.9878 4.1848 4.1848 4.2140 4.2140 5.0703 5.0703 5.1085 5.1085 5.2822 5.2822 6.4318 6.4318 6.8451 6.8451 7.1515 7.1515 7.4859 7.4859 7.7314 7.7314 8.0682 8.0682 14.0074 14.0074 15.0439 15.0439 15.0755 15.0755 15.4784 15.4784 15.5839 15.5839 k = 0.1808-0.2774-0.5416 ( 3162 PWs) bands (ev): -31.2520 -31.2520 -31.2154 -31.2154 -14.1136 -14.1136 -13.6633 -13.6633 -12.4873 -12.4873 -12.0850 -12.0850 -11.2867 -11.2867 -11.0057 -11.0057 -10.6924 -10.6924 -10.5160 -10.5160 -6.4657 -6.4657 -6.3564 -6.3564 3.9920 3.9920 4.1849 4.1849 4.2002 4.2002 5.0977 5.0977 5.1118 5.1118 5.3013 5.3013 6.4185 6.4185 6.8368 6.8368 7.1582 7.1582 7.5140 7.5140 7.7486 7.7486 8.0680 8.0680 13.9698 13.9698 15.0557 15.0557 15.0950 15.0950 15.5081 15.5081 15.5892 15.5892 k = 0.1868-0.2867-0.5597 ( 3166 PWs) bands (ev): -31.2501 -31.2501 -31.2150 -31.2150 -14.1107 -14.1107 -13.6788 -13.6788 -12.4964 -12.4964 -12.0891 -12.0891 -11.2989 -11.2989 -11.0147 -11.0147 -10.6895 -10.6895 -10.5153 -10.5153 -6.4457 -6.4457 -6.3352 -6.3352 3.9955 3.9955 4.1748 4.1748 4.1973 4.1973 5.1075 5.1075 5.1305 5.1305 5.3192 5.3192 6.4083 6.4083 6.8303 6.8303 7.1642 7.1642 7.5414 7.5414 7.7645 7.7645 8.0689 8.0689 13.9316 13.9316 15.0642 15.0642 15.1168 15.1168 15.5326 15.5326 15.5946 15.5946 k = 0.1928-0.2959-0.5777 ( 3166 PWs) bands (ev): -31.2483 -31.2483 -31.2145 -31.2145 -14.1077 -14.1077 -13.6939 -13.6939 -12.5056 -12.5056 -12.0930 -12.0930 -11.3114 -11.3114 -11.0230 -11.0230 -10.6864 -10.6864 -10.5148 -10.5148 -6.4265 -6.4265 -6.3143 -6.3143 3.9979 3.9979 4.1598 4.1598 4.2006 4.2006 5.1070 5.1070 5.1571 5.1571 5.3357 5.3357 6.4013 6.4013 6.8258 6.8258 7.1693 7.1693 7.5679 7.5679 7.7788 7.7788 8.0713 8.0713 13.8927 13.8927 15.0713 15.0713 15.1391 15.1391 15.5525 15.5525 15.6005 15.6005 k = 0.1988-0.3052-0.5958 ( 3164 PWs) bands (ev): -31.2465 -31.2465 -31.2141 -31.2141 -14.1046 -14.1046 -13.7086 -13.7086 -12.5149 -12.5149 -12.0966 -12.0966 -11.3242 -11.3242 -11.0306 -11.0306 -10.6831 -10.6831 -10.5143 -10.5143 -6.4079 -6.4079 -6.2936 -6.2936 3.9992 3.9992 4.1448 4.1448 4.2054 4.2054 5.1046 5.1046 5.1828 5.1828 5.3509 5.3509 6.3975 6.3975 6.8235 6.8235 7.1737 7.1737 7.5933 7.5933 7.7913 7.7913 8.0753 8.0753 13.8530 13.8530 15.0778 15.0778 15.1609 15.1609 15.5683 15.5683 15.6072 15.6072 k = 0.2049-0.3144-0.6138 ( 3164 PWs) bands (ev): -31.2447 -31.2447 -31.2138 -31.2138 -14.1013 -14.1013 -13.7228 -13.7228 -12.5243 -12.5243 -12.0998 -12.0998 -11.3372 -11.3372 -11.0375 -11.0375 -10.6798 -10.6798 -10.5138 -10.5138 -6.3902 -6.3902 -6.2733 -6.2733 3.9994 3.9994 4.1306 4.1306 4.2110 4.2110 5.1009 5.1009 5.2068 5.2068 5.3645 5.3645 6.3970 6.3970 6.8236 6.8236 7.1772 7.1772 7.6174 7.6174 7.8015 7.8015 8.0812 8.0812 13.8126 13.8126 15.0843 15.0843 15.1815 15.1815 15.5806 15.5806 15.6149 15.6149 k = 0.2109-0.3236-0.6319 ( 3168 PWs) bands (ev): -31.2430 -31.2430 -31.2135 -31.2135 -14.0978 -14.0978 -13.7364 -13.7364 -12.5339 -12.5339 -12.1027 -12.1027 -11.3505 -11.3505 -11.0436 -11.0436 -10.6765 -10.6765 -10.5133 -10.5133 -6.3733 -6.3733 -6.2534 -6.2534 3.9983 3.9983 4.1175 4.1175 4.2173 4.2173 5.0963 5.0963 5.2288 5.2288 5.3764 5.3764 6.3996 6.3996 6.8262 6.8262 7.1797 7.1797 7.6398 7.6398 7.8092 7.8092 8.0890 8.0890 13.7717 13.7717 15.0913 15.0913 15.2004 15.2004 15.5907 15.5907 15.6237 15.6237 k = 0.2169-0.3329-0.6499 ( 3166 PWs) bands (ev): -31.2413 -31.2413 -31.2132 -31.2132 -14.0941 -14.0941 -13.7496 -13.7496 -12.5437 -12.5437 -12.1052 -12.1052 -11.3639 -11.3639 -11.0492 -11.0492 -10.6731 -10.6731 -10.5126 -10.5126 -6.3571 -6.3571 -6.2341 -6.2341 3.9961 3.9961 4.1058 4.1058 4.2241 4.2241 5.0909 5.0909 5.2486 5.2486 5.3868 5.3868 6.4053 6.4053 6.8313 6.8313 7.1813 7.1813 7.6606 7.6606 7.8145 7.8145 8.0987 8.0987 13.7303 13.7303 15.0990 15.0990 15.2171 15.2171 15.5995 15.5995 15.6334 15.6334 k = 0.2229-0.3421-0.6680 ( 3168 PWs) bands (ev): -31.2396 -31.2396 -31.2130 -31.2130 -14.0903 -14.0903 -13.7622 -13.7622 -12.5535 -12.5535 -12.1072 -12.1072 -11.3773 -11.3773 -11.0541 -11.0541 -10.6698 -10.6698 -10.5119 -10.5119 -6.3418 -6.3418 -6.2154 -6.2154 3.9928 3.9928 4.0956 4.0956 4.2310 4.2310 5.0851 5.0851 5.2661 5.2661 5.3954 5.3954 6.4139 6.4139 6.8389 6.8389 7.1818 7.1818 7.6794 7.6794 7.8173 7.8173 8.1102 8.1102 13.6888 13.6888 15.1076 15.1076 15.2314 15.2314 15.6077 15.6077 15.6441 15.6441 k = 0.2290-0.3514-0.6860 ( 3170 PWs) bands (ev): -31.2379 -31.2379 -31.2129 -31.2129 -14.0863 -14.0863 -13.7743 -13.7743 -12.5635 -12.5635 -12.1088 -12.1088 -11.3907 -11.3907 -11.0584 -11.0584 -10.6667 -10.6667 -10.5110 -10.5110 -6.3274 -6.3274 -6.1974 -6.1974 3.9886 3.9886 4.0869 4.0869 4.2379 4.2379 5.0792 5.0792 5.2811 5.2811 5.4023 5.4023 6.4253 6.4253 6.8490 6.8490 7.1813 7.1813 7.6963 7.6963 7.8178 7.8178 8.1232 8.1232 13.6472 13.6472 15.1173 15.1173 15.2428 15.2428 15.6156 15.6156 15.6563 15.6563 k = 0.2350-0.3606-0.7041 ( 3170 PWs) bands (ev): -31.2363 -31.2363 -31.2128 -31.2128 -14.0821 -14.0821 -13.7859 -13.7859 -12.5735 -12.5735 -12.1098 -12.1098 -11.4039 -11.4039 -11.0621 -11.0621 -10.6638 -10.6638 -10.5099 -10.5099 -6.3139 -6.3139 -6.1802 -6.1802 3.9837 3.9837 4.0798 4.0798 4.2445 4.2445 5.0734 5.0734 5.2935 5.2935 5.4077 5.4077 6.4391 6.4391 6.8614 6.8614 7.1798 7.1798 7.7111 7.7111 7.8163 7.8163 8.1373 8.1373 13.6060 13.6060 15.1281 15.1281 15.2513 15.2513 15.6232 15.6232 15.6704 15.6704 k = 0.2410-0.3699-0.7221 ( 3162 PWs) bands (ev): -31.2348 -31.2348 -31.2127 -31.2127 -14.0777 -14.0777 -13.7969 -13.7969 -12.5836 -12.5836 -12.1103 -12.1103 -11.4169 -11.4169 -11.0654 -11.0654 -10.6611 -10.6611 -10.5086 -10.5086 -6.3012 -6.3012 -6.1638 -6.1638 3.9782 3.9782 4.0744 4.0744 4.2505 4.2505 5.0681 5.0681 5.3034 5.3034 5.4116 5.4116 6.4552 6.4552 6.8759 6.8759 7.1772 7.1772 7.7237 7.7237 7.8130 7.8130 8.1522 8.1522 13.5654 13.5654 15.1402 15.1402 15.2570 15.2570 15.6303 15.6303 15.6867 15.6867 k = 0.2470-0.3791-0.7402 ( 3168 PWs) bands (ev): -31.2333 -31.2333 -31.2127 -31.2127 -14.0732 -14.0732 -13.8074 -13.8074 -12.5935 -12.5935 -12.1103 -12.1103 -11.4296 -11.4296 -11.0681 -11.0681 -10.6586 -10.6586 -10.5072 -10.5072 -6.2894 -6.2894 -6.1483 -6.1483 3.9722 3.9722 4.0706 4.0706 4.2556 4.2556 5.0636 5.0636 5.3106 5.3106 5.4142 5.4142 6.4733 6.4733 6.8922 6.8922 7.1737 7.1737 7.7341 7.7341 7.8083 7.8083 8.1676 8.1676 13.5257 13.5257 15.1534 15.1534 15.2599 15.2599 15.6371 15.6371 15.7051 15.7051 k = 0.2531-0.3884-0.7582 ( 3168 PWs) bands (ev): -31.2318 -31.2318 -31.2128 -31.2128 -14.0686 -14.0686 -13.8174 -13.8174 -12.6033 -12.6033 -12.1098 -12.1098 -11.4419 -11.4419 -11.0705 -11.0705 -10.6566 -10.6566 -10.5056 -10.5056 -6.2785 -6.2785 -6.1338 -6.1338 3.9659 3.9659 4.0687 4.0687 4.2595 4.2595 5.0601 5.0601 5.3151 5.3151 5.4156 5.4156 6.4931 6.4931 6.9101 6.9101 7.1693 7.1693 7.7423 7.7423 7.8025 7.8025 8.1830 8.1830 13.4873 13.4873 15.1676 15.1676 15.2604 15.2604 15.6438 15.6438 15.7253 15.7253 k = 0.2591-0.3976-0.7763 ( 3170 PWs) bands (ev): -31.2304 -31.2304 -31.2129 -31.2129 -14.0638 -14.0638 -13.8269 -13.8269 -12.6128 -12.6128 -12.1089 -12.1089 -11.4538 -11.4538 -11.0724 -11.0724 -10.6548 -10.6548 -10.5038 -10.5038 -6.2685 -6.2685 -6.1202 -6.1202 3.9594 3.9594 4.0684 4.0684 4.2620 4.2620 5.0581 5.0581 5.3170 5.3170 5.4162 5.4162 6.5142 6.5142 6.9293 6.9293 7.1641 7.1641 7.7482 7.7482 7.7958 7.7958 8.1983 8.1983 13.4504 13.4504 15.1826 15.1826 15.2590 15.2590 15.6504 15.6504 15.7469 15.7469 k = 0.2651-0.4069-0.7944 ( 3180 PWs) bands (ev): -31.2291 -31.2291 -31.2131 -31.2131 -14.0590 -14.0590 -13.8359 -13.8359 -12.6220 -12.6220 -12.1074 -12.1074 -11.4651 -11.4651 -11.0740 -11.0740 -10.6535 -10.6535 -10.5019 -10.5019 -6.2594 -6.2594 -6.1076 -6.1076 3.9527 3.9527 4.0699 4.0699 4.2630 4.2630 5.0575 5.0575 5.3164 5.3164 5.4160 5.4160 6.5364 6.5364 6.9494 6.9494 7.1583 7.1583 7.7519 7.7519 7.7885 7.7885 8.2131 8.2131 13.4153 13.4153 15.1980 15.1980 15.2562 15.2562 15.6571 15.6571 15.7694 15.7694 k = 0.2711-0.4161-0.8124 ( 3180 PWs) bands (ev): -31.2278 -31.2278 -31.2133 -31.2133 -14.0542 -14.0542 -13.8444 -13.8444 -12.6307 -12.6307 -12.1056 -12.1056 -11.4759 -11.4759 -11.0753 -11.0753 -10.6526 -10.6526 -10.5000 -10.5000 -6.2512 -6.2512 -6.0961 -6.0961 3.9461 3.9461 4.0730 4.0730 4.2624 4.2624 5.0588 5.0588 5.3133 5.3133 5.4152 5.4152 6.5594 6.5594 6.9700 6.9700 7.1518 7.1518 7.7535 7.7535 7.7808 7.7808 8.2272 8.2272 13.3823 13.3823 15.2131 15.2131 15.2528 15.2528 15.6639 15.6639 15.7923 15.7923 k = 0.2772-0.4254-0.8305 ( 3176 PWs) bands (ev): -31.2266 -31.2266 -31.2135 -31.2135 -14.0495 -14.0495 -13.8524 -13.8524 -12.6389 -12.6389 -12.1033 -12.1033 -11.4860 -11.4860 -11.0762 -11.0762 -10.6520 -10.6520 -10.4981 -10.4981 -6.2438 -6.2438 -6.0856 -6.0856 3.9394 3.9394 4.0778 4.0778 4.2601 4.2601 5.0618 5.0618 5.3081 5.3081 5.4139 5.4139 6.5827 6.5827 6.9908 6.9908 7.1450 7.1450 7.7531 7.7531 7.7730 7.7730 8.2404 8.2404 13.3517 13.3517 15.2254 15.2254 15.2516 15.2516 15.6710 15.6710 15.8153 15.8153 k = 0.2832-0.4346-0.8485 ( 3174 PWs) bands (ev): -31.2254 -31.2254 -31.2138 -31.2138 -14.0448 -14.0448 -13.8599 -13.8599 -12.6463 -12.6463 -12.1006 -12.1006 -11.4954 -11.4954 -11.0768 -11.0768 -10.6519 -10.6519 -10.4962 -10.4962 -6.2373 -6.2373 -6.0761 -6.0761 3.9328 3.9328 4.0843 4.0843 4.2561 4.2561 5.0666 5.0666 5.3008 5.3008 5.4122 5.4122 6.6060 6.6060 7.0114 7.0114 7.1381 7.1381 7.7507 7.7507 7.7652 7.7652 8.2526 8.2526 13.3235 13.3235 15.2290 15.2290 15.2583 15.2583 15.6782 15.6782 15.8378 15.8378 k = 0.2892-0.4439-0.8666 ( 3170 PWs) bands (ev): -31.2243 -31.2243 -31.2142 -31.2142 -14.0403 -14.0403 -13.8669 -13.8669 -12.6530 -12.6530 -12.0976 -12.0976 -11.5041 -11.5041 -11.0772 -11.0772 -10.6522 -10.6522 -10.4946 -10.4946 -6.2316 -6.2316 -6.0677 -6.0677 3.9262 3.9262 4.0922 4.0922 4.2507 4.2507 5.0733 5.0733 5.2918 5.2918 5.4103 5.4103 6.6288 6.6288 7.0313 7.0313 7.1311 7.1311 7.7465 7.7465 7.7577 7.7577 8.2636 8.2636 13.2982 13.2982 15.2254 15.2254 15.2716 15.2716 15.6856 15.6856 15.8595 15.8595 k = 0.2952-0.4531-0.8846 ( 3174 PWs) bands (ev): -31.2233 -31.2233 -31.2146 -31.2146 -14.0360 -14.0360 -13.8735 -13.8735 -12.6588 -12.6588 -12.0943 -12.0943 -11.5119 -11.5119 -11.0772 -11.0772 -10.6529 -10.6529 -10.4931 -10.4931 -6.2267 -6.2267 -6.0604 -6.0604 3.9196 3.9196 4.1016 4.1016 4.2439 4.2439 5.0816 5.0816 5.2814 5.2814 5.4080 5.4080 6.6509 6.6509 7.0504 7.0504 7.1245 7.1245 7.7409 7.7409 7.7506 7.7506 8.2732 8.2732 13.2756 13.2756 15.2197 15.2197 15.2863 15.2863 15.6931 15.6931 15.8798 15.8798 k = 0.3013-0.4624-0.9027 ( 3176 PWs) bands (ev): -31.2223 -31.2223 -31.2150 -31.2150 -14.0321 -14.0321 -13.8795 -13.8795 -12.6636 -12.6636 -12.0906 -12.0906 -11.5190 -11.5190 -11.0770 -11.0770 -10.6540 -10.6540 -10.4920 -10.4920 -6.2226 -6.2226 -6.0542 -6.0542 3.9129 3.9129 4.1122 4.1122 4.2361 4.2361 5.0914 5.0914 5.2699 5.2699 5.4055 5.4055 6.6717 6.6717 7.0680 7.0680 7.1185 7.1185 7.7341 7.7341 7.7440 7.7440 8.2815 8.2815 13.2561 13.2561 15.2136 15.2136 15.3008 15.3008 15.7006 15.7006 15.8985 15.8985 k = 0.3073-0.4716-0.9207 ( 3170 PWs) bands (ev): -31.2214 -31.2214 -31.2155 -31.2155 -14.0286 -14.0286 -13.8850 -13.8850 -12.6673 -12.6673 -12.0866 -12.0866 -11.5252 -11.5252 -11.0766 -11.0766 -10.6556 -10.6556 -10.4913 -10.4913 -6.2192 -6.2192 -6.0490 -6.0490 3.9060 3.9060 4.1241 4.1241 4.2275 4.2275 5.1026 5.1026 5.2574 5.2574 5.4028 5.4028 6.6909 6.6909 7.0839 7.0839 7.1135 7.1135 7.7264 7.7264 7.7381 7.7381 8.2882 8.2882 13.2397 13.2397 15.2078 15.2078 15.3143 15.3143 15.7080 15.7080 15.9151 15.9151 k = 0.3133-0.4808-0.9388 ( 3170 PWs) bands (ev): -31.2205 -31.2205 -31.2161 -31.2161 -14.0256 -14.0256 -13.8899 -13.8899 -12.6698 -12.6698 -12.0824 -12.0824 -11.5306 -11.5306 -11.0759 -11.0759 -10.6575 -10.6575 -10.4912 -10.4912 -6.2165 -6.2165 -6.0448 -6.0448 3.8989 3.8989 4.1369 4.1369 4.2186 4.2186 5.1148 5.1148 5.2444 5.2444 5.4000 5.4000 6.7080 6.7080 7.0966 7.0966 7.1108 7.1108 7.7182 7.7182 7.7331 7.7331 8.2933 8.2933 13.2264 13.2264 15.2026 15.2026 15.3265 15.3265 15.7151 15.7151 15.9292 15.9292 k = 0.3193-0.4901-0.9568 ( 3170 PWs) bands (ev): -31.2197 -31.2197 -31.2166 -31.2166 -14.0233 -14.0233 -13.8942 -13.8942 -12.6710 -12.6710 -12.0780 -12.0780 -11.5350 -11.5350 -11.0749 -11.0749 -10.6599 -10.6599 -10.4915 -10.4915 -6.2144 -6.2144 -6.0416 -6.0416 3.8913 3.8913 4.1504 4.1504 4.2099 4.2099 5.1278 5.1278 5.2311 5.2311 5.3972 5.3972 6.7227 6.7227 7.1011 7.1011 7.1151 7.1151 7.7097 7.7097 7.7291 7.7291 8.2968 8.2968 13.2163 13.2163 15.1983 15.1983 15.3370 15.3370 15.7218 15.7218 15.9405 15.9405 k = 0.3254-0.4993-0.9749 ( 3164 PWs) bands (ev): -31.2190 -31.2190 -31.2172 -31.2172 -14.0218 -14.0218 -13.8978 -13.8978 -12.6710 -12.6710 -12.0734 -12.0734 -11.5384 -11.5384 -11.0738 -11.0738 -10.6626 -10.6626 -10.4926 -10.4926 -6.2129 -6.2129 -6.0394 -6.0394 3.8832 3.8832 4.1640 4.1640 4.2022 4.2022 5.1411 5.1411 5.2178 5.2178 5.3945 5.3945 6.7348 6.7348 7.0999 7.0999 7.1239 7.1239 7.7014 7.7014 7.7262 7.7262 8.2986 8.2986 13.2094 13.2094 15.1950 15.1950 15.3456 15.3456 15.7281 15.7281 15.9489 15.9489 k = 0.3314-0.5086-0.9929 ( 3162 PWs) bands (ev): -31.2183 -31.2183 -31.2178 -31.2178 -14.0212 -14.0212 -13.9006 -13.9006 -12.6695 -12.6695 -12.0687 -12.0687 -11.5409 -11.5409 -11.0724 -11.0724 -10.6658 -10.6658 -10.4944 -10.4944 -6.2120 -6.2120 -6.0381 -6.0381 3.8743 3.8743 4.1752 4.1752 4.1980 4.1980 5.1541 5.1541 5.2053 5.2053 5.3919 5.3919 6.7441 6.7441 7.0985 7.0985 7.1315 7.1315 7.6938 7.6938 7.7246 7.7246 8.2988 8.2988 13.2058 13.2058 15.1929 15.1929 15.3521 15.3521 15.7336 15.7336 15.9547 15.9547 k = 0.3374-0.5178-1.0110 ( 3162 PWs) bands (ev): -31.2185 -31.2185 -31.2176 -31.2176 -14.0214 -14.0214 -13.9028 -13.9028 -12.6667 -12.6667 -12.0640 -12.0640 -11.5422 -11.5422 -11.0708 -11.0708 -10.6694 -10.6694 -10.4969 -10.4969 -6.2115 -6.2115 -6.0378 -6.0378 3.8646 3.8646 4.1775 4.1775 4.2041 4.2041 5.1645 5.1645 5.1957 5.1957 5.3896 5.3896 6.7508 6.7508 7.0973 7.0973 7.1370 7.1370 7.6873 7.6873 7.7241 7.7241 8.2972 8.2972 13.2053 13.2053 15.1921 15.1921 15.3562 15.3562 15.7385 15.7385 15.9582 15.9582 k = 0.3434-0.5271-1.0290 ( 3160 PWs) bands (ev): -31.2192 -31.2192 -31.2170 -31.2170 -14.0226 -14.0226 -13.9043 -13.9043 -12.6624 -12.6624 -12.0592 -12.0592 -11.5425 -11.5425 -11.0690 -11.0690 -10.6735 -10.6735 -10.5004 -10.5004 -6.2115 -6.2115 -6.0383 -6.0383 3.8540 3.8540 4.1739 4.1739 4.2176 4.2176 5.1656 5.1656 5.1958 5.1958 5.3877 5.3877 6.7550 6.7550 7.0959 7.0959 7.1404 7.1404 7.6823 7.6823 7.7247 7.7247 8.2940 8.2940 13.2080 13.2080 15.1926 15.1926 15.3577 15.3577 15.7426 15.7426 15.9605 15.9605 k = 0.6566-0.3786-0.9383 ( 3160 PWs) bands (ev): -31.2192 -31.2192 -31.2170 -31.2170 -14.0226 -14.0226 -13.9043 -13.9043 -12.6624 -12.6624 -12.0592 -12.0592 -11.5425 -11.5425 -11.0690 -11.0690 -10.6735 -10.6735 -10.5004 -10.5004 -6.2115 -6.2115 -6.0383 -6.0383 3.8540 3.8540 4.1739 4.1739 4.2176 4.2176 5.1656 5.1656 5.1958 5.1958 5.3877 5.3877 6.7550 6.7550 7.0959 7.0959 7.1404 7.1404 7.6823 7.6823 7.7247 7.7247 8.2940 8.2940 13.2080 13.2080 15.1926 15.1926 15.3577 15.3577 15.7426 15.7426 15.9605 15.9605 k = 0.6505-0.3583-0.9383 ( 3160 PWs) bands (ev): -31.2199 -31.2199 -31.2165 -31.2165 -14.0247 -14.0247 -13.9052 -13.9052 -12.6566 -12.6566 -12.0546 -12.0546 -11.5416 -11.5416 -11.0669 -11.0669 -10.6780 -10.6780 -10.5047 -10.5047 -6.2118 -6.2118 -6.0396 -6.0396 3.8423 3.8423 4.1700 4.1700 4.2328 4.2328 5.1573 5.1573 5.2056 5.2056 5.3862 5.3862 6.7570 6.7570 7.0941 7.0941 7.1416 7.1416 7.6794 7.6794 7.7264 7.7264 8.2891 8.2891 13.2137 13.2137 15.1946 15.1946 15.3566 15.3566 15.7460 15.7460 15.9622 15.9622 k = 0.6445-0.3380-0.9383 ( 3164 PWs) bands (ev): -31.2206 -31.2206 -31.2160 -31.2160 -14.0276 -14.0276 -13.9054 -13.9054 -12.6494 -12.6494 -12.0502 -12.0502 -11.5395 -11.5395 -11.0647 -11.0647 -10.6829 -10.6829 -10.5100 -10.5100 -6.2125 -6.2125 -6.0417 -6.0417 3.8296 3.8296 4.1672 4.1672 4.2483 4.2483 5.1468 5.1468 5.2178 5.2178 5.3853 5.3853 6.7571 6.7571 7.0913 7.0913 7.1409 7.1409 7.6786 7.6786 7.7290 7.7290 8.2825 8.2825 13.2225 13.2225 15.1979 15.1979 15.3526 15.3526 15.7486 15.7486 15.9639 15.9639 k = 0.6385-0.3177-0.9383 ( 3160 PWs) bands (ev): -31.2213 -31.2213 -31.2156 -31.2156 -14.0312 -14.0312 -13.9053 -13.9053 -12.6407 -12.6407 -12.0460 -12.0460 -11.5360 -11.5360 -11.0622 -11.0622 -10.6883 -10.6883 -10.5163 -10.5163 -6.2134 -6.2134 -6.0445 -6.0445 3.8159 3.8159 4.1660 4.1660 4.2635 4.2635 5.1364 5.1364 5.2300 5.2300 5.3850 5.3850 6.7559 6.7559 7.0870 7.0870 7.1383 7.1383 7.6804 7.6804 7.7324 7.7324 8.2744 8.2744 13.2342 13.2342 15.2026 15.2026 15.3456 15.3456 15.7505 15.7505 15.9660 15.9660 k = 0.6325-0.2975-0.9383 ( 3168 PWs) bands (ev): -31.2220 -31.2220 -31.2152 -31.2152 -14.0356 -14.0356 -13.9048 -13.9048 -12.6307 -12.6307 -12.0424 -12.0424 -11.5312 -11.5312 -11.0596 -11.0596 -10.6941 -10.6941 -10.5236 -10.5236 -6.2145 -6.2145 -6.0480 -6.0480 3.8014 3.8014 4.1662 4.1662 4.2781 4.2781 5.1267 5.1267 5.2417 5.2417 5.3855 5.3855 6.7536 6.7536 7.0812 7.0812 7.1341 7.1341 7.6846 7.6846 7.7365 7.7365 8.2648 8.2648 13.2487 13.2487 15.2086 15.2086 15.3358 15.3358 15.7519 15.7519 15.9688 15.9688 k = 0.6265-0.2772-0.9383 ( 3166 PWs) bands (ev): -31.2227 -31.2227 -31.2148 -31.2148 -14.0404 -14.0404 -13.9040 -13.9040 -12.6192 -12.6192 -12.0392 -12.0392 -11.5249 -11.5249 -11.0568 -11.0568 -10.7005 -10.7005 -10.5319 -10.5319 -6.2157 -6.2157 -6.0522 -6.0522 3.7861 3.7861 4.1681 4.1681 4.2920 4.2920 5.1180 5.1180 5.2526 5.2526 5.3869 5.3869 6.7505 6.7505 7.0737 7.0737 7.1285 7.1285 7.6913 7.6913 7.7410 7.7410 8.2537 8.2537 13.2660 13.2660 15.2158 15.2158 15.3229 15.3229 15.7527 15.7527 15.9724 15.9724 k = 0.6204-0.2569-0.9383 ( 3170 PWs) bands (ev): -31.2235 -31.2235 -31.2145 -31.2145 -14.0457 -14.0457 -13.9031 -13.9031 -12.6064 -12.6064 -12.0367 -12.0367 -11.5171 -11.5171 -11.0537 -11.0537 -10.7073 -10.7073 -10.5412 -10.5412 -6.2170 -6.2170 -6.0568 -6.0568 3.7703 3.7703 4.1713 4.1713 4.3048 4.3048 5.1104 5.1104 5.2623 5.2623 5.3891 5.3891 6.7471 6.7471 7.0646 7.0646 7.1217 7.1217 7.7003 7.7003 7.7459 7.7459 8.2412 8.2412 13.2860 13.2860 15.2240 15.2240 15.3072 15.3072 15.7531 15.7531 15.9767 15.9767 k = 0.6144-0.2367-0.9383 ( 3176 PWs) bands (ev): -31.2242 -31.2242 -31.2142 -31.2142 -14.0513 -14.0513 -13.9021 -13.9021 -12.5924 -12.5924 -12.0350 -12.0350 -11.5077 -11.5077 -11.0506 -11.0506 -10.7147 -10.7147 -10.5515 -10.5515 -6.2183 -6.2183 -6.0620 -6.0620 3.7541 3.7541 4.1760 4.1760 4.3165 4.3165 5.1039 5.1039 5.2709 5.2709 5.3922 5.3922 6.7434 6.7434 7.0540 7.0540 7.1140 7.1140 7.7111 7.7111 7.7511 7.7511 8.2275 8.2275 13.3084 13.3084 15.2332 15.2332 15.2887 15.2887 15.7530 15.7530 15.9819 15.9819 k = 0.6084-0.2164-0.9383 ( 3182 PWs) bands (ev): -31.2249 -31.2249 -31.2140 -31.2140 -14.0571 -14.0571 -13.9010 -13.9010 -12.5772 -12.5772 -12.0341 -12.0341 -11.4967 -11.4967 -11.0473 -11.0473 -10.7226 -10.7226 -10.5629 -10.5629 -6.2196 -6.2196 -6.0676 -6.0676 3.7378 3.7378 4.1818 4.1818 4.3269 4.3269 5.0986 5.0986 5.2782 5.2782 5.3964 5.3964 6.7398 6.7398 7.0423 7.0423 7.1056 7.1056 7.7234 7.7234 7.7564 7.7564 8.2127 8.2127 13.3333 13.3333 15.2429 15.2429 15.2677 15.2677 15.7527 15.7527 15.9878 15.9878 k = 0.6024-0.1961-0.9383 ( 3182 PWs) bands (ev): -31.2256 -31.2256 -31.2138 -31.2138 -14.0630 -14.0630 -13.9000 -13.9000 -12.5608 -12.5608 -12.0343 -12.0343 -11.4840 -11.4840 -11.0438 -11.0438 -10.7310 -10.7310 -10.5751 -10.5751 -6.2209 -6.2209 -6.0737 -6.0737 3.7214 3.7214 4.1887 4.1887 4.3359 4.3359 5.0945 5.0945 5.2842 5.2842 5.4015 5.4015 6.7362 6.7362 7.0298 7.0298 7.0966 7.0966 7.7369 7.7369 7.7620 7.7620 8.1968 8.1968 13.3603 13.3603 15.2425 15.2425 15.2548 15.2548 15.7520 15.7520 15.9943 15.9943 k = 0.5963-0.1758-0.9383 ( 3188 PWs) bands (ev): -31.2263 -31.2263 -31.2136 -31.2136 -14.0690 -14.0690 -13.8991 -13.8991 -12.5435 -12.5435 -12.0355 -12.0355 -11.4698 -11.4698 -11.0402 -11.0402 -10.7399 -10.7399 -10.5882 -10.5882 -6.2220 -6.2220 -6.0800 -6.0800 3.7052 3.7052 4.1965 4.1965 4.3436 4.3436 5.0914 5.0914 5.2888 5.2888 5.4077 5.4077 6.7330 6.7330 7.0168 7.0168 7.0873 7.0873 7.7507 7.7507 7.7680 7.7680 8.1800 8.1800 13.3894 13.3894 15.2172 15.2172 15.2650 15.2650 15.7510 15.7510 16.0014 16.0014 k = 0.5903-0.1556-0.9383 ( 3188 PWs) bands (ev): -31.2270 -31.2270 -31.2135 -31.2135 -14.0750 -14.0750 -13.8983 -13.8983 -12.5252 -12.5252 -12.0378 -12.0378 -11.4539 -11.4539 -11.0366 -11.0366 -10.7495 -10.7495 -10.6020 -10.6020 -6.2229 -6.2229 -6.0866 -6.0866 3.6893 3.6893 4.2050 4.2050 4.3499 4.3499 5.0892 5.0892 5.2922 5.2922 5.4148 5.4148 6.7300 6.7300 7.0036 7.0036 7.0779 7.0779 7.7636 7.7636 7.7753 7.7753 8.1624 8.1624 13.4204 13.4204 15.1892 15.1892 15.2761 15.2761 15.7497 15.7497 16.0090 16.0090 k = 0.5843-0.1353-0.9383 ( 3188 PWs) bands (ev): -31.2276 -31.2276 -31.2133 -31.2133 -14.0809 -14.0809 -13.8975 -13.8975 -12.5061 -12.5061 -12.0413 -12.0413 -11.4365 -11.4365 -11.0330 -11.0330 -10.7596 -10.7596 -10.6165 -10.6165 -6.2236 -6.2236 -6.0934 -6.0934 3.6739 3.6739 4.2140 4.2140 4.3549 4.3549 5.0879 5.0879 5.2942 5.2942 5.4228 5.4228 6.7273 6.7273 6.9906 6.9906 7.0684 7.0684 7.7730 7.7730 7.7863 7.7863 8.1443 8.1443 13.4531 13.4531 15.1593 15.1593 15.2873 15.2873 15.7481 15.7481 16.0168 16.0168 k = 0.5783-0.1150-0.9383 ( 3188 PWs) bands (ev): -31.2282 -31.2282 -31.2132 -31.2132 -14.0866 -14.0866 -13.8969 -13.8969 -12.4864 -12.4864 -12.0460 -12.0460 -11.4175 -11.4175 -11.0294 -11.0294 -10.7704 -10.7704 -10.6314 -10.6314 -6.2240 -6.2240 -6.1004 -6.1004 3.6591 3.6591 4.2235 4.2235 4.3586 4.3586 5.0873 5.0873 5.2950 5.2950 5.4316 5.4316 6.7250 6.7250 6.9779 6.9779 7.0592 7.0592 7.7795 7.7795 7.8001 7.8001 8.1257 8.1257 13.4871 13.4871 15.1279 15.1279 15.2983 15.2983 15.7463 15.7463 16.0248 16.0248 k = 0.5723-0.0947-0.9383 ( 3192 PWs) bands (ev): -31.2288 -31.2288 -31.2131 -31.2131 -14.0921 -14.0921 -13.8964 -13.8964 -12.4660 -12.4660 -12.0520 -12.0520 -11.3972 -11.3972 -11.0259 -11.0259 -10.7818 -10.7818 -10.6467 -10.6467 -6.2242 -6.2242 -6.1075 -6.1075 3.6450 3.6450 4.2332 4.2332 4.3614 4.3614 5.0871 5.0871 5.2946 5.2946 5.4411 5.4411 6.7230 6.7230 6.9658 6.9658 7.0502 7.0502 7.7850 7.7850 7.8143 7.8143 8.1069 8.1069 13.5223 13.5223 15.0953 15.0953 15.3091 15.3091 15.7443 15.7443 16.0329 16.0329 k = 0.5662-0.0745-0.9383 ( 3180 PWs) bands (ev): -31.2294 -31.2294 -31.2131 -31.2131 -14.0973 -14.0973 -13.8960 -13.8960 -12.4451 -12.4451 -12.0591 -12.0591 -11.3756 -11.3756 -11.0227 -11.0227 -10.7938 -10.7938 -10.6620 -10.6620 -6.2241 -6.2241 -6.1146 -6.1146 3.6317 3.6317 4.2430 4.2430 4.3631 4.3631 5.0874 5.0874 5.2932 5.2932 5.4511 5.4511 6.7212 6.7212 6.9545 6.9545 7.0417 7.0417 7.7903 7.7903 7.8282 7.8282 8.0880 8.0880 13.5582 13.5582 15.0618 15.0618 15.3195 15.3195 15.7420 15.7420 16.0409 16.0409 k = 0.5602-0.0542-0.9383 ( 3176 PWs) bands (ev): -31.2299 -31.2299 -31.2130 -31.2130 -14.1023 -14.1023 -13.8956 -13.8956 -12.4238 -12.4238 -12.0675 -12.0675 -11.3528 -11.3528 -11.0200 -11.0200 -10.8063 -10.8063 -10.6771 -10.6771 -6.2236 -6.2236 -6.1216 -6.1216 3.6192 3.6192 4.2527 4.2527 4.3641 4.3641 5.0879 5.0879 5.2910 5.2910 5.4614 5.4614 6.7198 6.7198 6.9441 6.9441 7.0337 7.0337 7.7955 7.7955 7.8414 7.8414 8.0692 8.0692 13.5946 13.5946 15.0277 15.0277 15.3292 15.3292 15.7397 15.7397 16.0487 16.0487 k = 0.5542-0.0339-0.9383 ( 3172 PWs) bands (ev): -31.2303 -31.2303 -31.2129 -31.2129 -14.1069 -14.1069 -13.8954 -13.8954 -12.4023 -12.4023 -12.0770 -12.0770 -11.3290 -11.3290 -11.0179 -11.0179 -10.8194 -10.8194 -10.6918 -10.6918 -6.2229 -6.2229 -6.1286 -6.1286 3.6078 3.6078 4.2621 4.2621 4.3645 4.3645 5.0886 5.0886 5.2880 5.2880 5.4718 5.4718 6.7185 6.7185 6.9347 6.9347 7.0262 7.0262 7.8006 7.8006 7.8537 7.8537 8.0508 8.0508 13.6310 13.6310 14.9936 14.9936 15.3383 15.3383 15.7372 15.7372 16.0562 16.0562 k = 0.5482-0.0137-0.9383 ( 3170 PWs) bands (ev): -31.2308 -31.2308 -31.2129 -31.2129 -14.1111 -14.1111 -13.8952 -13.8952 -12.3807 -12.3807 -12.0877 -12.0877 -11.3044 -11.3044 -11.0169 -11.0169 -10.8327 -10.8327 -10.7058 -10.7058 -6.2218 -6.2218 -6.1354 -6.1354 3.5974 3.5974 4.2711 4.2711 4.3644 4.3644 5.0894 5.0894 5.2846 5.2846 5.4820 5.4820 6.7174 6.7174 6.9264 6.9264 7.0195 7.0195 7.8058 7.8058 7.8650 7.8650 8.0330 8.0330 13.6668 13.6668 14.9599 14.9599 15.3467 15.3467 15.7347 15.7347 16.0634 16.0634 k = 0.5422 0.0066-0.9383 ( 3166 PWs) bands (ev): -31.2312 -31.2312 -31.2129 -31.2129 -14.1149 -14.1149 -13.8951 -13.8951 -12.3591 -12.3591 -12.0995 -12.0995 -11.2791 -11.2791 -11.0173 -11.0173 -10.8460 -10.8460 -10.7188 -10.7188 -6.2203 -6.2203 -6.1420 -6.1420 3.5881 3.5881 4.2795 4.2795 4.3640 4.3640 5.0902 5.0902 5.2810 5.2810 5.4918 5.4918 6.7165 6.7165 6.9191 6.9191 7.0134 7.0134 7.8111 7.8111 7.8750 7.8750 8.0160 8.0160 13.7014 13.7014 14.9273 14.9273 15.3541 15.3541 15.7323 15.7323 16.0701 16.0701 k = 0.5361 0.0269-0.9383 ( 3158 PWs) bands (ev): -31.2315 -31.2315 -31.2129 -31.2129 -14.1182 -14.1182 -13.8950 -13.8950 -12.3375 -12.3375 -12.1124 -12.1124 -11.2533 -11.2533 -11.0197 -11.0197 -10.8586 -10.8586 -10.7306 -10.7306 -6.2186 -6.2186 -6.1483 -6.1483 3.5799 3.5799 4.2871 4.2871 4.3634 4.3634 5.0909 5.0909 5.2772 5.2772 5.5009 5.5009 6.7157 6.7157 6.9129 6.9129 7.0081 7.0081 7.8165 7.8165 7.8836 7.8836 8.0001 8.0001 13.7342 13.7342 14.8963 14.8963 15.3607 15.3607 15.7299 15.7299 16.0762 16.0762 k = 0.5301 0.0472-0.9383 ( 3160 PWs) bands (ev): -31.2318 -31.2318 -31.2128 -31.2128 -14.1211 -14.1211 -13.8950 -13.8950 -12.3162 -12.3162 -12.1262 -12.1262 -11.2273 -11.2273 -11.0249 -11.0249 -10.8700 -10.8700 -10.7411 -10.7411 -6.2167 -6.2167 -6.1542 -6.1542 3.5730 3.5730 4.2939 4.2939 4.3628 4.3628 5.0916 5.0916 5.2736 5.2736 5.5090 5.5090 6.7150 6.7150 6.9077 6.9077 7.0036 7.0036 7.8219 7.8219 7.8908 7.8908 7.9857 7.9857 13.7643 13.7643 14.8678 14.8678 15.3663 15.3663 15.7278 15.7278 16.0816 16.0816 k = 0.5241 0.0674-0.9383 ( 3160 PWs) bands (ev): -31.2320 -31.2320 -31.2128 -31.2128 -14.1235 -14.1235 -13.8949 -13.8949 -12.2953 -12.2953 -12.1410 -12.1410 -11.2013 -11.2013 -11.0333 -11.0333 -10.8796 -10.8796 -10.7499 -10.7499 -6.2147 -6.2147 -6.1596 -6.1596 3.5672 3.5672 4.2995 4.2995 4.3621 4.3621 5.0922 5.0922 5.2704 5.2704 5.5160 5.5160 6.7145 6.7145 6.9036 6.9036 6.9999 6.9999 7.8272 7.8272 7.8964 7.8964 7.9730 7.9730 13.7908 13.7908 14.8426 14.8426 15.3709 15.3709 15.7260 15.7260 16.0863 16.0863 k = 0.5181 0.0877-0.9383 ( 3162 PWs) bands (ev): -31.2322 -31.2322 -31.2128 -31.2128 -14.1254 -14.1254 -13.8949 -13.8949 -12.2750 -12.2750 -12.1565 -12.1565 -11.1757 -11.1757 -11.0452 -11.0452 -10.8869 -10.8869 -10.7570 -10.7570 -6.2126 -6.2126 -6.1642 -6.1642 3.5627 3.5627 4.3041 4.3041 4.3615 4.3615 5.0927 5.0927 5.2676 5.2676 5.5216 5.5216 6.7140 6.7140 6.9004 6.9004 6.9971 6.9971 7.8321 7.8321 7.9002 7.9002 7.9627 7.9627 13.8128 13.8128 14.8217 14.8217 15.3745 15.3745 15.7244 15.7244 16.0902 16.0902 k = 0.5120 0.1080-0.9383 ( 3166 PWs) bands (ev): -31.2324 -31.2324 -31.2128 -31.2128 -14.1267 -14.1267 -13.8949 -13.8949 -12.2558 -12.2558 -12.1722 -12.1722 -11.1508 -11.1508 -11.0604 -11.0604 -10.8919 -10.8919 -10.7622 -10.7622 -6.2108 -6.2108 -6.1679 -6.1679 3.5595 3.5595 4.3074 4.3074 4.3611 4.3611 5.0930 5.0930 5.2655 5.2655 5.5258 5.5258 6.7137 6.7137 6.8982 6.8982 6.9950 6.9950 7.8363 7.8363 7.9024 7.9024 7.9552 7.9552 13.8293 13.8293 14.8059 14.8059 15.3771 15.3771 15.7233 15.7233 16.0932 16.0932 k = 0.5060 0.1282-0.9383 ( 3170 PWs) bands (ev): -31.2324 -31.2324 -31.2128 -31.2128 -14.1275 -14.1275 -13.8950 -13.8950 -12.2388 -12.2388 -12.1871 -12.1871 -11.1276 -11.1276 -11.0778 -11.0778 -10.8947 -10.8947 -10.7654 -10.7654 -6.2095 -6.2095 -6.1704 -6.1704 3.5575 3.5575 4.3094 4.3094 4.3608 4.3608 5.0933 5.0933 5.2643 5.2643 5.5283 5.5283 6.7135 6.7135 6.8969 6.8969 6.9938 6.9938 7.8392 7.8392 7.9033 7.9033 7.9506 7.9506 13.8396 13.8396 14.7961 14.7961 15.3786 15.3786 15.7226 15.7226 16.0951 16.0951 k = 0.5000 0.1485-0.9383 ( 3170 PWs) bands (ev): -31.2325 -31.2325 -31.2128 -31.2128 -14.1278 -14.1278 -13.8950 -13.8950 -12.2302 -12.2302 -12.1950 -12.1950 -11.1130 -11.1130 -11.0905 -11.0905 -10.8956 -10.8956 -10.7664 -10.7664 -6.2090 -6.2090 -6.1712 -6.1712 3.5569 3.5569 4.3100 4.3100 4.3607 4.3607 5.0933 5.0933 5.2638 5.2638 5.5292 5.5292 6.7134 6.7134 6.8965 6.8965 6.9934 6.9934 7.8402 7.8402 7.9035 7.9035 7.9492 7.9492 13.8430 13.8430 14.7928 14.7928 15.3791 15.3791 15.7223 15.7223 16.0957 16.0957 k = 0.5000 0.1485-0.9383 ( 3170 PWs) bands (ev): -31.2325 -31.2325 -31.2128 -31.2128 -14.1278 -14.1278 -13.8950 -13.8950 -12.2302 -12.2302 -12.1950 -12.1950 -11.1130 -11.1130 -11.0905 -11.0905 -10.8956 -10.8956 -10.7664 -10.7664 -6.2090 -6.2090 -6.1712 -6.1712 3.5569 3.5569 4.3100 4.3100 4.3607 4.3607 5.0933 5.0933 5.2638 5.2638 5.5292 5.5292 6.7134 6.7134 6.8965 6.8965 6.9934 6.9934 7.8402 7.8402 7.9035 7.9035 7.9492 7.9492 13.8430 13.8430 14.7928 14.7928 15.3791 15.3791 15.7223 15.7223 16.0957 16.0957 k = 0.5174 0.1537-0.9282 ( 3172 PWs) bands (ev): -31.2324 -31.2324 -31.2128 -31.2128 -14.1277 -14.1277 -13.8948 -13.8948 -12.2311 -12.2311 -12.1949 -12.1949 -11.1152 -11.1152 -11.0891 -11.0891 -10.8953 -10.8953 -10.7652 -10.7652 -6.2092 -6.2092 -6.1714 -6.1714 3.5580 3.5580 4.3102 4.3102 4.3605 4.3605 5.0921 5.0921 5.2635 5.2635 5.5290 5.5290 6.7137 6.7137 6.8964 6.8964 6.9943 6.9943 7.8373 7.8373 7.9051 7.9051 7.9493 7.9493 13.8436 13.8436 14.7932 14.7932 15.3757 15.3757 15.7253 15.7253 16.0951 16.0951 k = 0.5348 0.1589-0.9181 ( 3169 PWs) bands (ev): -31.2324 -31.2324 -31.2129 -31.2129 -14.1272 -14.1272 -13.8943 -13.8943 -12.2335 -12.2335 -12.1946 -12.1946 -11.1204 -11.1204 -11.0861 -11.0861 -10.8945 -10.8945 -10.7616 -10.7616 -6.2096 -6.2096 -6.1720 -6.1720 3.5615 3.5615 4.3106 4.3106 4.3598 4.3598 5.0886 5.0886 5.2624 5.2624 5.5284 5.5284 6.7147 6.7147 6.8963 6.8963 6.9972 6.9972 7.8294 7.8294 7.9091 7.9091 7.9499 7.9499 13.8453 13.8453 14.7944 14.7944 15.3656 15.3656 15.7338 15.7338 16.0934 16.0934 k = 0.5522 0.1640-0.9080 ( 3170 PWs) bands (ev): -31.2323 -31.2323 -31.2130 -31.2130 -14.1265 -14.1265 -13.8936 -13.8936 -12.2374 -12.2374 -12.1943 -12.1943 -11.1273 -11.1273 -11.0829 -11.0829 -10.8930 -10.8930 -10.7557 -10.7557 -6.2104 -6.2104 -6.1731 -6.1731 3.5671 3.5671 4.3112 4.3112 4.3586 4.3586 5.0828 5.0828 5.2605 5.2605 5.5275 5.5275 6.7165 6.7165 6.8961 6.8961 7.0018 7.0018 7.8178 7.8178 7.9140 7.9140 7.9510 7.9510 13.8481 13.8481 14.7965 14.7965 15.3498 15.3498 15.7472 15.7472 16.0906 16.0906 k = 0.5696 0.1692-0.8979 ( 3168 PWs) bands (ev): -31.2322 -31.2322 -31.2132 -31.2132 -14.1255 -14.1255 -13.8925 -13.8925 -12.2425 -12.2425 -12.1942 -12.1942 -11.1350 -11.1350 -11.0801 -11.0801 -10.8908 -10.8908 -10.7478 -10.7478 -6.2115 -6.2115 -6.1745 -6.1745 3.5750 3.5750 4.3121 4.3121 4.3571 4.3571 5.0750 5.0750 5.2577 5.2577 5.5263 5.5263 6.7192 6.7192 6.8958 6.8958 7.0080 7.0080 7.8035 7.8035 7.9188 7.9188 7.9528 7.9528 13.8519 13.8519 14.7994 14.7994 15.3294 15.3294 15.7647 15.7647 16.0867 16.0867 k = 0.5870 0.1744-0.8878 ( 3169 PWs) bands (ev): -31.2321 -31.2321 -31.2134 -31.2134 -14.1242 -14.1242 -13.8911 -13.8911 -12.2486 -12.2486 -12.1943 -12.1943 -11.1431 -11.1431 -11.0781 -11.0781 -10.8879 -10.8879 -10.7382 -10.7382 -6.2129 -6.2129 -6.1763 -6.1763 3.5851 3.5851 4.3132 4.3132 4.3551 4.3551 5.0652 5.0652 5.2540 5.2540 5.5247 5.5247 6.7230 6.7230 6.8953 6.8953 7.0154 7.0154 7.7874 7.7874 7.9226 7.9226 7.9554 7.9554 13.8568 13.8568 14.8029 14.8029 15.3055 15.3055 15.7855 15.7855 16.0816 16.0816 k = 0.6044 0.1795-0.8777 ( 3171 PWs) bands (ev): -31.2320 -31.2320 -31.2136 -31.2136 -14.1227 -14.1227 -13.8894 -13.8894 -12.2557 -12.2557 -12.1948 -12.1948 -11.1514 -11.1514 -11.0767 -11.0767 -10.8842 -10.8842 -10.7272 -10.7272 -6.2146 -6.2146 -6.1784 -6.1784 3.5972 3.5972 4.3144 4.3144 4.3528 4.3528 5.0538 5.0538 5.2492 5.2492 5.5228 5.5228 6.7281 6.7281 6.8946 6.8946 7.0236 7.0236 7.7697 7.7697 7.9253 7.9253 7.9589 7.9589 13.8625 13.8625 14.8072 14.8072 15.2792 15.2792 15.8090 15.8090 16.0755 16.0755 k = 0.6218 0.1847-0.8676 ( 3175 PWs) bands (ev): -31.2318 -31.2318 -31.2139 -31.2139 -14.1210 -14.1210 -13.8875 -13.8875 -12.2634 -12.2634 -12.1956 -12.1956 -11.1597 -11.1597 -11.0761 -11.0761 -10.8799 -10.8799 -10.7150 -10.7150 -6.2165 -6.2165 -6.1809 -6.1809 3.6113 3.6113 4.3158 4.3158 4.3502 4.3502 5.0410 5.0410 5.2434 5.2434 5.5207 5.5207 6.7345 6.7345 6.8938 6.8938 7.0323 7.0323 7.7508 7.7508 7.9268 7.9268 7.9632 7.9632 13.8692 13.8692 14.8121 14.8121 15.2511 15.2511 15.8345 15.8345 16.0685 16.0685 k = 0.6392 0.1899-0.8575 ( 3176 PWs) bands (ev): -31.2317 -31.2317 -31.2141 -31.2141 -14.1190 -14.1190 -13.8853 -13.8853 -12.2718 -12.2718 -12.1967 -12.1967 -11.1678 -11.1678 -11.0761 -11.0761 -10.8748 -10.8748 -10.7020 -10.7020 -6.2187 -6.2187 -6.1837 -6.1837 3.6272 3.6272 4.3172 4.3172 4.3473 4.3473 5.0269 5.0269 5.2365 5.2365 5.5183 5.5183 6.7423 6.7423 6.8928 6.8928 7.0411 7.0411 7.7311 7.7311 7.9274 7.9274 7.9680 7.9680 13.8767 13.8767 14.8175 14.8175 15.2222 15.2222 15.8613 15.8613 16.0607 16.0607 k = 0.6566 0.1950-0.8475 ( 3177 PWs) bands (ev): -31.2315 -31.2315 -31.2145 -31.2145 -14.1169 -14.1169 -13.8828 -13.8828 -12.2808 -12.2808 -12.1982 -12.1982 -11.1756 -11.1756 -11.0766 -11.0766 -10.8692 -10.8692 -10.6885 -10.6885 -6.2212 -6.2212 -6.1868 -6.1868 3.6449 3.6449 4.3187 4.3187 4.3442 4.3442 5.0118 5.0118 5.2286 5.2286 5.5158 5.5158 6.7514 6.7514 6.8917 6.8917 7.0497 7.0497 7.7108 7.7108 7.9274 7.9274 7.9731 7.9731 13.8848 13.8848 14.8234 14.8234 15.1929 15.1929 15.8883 15.8883 16.0525 16.0525 k = 0.6566 0.1950-0.8475 ( 3177 PWs) bands (ev): -31.2315 -31.2315 -31.2145 -31.2145 -14.1169 -14.1169 -13.8828 -13.8828 -12.2808 -12.2808 -12.1982 -12.1982 -11.1756 -11.1756 -11.0766 -11.0766 -10.8692 -10.8692 -10.6885 -10.6885 -6.2212 -6.2212 -6.1868 -6.1868 3.6449 3.6449 4.3187 4.3187 4.3442 4.3442 5.0118 5.0118 5.2286 5.2286 5.5158 5.5158 6.7514 6.7514 6.8917 6.8917 7.0497 7.0497 7.7108 7.7108 7.9274 7.9274 7.9731 7.9731 13.8848 13.8848 14.8234 14.8234 15.1929 15.1929 15.8883 15.8883 16.0525 16.0525 k = 0.6531 0.1940-0.8266 ( 3181 PWs) bands (ev): -31.2317 -31.2317 -31.2148 -31.2148 -14.1181 -14.1181 -13.8779 -13.8779 -12.2904 -12.2904 -12.1861 -12.1861 -11.1828 -11.1828 -11.0652 -11.0652 -10.8743 -10.8743 -10.6833 -10.6833 -6.2269 -6.2269 -6.1918 -6.1918 3.6561 3.6561 4.3194 4.3194 4.3419 4.3419 5.0075 5.0075 5.2230 5.2230 5.5075 5.5075 6.7639 6.7639 6.8903 6.8903 7.0446 7.0446 7.6902 7.6902 7.9247 7.9247 7.9763 7.9763 13.8921 13.8921 14.8253 14.8253 15.1880 15.1880 15.9251 15.9251 16.0498 16.0498 k = 0.6496 0.1930-0.8058 ( 3177 PWs) bands (ev): -31.2320 -31.2320 -31.2152 -31.2152 -14.1196 -14.1196 -13.8715 -13.8715 -12.3000 -12.3000 -12.1738 -12.1738 -11.1899 -11.1899 -11.0535 -11.0535 -10.8785 -10.8785 -10.6777 -10.6777 -6.2342 -6.2342 -6.1982 -6.1982 3.6694 3.6694 4.3198 4.3198 4.3388 4.3388 5.0037 5.0037 5.2171 5.2171 5.4974 5.4974 6.7752 6.7752 6.8890 6.8890 7.0385 7.0385 7.6680 7.6680 7.9204 7.9204 7.9798 7.9798 13.9017 13.9017 14.8270 14.8270 15.1825 15.1825 15.9554 15.9554 16.0440 16.0441 k = 0.6461 0.1919-0.7849 ( 3180 PWs) bands (ev): -31.2325 -31.2325 -31.2156 -31.2156 -14.1213 -14.1213 -13.8636 -13.8636 -12.3096 -12.3096 -12.1616 -12.1616 -11.1967 -11.1967 -11.0418 -11.0418 -10.8817 -10.8817 -10.6718 -10.6718 -6.2431 -6.2431 -6.2059 -6.2059 3.6847 3.6847 4.3197 4.3197 4.3352 4.3352 5.0005 5.0005 5.2107 5.2107 5.4855 5.4855 6.7848 6.7848 6.8879 6.8879 7.0315 7.0315 7.6445 7.6445 7.9145 7.9145 7.9837 7.9837 13.9133 13.9133 14.8285 14.8285 15.1762 15.1762 15.9728 15.9728 16.0409 16.0409 k = 0.6426 0.1909-0.7641 ( 3174 PWs) bands (ev): -31.2330 -31.2330 -31.2160 -31.2160 -14.1232 -14.1232 -13.8542 -13.8542 -12.3189 -12.3189 -12.1494 -12.1494 -11.2032 -11.2032 -11.0301 -11.0301 -10.8838 -10.8838 -10.6656 -10.6656 -6.2535 -6.2535 -6.2148 -6.2148 3.7019 3.7019 4.3188 4.3188 4.3314 4.3314 4.9978 4.9978 5.2041 5.2041 5.4721 5.4721 6.7927 6.7927 6.8868 6.8868 7.0234 7.0234 7.6199 7.6199 7.9070 7.9070 7.9881 7.9881 13.9271 13.9271 14.8297 14.8297 15.1690 15.1690 15.9761 15.9761 16.0437 16.0437 k = 0.6392 0.1899-0.7432 ( 3176 PWs) bands (ev): -31.2337 -31.2337 -31.2164 -31.2164 -14.1252 -14.1252 -13.8436 -13.8436 -12.3281 -12.3281 -12.1373 -12.1373 -11.2094 -11.2094 -11.0186 -11.0186 -10.8848 -10.8848 -10.6590 -10.6590 -6.2655 -6.2655 -6.2251 -6.2251 3.7207 3.7207 4.3168 4.3168 4.3279 4.3279 4.9954 4.9954 5.1973 5.1973 5.4570 5.4570 6.7984 6.7984 6.8859 6.8859 7.0143 7.0143 7.5946 7.5946 7.8981 7.8981 7.9929 7.9929 13.9428 13.9428 14.8305 14.8305 15.1610 15.1610 15.9695 15.9695 16.0528 16.0528 k = 0.6357 0.1888-0.7224 ( 3178 PWs) bands (ev): -31.2346 -31.2346 -31.2169 -31.2169 -14.1272 -14.1272 -13.8318 -13.8318 -12.3371 -12.3371 -12.1255 -12.1255 -11.2153 -11.2153 -11.0076 -11.0076 -10.8845 -10.8845 -10.6521 -10.6521 -6.2789 -6.2789 -6.2365 -6.2365 3.7409 3.7409 4.3134 4.3134 4.3253 4.3253 4.9933 4.9933 5.1906 5.1906 5.4405 5.4405 6.8019 6.8019 6.8851 6.8851 7.0042 7.0042 7.5691 7.5691 7.8879 7.8879 7.9981 7.9981 13.9603 13.9603 14.8310 14.8310 15.1521 15.1521 15.9578 15.9578 16.0668 16.0668 k = 0.6322 0.1878-0.7015 ( 3178 PWs) bands (ev): -31.2355 -31.2355 -31.2174 -31.2174 -14.1293 -14.1293 -13.8189 -13.8189 -12.3458 -12.3458 -12.1139 -12.1139 -11.2207 -11.2207 -10.9971 -10.9971 -10.8828 -10.8828 -10.6449 -10.6449 -6.2936 -6.2936 -6.2491 -6.2491 3.7624 3.7624 4.3089 4.3089 4.3233 4.3233 4.9911 4.9911 5.1841 5.1841 5.4225 5.4225 6.8029 6.8029 6.8844 6.8844 6.9932 6.9932 7.5438 7.5438 7.8764 7.8764 8.0038 8.0038 13.9796 13.9796 14.8309 14.8309 15.1425 15.1425 15.9431 15.9431 16.0848 16.0848 k = 0.6287 0.1868-0.6807 ( 3174 PWs) bands (ev): -31.2365 -31.2365 -31.2179 -31.2179 -14.1312 -14.1312 -13.8049 -13.8049 -12.3542 -12.3542 -12.1026 -12.1026 -11.2257 -11.2257 -10.9872 -10.9872 -10.8797 -10.8797 -10.6374 -10.6374 -6.3097 -6.3097 -6.2628 -6.2628 3.7849 3.7849 4.3042 4.3042 4.3215 4.3215 4.9885 4.9885 5.1783 5.1783 5.4033 5.4033 6.8010 6.8010 6.8837 6.8837 6.9814 6.9814 7.5191 7.5191 7.8639 7.8639 8.0098 8.0098 14.0006 14.0006 14.8304 14.8304 15.1322 15.1322 15.9268 15.9268 16.1062 16.1062 k = 0.6253 0.1857-0.6598 ( 3172 PWs) bands (ev): -31.2376 -31.2376 -31.2184 -31.2184 -14.1331 -14.1331 -13.7901 -13.7901 -12.3623 -12.3623 -12.0915 -12.0915 -11.2301 -11.2301 -10.9782 -10.9782 -10.8751 -10.8751 -10.6297 -10.6297 -6.3270 -6.3270 -6.2777 -6.2777 3.8079 3.8079 4.2997 4.2997 4.3196 4.3196 4.9852 4.9852 5.1735 5.1735 5.3828 5.3828 6.7961 6.7961 6.8831 6.8831 6.9688 6.9688 7.4956 7.4956 7.8503 7.8503 8.0161 8.0161 14.0230 14.0230 14.8293 14.8293 15.1212 15.1212 15.9092 15.9092 16.1306 16.1306 k = 0.6218 0.1847-0.6390 ( 3174 PWs) bands (ev): -31.2388 -31.2388 -31.2190 -31.2190 -14.1348 -14.1348 -13.7743 -13.7743 -12.3701 -12.3701 -12.0809 -12.0809 -11.2341 -11.2341 -10.9700 -10.9700 -10.8691 -10.8691 -10.6218 -10.6218 -6.3454 -6.3454 -6.2935 -6.2935 3.8312 3.8312 4.2959 4.2959 4.3176 4.3176 4.9806 4.9806 5.1700 5.1700 5.3611 5.3611 6.7880 6.7880 6.8824 6.8824 6.9557 6.9557 7.4737 7.4737 7.8358 7.8358 8.0225 8.0225 14.0467 14.0467 14.8277 14.8277 15.1098 15.1098 15.8908 15.8908 16.1576 16.1576 k = 0.6183 0.1837-0.6181 ( 3172 PWs) bands (ev): -31.2400 -31.2400 -31.2196 -31.2196 -14.1364 -14.1364 -13.7579 -13.7579 -12.3776 -12.3776 -12.0706 -12.0706 -11.2375 -11.2375 -10.9626 -10.9626 -10.8618 -10.8618 -10.6136 -10.6136 -6.3648 -6.3648 -6.3103 -6.3103 3.8542 3.8542 4.2933 4.2933 4.3153 4.3153 4.9744 4.9744 5.1683 5.1683 5.3385 5.3385 6.7766 6.7766 6.8815 6.8815 6.9423 6.9423 7.4538 7.4538 7.8206 7.8206 8.0291 8.0291 14.0716 14.0716 14.8254 14.8254 15.0979 15.0979 15.8716 15.8716 16.1866 16.1866 k = 0.6148 0.1826-0.5973 ( 3185 PWs) bands (ev): -31.2413 -31.2413 -31.2203 -31.2203 -14.1379 -14.1379 -13.7407 -13.7407 -12.3847 -12.3847 -12.0607 -12.0607 -11.2404 -11.2404 -10.9559 -10.9559 -10.8535 -10.8535 -10.6053 -10.6053 -6.3853 -6.3853 -6.3280 -6.3280 3.8764 3.8764 4.2922 4.2922 4.3128 4.3128 4.9664 4.9664 5.1684 5.1684 5.3149 5.3149 6.7619 6.7619 6.8803 6.8803 6.9289 6.9289 7.4360 7.4360 7.8046 7.8046 8.0357 8.0357 14.0976 14.0976 14.8224 14.8224 15.0858 15.0858 15.8520 15.8520 16.2172 16.2172 k = 0.6113 0.1816-0.5764 ( 3181 PWs) bands (ev): -31.2427 -31.2427 -31.2209 -31.2209 -14.1391 -14.1391 -13.7229 -13.7229 -12.3913 -12.3913 -12.0512 -12.0512 -11.2426 -11.2426 -10.9496 -10.9496 -10.8442 -10.8442 -10.5968 -10.5968 -6.4066 -6.4066 -6.3464 -6.3464 3.8974 3.8974 4.2931 4.2931 4.3101 4.3101 4.9565 4.9565 5.1705 5.1705 5.2906 5.2906 6.7440 6.7440 6.8784 6.8784 6.9162 6.9162 7.4206 7.4206 7.7881 7.7881 8.0423 8.0423 14.1246 14.1246 14.8188 14.8188 15.0733 15.0733 15.8321 15.8321 16.2490 16.2490 k = 0.6079 0.1806-0.5556 ( 3181 PWs) bands (ev): -31.2441 -31.2441 -31.2216 -31.2216 -14.1402 -14.1402 -13.7046 -13.7046 -12.3976 -12.3976 -12.0422 -12.0422 -11.2442 -11.2442 -10.9436 -10.9436 -10.8344 -10.8344 -10.5882 -10.5882 -6.4287 -6.4287 -6.3656 -6.3656 3.9167 3.9167 4.2957 4.2957 4.3078 4.3078 4.9449 4.9449 5.1741 5.1741 5.2658 5.2658 6.7234 6.7234 6.8745 6.8745 6.9053 6.9053 7.4076 7.4076 7.7710 7.7710 8.0487 8.0487 14.1523 14.1523 14.8146 14.8146 15.0607 15.0607 15.8118 15.8118 16.2812 16.2812 k = 0.6044 0.1795-0.5347 ( 3173 PWs) bands (ev): -31.2456 -31.2456 -31.2224 -31.2224 -14.1411 -14.1411 -13.6859 -13.6859 -12.4035 -12.4035 -12.0337 -12.0337 -11.2452 -11.2452 -10.9379 -10.9379 -10.8242 -10.8242 -10.5795 -10.5795 -6.4515 -6.4515 -6.3854 -6.3854 3.9337 3.9337 4.2980 4.2980 4.3082 4.3082 4.9320 4.9320 5.1787 5.1787 5.2408 5.2408 6.7005 6.7005 6.8670 6.8670 6.8983 6.8983 7.3969 7.3969 7.7535 7.7535 8.0549 8.0549 14.1806 14.1806 14.8097 14.8097 15.0480 15.0480 15.7915 15.7915 16.3133 16.3133 k = 0.6009 0.1785-0.5139 ( 3169 PWs) bands (ev): -31.2471 -31.2471 -31.2231 -31.2231 -14.1418 -14.1418 -13.6667 -13.6667 -12.4089 -12.4089 -12.0257 -12.0257 -11.2455 -11.2455 -10.9321 -10.9321 -10.8139 -10.8139 -10.5707 -10.5707 -6.4749 -6.4749 -6.4057 -6.4057 3.9483 3.9483 4.2962 4.2962 4.3149 4.3149 4.9181 4.9181 5.1822 5.1822 5.2173 5.2173 6.6759 6.6759 6.8557 6.8557 6.8952 6.8952 7.3882 7.3882 7.7356 7.7356 8.0608 8.0608 14.2094 14.2094 14.8041 14.8041 15.0350 15.0350 15.7711 15.7711 16.3447 16.3447 k = 0.5974 0.1775-0.4930 ( 3164 PWs) bands (ev): -31.2486 -31.2486 -31.2239 -31.2239 -14.1423 -14.1423 -13.6473 -13.6473 -12.4138 -12.4138 -12.0182 -12.0182 -11.2451 -11.2451 -10.9264 -10.9264 -10.8036 -10.8036 -10.5619 -10.5619 -6.4988 -6.4988 -6.4264 -6.4264 3.9603 3.9603 4.2925 4.2925 4.3257 4.3257 4.9039 4.9039 5.1755 5.1755 5.2042 5.2042 6.6505 6.6505 6.8424 6.8424 6.8946 6.8946 7.3814 7.3814 7.7175 7.7175 8.0663 8.0663 14.2384 14.2384 14.7979 14.7979 15.0220 15.0220 15.7507 15.7507 16.3747 16.3747 k = 0.5939 0.1764-0.4722 ( 3164 PWs) bands (ev): -31.2501 -31.2501 -31.2247 -31.2247 -14.1427 -14.1427 -13.6276 -13.6276 -12.4183 -12.4183 -12.0112 -12.0112 -11.2441 -11.2441 -10.9205 -10.9205 -10.7935 -10.7935 -10.5530 -10.5530 -6.5231 -6.5231 -6.4475 -6.4475 3.9699 3.9699 4.2881 4.2881 4.3387 4.3387 4.8900 4.8900 5.1535 5.1535 5.2059 5.2059 6.6251 6.6251 6.8281 6.8281 6.8954 6.8954 7.3760 7.3760 7.6991 7.6991 8.0712 8.0712 14.2677 14.2677 14.7912 14.7912 15.0089 15.0089 15.7304 15.7304 16.4023 16.4023 k = 0.5905 0.1754-0.4513 ( 3167 PWs) bands (ev): -31.2517 -31.2517 -31.2256 -31.2256 -14.1429 -14.1429 -13.6078 -13.6078 -12.4222 -12.4222 -12.0048 -12.0048 -11.2424 -11.2424 -10.9144 -10.9144 -10.7837 -10.7837 -10.5442 -10.5442 -6.5477 -6.5477 -6.4689 -6.4689 3.9774 3.9774 4.2833 4.2833 4.3529 4.3529 4.8770 4.8770 5.1274 5.1274 5.2108 5.2108 6.6003 6.6003 6.8136 6.8136 6.8972 6.8972 7.3719 7.3719 7.6805 7.6805 8.0756 8.0756 14.2969 14.2969 14.7839 14.7839 14.9956 14.9956 15.7102 15.7102 16.4268 16.4268 k = 0.5870 0.1744-0.4305 ( 3165 PWs) bands (ev): -31.2533 -31.2533 -31.2264 -31.2264 -14.1429 -14.1429 -13.5880 -13.5880 -12.4256 -12.4256 -11.9989 -11.9989 -11.2401 -11.2401 -10.9082 -10.9082 -10.7742 -10.7742 -10.5355 -10.5355 -6.5725 -6.5725 -6.4904 -6.4904 3.9832 3.9832 4.2781 4.2781 4.3670 4.3670 4.8658 4.8658 5.1004 5.1004 5.2152 5.2152 6.5771 6.5771 6.7992 6.7992 6.8997 6.8997 7.3687 7.3687 7.6617 7.6617 8.0794 8.0794 14.3259 14.3259 14.7760 14.7760 14.9823 14.9823 15.6903 15.6903 16.4468 16.4468 k = 0.5835 0.1733-0.4096 ( 3163 PWs) bands (ev): -31.2548 -31.2548 -31.2272 -31.2272 -14.1429 -14.1429 -13.5681 -13.5681 -12.4285 -12.4285 -11.9937 -11.9937 -11.2372 -11.2372 -10.9017 -10.9017 -10.7653 -10.7653 -10.5269 -10.5269 -6.5975 -6.5975 -6.5120 -6.5120 3.9879 3.9879 4.2726 4.2726 4.3800 4.3800 4.8572 4.8572 5.0731 5.0731 5.2181 5.2181 6.5562 6.5562 6.7852 6.7852 6.9030 6.9030 7.3660 7.3660 7.6429 7.6429 8.0823 8.0823 14.3546 14.3546 14.7677 14.7677 14.9688 14.9688 15.6708 15.6708 16.4603 16.4603 k = 0.5800 0.1723-0.3888 ( 3159 PWs) bands (ev): -31.2564 -31.2564 -31.2281 -31.2281 -14.1427 -14.1427 -13.5484 -13.5484 -12.4308 -12.4308 -11.9890 -11.9890 -11.2337 -11.2337 -10.8950 -10.8950 -10.7568 -10.7568 -10.5184 -10.5184 -6.6224 -6.6224 -6.5334 -6.5334 3.9919 3.9919 4.2669 4.2669 4.3906 4.3906 4.8520 4.8520 5.0458 5.0458 5.2186 5.2186 6.5383 6.5383 6.7719 6.7719 6.9069 6.9069 7.3638 7.3638 7.6240 7.6240 8.0844 8.0844 14.3827 14.3827 14.7591 14.7591 14.9553 14.9553 15.6515 15.6515 16.4630 16.4630 k = 0.5765 0.1713-0.3679 ( 3169 PWs) bands (ev): -31.2579 -31.2579 -31.2290 -31.2290 -14.1424 -14.1424 -13.5289 -13.5289 -12.4326 -12.4326 -11.9849 -11.9849 -11.2297 -11.2297 -10.8882 -10.8882 -10.7490 -10.7490 -10.5102 -10.5102 -6.6472 -6.6472 -6.5548 -6.5548 3.9956 3.9956 4.2610 4.2610 4.3978 4.3978 4.8509 4.8509 5.0188 5.0188 5.2162 5.2162 6.5239 6.5239 6.7594 6.7594 6.9116 6.9116 7.3617 7.3617 7.6050 7.6050 8.0855 8.0855 14.4101 14.4101 14.7500 14.7500 14.9417 14.9417 15.6327 15.6327 16.4439 16.4439 k = 0.5731 0.1702-0.3471 ( 3171 PWs) bands (ev): -31.2594 -31.2594 -31.2298 -31.2298 -14.1421 -14.1421 -13.5096 -13.5096 -12.4337 -12.4337 -11.9814 -11.9814 -11.2251 -11.2251 -10.8811 -10.8811 -10.7417 -10.7417 -10.5022 -10.5022 -6.6718 -6.6718 -6.5759 -6.5759 3.9993 3.9993 4.2549 4.2549 4.4009 4.4009 4.8543 4.8543 4.9920 4.9920 5.2106 5.2106 6.5134 6.5134 6.7482 6.7482 6.9170 6.9170 7.3595 7.3595 7.5860 7.5860 8.0856 8.0856 14.4367 14.4367 14.7407 14.7407 14.9281 14.9281 15.6144 15.6144 16.3896 16.3896 k = 0.5696 0.1692-0.3262 ( 3169 PWs) bands (ev): -31.2609 -31.2609 -31.2307 -31.2307 -14.1416 -14.1416 -13.4907 -13.4907 -12.4342 -12.4342 -11.9785 -11.9785 -11.2201 -11.2201 -10.8738 -10.8738 -10.7351 -10.7351 -10.4945 -10.4945 -6.6961 -6.6961 -6.5967 -6.5967 4.0034 4.0034 4.2488 4.2488 4.3997 4.3997 4.8620 4.8620 4.9659 4.9659 5.2013 5.2013 6.5071 6.5071 6.7386 6.7386 6.9231 6.9231 7.3572 7.3572 7.5670 7.5670 8.0845 8.0845 14.4621 14.4621 14.7312 14.7312 14.9145 14.9145 15.5966 15.5966 16.3124 16.3124 k = 0.5661 0.1682-0.3054 ( 3158 PWs) bands (ev): -31.2624 -31.2624 -31.2315 -31.2315 -14.1411 -14.1411 -13.4722 -13.4722 -12.4342 -12.4342 -11.9762 -11.9762 -11.2146 -11.2146 -10.8663 -10.8663 -10.7291 -10.7291 -10.4871 -10.4871 -6.7199 -6.7199 -6.6171 -6.6171 4.0081 4.0081 4.2425 4.2425 4.3944 4.3944 4.8733 4.8733 4.9408 4.9408 5.1884 5.1884 6.5047 6.5047 6.7310 6.7310 6.9299 6.9299 7.3545 7.3545 7.5480 7.5480 8.0822 8.0822 14.4863 14.4863 14.7215 14.7215 14.9010 14.9010 15.5793 15.5793 16.2288 16.2288 k = 0.5626 0.1671-0.2845 ( 3158 PWs) bands (ev): -31.2638 -31.2638 -31.2324 -31.2324 -14.1405 -14.1405 -13.4543 -13.4543 -12.4335 -12.4335 -11.9744 -11.9744 -11.2088 -11.2088 -10.8587 -10.8587 -10.7237 -10.7237 -10.4802 -10.4802 -6.7433 -6.7433 -6.6369 -6.6369 4.0136 4.0136 4.2362 4.2362 4.3853 4.3853 4.8852 4.8852 4.9191 4.9191 5.1718 5.1718 6.5057 6.5057 6.7260 6.7260 6.9374 6.9374 7.3514 7.3514 7.5290 7.5290 8.0785 8.0785 14.5089 14.5089 14.7118 14.7118 14.8877 14.8877 15.5627 15.5627 16.1455 16.1455 k = 0.5591 0.1661-0.2637 ( 3156 PWs) bands (ev): -31.2652 -31.2652 -31.2332 -31.2332 -14.1399 -14.1399 -13.4370 -13.4370 -12.4323 -12.4323 -11.9732 -11.9732 -11.2026 -11.2026 -10.8510 -10.8510 -10.7189 -10.7189 -10.4736 -10.4736 -6.7660 -6.7660 -6.6562 -6.6562 4.0201 4.0201 4.2299 4.2299 4.3734 4.3734 4.8815 4.8815 4.9160 4.9160 5.1519 5.1519 6.5095 6.5095 6.7245 6.7245 6.9457 6.9457 7.3478 7.3478 7.5100 7.5100 8.0735 8.0735 14.5299 14.5299 14.7021 14.7021 14.8748 14.8748 15.5467 15.5467 16.0648 16.0648 k = 0.5557 0.1651-0.2428 ( 3154 PWs) bands (ev): -31.2665 -31.2665 -31.2340 -31.2340 -14.1393 -14.1393 -13.4203 -13.4203 -12.4305 -12.4305 -11.9726 -11.9726 -11.1963 -11.1963 -10.8433 -10.8433 -10.7148 -10.7148 -10.4675 -10.4675 -6.7880 -6.7880 -6.6748 -6.6748 4.0276 4.0276 4.2236 4.2236 4.3592 4.3592 4.8612 4.8612 4.9316 4.9316 5.1295 5.1295 6.5148 6.5148 6.7272 6.7272 6.9547 6.9547 7.3437 7.3437 7.4910 7.4910 8.0670 8.0670 14.5488 14.5488 14.6926 14.6926 14.8623 14.8623 15.5314 15.5314 15.9879 15.9879 k = 0.5522 0.1640-0.2220 ( 3155 PWs) bands (ev): -31.2678 -31.2678 -31.2347 -31.2347 -14.1386 -14.1386 -13.4044 -13.4044 -12.4282 -12.4282 -11.9725 -11.9725 -11.1898 -11.1898 -10.8355 -10.8355 -10.7112 -10.7112 -10.4619 -10.4619 -6.8093 -6.8093 -6.6926 -6.6926 4.0362 4.0362 4.2175 4.2175 4.3434 4.3434 4.8391 4.8391 4.9492 4.9492 5.1057 5.1057 6.5204 6.5204 6.7350 6.7350 6.9644 6.9644 7.3390 7.3390 7.4721 7.4721 8.0591 8.0591 14.5657 14.5657 14.6832 14.6832 14.8504 14.8504 15.5169 15.5169 15.9152 15.9152 k = 0.5487 0.1630-0.2011 ( 3153 PWs) bands (ev): -31.2690 -31.2690 -31.2355 -31.2355 -14.1379 -14.1379 -13.3893 -13.3893 -12.4253 -12.4253 -11.9728 -11.9728 -11.1832 -11.1832 -10.8277 -10.8277 -10.7081 -10.7081 -10.4568 -10.4568 -6.8296 -6.8296 -6.7096 -6.7096 4.0461 4.0461 4.2114 4.2114 4.3268 4.3268 4.8174 4.8174 4.9639 4.9639 5.0836 5.0836 6.5253 6.5253 6.7485 6.7485 6.9748 6.9748 7.3337 7.3337 7.4533 7.4533 8.0496 8.0496 14.5801 14.5801 14.6741 14.6741 14.8394 14.8394 15.5031 15.5031 15.8472 15.8472 k = 0.5452 0.1620-0.1803 ( 3162 PWs) bands (ev): -31.2701 -31.2701 -31.2362 -31.2362 -14.1373 -14.1373 -13.3751 -13.3751 -12.4221 -12.4221 -11.9736 -11.9736 -11.1765 -11.1765 -10.8201 -10.8201 -10.7056 -10.7056 -10.4522 -10.4522 -6.8489 -6.8489 -6.7257 -6.7257 4.0572 4.0572 4.2056 4.2056 4.3098 4.3098 4.7967 4.7967 4.9691 4.9691 5.0690 5.0690 6.5288 6.5288 6.7677 6.7677 6.9859 6.9859 7.3279 7.3279 7.4345 7.4345 8.0387 8.0387 14.5919 14.5919 14.6654 14.6654 14.8293 14.8293 15.4901 15.4901 15.7840 15.7840 k = 0.5418 0.1609-0.1594 ( 3160 PWs) bands (ev): -31.2712 -31.2712 -31.2368 -31.2368 -14.1366 -14.1366 -13.3618 -13.3618 -12.4184 -12.4184 -11.9748 -11.9748 -11.1700 -11.1700 -10.8125 -10.8125 -10.7036 -10.7036 -10.4481 -10.4481 -6.8672 -6.8672 -6.7408 -6.7408 4.0695 4.0695 4.1999 4.1999 4.2929 4.2929 4.7769 4.7769 4.9581 4.9581 5.0687 5.0687 6.5307 6.5307 6.7922 6.7922 6.9977 6.9977 7.3216 7.3216 7.4157 7.4157 8.0263 8.0263 14.6009 14.6009 14.6573 14.6573 14.8205 14.8205 15.4778 15.4778 15.7258 15.7258 k = 0.5383 0.1599-0.1386 ( 3160 PWs) bands (ev): -31.2722 -31.2722 -31.2375 -31.2375 -14.1360 -14.1360 -13.3494 -13.3494 -12.4144 -12.4144 -11.9763 -11.9763 -11.1635 -11.1635 -10.8051 -10.8051 -10.7020 -10.7020 -10.4446 -10.4446 -6.8843 -6.8843 -6.7550 -6.7550 4.0828 4.0828 4.1946 4.1946 4.2764 4.2764 4.7584 4.7584 4.9337 4.9337 5.0800 5.0800 6.5313 6.5313 6.8211 6.8211 7.0102 7.0102 7.3149 7.3149 7.3971 7.3971 8.0125 8.0125 14.6071 14.6071 14.6498 14.6498 14.8129 14.8129 15.4664 15.4664 15.6728 15.6728 k = 0.5348 0.1589-0.1177 ( 3161 PWs) bands (ev): -31.2732 -31.2732 -31.2381 -31.2381 -14.1354 -14.1354 -13.3381 -13.3381 -12.4102 -12.4102 -11.9781 -11.9781 -11.1573 -11.1573 -10.7981 -10.7981 -10.7008 -10.7008 -10.4415 -10.4415 -6.9002 -6.9002 -6.7680 -6.7680 4.0972 4.0972 4.1895 4.1895 4.2608 4.2608 4.7412 4.7412 4.9030 4.9030 5.0961 5.0961 6.5308 6.5308 6.8534 6.8534 7.0232 7.0232 7.3077 7.3077 7.3787 7.3787 7.9976 7.9976 14.6103 14.6103 14.6434 14.6434 14.8066 14.8066 15.4558 15.4558 15.6249 15.6249 k = 0.5313 0.1578-0.0969 ( 3159 PWs) bands (ev): -31.2740 -31.2740 -31.2386 -31.2386 -14.1348 -14.1348 -13.3278 -13.3278 -12.4059 -12.4059 -11.9801 -11.9801 -11.1514 -11.1514 -10.7913 -10.7913 -10.6999 -10.6999 -10.4389 -10.4389 -6.9149 -6.9149 -6.7800 -6.7800 4.1122 4.1122 4.1850 4.1850 4.2463 4.2463 4.7253 4.7253 4.8696 4.8696 5.1135 5.1135 6.5297 6.5297 6.8879 6.8879 7.0369 7.0369 7.3000 7.3000 7.3604 7.3604 7.9817 7.9817 14.6107 14.6107 14.6379 14.6379 14.8015 14.8015 15.4460 15.4460 15.5822 15.5822 k = 0.5278 0.1568-0.0760 ( 3157 PWs) bands (ev): -31.2748 -31.2748 -31.2391 -31.2391 -14.1343 -14.1343 -13.3185 -13.3185 -12.4016 -12.4016 -11.9822 -11.9822 -11.1459 -11.1459 -10.7850 -10.7850 -10.6993 -10.6993 -10.4367 -10.4367 -6.9281 -6.9281 -6.7908 -6.7908 4.1274 4.1274 4.1811 4.1811 4.2331 4.2331 4.7108 4.7108 4.8356 4.8356 5.1305 5.1305 6.5282 6.5282 6.9235 6.9235 7.0511 7.0511 7.2920 7.2920 7.3423 7.3423 7.9651 7.9651 14.6090 14.6090 14.6334 14.6334 14.7976 14.7976 15.4368 15.4368 15.5448 15.5448 k = 0.5244 0.1558-0.0552 ( 3153 PWs) bands (ev): -31.2755 -31.2755 -31.2395 -31.2395 -14.1338 -14.1338 -13.3103 -13.3103 -12.3974 -12.3974 -11.9844 -11.9844 -11.1408 -11.1408 -10.7791 -10.7791 -10.6989 -10.6989 -10.4349 -10.4349 -6.9399 -6.9399 -6.8004 -6.8004 4.1416 4.1416 4.1788 4.1788 4.2217 4.2217 4.6978 4.6978 4.8021 4.8021 5.1464 5.1464 6.5266 6.5266 6.9593 6.9593 7.0660 7.0660 7.2834 7.2834 7.3247 7.3247 7.9482 7.9482 14.6058 14.6058 14.6296 14.6296 14.7945 14.7945 15.4283 15.4283 15.5127 15.5127 k = 0.5209 0.1547-0.0343 ( 3148 PWs) bands (ev): -31.2761 -31.2761 -31.2399 -31.2399 -14.1334 -14.1334 -13.3032 -13.3032 -12.3934 -12.3934 -11.9865 -11.9865 -11.1362 -11.1362 -10.7738 -10.7738 -10.6987 -10.6987 -10.4335 -10.4335 -6.9503 -6.9503 -6.8088 -6.8088 4.1518 4.1518 4.1804 4.1804 4.2124 4.2124 4.6862 4.6862 4.7701 4.7701 5.1608 5.1608 6.5250 6.5250 6.9941 6.9941 7.0815 7.0815 7.2743 7.2743 7.3076 7.3076 7.9315 7.9315 14.6020 14.6020 14.6260 14.6260 14.7920 14.7920 15.4203 15.4203 15.4859 15.4859 k = 0.5174 0.1537-0.0135 ( 3144 PWs) bands (ev): -31.2766 -31.2766 -31.2402 -31.2402 -14.1330 -14.1330 -13.2972 -13.2972 -12.3898 -12.3898 -11.9885 -11.9885 -11.1323 -11.1323 -10.7692 -10.7692 -10.6987 -10.6987 -10.4323 -10.4323 -6.9592 -6.9592 -6.8160 -6.8160 4.1551 4.1551 4.1872 4.1872 4.2064 4.2064 4.6760 4.6760 4.7405 4.7405 5.1733 5.1733 6.5235 6.5235 7.0268 7.0268 7.0977 7.0977 7.2643 7.2643 7.2914 7.2914 7.9156 7.9156 14.5983 14.5983 14.6228 14.6228 14.7901 14.7901 15.4126 15.4126 15.4644 15.4644 k = 0.5139 0.1527 0.0074 ( 3140 PWs) bands (ev): -31.2771 -31.2771 -31.2405 -31.2405 -14.1327 -14.1327 -13.2923 -13.2923 -12.3866 -12.3866 -11.9902 -11.9902 -11.1289 -11.1289 -10.7653 -10.7653 -10.6987 -10.6987 -10.4315 -10.4315 -6.9665 -6.9665 -6.8219 -6.8219 4.1540 4.1540 4.1907 4.1907 4.2093 4.2093 4.6671 4.6671 4.7145 4.7145 5.1838 5.1838 6.5223 6.5223 7.0561 7.0561 7.1148 7.1148 7.2532 7.2532 7.2765 7.2765 7.9010 7.9010 14.5949 14.5949 14.6199 14.6199 14.7886 14.7886 15.4051 15.4051 15.4484 15.4484 k = 0.5104 0.1516 0.0282 ( 3129 PWs) bands (ev): -31.2774 -31.2774 -31.2407 -31.2407 -14.1325 -14.1325 -13.2884 -13.2884 -12.3840 -12.3840 -11.9917 -11.9917 -11.1263 -11.1263 -10.7621 -10.7621 -10.6988 -10.6988 -10.4309 -10.4309 -6.9722 -6.9722 -6.8264 -6.8264 4.1518 4.1518 4.1884 4.1884 4.2193 4.2193 4.6591 4.6591 4.6935 4.6935 5.1921 5.1921 6.5213 6.5213 7.0807 7.0807 7.1329 7.1329 7.2406 7.2406 7.2636 7.2636 7.8887 7.8887 14.5921 14.5921 14.6174 14.6174 14.7874 14.7874 15.3980 15.3980 15.4373 15.4373 k = 0.5070 0.1506 0.0491 ( 3127 PWs) bands (ev): -31.2776 -31.2776 -31.2409 -31.2409 -14.1323 -14.1323 -13.2857 -13.2857 -12.3821 -12.3821 -11.9928 -11.9928 -11.1243 -11.1243 -10.7598 -10.7598 -10.6989 -10.6989 -10.4305 -10.4305 -6.9763 -6.9763 -6.8297 -6.8297 4.1498 4.1498 4.1858 4.1858 4.2289 4.2289 4.6518 4.6518 4.6790 4.6790 5.1981 5.1981 6.5206 6.5206 7.0993 7.0993 7.1514 7.1514 7.2271 7.2271 7.2530 7.2530 7.8792 7.8792 14.5900 14.5900 14.6156 14.6156 14.7865 14.7865 15.3921 15.3921 15.4303 15.4303 k = 0.5035 0.1496 0.0699 ( 3124 PWs) bands (ev): -31.2778 -31.2778 -31.2410 -31.2410 -14.1322 -14.1322 -13.2840 -13.2840 -12.3809 -12.3809 -11.9934 -11.9934 -11.1232 -11.1232 -10.7584 -10.7584 -10.6989 -10.6989 -10.4303 -10.4303 -6.9787 -6.9787 -6.8317 -6.8317 4.1484 4.1484 4.1842 4.1842 4.2354 4.2354 4.6459 4.6459 4.6711 4.6711 5.2018 5.2018 6.5202 6.5202 7.1111 7.1111 7.1686 7.1686 7.2137 7.2137 7.2457 7.2457 7.8732 7.8732 14.5887 14.5887 14.6144 14.6144 14.7860 14.7860 15.3882 15.3882 15.4265 15.4265 k = 0.5000 0.1485 0.0908 ( 3116 PWs) bands (ev): -31.2778 -31.2778 -31.2410 -31.2410 -14.1322 -14.1322 -13.2835 -13.2835 -12.3805 -12.3805 -11.9937 -11.9937 -11.1228 -11.1228 -10.7580 -10.7580 -10.6990 -10.6990 -10.4302 -10.4302 -6.9796 -6.9796 -6.8324 -6.8324 4.1479 4.1479 4.1837 4.1837 4.2377 4.2377 4.6436 4.6436 4.6687 4.6687 5.2030 5.2030 6.5201 6.5201 7.1151 7.1151 7.1778 7.1778 7.2059 7.2059 7.2430 7.2430 7.8712 7.8712 14.5882 14.5882 14.6140 14.6140 14.7858 14.7858 15.3868 15.3868 15.4253 15.4253 k = 0.5000-0.7674-0.4691 ( 3172 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0774 -14.0774 -13.8649 -13.8649 -12.3421 -12.3421 -12.3205 -12.3205 -11.2171 -11.2171 -11.1456 -11.1456 -10.7481 -10.7481 -10.5504 -10.5504 -6.2295 -6.2295 -6.2059 -6.2059 3.8938 3.8938 4.2964 4.2964 4.3325 4.3325 4.7951 4.7951 5.1246 5.1246 5.5300 5.5300 6.8280 6.8280 6.8926 6.8926 7.1488 7.1488 7.5984 7.5984 7.9177 7.9177 8.0079 8.0079 13.9674 13.9674 14.8897 14.8897 14.9209 14.9209 15.7551 15.7551 15.9152 15.9152 k = 0.5184-0.7586-0.4638 ( 3178 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0776 -14.0776 -13.8651 -13.8651 -12.3420 -12.3420 -12.3197 -12.3197 -11.2170 -11.2170 -11.1453 -11.1453 -10.7487 -10.7487 -10.5510 -10.5510 -6.2294 -6.2294 -6.2058 -6.2058 3.8922 3.8922 4.2966 4.2966 4.3325 4.3325 4.7965 4.7965 5.1251 5.1251 5.5300 5.5300 6.8275 6.8275 6.8925 6.8925 7.1485 7.1485 7.5988 7.5988 7.9178 7.9178 8.0078 8.0078 13.9670 13.9670 14.8898 14.8898 14.9212 14.9212 15.7562 15.7562 15.9159 15.9159 k = 0.5368-0.7499-0.4584 ( 3178 PWs) bands (ev): -31.2288 -31.2288 -31.2165 -31.2165 -14.0782 -14.0782 -13.8654 -13.8654 -12.3417 -12.3417 -12.3173 -12.3173 -11.2166 -11.2166 -11.1446 -11.1446 -10.7503 -10.7503 -10.5528 -10.5528 -6.2293 -6.2293 -6.2055 -6.2055 3.8873 3.8873 4.2975 4.2975 4.3324 4.3324 4.8005 4.8005 5.1268 5.1268 5.5297 5.5297 6.8260 6.8260 6.8925 6.8925 7.1477 7.1477 7.6000 7.6000 7.9180 7.9180 8.0074 8.0074 13.9659 13.9659 14.8900 14.8900 14.9226 14.9226 15.7597 15.7597 15.9180 15.9180 k = 0.5553-0.7412-0.4531 ( 3178 PWs) bands (ev): -31.2289 -31.2289 -31.2165 -31.2165 -14.0792 -14.0792 -13.8660 -13.8660 -12.3408 -12.3408 -12.3134 -12.3134 -11.2159 -11.2159 -11.1432 -11.1432 -10.7531 -10.7531 -10.5558 -10.5558 -6.2290 -6.2290 -6.2049 -6.2049 3.8795 3.8795 4.2989 4.2989 4.3323 4.3323 4.8070 4.8070 5.1296 5.1296 5.5294 5.5294 6.8235 6.8235 6.8923 6.8923 7.1463 7.1463 7.6020 7.6020 7.9185 7.9185 8.0068 8.0068 13.9640 13.9640 14.8900 14.8900 14.9254 14.9254 15.7654 15.7654 15.9215 15.9215 k = 0.5737-0.7324-0.4478 ( 3181 PWs) bands (ev): -31.2290 -31.2290 -31.2164 -31.2164 -14.0806 -14.0806 -13.8667 -13.8667 -12.3395 -12.3395 -12.3084 -12.3084 -11.2149 -11.2149 -11.1414 -11.1414 -10.7569 -10.7569 -10.5599 -10.5599 -6.2287 -6.2287 -6.2042 -6.2042 3.8688 3.8688 4.3008 4.3008 4.3321 4.3321 4.8158 4.8158 5.1335 5.1335 5.5289 5.5289 6.8201 6.8201 6.8922 6.8922 7.1442 7.1442 7.6049 7.6049 7.9191 7.9191 8.0060 8.0060 13.9614 13.9614 14.8891 14.8891 14.9302 14.9302 15.7731 15.7731 15.9264 15.9264 k = 0.5921-0.7237-0.4424 ( 3178 PWs) bands (ev): -31.2291 -31.2291 -31.2163 -31.2163 -14.0823 -14.0823 -13.8677 -13.8677 -12.3375 -12.3375 -12.3023 -12.3023 -11.2136 -11.2136 -11.1390 -11.1390 -10.7618 -10.7618 -10.5652 -10.5652 -6.2282 -6.2282 -6.2033 -6.2033 3.8558 3.8558 4.3030 4.3030 4.3319 4.3319 4.8267 4.8267 5.1383 5.1383 5.5283 5.5283 6.8159 6.8159 6.8919 6.8919 7.1416 7.1416 7.6085 7.6085 7.9199 7.9199 8.0049 8.0049 13.9580 13.9580 14.8872 14.8872 14.9375 14.9375 15.7827 15.7827 15.9324 15.9324 k = 0.6105-0.7150-0.4371 ( 3180 PWs) bands (ev): -31.2292 -31.2292 -31.2162 -31.2162 -14.0844 -14.0844 -13.8688 -13.8688 -12.3349 -12.3349 -12.2954 -12.2954 -11.2121 -11.2121 -11.1362 -11.1362 -10.7676 -10.7676 -10.5715 -10.5715 -6.2277 -6.2277 -6.2023 -6.2023 3.8407 3.8407 4.3055 4.3055 4.3316 4.3316 4.8393 4.8393 5.1441 5.1441 5.5275 5.5275 6.8111 6.8111 6.8917 6.8917 7.1382 7.1382 7.6130 7.6130 7.9207 7.9207 8.0035 8.0035 13.9540 13.9540 14.8842 14.8842 14.9473 14.9473 15.7939 15.7939 15.9396 15.9396 k = 0.6289-0.7062-0.4317 ( 3178 PWs) bands (ev): -31.2293 -31.2293 -31.2161 -31.2161 -14.0867 -14.0867 -13.8701 -13.8701 -12.3316 -12.3316 -12.2878 -12.2878 -11.2102 -11.2102 -11.1328 -11.1328 -10.7743 -10.7743 -10.5789 -10.5789 -6.2271 -6.2271 -6.2011 -6.2011 3.8241 3.8241 4.3082 4.3082 4.3314 4.3314 4.8532 4.8532 5.1506 5.1506 5.5267 5.5267 6.8057 6.8057 6.8915 6.8915 7.1340 7.1340 7.6183 7.6183 7.9217 7.9217 8.0019 8.0019 13.9493 13.9493 14.8803 14.8803 14.9596 14.9596 15.8064 15.8064 15.9478 15.9478 k = 0.6474-0.6975-0.4264 ( 3178 PWs) bands (ev): -31.2295 -31.2295 -31.2160 -31.2160 -14.0893 -14.0893 -13.8714 -13.8714 -12.3277 -12.3277 -12.2795 -12.2795 -11.2080 -11.2080 -11.1290 -11.1290 -10.7819 -10.7819 -10.5872 -10.5872 -6.2265 -6.2265 -6.1997 -6.1997 3.8063 3.8063 4.3110 4.3110 4.3311 4.3311 4.8683 4.8683 5.1578 5.1578 5.5257 5.5257 6.7999 6.7999 6.8912 6.8912 7.1290 7.1290 7.6245 7.6245 7.9227 7.9227 8.0001 8.0001 13.9440 13.9440 14.8757 14.8757 14.9744 14.9744 15.8199 15.8199 15.9568 15.9568 k = 0.6658-0.6887-0.4211 ( 3168 PWs) bands (ev): -31.2297 -31.2297 -31.2158 -31.2158 -14.0921 -14.0921 -13.8728 -13.8728 -12.3233 -12.3233 -12.2707 -12.2707 -11.2055 -11.2055 -11.1246 -11.1246 -10.7902 -10.7902 -10.5963 -10.5963 -6.2258 -6.2258 -6.1983 -6.1983 3.7876 3.7876 4.3138 4.3138 4.3310 4.3310 4.8841 4.8841 5.1656 5.1656 5.5248 5.5248 6.7938 6.7938 6.8910 6.8910 7.1232 7.1232 7.6315 7.6315 7.9237 7.9237 7.9980 7.9980 13.9381 13.9381 14.8705 14.8705 14.9916 14.9916 15.8340 15.8340 15.9666 15.9666 k = 0.6842-0.6800-0.4157 ( 3167 PWs) bands (ev): -31.2299 -31.2299 -31.2157 -31.2157 -14.0951 -14.0951 -13.8743 -13.8743 -12.3185 -12.3185 -12.2616 -12.2616 -11.2027 -11.2027 -11.1198 -11.1198 -10.7992 -10.7992 -10.6062 -10.6062 -6.2251 -6.2251 -6.1968 -6.1968 3.7685 3.7685 4.3164 4.3164 4.3311 4.3311 4.9005 4.9005 5.1738 5.1738 5.5237 5.5237 6.7876 6.7876 6.8909 6.8909 7.1166 7.1166 7.6393 7.6393 7.9247 7.9247 7.9957 7.9957 13.9318 13.9318 14.8649 14.8649 15.0110 15.0110 15.8482 15.8482 15.9769 15.9769 k = 0.7026-0.6713-0.4104 ( 3169 PWs) bands (ev): -31.2301 -31.2301 -31.2155 -31.2155 -14.0982 -14.0982 -13.8758 -13.8758 -12.3133 -12.3133 -12.2523 -12.2523 -11.1996 -11.1996 -11.1146 -11.1146 -10.8088 -10.8088 -10.6169 -10.6169 -6.2244 -6.2244 -6.1953 -6.1953 3.7493 3.7493 4.3186 4.3186 4.3315 4.3315 4.9171 4.9171 5.1822 5.1822 5.5226 5.5226 6.7814 6.7814 6.8907 6.8907 7.1091 7.1091 7.6478 7.6478 7.9256 7.9256 7.9931 7.9931 13.9251 13.9251 14.8590 14.8590 15.0326 15.0326 15.8619 15.8619 15.9877 15.9877 k = 0.7210-0.6625-0.4050 ( 3171 PWs) bands (ev): -31.2303 -31.2303 -31.2153 -31.2153 -14.1014 -14.1014 -13.8773 -13.8773 -12.3078 -12.3078 -12.2428 -12.2428 -11.1961 -11.1961 -11.1090 -11.1090 -10.8188 -10.8188 -10.6281 -10.6281 -6.2237 -6.2237 -6.1937 -6.1937 3.7302 3.7302 4.3201 4.3201 4.3326 4.3326 4.9337 4.9337 5.1906 5.1906 5.5214 5.5214 6.7754 6.7754 6.8907 6.8907 7.1007 7.1007 7.6570 7.6570 7.9264 7.9264 7.9903 7.9903 13.9182 13.9182 14.8529 14.8529 15.0561 15.0561 15.8746 15.8746 15.9988 15.9988 k = 0.7395-0.6538-0.3997 ( 3171 PWs) bands (ev): -31.2305 -31.2305 -31.2152 -31.2152 -14.1046 -14.1046 -13.8786 -13.8786 -12.3022 -12.3022 -12.2334 -12.2334 -11.1924 -11.1924 -11.1029 -11.1029 -10.8290 -10.8290 -10.6398 -10.6398 -6.2231 -6.2231 -6.1922 -6.1922 3.7115 3.7115 4.3207 4.3207 4.3343 4.3343 4.9502 4.9502 5.1990 5.1990 5.5203 5.5203 6.7697 6.7697 6.8907 6.8907 7.0917 7.0917 7.6669 7.6669 7.9271 7.9271 7.9873 7.9873 13.9113 13.9113 14.8468 14.8468 15.0813 15.0813 15.8852 15.8852 16.0099 16.0099 k = 0.7579-0.6451-0.3944 ( 3175 PWs) bands (ev): -31.2308 -31.2308 -31.2150 -31.2150 -14.1078 -14.1078 -13.8799 -13.8799 -12.2966 -12.2966 -12.2241 -12.2241 -11.1885 -11.1885 -11.0966 -11.0966 -10.8394 -10.8394 -10.6518 -10.6518 -6.2225 -6.2225 -6.1907 -6.1907 3.6934 3.6934 4.3208 4.3208 4.3366 4.3366 4.9664 4.9664 5.2071 5.2071 5.5191 5.5191 6.7643 6.7643 6.8908 6.8908 7.0819 7.0819 7.6773 7.6773 7.9276 7.9276 7.9840 7.9840 13.9043 13.9043 14.8407 14.8407 15.1080 15.1080 15.8928 15.8928 16.0212 16.0212 k = 0.7763-0.6363-0.3890 ( 3178 PWs) bands (ev): -31.2310 -31.2310 -31.2148 -31.2148 -14.1110 -14.1110 -13.8811 -13.8811 -12.2911 -12.2911 -12.2151 -12.2151 -11.1843 -11.1843 -11.0900 -11.0900 -10.8497 -10.8497 -10.6640 -10.6640 -6.2219 -6.2219 -6.1893 -6.1893 3.6761 3.6761 4.3203 4.3203 4.3391 4.3391 4.9821 4.9821 5.2148 5.2148 5.5180 5.5180 6.7595 6.7595 6.8910 6.8910 7.0715 7.0715 7.6881 7.6881 7.9278 7.9278 7.9805 7.9805 13.8974 13.8974 14.8347 14.8347 15.1358 15.1358 15.8962 15.8962 16.0323 16.0323 k = 0.7947-0.6276-0.3837 ( 3180 PWs) bands (ev): -31.2313 -31.2313 -31.2146 -31.2146 -14.1140 -14.1140 -13.8820 -13.8820 -12.2857 -12.2857 -12.2064 -12.2064 -11.1800 -11.1800 -11.0833 -11.0833 -10.8597 -10.8597 -10.6763 -10.6763 -6.2215 -6.2215 -6.1880 -6.1880 3.6599 3.6599 4.3196 4.3196 4.3417 4.3417 4.9973 4.9973 5.2220 5.2220 5.5169 5.5169 6.7552 6.7552 6.8913 6.8913 7.0608 7.0608 7.6993 7.6993 7.9277 7.9277 7.9769 7.9769 13.8909 13.8909 14.8289 14.8289 15.1642 15.1642 15.8947 15.8947 16.0430 16.0430 k = 0.8131-0.6189-0.3783 ( 3177 PWs) bands (ev): -31.2315 -31.2315 -31.2145 -31.2145 -14.1169 -14.1169 -13.8828 -13.8828 -12.2808 -12.2808 -12.1982 -12.1982 -11.1756 -11.1756 -11.0766 -11.0766 -10.8692 -10.8692 -10.6885 -10.6885 -6.2212 -6.2212 -6.1868 -6.1868 3.6449 3.6449 4.3187 4.3187 4.3442 4.3442 5.0118 5.0118 5.2286 5.2286 5.5158 5.5158 6.7514 6.7514 6.8917 6.8917 7.0497 7.0497 7.7108 7.7108 7.9274 7.9274 7.9731 7.9731 13.8848 13.8848 14.8234 14.8234 15.1929 15.1929 15.8883 15.8883 16.0525 16.0525 Writing output data file YOF.save init_run : 0.30s CPU 0.46s WALL ( 1 calls) electrons : 222.20s CPU 224.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 222.18s CPU 224.75s 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 : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 320 calls) cegterg : 198.89s CPU 200.87s WALL ( 409 calls) Called by sum_band: Called by *egterg: h_psi : 146.20s CPU 148.14s WALL ( 6680 calls) s_psi : 3.61s CPU 3.61s WALL ( 6680 calls) g_psi : 0.19s CPU 0.18s WALL ( 5951 calls) cdiaghg : 55.07s CPU 55.59s WALL ( 6271 calls) cegterg:over : 5.42s CPU 5.24s WALL ( 5951 calls) cegterg:upda : 4.19s CPU 4.19s WALL ( 5951 calls) cegterg:last : 2.21s CPU 2.33s WALL ( 1049 calls) cdiaghg:chol : 3.17s CPU 3.12s WALL ( 6271 calls) cdiaghg:inve : 2.04s CPU 2.21s WALL ( 6271 calls) cdiaghg:para : 3.37s CPU 3.51s WALL ( 12542 calls) Called by h_psi: h_psi:vloc : 137.13s CPU 138.90s WALL ( 6680 calls) h_psi:vnl : 8.88s CPU 9.06s WALL ( 6680 calls) add_vuspsi : 4.18s CPU 4.40s WALL ( 6680 calls) General routines calbec : 4.68s CPU 4.64s WALL ( 6680 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 126.13s CPU 127.59s WALL ( 828784 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.20s WALL ( 640 calls) Parallel routines fft_scatter : 31.11s CPU 31.73s WALL ( 828807 calls) PWSCF : 3m57.70s CPU 4m23.59s WALL This run was terminated on: 18:39: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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