Program PWSCF v.5.1.1 starts on 12Jun2016 at 18:52:52 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CuBS2.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 34 10 1580 665 104 Max 62 35 11 1583 684 106 Sum 2935 1669 485 75921 32373 5035 bravais-lattice index = 14 lattice parameter (alat) = 10.8117 a.u. unit-cell volume = 768.0582 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.811672 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.611374 celldm(5)= -0.611374 celldm(6)= 0.222748 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.222748 0.974876 0.000000 ) a(3) = ( -0.611374 -0.487438 0.623399 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.228488 0.802055 ) b(2) = ( 0.000000 1.025771 0.802055 ) b(3) = ( 0.000000 0.000000 1.604109 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) B 3.00 10.81100 B( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1113738 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4874381 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3116995 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 317 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0000000 0.0000000 0.0178234), wk = 0.0031546 k( 3) = ( 0.0000000 0.0000000 0.0356469), wk = 0.0031546 k( 4) = ( 0.0000000 0.0000000 0.0534703), wk = 0.0031546 k( 5) = ( 0.0000000 0.0000000 0.0712937), wk = 0.0031546 k( 6) = ( 0.0000000 0.0000000 0.0891172), wk = 0.0031546 k( 7) = ( 0.0000000 0.0000000 0.1069406), wk = 0.0031546 k( 8) = ( 0.0000000 0.0000000 0.1247641), wk = 0.0031546 k( 9) = ( 0.0000000 0.0000000 0.1425875), wk = 0.0031546 k( 10) = ( 0.0000000 0.0000000 0.1604109), wk = 0.0031546 k( 11) = ( 0.0000000 0.0000000 0.1782344), wk = 0.0031546 k( 12) = ( 0.0000000 0.0000000 0.1960578), wk = 0.0031546 k( 13) = ( 0.0000000 0.0000000 0.2138812), wk = 0.0031546 k( 14) = ( 0.0000000 0.0000000 0.2317047), wk = 0.0031546 k( 15) = ( 0.0000000 0.0000000 0.2495281), wk = 0.0031546 k( 16) = ( 0.0000000 0.0000000 0.2673516), wk = 0.0031546 k( 17) = ( 0.0000000 0.0000000 0.2851750), wk = 0.0031546 k( 18) = ( 0.0000000 0.0000000 0.3029984), wk = 0.0031546 k( 19) = ( 0.0000000 0.0000000 0.3208219), wk = 0.0031546 k( 20) = ( 0.0000000 0.0000000 0.3386453), wk = 0.0031546 k( 21) = ( 0.0000000 0.0000000 0.3564687), wk = 0.0031546 k( 22) = ( 0.0000000 0.0000000 0.3742922), wk = 0.0031546 k( 23) = ( 0.0000000 0.0000000 0.3921156), wk = 0.0031546 k( 24) = ( 0.0000000 0.0000000 0.4099390), wk = 0.0031546 k( 25) = ( 0.0000000 0.0000000 0.4277625), wk = 0.0031546 k( 26) = ( 0.0000000 0.0000000 0.4455859), wk = 0.0031546 k( 27) = ( 0.0000000 0.0000000 0.4634094), wk = 0.0031546 k( 28) = ( 0.0000000 0.0000000 0.4812328), wk = 0.0031546 k( 29) = ( 0.0000000 0.0000000 0.4990562), wk = 0.0031546 k( 30) = ( 0.0000000 0.0000000 0.5168797), wk = 0.0031546 k( 31) = ( 0.0000000 0.0000000 0.5347031), wk = 0.0031546 k( 32) = ( 0.0000000 0.0000000 0.5525265), wk = 0.0031546 k( 33) = ( 0.0000000 0.0000000 0.5703500), wk = 0.0031546 k( 34) = ( 0.0000000 0.0000000 0.5881734), wk = 0.0031546 k( 35) = ( 0.0000000 0.0000000 0.6059968), wk = 0.0031546 k( 36) = ( 0.0000000 0.0000000 0.6238203), wk = 0.0031546 k( 37) = ( 0.0000000 0.0000000 0.6416437), wk = 0.0031546 k( 38) = ( 0.0000000 0.0000000 0.6594672), wk = 0.0031546 k( 39) = ( 0.0000000 0.0000000 0.6772906), wk = 0.0031546 k( 40) = ( 0.0000000 0.0000000 0.6951140), wk = 0.0031546 k( 41) = ( 0.0000000 0.0000000 0.7129375), wk = 0.0031546 k( 42) = ( 0.0000000 0.0000000 0.7307609), wk = 0.0031546 k( 43) = ( 0.0000000 0.0000000 0.7485843), wk = 0.0031546 k( 44) = ( 0.0000000 0.0000000 0.7664078), wk = 0.0031546 k( 45) = ( 0.0000000 0.0000000 0.7842312), wk = 0.0031546 k( 46) = ( 0.0000000 0.0000000 0.8020546), wk = 0.0031546 k( 47) = ( 0.0000000 0.0000000 0.8020546), wk = 0.0031546 k( 48) = ( -0.0113511 0.0142372 0.8020546), wk = 0.0031546 k( 49) = ( -0.0227022 0.0284744 0.8020546), wk = 0.0031546 k( 50) = ( -0.0340533 0.0427116 0.8020546), wk = 0.0031546 k( 51) = ( -0.0454043 0.0569488 0.8020546), wk = 0.0031546 k( 52) = ( -0.0567554 0.0711860 0.8020546), wk = 0.0031546 k( 53) = ( -0.0681065 0.0854232 0.8020546), wk = 0.0031546 k( 54) = ( -0.0794576 0.0996604 0.8020546), wk = 0.0031546 k( 55) = ( -0.0908087 0.1138976 0.8020546), wk = 0.0031546 k( 56) = ( -0.1021597 0.1281348 0.8020546), wk = 0.0031546 k( 57) = ( -0.1135108 0.1423720 0.8020546), wk = 0.0031546 k( 58) = ( -0.1248619 0.1566092 0.8020546), wk = 0.0031546 k( 59) = ( -0.1362130 0.1708464 0.8020546), wk = 0.0031546 k( 60) = ( -0.1475641 0.1850836 0.8020546), wk = 0.0031546 k( 61) = ( -0.1589151 0.1993208 0.8020546), wk = 0.0031546 k( 62) = ( -0.1589151 0.1993208 0.8020546), wk = 0.0031546 k( 63) = ( -0.1666671 0.2090437 0.7896197), wk = 0.0031546 k( 64) = ( -0.1744190 0.2187667 0.7771848), wk = 0.0031546 k( 65) = ( -0.1821709 0.2284896 0.7647498), wk = 0.0031546 k( 66) = ( -0.1899229 0.2382125 0.7523149), wk = 0.0031546 k( 67) = ( -0.1976748 0.2479355 0.7398799), wk = 0.0031546 k( 68) = ( -0.2054267 0.2576584 0.7274450), wk = 0.0031546 k( 69) = ( -0.2131786 0.2673813 0.7150101), wk = 0.0031546 k( 70) = ( -0.2209306 0.2771042 0.7025751), wk = 0.0031546 k( 71) = ( -0.2286825 0.2868272 0.6901402), wk = 0.0031546 k( 72) = ( -0.2364344 0.2965501 0.6777052), wk = 0.0031546 k( 73) = ( -0.2441864 0.3062730 0.6652703), wk = 0.0031546 k( 74) = ( -0.2519383 0.3159960 0.6528354), wk = 0.0031546 k( 75) = ( -0.2596902 0.3257189 0.6404004), wk = 0.0031546 k( 76) = ( -0.2674421 0.3354418 0.6279655), wk = 0.0031546 k( 77) = ( -0.2751941 0.3451647 0.6155305), wk = 0.0031546 k( 78) = ( -0.2829460 0.3548877 0.6030956), wk = 0.0031546 k( 79) = ( -0.2906979 0.3646106 0.5906606), wk = 0.0031546 k( 80) = ( -0.2984499 0.3743335 0.5782257), wk = 0.0031546 k( 81) = ( -0.3062018 0.3840565 0.5657908), wk = 0.0031546 k( 82) = ( -0.3139537 0.3937794 0.5533558), wk = 0.0031546 k( 83) = ( -0.3217056 0.4035023 0.5409209), wk = 0.0031546 k( 84) = ( -0.3294576 0.4132253 0.5284859), wk = 0.0031546 k( 85) = ( -0.3294576 0.4132253 0.5284859), wk = 0.0031546 k( 86) = ( -0.3216133 0.4033866 0.5159029), wk = 0.0031546 k( 87) = ( -0.3137691 0.3935479 0.5033200), wk = 0.0031546 k( 88) = ( -0.3059249 0.3837092 0.4907370), wk = 0.0031546 k( 89) = ( -0.2980807 0.3738705 0.4781540), wk = 0.0031546 k( 90) = ( -0.2902364 0.3640318 0.4655710), wk = 0.0031546 k( 91) = ( -0.2823922 0.3541931 0.4529880), wk = 0.0031546 k( 92) = ( -0.2745480 0.3443544 0.4404050), wk = 0.0031546 k( 93) = ( -0.2667038 0.3345157 0.4278220), wk = 0.0031546 k( 94) = ( -0.2588595 0.3246770 0.4152390), wk = 0.0031546 k( 95) = ( -0.2510153 0.3148383 0.4026560), wk = 0.0031546 k( 96) = ( -0.2431711 0.3049996 0.3900730), wk = 0.0031546 k( 97) = ( -0.2353268 0.2951609 0.3774900), wk = 0.0031546 k( 98) = ( -0.2274826 0.2853222 0.3649070), wk = 0.0031546 k( 99) = ( -0.2196384 0.2754835 0.3523240), wk = 0.0031546 k( 100) = ( -0.2117941 0.2656448 0.3397410), wk = 0.0031546 k( 101) = ( -0.2039499 0.2558061 0.3271580), wk = 0.0031546 k( 102) = ( -0.1961057 0.2459674 0.3145750), wk = 0.0031546 k( 103) = ( -0.1882615 0.2361287 0.3019920), wk = 0.0031546 k( 104) = ( -0.1804172 0.2262900 0.2894090), wk = 0.0031546 k( 105) = ( -0.1725730 0.2164513 0.2768260), wk = 0.0031546 k( 106) = ( -0.1647288 0.2066126 0.2642430), wk = 0.0031546 k( 107) = ( -0.1568846 0.1967739 0.2516600), wk = 0.0031546 k( 108) = ( -0.1490403 0.1869352 0.2390770), wk = 0.0031546 k( 109) = ( -0.1411961 0.1770965 0.2264940), wk = 0.0031546 k( 110) = ( -0.1333519 0.1672578 0.2139110), wk = 0.0031546 k( 111) = ( -0.1255076 0.1574191 0.2013280), wk = 0.0031546 k( 112) = ( -0.1176634 0.1475804 0.1887450), wk = 0.0031546 k( 113) = ( -0.1098192 0.1377418 0.1761620), wk = 0.0031546 k( 114) = ( -0.1019750 0.1279031 0.1635790), wk = 0.0031546 k( 115) = ( -0.0941307 0.1180644 0.1509960), wk = 0.0031546 k( 116) = ( -0.0862865 0.1082257 0.1384130), wk = 0.0031546 k( 117) = ( -0.0784423 0.0983870 0.1258300), wk = 0.0031546 k( 118) = ( -0.0705980 0.0885483 0.1132470), wk = 0.0031546 k( 119) = ( -0.0627538 0.0787096 0.1006640), wk = 0.0031546 k( 120) = ( -0.0549096 0.0688709 0.0880810), wk = 0.0031546 k( 121) = ( -0.0470654 0.0590322 0.0754980), wk = 0.0031546 k( 122) = ( -0.0392211 0.0491935 0.0629150), wk = 0.0031546 k( 123) = ( -0.0313769 0.0393548 0.0503320), wk = 0.0031546 k( 124) = ( -0.0235327 0.0295161 0.0377490), wk = 0.0031546 k( 125) = ( -0.0156885 0.0196774 0.0251660), wk = 0.0031546 k( 126) = ( -0.0078442 0.0098387 0.0125830), wk = 0.0031546 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 129) = ( 0.0138889 0.0110734 -0.0000000), wk = 0.0031546 k( 130) = ( 0.0277778 0.0221468 -0.0000000), wk = 0.0031546 k( 131) = ( 0.0416667 0.0332201 -0.0000000), wk = 0.0031546 k( 132) = ( 0.0555556 0.0442935 -0.0000000), wk = 0.0031546 k( 133) = ( 0.0694444 0.0553669 -0.0000000), wk = 0.0031546 k( 134) = ( 0.0833333 0.0664403 -0.0000000), wk = 0.0031546 k( 135) = ( 0.0972222 0.0775136 -0.0000000), wk = 0.0031546 k( 136) = ( 0.1111111 0.0885870 -0.0000000), wk = 0.0031546 k( 137) = ( 0.1250000 0.0996604 -0.0000000), wk = 0.0031546 k( 138) = ( 0.1388889 0.1107338 -0.0000000), wk = 0.0031546 k( 139) = ( 0.1527778 0.1218072 -0.0000000), wk = 0.0031546 k( 140) = ( 0.1666667 0.1328805 -0.0000000), wk = 0.0031546 k( 141) = ( 0.1805556 0.1439539 -0.0000000), wk = 0.0031546 k( 142) = ( 0.1944444 0.1550273 -0.0000000), wk = 0.0031546 k( 143) = ( 0.2083333 0.1661007 -0.0000000), wk = 0.0031546 k( 144) = ( 0.2222222 0.1771741 -0.0000000), wk = 0.0031546 k( 145) = ( 0.2361111 0.1882474 -0.0000000), wk = 0.0031546 k( 146) = ( 0.2500000 0.1993208 -0.0000000), wk = 0.0031546 k( 147) = ( 0.2638889 0.2103942 -0.0000000), wk = 0.0031546 k( 148) = ( 0.2777778 0.2214676 -0.0000000), wk = 0.0031546 k( 149) = ( 0.2916667 0.2325409 -0.0000000), wk = 0.0031546 k( 150) = ( 0.3055556 0.2436143 -0.0000000), wk = 0.0031546 k( 151) = ( 0.3194444 0.2546877 -0.0000000), wk = 0.0031546 k( 152) = ( 0.3333333 0.2657611 -0.0000000), wk = 0.0031546 k( 153) = ( 0.3472222 0.2768345 -0.0000000), wk = 0.0031546 k( 154) = ( 0.3611111 0.2879078 -0.0000000), wk = 0.0031546 k( 155) = ( 0.3750000 0.2989812 -0.0000000), wk = 0.0031546 k( 156) = ( 0.3888889 0.3100546 -0.0000000), wk = 0.0031546 k( 157) = ( 0.4027778 0.3211280 0.0000000), wk = 0.0031546 k( 158) = ( 0.4166667 0.3322014 -0.0000000), wk = 0.0031546 k( 159) = ( 0.4305556 0.3432747 -0.0000000), wk = 0.0031546 k( 160) = ( 0.4444444 0.3543481 -0.0000000), wk = 0.0031546 k( 161) = ( 0.4583333 0.3654215 -0.0000000), wk = 0.0031546 k( 162) = ( 0.4722222 0.3764949 -0.0000000), wk = 0.0031546 k( 163) = ( 0.4861111 0.3875682 -0.0000000), wk = 0.0031546 k( 164) = ( 0.5000000 0.3986416 -0.0000000), wk = 0.0031546 k( 165) = ( 0.5000000 0.3986416 -0.0000000), wk = 0.0031546 k( 166) = ( 0.4922481 0.4083646 0.0124349), wk = 0.0031546 k( 167) = ( 0.4844961 0.4180875 0.0248699), wk = 0.0031546 k( 168) = ( 0.4767442 0.4278104 0.0373048), wk = 0.0031546 k( 169) = ( 0.4689923 0.4375333 0.0497398), wk = 0.0031546 k( 170) = ( 0.4612404 0.4472563 0.0621747), wk = 0.0031546 k( 171) = ( 0.4534884 0.4569792 0.0746096), wk = 0.0031546 k( 172) = ( 0.4457365 0.4667021 0.0870446), wk = 0.0031546 k( 173) = ( 0.4379846 0.4764251 0.0994795), wk = 0.0031546 k( 174) = ( 0.4302326 0.4861480 0.1119145), wk = 0.0031546 k( 175) = ( 0.4224807 0.4958709 0.1243494), wk = 0.0031546 k( 176) = ( 0.4147288 0.5055938 0.1367843), wk = 0.0031546 k( 177) = ( 0.4069769 0.5153168 0.1492193), wk = 0.0031546 k( 178) = ( 0.3992249 0.5250397 0.1616542), wk = 0.0031546 k( 179) = ( 0.3914730 0.5347626 0.1740892), wk = 0.0031546 k( 180) = ( 0.3837211 0.5444856 0.1865241), wk = 0.0031546 k( 181) = ( 0.3759691 0.5542085 0.1989591), wk = 0.0031546 k( 182) = ( 0.3682172 0.5639314 0.2113940), wk = 0.0031546 k( 183) = ( 0.3604653 0.5736543 0.2238289), wk = 0.0031546 k( 184) = ( 0.3527134 0.5833773 0.2362639), wk = 0.0031546 k( 185) = ( 0.3449614 0.5931002 0.2486988), wk = 0.0031546 k( 186) = ( 0.3372095 0.6028231 0.2611338), wk = 0.0031546 k( 187) = ( 0.3294576 0.6125461 0.2735687), wk = 0.0031546 k( 188) = ( 0.3294576 0.6125461 0.2735687), wk = 0.0031546 k( 189) = ( 0.3137691 0.6078003 0.2796381), wk = 0.0031546 k( 190) = ( 0.2980807 0.6030546 0.2857076), wk = 0.0031546 k( 191) = ( 0.2823922 0.5983089 0.2917771), wk = 0.0031546 k( 192) = ( 0.2667038 0.5935631 0.2978465), wk = 0.0031546 k( 193) = ( 0.2510153 0.5888174 0.3039160), wk = 0.0031546 k( 194) = ( 0.2353268 0.5840717 0.3099854), wk = 0.0031546 k( 195) = ( 0.2196384 0.5793259 0.3160549), wk = 0.0031546 k( 196) = ( 0.2039499 0.5745802 0.3221244), wk = 0.0031546 k( 197) = ( 0.1882615 0.5698345 0.3281938), wk = 0.0031546 k( 198) = ( 0.1725730 0.5650887 0.3342633), wk = 0.0031546 k( 199) = ( 0.1568846 0.5603430 0.3403327), wk = 0.0031546 k( 200) = ( 0.1411961 0.5555973 0.3464022), wk = 0.0031546 k( 201) = ( 0.1255076 0.5508515 0.3524716), wk = 0.0031546 k( 202) = ( 0.1098192 0.5461058 0.3585411), wk = 0.0031546 k( 203) = ( 0.0941307 0.5413601 0.3646106), wk = 0.0031546 k( 204) = ( 0.0784423 0.5366143 0.3706800), wk = 0.0031546 k( 205) = ( 0.0627538 0.5318686 0.3767495), wk = 0.0031546 k( 206) = ( 0.0470654 0.5271229 0.3828189), wk = 0.0031546 k( 207) = ( 0.0313769 0.5223771 0.3888884), wk = 0.0031546 k( 208) = ( 0.0156885 0.5176314 0.3949579), wk = 0.0031546 k( 209) = ( 0.0000000 0.5128857 0.4010273), wk = 0.0031546 k( 210) = ( 0.0000000 0.5128857 0.4010273), wk = 0.0031546 k( 211) = ( 0.0078125 0.5030868 0.4135594), wk = 0.0031546 k( 212) = ( 0.0156250 0.4932879 0.4260915), wk = 0.0031546 k( 213) = ( 0.0234375 0.4834890 0.4386236), wk = 0.0031546 k( 214) = ( 0.0312500 0.4736901 0.4511557), wk = 0.0031546 k( 215) = ( 0.0390625 0.4638912 0.4636878), wk = 0.0031546 k( 216) = ( 0.0468750 0.4540923 0.4762199), wk = 0.0031546 k( 217) = ( 0.0546875 0.4442933 0.4887520), wk = 0.0031546 k( 218) = ( 0.0625000 0.4344944 0.5012842), wk = 0.0031546 k( 219) = ( 0.0703125 0.4246955 0.5138163), wk = 0.0031546 k( 220) = ( 0.0781250 0.4148966 0.5263484), wk = 0.0031546 k( 221) = ( 0.0859375 0.4050977 0.5388805), wk = 0.0031546 k( 222) = ( 0.0937500 0.3952988 0.5514126), wk = 0.0031546 k( 223) = ( 0.1015625 0.3854999 0.5639447), wk = 0.0031546 k( 224) = ( 0.1093750 0.3757010 0.5764768), wk = 0.0031546 k( 225) = ( 0.1171875 0.3659021 0.5890089), wk = 0.0031546 k( 226) = ( 0.1250000 0.3561032 0.6015410), wk = 0.0031546 k( 227) = ( 0.1328125 0.3463043 0.6140731), wk = 0.0031546 k( 228) = ( 0.1406250 0.3365054 0.6266052), wk = 0.0031546 k( 229) = ( 0.1484375 0.3267065 0.6391373), wk = 0.0031546 k( 230) = ( 0.1562500 0.3169076 0.6516694), wk = 0.0031546 k( 231) = ( 0.1640625 0.3071087 0.6642015), wk = 0.0031546 k( 232) = ( 0.1718750 0.2973098 0.6767336), wk = 0.0031546 k( 233) = ( 0.1796875 0.2875109 0.6892657), wk = 0.0031546 k( 234) = ( 0.1875000 0.2777120 0.7017978), wk = 0.0031546 k( 235) = ( 0.1953125 0.2679131 0.7143299), wk = 0.0031546 k( 236) = ( 0.2031250 0.2581142 0.7268620), wk = 0.0031546 k( 237) = ( 0.2109375 0.2483153 0.7393941), wk = 0.0031546 k( 238) = ( 0.2187500 0.2385164 0.7519262), wk = 0.0031546 k( 239) = ( 0.2265625 0.2287175 0.7644583), wk = 0.0031546 k( 240) = ( 0.2343750 0.2189186 0.7769904), wk = 0.0031546 k( 241) = ( 0.2421875 0.2091197 0.7895225), wk = 0.0031546 k( 242) = ( 0.2500000 0.1993208 0.8020546), wk = 0.0031546 k( 243) = ( 0.2500000 0.1993208 0.8020546), wk = 0.0031546 k( 244) = ( 0.2608696 0.2079869 0.7909713), wk = 0.0031546 k( 245) = ( 0.2717391 0.2166531 0.7798879), wk = 0.0031546 k( 246) = ( 0.2826087 0.2253192 0.7688046), wk = 0.0031546 k( 247) = ( 0.2934783 0.2339853 0.7577212), wk = 0.0031546 k( 248) = ( 0.3043478 0.2426514 0.7466379), wk = 0.0031546 k( 249) = ( 0.3152174 0.2513175 0.7355545), wk = 0.0031546 k( 250) = ( 0.3260870 0.2599837 0.7244711), wk = 0.0031546 k( 251) = ( 0.3369565 0.2686498 0.7133878), wk = 0.0031546 k( 252) = ( 0.3478261 0.2773159 0.7023044), wk = 0.0031546 k( 253) = ( 0.3586956 0.2859820 0.6912211), wk = 0.0031546 k( 254) = ( 0.3695652 0.2946482 0.6801377), wk = 0.0031546 k( 255) = ( 0.3804348 0.3033143 0.6690543), wk = 0.0031546 k( 256) = ( 0.3913044 0.3119804 0.6579710), wk = 0.0031546 k( 257) = ( 0.4021739 0.3206465 0.6468876), wk = 0.0031546 k( 258) = ( 0.4130435 0.3293126 0.6358043), wk = 0.0031546 k( 259) = ( 0.4239130 0.3379788 0.6247209), wk = 0.0031546 k( 260) = ( 0.4347826 0.3466449 0.6136375), wk = 0.0031546 k( 261) = ( 0.4456522 0.3553110 0.6025542), wk = 0.0031546 k( 262) = ( 0.4565217 0.3639771 0.5914708), wk = 0.0031546 k( 263) = ( 0.4673913 0.3726433 0.5803875), wk = 0.0031546 k( 264) = ( 0.4782609 0.3813094 0.5693041), wk = 0.0031546 k( 265) = ( 0.4891304 0.3899755 0.5582207), wk = 0.0031546 k( 266) = ( 0.5000000 0.3986416 0.5471374), wk = 0.0031546 k( 267) = ( 0.5000000 0.3986416 0.5471374), wk = 0.0031546 k( 268) = ( 0.5000000 0.3986416 0.5294878), wk = 0.0031546 k( 269) = ( 0.5000000 0.3986416 0.5118382), wk = 0.0031546 k( 270) = ( 0.5000000 0.3986416 0.4941886), wk = 0.0031546 k( 271) = ( 0.5000000 0.3986416 0.4765390), wk = 0.0031546 k( 272) = ( 0.5000000 0.3986416 0.4588894), wk = 0.0031546 k( 273) = ( 0.5000000 0.3986416 0.4412398), wk = 0.0031546 k( 274) = ( 0.5000000 0.3986416 0.4235902), wk = 0.0031546 k( 275) = ( 0.5000000 0.3986416 0.4059406), wk = 0.0031546 k( 276) = ( 0.5000000 0.3986416 0.3882910), wk = 0.0031546 k( 277) = ( 0.5000000 0.3986416 0.3706415), wk = 0.0031546 k( 278) = ( 0.5000000 0.3986416 0.3529919), wk = 0.0031546 k( 279) = ( 0.5000000 0.3986416 0.3353423), wk = 0.0031546 k( 280) = ( 0.5000000 0.3986416 0.3176927), wk = 0.0031546 k( 281) = ( 0.5000000 0.3986416 0.3000431), wk = 0.0031546 k( 282) = ( 0.5000000 0.3986416 0.2823935), wk = 0.0031546 k( 283) = ( 0.5000000 0.3986416 0.2647439), wk = 0.0031546 k( 284) = ( 0.5000000 0.3986416 0.2470943), wk = 0.0031546 k( 285) = ( 0.5000000 0.3986416 0.2294447), wk = 0.0031546 k( 286) = ( 0.5000000 0.3986416 0.2117951), wk = 0.0031546 k( 287) = ( 0.5000000 0.3986416 0.1941455), wk = 0.0031546 k( 288) = ( 0.5000000 0.3986416 0.1764959), wk = 0.0031546 k( 289) = ( 0.5000000 0.3986416 0.1588463), wk = 0.0031546 k( 290) = ( 0.5000000 0.3986416 0.1411967), wk = 0.0031546 k( 291) = ( 0.5000000 0.3986416 0.1235472), wk = 0.0031546 k( 292) = ( 0.5000000 0.3986416 0.1058976), wk = 0.0031546 k( 293) = ( 0.5000000 0.3986416 0.0882480), wk = 0.0031546 k( 294) = ( 0.5000000 0.3986416 0.0705984), wk = 0.0031546 k( 295) = ( 0.5000000 0.3986416 0.0529488), wk = 0.0031546 k( 296) = ( 0.5000000 0.3986416 0.0352992), wk = 0.0031546 k( 297) = ( 0.5000000 0.3986416 0.0176496), wk = 0.0031546 k( 298) = ( 0.5000000 0.3986416 -0.0000000), wk = 0.0031546 k( 299) = ( 0.0000000 0.0000000 0.8020546), wk = 0.0031546 k( 300) = ( 0.0138889 0.0110734 0.8020546), wk = 0.0031546 k( 301) = ( 0.0277778 0.0221468 0.8020546), wk = 0.0031546 k( 302) = ( 0.0416667 0.0332201 0.8020546), wk = 0.0031546 k( 303) = ( 0.0555556 0.0442935 0.8020546), wk = 0.0031546 k( 304) = ( 0.0694444 0.0553669 0.8020546), wk = 0.0031546 k( 305) = ( 0.0833333 0.0664403 0.8020546), wk = 0.0031546 k( 306) = ( 0.0972222 0.0775136 0.8020546), wk = 0.0031546 k( 307) = ( 0.1111111 0.0885870 0.8020546), wk = 0.0031546 k( 308) = ( 0.1250000 0.0996604 0.8020546), wk = 0.0031546 k( 309) = ( 0.1388889 0.1107338 0.8020546), wk = 0.0031546 k( 310) = ( 0.1527778 0.1218072 0.8020546), wk = 0.0031546 k( 311) = ( 0.1666667 0.1328805 0.8020546), wk = 0.0031546 k( 312) = ( 0.1805556 0.1439539 0.8020546), wk = 0.0031546 k( 313) = ( 0.1944444 0.1550273 0.8020546), wk = 0.0031546 k( 314) = ( 0.2083333 0.1661007 0.8020546), wk = 0.0031546 k( 315) = ( 0.2222222 0.1771741 0.8020546), wk = 0.0031546 k( 316) = ( 0.2361111 0.1882474 0.8020546), wk = 0.0031546 k( 317) = ( 0.2500000 0.1993208 0.8020546), wk = 0.0031546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0031546 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0031546 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0031546 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0031546 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031546 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0031546 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0031546 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0031546 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0031546 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031546 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0031546 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0031546 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0031546 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0031546 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031546 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0031546 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0031546 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0031546 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0031546 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031546 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0031546 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0031546 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0031546 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0031546 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031546 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0031546 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0031546 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0031546 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0031546 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031546 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0031546 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0031546 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0031546 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0031546 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031546 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0031546 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0031546 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0031546 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0031546 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031546 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0031546 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0031546 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0031546 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0031546 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 48) = ( -0.0113511 0.0113511 0.5000000), wk = 0.0031546 k( 49) = ( -0.0227022 0.0227022 0.5000000), wk = 0.0031546 k( 50) = ( -0.0340533 0.0340532 0.5000000), wk = 0.0031546 k( 51) = ( -0.0454043 0.0454043 0.5000000), wk = 0.0031546 k( 52) = ( -0.0567554 0.0567554 0.5000000), wk = 0.0031546 k( 53) = ( -0.0681065 0.0681065 0.5000000), wk = 0.0031546 k( 54) = ( -0.0794576 0.0794576 0.5000000), wk = 0.0031546 k( 55) = ( -0.0908087 0.0908086 0.5000000), wk = 0.0031546 k( 56) = ( -0.1021597 0.1021597 0.5000000), wk = 0.0031546 k( 57) = ( -0.1135108 0.1135108 0.5000000), wk = 0.0031546 k( 58) = ( -0.1248619 0.1248619 0.5000000), wk = 0.0031546 k( 59) = ( -0.1362130 0.1362130 0.5000000), wk = 0.0031546 k( 60) = ( -0.1475641 0.1475641 0.5000000), wk = 0.0031546 k( 61) = ( -0.1589151 0.1589151 0.5000000), wk = 0.0031546 k( 62) = ( -0.1589151 0.1589151 0.5000000), wk = 0.0031546 k( 63) = ( -0.1666671 0.1666671 0.4922481), wk = 0.0031546 k( 64) = ( -0.1744190 0.1744190 0.4844961), wk = 0.0031546 k( 65) = ( -0.1821709 0.1821709 0.4767442), wk = 0.0031546 k( 66) = ( -0.1899229 0.1899229 0.4689923), wk = 0.0031546 k( 67) = ( -0.1976748 0.1976748 0.4612404), wk = 0.0031546 k( 68) = ( -0.2054267 0.2054267 0.4534884), wk = 0.0031546 k( 69) = ( -0.2131786 0.2131786 0.4457365), wk = 0.0031546 k( 70) = ( -0.2209306 0.2209306 0.4379846), wk = 0.0031546 k( 71) = ( -0.2286825 0.2286825 0.4302326), wk = 0.0031546 k( 72) = ( -0.2364344 0.2364344 0.4224807), wk = 0.0031546 k( 73) = ( -0.2441864 0.2441864 0.4147288), wk = 0.0031546 k( 74) = ( -0.2519383 0.2519383 0.4069769), wk = 0.0031546 k( 75) = ( -0.2596902 0.2596902 0.3992249), wk = 0.0031546 k( 76) = ( -0.2674421 0.2674421 0.3914730), wk = 0.0031546 k( 77) = ( -0.2751941 0.2751941 0.3837211), wk = 0.0031546 k( 78) = ( -0.2829460 0.2829460 0.3759691), wk = 0.0031546 k( 79) = ( -0.2906979 0.2906979 0.3682172), wk = 0.0031546 k( 80) = ( -0.2984499 0.2984499 0.3604653), wk = 0.0031546 k( 81) = ( -0.3062018 0.3062018 0.3527134), wk = 0.0031546 k( 82) = ( -0.3139537 0.3139537 0.3449614), wk = 0.0031546 k( 83) = ( -0.3217056 0.3217056 0.3372095), wk = 0.0031546 k( 84) = ( -0.3294576 0.3294576 0.3294576), wk = 0.0031546 k( 85) = ( -0.3294576 0.3294576 0.3294576), wk = 0.0031546 k( 86) = ( -0.3216133 0.3216133 0.3216133), wk = 0.0031546 k( 87) = ( -0.3137691 0.3137691 0.3137691), wk = 0.0031546 k( 88) = ( -0.3059249 0.3059249 0.3059249), wk = 0.0031546 k( 89) = ( -0.2980807 0.2980807 0.2980807), wk = 0.0031546 k( 90) = ( -0.2902364 0.2902364 0.2902364), wk = 0.0031546 k( 91) = ( -0.2823922 0.2823922 0.2823922), wk = 0.0031546 k( 92) = ( -0.2745480 0.2745480 0.2745480), wk = 0.0031546 k( 93) = ( -0.2667038 0.2667037 0.2667038), wk = 0.0031546 k( 94) = ( -0.2588595 0.2588595 0.2588595), wk = 0.0031546 k( 95) = ( -0.2510153 0.2510153 0.2510153), wk = 0.0031546 k( 96) = ( -0.2431711 0.2431711 0.2431711), wk = 0.0031546 k( 97) = ( -0.2353268 0.2353268 0.2353268), wk = 0.0031546 k( 98) = ( -0.2274826 0.2274826 0.2274826), wk = 0.0031546 k( 99) = ( -0.2196384 0.2196384 0.2196384), wk = 0.0031546 k( 100) = ( -0.2117941 0.2117941 0.2117942), wk = 0.0031546 k( 101) = ( -0.2039499 0.2039499 0.2039499), wk = 0.0031546 k( 102) = ( -0.1961057 0.1961057 0.1961057), wk = 0.0031546 k( 103) = ( -0.1882615 0.1882615 0.1882615), wk = 0.0031546 k( 104) = ( -0.1804172 0.1804172 0.1804172), wk = 0.0031546 k( 105) = ( -0.1725730 0.1725730 0.1725730), wk = 0.0031546 k( 106) = ( -0.1647288 0.1647288 0.1647288), wk = 0.0031546 k( 107) = ( -0.1568846 0.1568846 0.1568846), wk = 0.0031546 k( 108) = ( -0.1490403 0.1490403 0.1490403), wk = 0.0031546 k( 109) = ( -0.1411961 0.1411961 0.1411961), wk = 0.0031546 k( 110) = ( -0.1333519 0.1333519 0.1333519), wk = 0.0031546 k( 111) = ( -0.1255076 0.1255076 0.1255077), wk = 0.0031546 k( 112) = ( -0.1176634 0.1176634 0.1176634), wk = 0.0031546 k( 113) = ( -0.1098192 0.1098192 0.1098192), wk = 0.0031546 k( 114) = ( -0.1019750 0.1019750 0.1019750), wk = 0.0031546 k( 115) = ( -0.0941307 0.0941307 0.0941307), wk = 0.0031546 k( 116) = ( -0.0862865 0.0862865 0.0862865), wk = 0.0031546 k( 117) = ( -0.0784423 0.0784423 0.0784423), wk = 0.0031546 k( 118) = ( -0.0705980 0.0705980 0.0705980), wk = 0.0031546 k( 119) = ( -0.0627538 0.0627538 0.0627538), wk = 0.0031546 k( 120) = ( -0.0549096 0.0549096 0.0549096), wk = 0.0031546 k( 121) = ( -0.0470654 0.0470654 0.0470654), wk = 0.0031546 k( 122) = ( -0.0392211 0.0392211 0.0392211), wk = 0.0031546 k( 123) = ( -0.0313769 0.0313769 0.0313769), wk = 0.0031546 k( 124) = ( -0.0235327 0.0235327 0.0235327), wk = 0.0031546 k( 125) = ( -0.0156885 0.0156885 0.0156885), wk = 0.0031546 k( 126) = ( -0.0078442 0.0078442 0.0078442), wk = 0.0031546 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 129) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0031546 k( 130) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0031546 k( 131) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0031546 k( 132) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0031546 k( 133) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0031546 k( 134) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0031546 k( 135) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0031546 k( 136) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0031546 k( 137) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031546 k( 138) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0031546 k( 139) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0031546 k( 140) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0031546 k( 141) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0031546 k( 142) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0031546 k( 143) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0031546 k( 144) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0031546 k( 145) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0031546 k( 146) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031546 k( 147) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0031546 k( 148) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0031546 k( 149) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0031546 k( 150) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0031546 k( 151) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0031546 k( 152) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0031546 k( 153) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0031546 k( 154) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0031546 k( 155) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031546 k( 156) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0031546 k( 157) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0031546 k( 158) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0031546 k( 159) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0031546 k( 160) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0031546 k( 161) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0031546 k( 162) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0031546 k( 163) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0031546 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 165) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 166) = ( 0.4922481 0.5077519 -0.4922481), wk = 0.0031546 k( 167) = ( 0.4844961 0.5155039 -0.4844961), wk = 0.0031546 k( 168) = ( 0.4767442 0.5232558 -0.4767442), wk = 0.0031546 k( 169) = ( 0.4689923 0.5310077 -0.4689923), wk = 0.0031546 k( 170) = ( 0.4612404 0.5387596 -0.4612404), wk = 0.0031546 k( 171) = ( 0.4534884 0.5465116 -0.4534884), wk = 0.0031546 k( 172) = ( 0.4457365 0.5542635 -0.4457365), wk = 0.0031546 k( 173) = ( 0.4379846 0.5620154 -0.4379846), wk = 0.0031546 k( 174) = ( 0.4302326 0.5697674 -0.4302326), wk = 0.0031546 k( 175) = ( 0.4224807 0.5775193 -0.4224807), wk = 0.0031546 k( 176) = ( 0.4147288 0.5852712 -0.4147288), wk = 0.0031546 k( 177) = ( 0.4069769 0.5930231 -0.4069769), wk = 0.0031546 k( 178) = ( 0.3992249 0.6007751 -0.3992249), wk = 0.0031546 k( 179) = ( 0.3914730 0.6085270 -0.3914730), wk = 0.0031546 k( 180) = ( 0.3837211 0.6162789 -0.3837211), wk = 0.0031546 k( 181) = ( 0.3759691 0.6240309 -0.3759691), wk = 0.0031546 k( 182) = ( 0.3682172 0.6317828 -0.3682172), wk = 0.0031546 k( 183) = ( 0.3604653 0.6395347 -0.3604653), wk = 0.0031546 k( 184) = ( 0.3527134 0.6472866 -0.3527134), wk = 0.0031546 k( 185) = ( 0.3449614 0.6550386 -0.3449614), wk = 0.0031546 k( 186) = ( 0.3372095 0.6627905 -0.3372095), wk = 0.0031546 k( 187) = ( 0.3294576 0.6705424 -0.3294576), wk = 0.0031546 k( 188) = ( 0.3294576 0.6705424 -0.3294576), wk = 0.0031546 k( 189) = ( 0.3137691 0.6624214 -0.3137691), wk = 0.0031546 k( 190) = ( 0.2980807 0.6543003 -0.2980807), wk = 0.0031546 k( 191) = ( 0.2823922 0.6461792 -0.2823922), wk = 0.0031546 k( 192) = ( 0.2667038 0.6380582 -0.2667038), wk = 0.0031546 k( 193) = ( 0.2510153 0.6299371 -0.2510153), wk = 0.0031546 k( 194) = ( 0.2353268 0.6218160 -0.2353268), wk = 0.0031546 k( 195) = ( 0.2196384 0.6136949 -0.2196384), wk = 0.0031546 k( 196) = ( 0.2039499 0.6055739 -0.2039499), wk = 0.0031546 k( 197) = ( 0.1882615 0.5974528 -0.1882615), wk = 0.0031546 k( 198) = ( 0.1725730 0.5893317 -0.1725730), wk = 0.0031546 k( 199) = ( 0.1568846 0.5812107 -0.1568846), wk = 0.0031546 k( 200) = ( 0.1411961 0.5730896 -0.1411961), wk = 0.0031546 k( 201) = ( 0.1255076 0.5649685 -0.1255077), wk = 0.0031546 k( 202) = ( 0.1098192 0.5568475 -0.1098192), wk = 0.0031546 k( 203) = ( 0.0941307 0.5487264 -0.0941307), wk = 0.0031546 k( 204) = ( 0.0784423 0.5406053 -0.0784423), wk = 0.0031546 k( 205) = ( 0.0627538 0.5324843 -0.0627538), wk = 0.0031546 k( 206) = ( 0.0470654 0.5243632 -0.0470654), wk = 0.0031546 k( 207) = ( 0.0313769 0.5162421 -0.0313769), wk = 0.0031546 k( 208) = ( 0.0156885 0.5081211 -0.0156885), wk = 0.0031546 k( 209) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031546 k( 210) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031546 k( 211) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0031546 k( 212) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0031546 k( 213) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0031546 k( 214) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0031546 k( 215) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0031546 k( 216) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0031546 k( 217) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0031546 k( 218) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0031546 k( 219) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0031546 k( 220) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0031546 k( 221) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0031546 k( 222) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0031546 k( 223) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0031546 k( 224) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0031546 k( 225) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0031546 k( 226) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0031546 k( 227) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0031546 k( 228) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0031546 k( 229) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0031546 k( 230) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0031546 k( 231) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0031546 k( 232) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0031546 k( 233) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0031546 k( 234) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0031546 k( 235) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0031546 k( 236) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0031546 k( 237) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0031546 k( 238) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0031546 k( 239) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0031546 k( 240) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0031546 k( 241) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0031546 k( 242) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 k( 243) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 k( 244) = ( 0.2608696 0.2608696 0.2322211), wk = 0.0031546 k( 245) = ( 0.2717391 0.2717391 0.2144422), wk = 0.0031546 k( 246) = ( 0.2826087 0.2826087 0.1966632), wk = 0.0031546 k( 247) = ( 0.2934783 0.2934783 0.1788843), wk = 0.0031546 k( 248) = ( 0.3043478 0.3043478 0.1611054), wk = 0.0031546 k( 249) = ( 0.3152174 0.3152174 0.1433265), wk = 0.0031546 k( 250) = ( 0.3260870 0.3260870 0.1255476), wk = 0.0031546 k( 251) = ( 0.3369565 0.3369565 0.1077686), wk = 0.0031546 k( 252) = ( 0.3478261 0.3478261 0.0899897), wk = 0.0031546 k( 253) = ( 0.3586956 0.3586956 0.0722108), wk = 0.0031546 k( 254) = ( 0.3695652 0.3695652 0.0544319), wk = 0.0031546 k( 255) = ( 0.3804348 0.3804348 0.0366530), wk = 0.0031546 k( 256) = ( 0.3913044 0.3913043 0.0188740), wk = 0.0031546 k( 257) = ( 0.4021739 0.4021739 0.0010951), wk = 0.0031546 k( 258) = ( 0.4130435 0.4130435 -0.0166838), wk = 0.0031546 k( 259) = ( 0.4239130 0.4239130 -0.0344627), wk = 0.0031546 k( 260) = ( 0.4347826 0.4347826 -0.0522416), wk = 0.0031546 k( 261) = ( 0.4456522 0.4456522 -0.0700205), wk = 0.0031546 k( 262) = ( 0.4565217 0.4565217 -0.0877995), wk = 0.0031546 k( 263) = ( 0.4673913 0.4673913 -0.1055784), wk = 0.0031546 k( 264) = ( 0.4782609 0.4782609 -0.1233573), wk = 0.0031546 k( 265) = ( 0.4891304 0.4891304 -0.1411362), wk = 0.0031546 k( 266) = ( 0.5000000 0.5000000 -0.1589151), wk = 0.0031546 k( 267) = ( 0.5000000 0.5000000 -0.1589151), wk = 0.0031546 k( 268) = ( 0.5000000 0.5000000 -0.1699179), wk = 0.0031546 k( 269) = ( 0.5000000 0.5000000 -0.1809206), wk = 0.0031546 k( 270) = ( 0.5000000 0.5000000 -0.1919234), wk = 0.0031546 k( 271) = ( 0.5000000 0.5000000 -0.2029261), wk = 0.0031546 k( 272) = ( 0.5000000 0.5000000 -0.2139288), wk = 0.0031546 k( 273) = ( 0.5000000 0.5000000 -0.2249316), wk = 0.0031546 k( 274) = ( 0.5000000 0.5000000 -0.2359343), wk = 0.0031546 k( 275) = ( 0.5000000 0.5000000 -0.2469370), wk = 0.0031546 k( 276) = ( 0.5000000 0.5000000 -0.2579398), wk = 0.0031546 k( 277) = ( 0.5000000 0.5000000 -0.2689425), wk = 0.0031546 k( 278) = ( 0.5000000 0.5000000 -0.2799453), wk = 0.0031546 k( 279) = ( 0.5000000 0.5000000 -0.2909480), wk = 0.0031546 k( 280) = ( 0.5000000 0.5000000 -0.3019507), wk = 0.0031546 k( 281) = ( 0.5000000 0.5000000 -0.3129535), wk = 0.0031546 k( 282) = ( 0.5000000 0.5000000 -0.3239562), wk = 0.0031546 k( 283) = ( 0.5000000 0.5000000 -0.3349589), wk = 0.0031546 k( 284) = ( 0.5000000 0.5000000 -0.3459617), wk = 0.0031546 k( 285) = ( 0.5000000 0.5000000 -0.3569644), wk = 0.0031546 k( 286) = ( 0.5000000 0.5000000 -0.3679672), wk = 0.0031546 k( 287) = ( 0.5000000 0.5000000 -0.3789699), wk = 0.0031546 k( 288) = ( 0.5000000 0.5000000 -0.3899726), wk = 0.0031546 k( 289) = ( 0.5000000 0.5000000 -0.4009754), wk = 0.0031546 k( 290) = ( 0.5000000 0.5000000 -0.4119781), wk = 0.0031546 k( 291) = ( 0.5000000 0.5000000 -0.4229808), wk = 0.0031546 k( 292) = ( 0.5000000 0.5000000 -0.4339836), wk = 0.0031546 k( 293) = ( 0.5000000 0.5000000 -0.4449863), wk = 0.0031546 k( 294) = ( 0.5000000 0.5000000 -0.4559891), wk = 0.0031546 k( 295) = ( 0.5000000 0.5000000 -0.4669918), wk = 0.0031546 k( 296) = ( 0.5000000 0.5000000 -0.4779945), wk = 0.0031546 k( 297) = ( 0.5000000 0.5000000 -0.4889973), wk = 0.0031546 k( 298) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 300) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0031546 k( 301) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0031546 k( 302) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0031546 k( 303) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0031546 k( 304) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0031546 k( 305) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031546 k( 306) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0031546 k( 307) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0031546 k( 308) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031546 k( 309) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0031546 k( 310) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0031546 k( 311) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031546 k( 312) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0031546 k( 313) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0031546 k( 314) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0031546 k( 315) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0031546 k( 316) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0031546 k( 317) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 Dense grid: 75921 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 32373 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 200, 62) NL pseudopotentials 0.35 Mb ( 100, 232) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1581) G-vector shells 0.01 Mb ( 746) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 200, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.44 Mb ( 232, 2, 62) The potential is recalculated from file : ./CuBS2.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 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 49.7 secs Computing kpt #: 4 total cpu time spent up to now is 52.2 secs Computing kpt #: 5 total cpu time spent up to now is 55.0 secs Computing kpt #: 6 total cpu time spent up to now is 58.0 secs Computing kpt #: 7 total cpu time spent up to now is 60.7 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 66.3 secs Computing kpt #: 10 total cpu time spent up to now is 69.1 secs Computing kpt #: 11 total cpu time spent up to now is 72.2 secs Computing kpt #: 12 total cpu time spent up to now is 76.4 secs Computing kpt #: 13 total cpu time spent up to now is 80.0 secs Computing kpt #: 14 total cpu time spent up to now is 82.8 secs Computing kpt #: 15 total cpu time spent up to now is 85.7 secs Computing kpt #: 16 total cpu time spent up to now is 88.8 secs Computing kpt #: 17 total cpu time spent up to now is 91.9 secs Computing kpt #: 18 total cpu time spent up to now is 95.0 secs Computing kpt #: 19 total cpu time spent up to now is 98.1 secs Computing kpt #: 20 total cpu time spent up to now is 101.6 secs Computing kpt #: 21 total cpu time spent up to now is 105.1 secs Computing kpt #: 22 total cpu time spent up to now is 108.1 secs Computing kpt #: 23 total cpu time spent up to now is 111.1 secs Computing kpt #: 24 total cpu time spent up to now is 114.0 secs Computing kpt #: 25 total cpu time spent up to now is 116.9 secs Computing kpt #: 26 total cpu time spent up to now is 119.9 secs Computing kpt #: 27 total cpu time spent up to now is 122.8 secs Computing kpt #: 28 total cpu time spent up to now is 126.0 secs Computing kpt #: 29 total cpu time spent up to now is 128.9 secs Computing kpt #: 30 total cpu time spent up to now is 131.9 secs Computing kpt #: 31 total cpu time spent up to now is 135.0 secs Computing kpt #: 32 total cpu time spent up to now is 138.2 secs Computing kpt #: 33 total cpu time spent up to now is 141.3 secs Computing kpt #: 34 total cpu time spent up to now is 144.6 secs Computing kpt #: 35 total cpu time spent up to now is 147.8 secs Computing kpt #: 36 total cpu time spent up to now is 150.9 secs Computing kpt #: 37 total cpu time spent up to now is 154.1 secs Computing kpt #: 38 total cpu time spent up to now is 157.4 secs Computing kpt #: 39 total cpu time spent up to now is 160.5 secs Computing kpt #: 40 total cpu time spent up to now is 163.7 secs Computing kpt #: 41 total cpu time spent up to now is 166.8 secs Computing kpt #: 42 total cpu time spent up to now is 170.0 secs Computing kpt #: 43 total cpu time spent up to now is 173.4 secs Computing kpt #: 44 total cpu time spent up to now is 176.7 secs Computing kpt #: 45 total cpu time spent up to now is 180.2 secs Computing kpt #: 46 total cpu time spent up to now is 184.9 secs Computing kpt #: 47 total cpu time spent up to now is 188.5 secs Computing kpt #: 48 total cpu time spent up to now is 192.4 secs Computing kpt #: 49 total cpu time spent up to now is 195.9 secs Computing kpt #: 50 total cpu time spent up to now is 199.3 secs Computing kpt #: 51 total cpu time spent up to now is 202.7 secs Computing kpt #: 52 total cpu time spent up to now is 206.2 secs Computing kpt #: 53 total cpu time spent up to now is 209.7 secs Computing kpt #: 54 total cpu time spent up to now is 213.3 secs Computing kpt #: 55 total cpu time spent up to now is 216.8 secs Computing kpt #: 56 total cpu time spent up to now is 220.1 secs Computing kpt #: 57 total cpu time spent up to now is 223.6 secs Computing kpt #: 58 total cpu time spent up to now is 226.9 secs Computing kpt #: 59 total cpu time spent up to now is 230.6 secs Computing kpt #: 60 total cpu time spent up to now is 234.1 secs Computing kpt #: 61 total cpu time spent up to now is 237.4 secs Computing kpt #: 62 total cpu time spent up to now is 241.1 secs Computing kpt #: 63 total cpu time spent up to now is 244.3 secs Computing kpt #: 64 total cpu time spent up to now is 247.5 secs Computing kpt #: 65 total cpu time spent up to now is 250.6 secs Computing kpt #: 66 total cpu time spent up to now is 253.7 secs Computing kpt #: 67 total cpu time spent up to now is 256.6 secs Computing kpt #: 68 total cpu time spent up to now is 259.9 secs Computing kpt #: 69 total cpu time spent up to now is 262.9 secs Computing kpt #: 70 total cpu time spent up to now is 265.9 secs Computing kpt #: 71 total cpu time spent up to now is 268.9 secs Computing kpt #: 72 total cpu time spent up to now is 272.3 secs Computing kpt #: 73 total cpu time spent up to now is 275.4 secs Computing kpt #: 74 total cpu time spent up to now is 278.4 secs Computing kpt #: 75 total cpu time spent up to now is 281.3 secs Computing kpt #: 76 total cpu time spent up to now is 284.3 secs Computing kpt #: 77 total cpu time spent up to now is 287.4 secs Computing kpt #: 78 total cpu time spent up to now is 290.7 secs Computing kpt #: 79 total cpu time spent up to now is 293.7 secs Computing kpt #: 80 total cpu time spent up to now is 296.7 secs Computing kpt #: 81 total cpu time spent up to now is 299.7 secs Computing kpt #: 82 total cpu time spent up to now is 302.6 secs Computing kpt #: 83 total cpu time spent up to now is 305.5 secs Computing kpt #: 84 total cpu time spent up to now is 308.3 secs Computing kpt #: 85 total cpu time spent up to now is 311.3 secs Computing kpt #: 86 total cpu time spent up to now is 314.3 secs Computing kpt #: 87 total cpu time spent up to now is 317.3 secs Computing kpt #: 88 total cpu time spent up to now is 320.7 secs Computing kpt #: 89 total cpu time spent up to now is 324.7 secs Computing kpt #: 90 total cpu time spent up to now is 330.0 secs Computing kpt #: 91 total cpu time spent up to now is 333.8 secs Computing kpt #: 92 total cpu time spent up to now is 337.6 secs Computing kpt #: 93 total cpu time spent up to now is 341.0 secs Computing kpt #: 94 total cpu time spent up to now is 344.3 secs Computing kpt #: 95 total cpu time spent up to now is 347.5 secs Computing kpt #: 96 total cpu time spent up to now is 350.8 secs Computing kpt #: 97 total cpu time spent up to now is 353.9 secs Computing kpt #: 98 total cpu time spent up to now is 356.9 secs Computing kpt #: 99 total cpu time spent up to now is 360.4 secs Computing kpt #: 100 total cpu time spent up to now is 363.6 secs Computing kpt #: 101 total cpu time spent up to now is 367.1 secs Computing kpt #: 102 total cpu time spent up to now is 370.7 secs Computing kpt #: 103 total cpu time spent up to now is 374.9 secs Computing kpt #: 104 total cpu time spent up to now is 378.4 secs Computing kpt #: 105 total cpu time spent up to now is 381.9 secs Computing kpt #: 106 total cpu time spent up to now is 385.3 secs Computing kpt #: 107 total cpu time spent up to now is 388.4 secs Computing kpt #: 108 total cpu time spent up to now is 391.7 secs Computing kpt #: 109 total cpu time spent up to now is 394.8 secs Computing kpt #: 110 total cpu time spent up to now is 398.0 secs Computing kpt #: 111 total cpu time spent up to now is 401.0 secs Computing kpt #: 112 total cpu time spent up to now is 404.1 secs Computing kpt #: 113 total cpu time spent up to now is 407.1 secs Computing kpt #: 114 total cpu time spent up to now is 409.9 secs Computing kpt #: 115 total cpu time spent up to now is 412.7 secs Computing kpt #: 116 total cpu time spent up to now is 415.4 secs Computing kpt #: 117 total cpu time spent up to now is 418.3 secs Computing kpt #: 118 total cpu time spent up to now is 421.1 secs Computing kpt #: 119 total cpu time spent up to now is 423.8 secs Computing kpt #: 120 total cpu time spent up to now is 426.5 secs Computing kpt #: 121 total cpu time spent up to now is 429.3 secs Computing kpt #: 122 total cpu time spent up to now is 432.0 secs Computing kpt #: 123 total cpu time spent up to now is 434.7 secs Computing kpt #: 124 total cpu time spent up to now is 437.2 secs Computing kpt #: 125 total cpu time spent up to now is 439.6 secs Computing kpt #: 126 total cpu time spent up to now is 441.8 secs Computing kpt #: 127 total cpu time spent up to now is 444.5 secs Computing kpt #: 128 total cpu time spent up to now is 446.9 secs Computing kpt #: 129 total cpu time spent up to now is 449.3 secs Computing kpt #: 130 total cpu time spent up to now is 451.6 secs Computing kpt #: 131 total cpu time spent up to now is 454.3 secs Computing kpt #: 132 total cpu time spent up to now is 457.0 secs Computing kpt #: 133 total cpu time spent up to now is 459.9 secs Computing kpt #: 134 total cpu time spent up to now is 462.9 secs Computing kpt #: 135 total cpu time spent up to now is 466.1 secs Computing kpt #: 136 total cpu time spent up to now is 469.0 secs Computing kpt #: 137 total cpu time spent up to now is 471.7 secs Computing kpt #: 138 total cpu time spent up to now is 474.8 secs Computing kpt #: 139 total cpu time spent up to now is 477.6 secs Computing kpt #: 140 total cpu time spent up to now is 480.2 secs Computing kpt #: 141 total cpu time spent up to now is 482.8 secs Computing kpt #: 142 total cpu time spent up to now is 485.4 secs Computing kpt #: 143 total cpu time spent up to now is 488.0 secs Computing kpt #: 144 total cpu time spent up to now is 490.6 secs Computing kpt #: 145 total cpu time spent up to now is 493.3 secs Computing kpt #: 146 total cpu time spent up to now is 496.0 secs Computing kpt #: 147 total cpu time spent up to now is 498.8 secs Computing kpt #: 148 total cpu time spent up to now is 501.4 secs Computing kpt #: 149 total cpu time spent up to now is 504.2 secs Computing kpt #: 150 total cpu time spent up to now is 506.8 secs Computing kpt #: 151 total cpu time spent up to now is 509.7 secs Computing kpt #: 152 total cpu time spent up to now is 512.6 secs Computing kpt #: 153 total cpu time spent up to now is 515.7 secs Computing kpt #: 154 total cpu time spent up to now is 518.5 secs Computing kpt #: 155 total cpu time spent up to now is 521.3 secs Computing kpt #: 156 total cpu time spent up to now is 523.8 secs Computing kpt #: 157 total cpu time spent up to now is 526.6 secs Computing kpt #: 158 total cpu time spent up to now is 529.4 secs Computing kpt #: 159 total cpu time spent up to now is 532.3 secs Computing kpt #: 160 total cpu time spent up to now is 535.9 secs Computing kpt #: 161 total cpu time spent up to now is 539.2 secs Computing kpt #: 162 total cpu time spent up to now is 542.7 secs Computing kpt #: 163 total cpu time spent up to now is 546.2 secs Computing kpt #: 164 total cpu time spent up to now is 549.4 secs Computing kpt #: 165 total cpu time spent up to now is 552.7 secs Computing kpt #: 166 total cpu time spent up to now is 556.6 secs Computing kpt #: 167 total cpu time spent up to now is 560.5 secs Computing kpt #: 168 total cpu time spent up to now is 564.4 secs Computing kpt #: 169 total cpu time spent up to now is 568.5 secs Computing kpt #: 170 total cpu time spent up to now is 572.4 secs Computing kpt #: 171 total cpu time spent up to now is 576.0 secs Computing kpt #: 172 total cpu time spent up to now is 579.6 secs Computing kpt #: 173 total cpu time spent up to now is 583.2 secs Computing kpt #: 174 total cpu time spent up to now is 586.7 secs Computing kpt #: 175 total cpu time spent up to now is 590.1 secs Computing kpt #: 176 total cpu time spent up to now is 593.7 secs Computing kpt #: 177 total cpu time spent up to now is 597.1 secs Computing kpt #: 178 total cpu time spent up to now is 600.3 secs Computing kpt #: 179 total cpu time spent up to now is 603.4 secs Computing kpt #: 180 total cpu time spent up to now is 606.6 secs Computing kpt #: 181 total cpu time spent up to now is 609.8 secs Computing kpt #: 182 total cpu time spent up to now is 613.0 secs Computing kpt #: 183 total cpu time spent up to now is 615.8 secs Computing kpt #: 184 total cpu time spent up to now is 618.7 secs Computing kpt #: 185 total cpu time spent up to now is 621.4 secs Computing kpt #: 186 total cpu time spent up to now is 624.2 secs Computing kpt #: 187 total cpu time spent up to now is 627.1 secs Computing kpt #: 188 total cpu time spent up to now is 630.0 secs Computing kpt #: 189 total cpu time spent up to now is 633.0 secs Computing kpt #: 190 total cpu time spent up to now is 636.1 secs Computing kpt #: 191 total cpu time spent up to now is 639.4 secs Computing kpt #: 192 total cpu time spent up to now is 642.9 secs Computing kpt #: 193 total cpu time spent up to now is 646.3 secs Computing kpt #: 194 total cpu time spent up to now is 649.6 secs Computing kpt #: 195 total cpu time spent up to now is 653.0 secs Computing kpt #: 196 total cpu time spent up to now is 656.4 secs Computing kpt #: 197 total cpu time spent up to now is 659.5 secs Computing kpt #: 198 total cpu time spent up to now is 662.8 secs Computing kpt #: 199 total cpu time spent up to now is 666.0 secs Computing kpt #: 200 total cpu time spent up to now is 669.2 secs Computing kpt #: 201 total cpu time spent up to now is 673.1 secs Computing kpt #: 202 total cpu time spent up to now is 677.8 secs Computing kpt #: 203 total cpu time spent up to now is 681.0 secs Computing kpt #: 204 total cpu time spent up to now is 684.1 secs Computing kpt #: 205 total cpu time spent up to now is 687.1 secs Computing kpt #: 206 total cpu time spent up to now is 690.0 secs Computing kpt #: 207 total cpu time spent up to now is 693.0 secs Computing kpt #: 208 total cpu time spent up to now is 695.9 secs Computing kpt #: 209 total cpu time spent up to now is 698.7 secs Computing kpt #: 210 total cpu time spent up to now is 701.7 secs Computing kpt #: 211 total cpu time spent up to now is 704.6 secs Computing kpt #: 212 total cpu time spent up to now is 707.5 secs Computing kpt #: 213 total cpu time spent up to now is 710.3 secs Computing kpt #: 214 total cpu time spent up to now is 713.2 secs Computing kpt #: 215 total cpu time spent up to now is 716.1 secs Computing kpt #: 216 total cpu time spent up to now is 718.9 secs Computing kpt #: 217 total cpu time spent up to now is 721.7 secs Computing kpt #: 218 total cpu time spent up to now is 724.6 secs Computing kpt #: 219 total cpu time spent up to now is 727.9 secs Computing kpt #: 220 total cpu time spent up to now is 731.3 secs Computing kpt #: 221 total cpu time spent up to now is 734.7 secs Computing kpt #: 222 total cpu time spent up to now is 738.9 secs Computing kpt #: 223 total cpu time spent up to now is 742.4 secs Computing kpt #: 224 total cpu time spent up to now is 746.0 secs Computing kpt #: 225 total cpu time spent up to now is 750.0 secs Computing kpt #: 226 total cpu time spent up to now is 753.4 secs Computing kpt #: 227 total cpu time spent up to now is 756.6 secs Computing kpt #: 228 total cpu time spent up to now is 759.7 secs Computing kpt #: 229 total cpu time spent up to now is 763.1 secs Computing kpt #: 230 total cpu time spent up to now is 766.0 secs Computing kpt #: 231 total cpu time spent up to now is 769.3 secs Computing kpt #: 232 total cpu time spent up to now is 772.2 secs Computing kpt #: 233 total cpu time spent up to now is 775.4 secs Computing kpt #: 234 total cpu time spent up to now is 778.3 secs Computing kpt #: 235 total cpu time spent up to now is 781.4 secs Computing kpt #: 236 total cpu time spent up to now is 784.2 secs Computing kpt #: 237 total cpu time spent up to now is 787.1 secs Computing kpt #: 238 total cpu time spent up to now is 790.2 secs Computing kpt #: 239 total cpu time spent up to now is 793.4 secs Computing kpt #: 240 total cpu time spent up to now is 796.5 secs Computing kpt #: 241 total cpu time spent up to now is 799.7 secs Computing kpt #: 242 total cpu time spent up to now is 803.2 secs Computing kpt #: 243 total cpu time spent up to now is 806.7 secs Computing kpt #: 244 total cpu time spent up to now is 810.2 secs Computing kpt #: 245 total cpu time spent up to now is 813.5 secs Computing kpt #: 246 total cpu time spent up to now is 816.6 secs Computing kpt #: 247 total cpu time spent up to now is 819.7 secs Computing kpt #: 248 total cpu time spent up to now is 822.8 secs Computing kpt #: 249 total cpu time spent up to now is 825.9 secs Computing kpt #: 250 total cpu time spent up to now is 829.1 secs Computing kpt #: 251 total cpu time spent up to now is 832.2 secs Computing kpt #: 252 total cpu time spent up to now is 835.2 secs Computing kpt #: 253 total cpu time spent up to now is 838.3 secs Computing kpt #: 254 total cpu time spent up to now is 841.7 secs Computing kpt #: 255 total cpu time spent up to now is 844.9 secs Computing kpt #: 256 total cpu time spent up to now is 847.8 secs Computing kpt #: 257 total cpu time spent up to now is 850.9 secs Computing kpt #: 258 total cpu time spent up to now is 854.0 secs Computing kpt #: 259 total cpu time spent up to now is 857.3 secs Computing kpt #: 260 total cpu time spent up to now is 860.4 secs Computing kpt #: 261 total cpu time spent up to now is 864.0 secs Computing kpt #: 262 total cpu time spent up to now is 867.4 secs Computing kpt #: 263 total cpu time spent up to now is 870.5 secs Computing kpt #: 264 total cpu time spent up to now is 873.8 secs Computing kpt #: 265 total cpu time spent up to now is 877.1 secs Computing kpt #: 266 total cpu time spent up to now is 880.4 secs Computing kpt #: 267 total cpu time spent up to now is 883.9 secs Computing kpt #: 268 total cpu time spent up to now is 887.4 secs Computing kpt #: 269 total cpu time spent up to now is 890.7 secs Computing kpt #: 270 total cpu time spent up to now is 894.1 secs Computing kpt #: 271 total cpu time spent up to now is 898.3 secs Computing kpt #: 272 total cpu time spent up to now is 901.7 secs Computing kpt #: 273 total cpu time spent up to now is 905.1 secs Computing kpt #: 274 total cpu time spent up to now is 909.0 secs Computing kpt #: 275 total cpu time spent up to now is 912.5 secs Computing kpt #: 276 total cpu time spent up to now is 916.1 secs Computing kpt #: 277 total cpu time spent up to now is 919.7 secs Computing kpt #: 278 total cpu time spent up to now is 923.3 secs Computing kpt #: 279 total cpu time spent up to now is 927.3 secs Computing kpt #: 280 total cpu time spent up to now is 930.9 secs Computing kpt #: 281 total cpu time spent up to now is 934.5 secs Computing kpt #: 282 total cpu time spent up to now is 938.3 secs Computing kpt #: 283 total cpu time spent up to now is 941.8 secs Computing kpt #: 284 total cpu time spent up to now is 945.7 secs Computing kpt #: 285 total cpu time spent up to now is 949.2 secs Computing kpt #: 286 total cpu time spent up to now is 953.1 secs Computing kpt #: 287 total cpu time spent up to now is 956.7 secs Computing kpt #: 288 total cpu time spent up to now is 960.4 secs Computing kpt #: 289 total cpu time spent up to now is 964.5 secs Computing kpt #: 290 total cpu time spent up to now is 968.2 secs Computing kpt #: 291 total cpu time spent up to now is 972.0 secs Computing kpt #: 292 total cpu time spent up to now is 977.4 secs Computing kpt #: 293 total cpu time spent up to now is 981.3 secs Computing kpt #: 294 total cpu time spent up to now is 984.9 secs Computing kpt #: 295 total cpu time spent up to now is 988.6 secs Computing kpt #: 296 total cpu time spent up to now is 992.2 secs Computing kpt #: 297 total cpu time spent up to now is 995.8 secs Computing kpt #: 298 total cpu time spent up to now is 999.0 secs Computing kpt #: 299 total cpu time spent up to now is 1002.8 secs Computing kpt #: 300 total cpu time spent up to now is 1006.3 secs Computing kpt #: 301 total cpu time spent up to now is 1011.5 secs Computing kpt #: 302 total cpu time spent up to now is 1015.5 secs Computing kpt #: 303 total cpu time spent up to now is 1018.9 secs Computing kpt #: 304 total cpu time spent up to now is 1022.7 secs Computing kpt #: 305 total cpu time spent up to now is 1026.2 secs Computing kpt #: 306 total cpu time spent up to now is 1029.6 secs Computing kpt #: 307 total cpu time spent up to now is 1033.4 secs Computing kpt #: 308 total cpu time spent up to now is 1037.0 secs Computing kpt #: 309 total cpu time spent up to now is 1040.9 secs Computing kpt #: 310 total cpu time spent up to now is 1044.4 secs Computing kpt #: 311 total cpu time spent up to now is 1047.9 secs Computing kpt #: 312 total cpu time spent up to now is 1051.5 secs Computing kpt #: 313 total cpu time spent up to now is 1055.0 secs Computing kpt #: 314 total cpu time spent up to now is 1058.5 secs Computing kpt #: 315 total cpu time spent up to now is 1062.3 secs Computing kpt #: 316 total cpu time spent up to now is 1066.0 secs Computing kpt #: 317 total cpu time spent up to now is 1069.6 secs ethr = 1.92E-11, avg # of iterations = 39.4 total cpu time spent up to now is 1069.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -7.7733 -7.7733 -4.8789 -4.8789 -4.8757 -4.8757 -4.7535 -4.7535 -1.3814 -1.3814 1.9250 1.9250 1.9519 1.9519 1.9594 1.9594 2.1014 2.1014 2.7676 2.7676 3.3707 3.3707 4.7674 4.7674 4.7793 4.7793 5.3396 5.3396 5.3408 5.3408 5.3761 5.3761 6.3844 6.3844 6.7407 6.7407 6.7737 6.7737 6.8515 6.8515 6.9988 6.9988 7.0377 7.0377 7.2948 7.2948 8.3782 8.3782 8.4011 8.4011 8.6712 8.6712 10.3370 10.3370 11.4645 11.4645 11.9130 11.9130 11.9262 11.9262 11.9427 11.9427 k = 0.0000 0.0000 0.0178 ( 4089 PWs) bands (ev): -7.7725 -7.7725 -4.8802 -4.8801 -4.8768 -4.8768 -4.7534 -4.7534 -1.3801 -1.3800 1.8705 1.8848 1.9502 1.9544 1.9908 2.0085 2.1069 2.1137 2.7676 2.7676 3.3720 3.3739 4.7663 4.7669 4.7771 4.7795 5.3219 5.3312 5.3443 5.3582 5.3654 5.3903 6.3838 6.3857 6.7340 6.7429 6.7678 6.7810 6.8441 6.8597 6.9840 7.0065 7.0340 7.0472 7.2938 7.2972 8.3736 8.3754 8.3969 8.3991 8.6691 8.6703 10.3400 10.3419 11.4684 11.4691 11.9165 11.9167 11.9279 11.9291 11.9437 11.9452 k = 0.0000 0.0000 0.0356 ( 4087 PWs) bands (ev): -7.7699 -7.7699 -4.8845 -4.8844 -4.8793 -4.8793 -4.7532 -4.7532 -1.3763 -1.3761 1.8079 1.8199 1.9499 1.9532 2.0295 2.0487 2.1370 2.1458 2.7674 2.7675 3.3778 3.3817 4.7632 4.7645 4.7733 4.7781 5.3025 5.3171 5.3464 5.3572 5.3767 5.4057 6.3838 6.3876 6.7224 6.7424 6.7645 6.7862 6.8393 6.8674 6.9662 7.0040 7.0396 7.0584 7.2943 7.3010 8.3584 8.3630 8.3903 8.3934 8.6640 8.6662 10.3507 10.3544 11.4806 11.4820 11.9246 11.9256 11.9361 11.9361 11.9493 11.9531 k = 0.0000 0.0000 0.0535 ( 4079 PWs) bands (ev): -7.7657 -7.7657 -4.8923 -4.8923 -4.8828 -4.8826 -4.7531 -4.7530 -1.3699 -1.3697 1.7439 1.7544 1.9482 1.9518 2.0558 2.0704 2.1914 2.1966 2.7671 2.7672 3.3881 3.3938 4.7576 4.7599 4.7686 4.7753 5.2821 5.2990 5.3469 5.3522 5.3941 5.4215 6.3846 6.3900 6.7073 6.7400 6.7632 6.7868 6.8389 6.8736 6.9465 6.9981 7.0485 7.0702 7.2963 7.3062 8.3309 8.3386 8.3840 8.3877 8.6554 8.6585 10.3686 10.3739 11.5012 11.5034 11.9326 11.9352 11.9468 11.9471 11.9661 11.9709 k = 0.0000 0.0000 0.0713 ( 4067 PWs) bands (ev): -7.7598 -7.7598 -4.9032 -4.9032 -4.8873 -4.8871 -4.7532 -4.7530 -1.3610 -1.3607 1.6798 1.6890 1.9459 1.9499 2.0764 2.0867 2.2561 2.2578 2.7665 2.7666 3.4027 3.4103 4.7491 4.7528 4.7636 4.7716 5.2604 5.2779 5.3466 5.3481 5.4115 5.4375 6.3861 6.3929 6.6905 6.7361 6.7627 6.7830 6.8425 6.8770 6.9260 6.9933 7.0571 7.0821 7.2999 7.3129 8.2935 8.3037 8.3775 8.3819 8.6427 8.6465 10.3931 10.3997 11.5300 11.5331 11.9413 11.9442 11.9577 11.9600 11.9956 11.9993 k = 0.0000 0.0000 0.0891 ( 4075 PWs) bands (ev): -7.7522 -7.7521 -4.9168 -4.9168 -4.8930 -4.8926 -4.7536 -4.7534 -1.3496 -1.3493 1.6159 1.6242 1.9431 1.9477 2.0962 2.1036 2.3237 2.3243 2.7654 2.7656 3.4215 3.4310 4.7379 4.7432 4.7582 4.7673 5.2372 5.2546 5.3441 5.3454 5.4288 5.4535 6.3882 6.3958 6.6727 6.7306 6.7624 6.7767 6.8476 6.8769 6.9056 6.9913 7.0647 7.0937 7.3049 7.3208 8.2483 8.2605 8.3700 8.3753 8.6255 8.6299 10.4232 10.4307 11.5668 11.5708 11.9516 11.9543 11.9704 11.9756 12.0329 12.0354 k = 0.0000 0.0000 0.1069 ( 4075 PWs) bands (ev): -7.7429 -7.7429 -4.9330 -4.9329 -4.8998 -4.8993 -4.7546 -4.7543 -1.3359 -1.3355 1.5526 1.5602 1.9402 1.9454 2.1175 2.1227 2.3920 2.3941 2.7636 2.7639 3.4444 3.4556 4.7247 4.7315 4.7523 4.7622 5.2124 5.2293 5.3401 5.3437 5.4463 5.4696 6.3908 6.3987 6.6549 6.7237 6.7622 6.7694 6.8515 6.8733 6.8874 6.9922 7.0712 7.1051 7.3114 7.3300 8.1972 8.2111 8.3614 8.3677 8.6039 8.6088 10.4577 10.4658 11.6107 11.6156 11.9645 11.9671 11.9851 11.9927 12.0754 12.0765 k = 0.0000 0.0000 0.1248 ( 4073 PWs) bands (ev): -7.7320 -7.7319 -4.9514 -4.9512 -4.9076 -4.9071 -4.7563 -4.7559 -1.3200 -1.3195 1.4900 1.4970 1.9373 1.9431 2.1408 2.1443 2.4615 2.4647 2.7609 2.7612 3.4711 3.4840 4.7098 4.7181 4.7457 4.7563 5.1858 5.2019 5.3359 5.3416 5.4638 5.4857 6.3940 6.4013 6.6375 6.7155 6.7617 6.7619 6.8490 6.8667 6.8765 6.9955 7.0769 7.1160 7.3193 7.3404 8.1419 8.1570 8.3516 8.3591 8.5779 8.5834 10.4956 10.5039 11.6602 11.6659 11.9820 11.9846 12.0012 12.0107 12.1208 12.1212 k = 0.0000 0.0000 0.1426 ( 4075 PWs) bands (ev): -7.7194 -7.7193 -4.9720 -4.9717 -4.9165 -4.9159 -4.7587 -4.7581 -1.3018 -1.3012 1.4283 1.4348 1.9346 1.9410 2.1664 2.1687 2.5319 2.5358 2.7569 2.7573 3.5015 3.5160 4.6940 4.7034 4.7382 4.7494 5.1574 5.1725 5.3316 5.3390 5.4813 5.5019 6.3975 6.4032 6.6213 6.7064 6.7535 6.7615 6.8377 6.8580 6.8760 7.0002 7.0821 7.1262 7.3288 7.3520 8.0838 8.0998 8.3407 8.3493 8.5479 8.5541 10.5359 10.5440 11.7125 11.7188 12.0061 12.0092 12.0187 12.0288 12.1669 12.1692 k = 0.0000 0.0000 0.1604 ( 4061 PWs) bands (ev): -7.7051 -7.7051 -4.9945 -4.9941 -4.9263 -4.9257 -4.7618 -4.7612 -1.2816 -1.2809 1.3676 1.3735 1.9325 1.9394 2.1944 2.1955 2.6027 2.6070 2.7515 2.7520 3.5353 3.5513 4.6775 4.6881 4.7299 4.7416 5.1273 5.1412 5.3272 5.3360 5.4988 5.5180 6.4014 6.4044 6.6068 6.6967 6.7444 6.7609 6.8248 6.8482 6.8794 7.0054 7.0871 7.1356 7.3397 7.3647 8.0242 8.0406 8.3286 8.3385 8.5147 8.5215 10.5777 10.5853 11.7633 11.7696 12.0294 12.0404 12.0483 12.0509 12.2142 12.2183 k = 0.0000 0.0000 0.1782 ( 4049 PWs) bands (ev): -7.6893 -7.6892 -5.0188 -5.0183 -4.9370 -4.9363 -4.7658 -4.7650 -1.2594 -1.2586 1.3079 1.3134 1.9310 1.9385 2.2244 2.2246 2.6737 2.6776 2.7448 2.7449 3.5722 3.5898 4.6610 4.6725 4.7206 4.7326 5.0954 5.1081 5.3226 5.3328 5.5161 5.5339 6.4045 6.4055 6.5944 6.6868 6.7345 6.7600 6.8138 6.8377 6.8832 7.0105 7.0919 7.1440 7.3520 7.3783 7.9644 7.9809 8.3154 8.3267 8.4787 8.4863 10.6203 10.6272 11.8078 11.8135 12.0448 12.0586 12.0999 12.1009 12.2623 12.2680 k = 0.0000 0.0000 0.1961 ( 4047 PWs) bands (ev): -7.6718 -7.6718 -5.0448 -5.0443 -4.9485 -4.9478 -4.7706 -4.7696 -1.2354 -1.2345 1.2493 1.2544 1.9304 1.9385 2.2557 2.2563 2.7280 2.7354 2.7449 2.7564 3.6122 3.6312 4.6450 4.6572 4.7101 4.7223 5.0620 5.0735 5.3179 5.3293 5.5332 5.5495 6.4035 6.4098 6.5843 6.6768 6.7240 6.7587 6.8053 6.8271 6.8869 7.0148 7.0967 7.1509 7.3657 7.3929 7.9056 7.9216 8.3011 8.3138 8.4407 8.4493 10.6632 10.6693 11.8433 11.8478 12.0577 12.0719 12.1692 12.1722 12.3111 12.3184 k = 0.0000 0.0000 0.2139 ( 4049 PWs) bands (ev): -7.6528 -7.6528 -5.0724 -5.0717 -4.9607 -4.9599 -4.7762 -4.7751 -1.2096 -1.2086 1.1919 1.1965 1.9310 1.9396 2.2885 2.2898 2.7199 2.7238 2.8159 2.8237 3.6549 3.6752 4.6299 4.6427 4.6984 4.7103 5.0275 5.0376 5.3130 5.3255 5.5498 5.5646 6.4013 6.4142 6.5766 6.6671 6.7139 6.7570 6.7989 6.8167 6.8901 7.0182 7.1011 7.1559 7.3806 7.4081 7.8490 7.8640 8.2857 8.2999 8.4016 8.4112 10.7062 10.7114 11.8704 11.8738 12.0685 12.0827 12.2543 12.2590 12.3608 12.3691 k = 0.0000 0.0000 0.2317 ( 4061 PWs) bands (ev): -7.6322 -7.6322 -5.1014 -5.1007 -4.9735 -4.9727 -4.7827 -4.7815 -1.1823 -1.1812 1.1356 1.1399 1.9328 1.9420 2.3227 2.3246 2.7057 2.7095 2.8868 2.8943 3.7001 3.7217 4.6163 4.6295 4.6850 4.6965 4.9923 5.0009 5.3080 5.3215 5.5657 5.5789 6.3983 6.4186 6.5712 6.6579 6.7046 6.7547 6.7941 6.8067 6.8930 7.0207 7.1051 7.1586 7.3966 7.4239 7.7956 7.8090 8.2691 8.2848 8.3622 8.3729 10.7492 10.7534 11.8915 11.8941 12.0771 12.0911 12.3509 12.3571 12.4112 12.4204 k = 0.0000 0.0000 0.2495 ( 4061 PWs) bands (ev): -7.6101 -7.6101 -5.1317 -5.1310 -4.9868 -4.9860 -4.7900 -4.7887 -1.1535 -1.1523 1.0806 1.0845 1.9360 1.9457 2.3578 2.3603 2.6883 2.6926 2.9574 2.9649 3.7476 3.7704 4.6044 4.6181 4.6696 4.6802 4.9572 4.9641 5.3028 5.3172 5.5808 5.5924 6.3949 6.4233 6.5677 6.6494 6.6969 6.7517 6.7906 6.7974 6.8957 7.0224 7.1082 7.1585 7.4138 7.4401 7.7468 7.7578 8.2511 8.2682 8.3238 8.3355 10.7922 10.7953 11.9089 11.9107 12.0837 12.0972 12.4530 12.4621 12.4642 12.4721 k = 0.0000 0.0000 0.2674 ( 4057 PWs) bands (ev): -7.5864 -7.5864 -5.1633 -5.1625 -5.0006 -4.9998 -4.7981 -4.7967 -1.1233 -1.1220 1.0268 1.0304 1.9407 1.9510 2.3934 2.3964 2.6681 2.6729 3.0275 3.0351 3.7972 3.8210 4.5947 4.6087 4.6519 4.6610 4.9230 4.9280 5.2975 5.3127 5.5948 5.6045 6.3918 6.4283 6.5656 6.6419 6.6908 6.7478 6.7878 6.7892 6.8982 7.0234 7.1100 7.1552 7.4320 7.4562 7.7036 7.7114 8.2315 8.2492 8.2882 8.3002 10.8352 10.8373 11.9239 11.9253 12.0882 12.1011 12.5125 12.5236 12.5640 12.5710 k = 0.0000 0.0000 0.2852 ( 4053 PWs) bands (ev): -7.5613 -7.5613 -5.1960 -5.1951 -5.0147 -5.0139 -4.8071 -4.8055 -1.0919 -1.0904 0.9743 0.9776 1.9471 1.9580 2.4291 2.4324 2.6452 2.6505 3.0970 3.1046 3.8485 3.8734 4.5872 4.6016 4.6314 4.6383 4.8907 4.8933 5.2921 5.3080 5.6074 5.6152 6.3892 6.4335 6.5644 6.6357 6.6865 6.7429 6.7822 6.7855 6.9006 7.0240 7.1102 7.1481 7.4509 7.4718 7.6671 7.6705 8.2096 8.2254 8.2585 8.2683 10.8784 10.8794 11.9377 11.9387 12.0907 12.1029 12.5640 12.5751 12.6722 12.6796 k = 0.0000 0.0000 0.3030 ( 4049 PWs) bands (ev): -7.5347 -7.5347 -5.2296 -5.2287 -5.0291 -5.0283 -4.8168 -4.8152 -1.0593 -1.0578 0.9232 0.9262 1.9551 1.9666 2.4641 2.4679 2.6198 2.6256 3.1657 3.1733 3.9014 3.9273 4.5816 4.5969 4.6081 4.6115 4.8611 4.8612 5.2865 5.3031 5.6185 5.6242 6.3877 6.4392 6.5635 6.6308 6.6838 6.7371 6.7765 6.7836 6.9031 7.0243 7.1086 7.1372 7.4703 7.4860 7.6356 7.6381 8.1856 8.1967 8.2356 8.2406 10.9219 10.9219 11.9508 11.9514 12.0912 12.1026 12.6150 12.6261 12.7775 12.7850 k = 0.0000 0.0000 0.3208 ( 4069 PWs) bands (ev): -7.5068 -7.5067 -5.2643 -5.2633 -5.0436 -5.0428 -4.8274 -4.8257 -1.0256 -1.0241 0.8734 0.8761 1.9649 1.9770 2.4976 2.5021 2.5924 2.5986 3.2335 3.2410 3.9557 3.9824 4.5716 4.5806 4.5878 4.5946 4.8322 4.8350 5.2807 5.2979 5.6275 5.6310 6.3874 6.4453 6.5622 6.6273 6.6825 6.7304 6.7720 6.7818 6.9058 7.0244 7.1054 7.1228 7.4898 7.4978 7.6068 7.6177 8.1604 8.1668 8.2166 8.2169 10.9649 10.9659 11.9635 11.9639 12.0899 12.1004 12.6650 12.6760 12.8764 12.8837 k = 0.0000 0.0000 0.3386 ( 4061 PWs) bands (ev): -7.4774 -7.4773 -5.2997 -5.2988 -5.0581 -5.0573 -4.8387 -4.8369 -0.9911 -0.9894 0.8250 0.8275 1.9762 1.9891 2.5269 2.5339 2.5657 2.5705 3.3001 3.3074 4.0109 4.0384 4.5439 4.5460 4.5841 4.5948 4.8070 4.8126 5.2747 5.2925 5.6345 5.6357 6.3889 6.4519 6.5604 6.6255 6.6827 6.7235 6.7686 6.7801 6.9090 7.0246 7.1013 7.1057 7.5063 7.5089 7.5843 7.6063 8.1357 8.1387 8.1966 8.1995 11.0084 11.0103 11.9761 11.9763 12.0867 12.0963 12.7135 12.7244 12.9656 12.9728 k = 0.0000 0.0000 0.3565 ( 4049 PWs) bands (ev): -7.4467 -7.4466 -5.3359 -5.3350 -5.0726 -5.0719 -4.8507 -4.8489 -0.9556 -0.9539 0.7780 0.7802 1.9891 2.0028 2.5245 2.5369 2.5670 2.5675 3.3654 3.3724 4.0669 4.0951 4.5082 4.5095 4.5861 4.5973 4.7857 4.7938 5.2686 5.2868 5.6378 5.6391 6.3923 6.4591 6.5575 6.6252 6.6841 6.7168 6.7661 6.7783 6.9128 7.0250 7.0871 7.0968 7.5111 7.5257 7.5687 7.6033 8.1131 8.1137 8.1787 8.1836 11.0525 11.0554 11.9887 11.9888 12.0817 12.0904 12.7600 12.7704 13.0375 13.0495 k = 0.0000 0.0000 0.3743 ( 4039 PWs) bands (ev): -7.4147 -7.4146 -5.3728 -5.3719 -5.0870 -5.0862 -4.8635 -4.8617 -0.9194 -0.9177 0.7324 0.7343 2.0032 2.0178 2.4952 2.5071 2.5916 2.5935 3.4291 3.4358 4.1234 4.1522 4.4681 4.4722 4.5908 4.6017 4.7681 4.7785 5.2623 5.2809 5.6374 5.6412 6.3975 6.4668 6.5534 6.6263 6.6867 6.7108 6.7644 6.7763 6.9174 7.0257 7.0686 7.0927 7.5131 7.5336 7.5653 7.6062 8.0924 8.0938 8.1630 8.1689 11.0974 11.1011 12.0014 12.0015 12.0748 12.0826 12.8035 12.8135 13.0144 13.0261 k = 0.0000 0.0000 0.3921 ( 4039 PWs) bands (ev): -7.3814 -7.3813 -5.4104 -5.4095 -5.1011 -5.1004 -4.8769 -4.8751 -0.8825 -0.8808 0.6881 0.6897 2.0182 2.0338 2.4639 2.4766 2.6145 2.6167 3.4911 3.4973 4.1801 4.2093 4.4268 4.4331 4.5974 4.6080 4.7540 4.7662 5.2559 5.2748 5.6341 5.6404 6.4046 6.4748 6.5479 6.6286 6.6903 6.7061 6.7631 6.7738 6.9230 7.0268 7.0514 7.0898 7.5141 7.5288 7.5766 7.6122 8.0749 8.0783 8.1496 8.1559 11.1428 11.1475 12.0142 12.0145 12.0662 12.0731 12.8432 12.8526 12.9846 12.9959 k = 0.0000 0.0000 0.4099 ( 4043 PWs) bands (ev): -7.3469 -7.3468 -5.4485 -5.4477 -5.1149 -5.1143 -4.8909 -4.8892 -0.8451 -0.8433 0.6452 0.6466 2.0334 2.0501 2.4335 2.4474 2.6333 2.6355 3.5511 3.5567 4.2366 4.2662 4.3849 4.3930 4.6056 4.6157 4.7432 4.7570 5.2494 5.2685 5.6282 5.6368 6.4135 6.4830 6.5415 6.6319 6.6948 6.7028 6.7623 6.7708 6.9296 7.0283 7.0371 7.0885 7.5154 7.5210 7.5916 7.6187 8.0614 8.0670 8.1387 8.1449 11.1889 11.1943 12.0270 12.0276 12.0558 12.0617 12.8783 12.8868 12.9550 12.9661 k = 0.0000 0.0000 0.4278 ( 4055 PWs) bands (ev): -7.3112 -7.3111 -5.4872 -5.4864 -5.1283 -5.1277 -4.9056 -4.9039 -0.8072 -0.8054 0.6037 0.6049 2.0478 2.0655 2.4059 2.4209 2.6472 2.6492 3.6090 3.6140 4.2925 4.3223 4.3432 4.3528 4.6149 4.6245 4.7357 4.7508 5.2428 5.2621 5.6196 5.6304 6.4241 6.4912 6.5345 6.6359 6.7001 6.7010 6.7618 6.7673 6.9373 7.0268 7.0304 7.0893 7.5139 7.5176 7.6058 7.6243 8.0518 8.0596 8.1309 8.1365 11.2354 11.2416 12.0377 12.0401 12.0458 12.0491 12.9073 12.9142 12.9261 12.9376 k = 0.0000 0.0000 0.4456 ( 4054 PWs) bands (ev): -7.2745 -7.2742 -5.5263 -5.5256 -5.1412 -5.1407 -4.9207 -4.9191 -0.7688 -0.7671 0.5636 0.5645 2.0601 2.0786 2.3832 2.3992 2.6554 2.6573 3.6647 3.6691 4.3012 4.3120 4.3483 4.3782 4.6249 4.6340 4.7315 4.7476 5.2362 5.2556 5.6086 5.6213 6.4364 6.4995 6.5278 6.6402 6.7007 6.7062 6.7616 6.7636 6.9459 7.0216 7.0329 7.0925 7.5083 7.5211 7.6180 7.6281 8.0458 8.0562 8.1265 8.1310 11.2821 11.2891 12.0274 12.0322 12.0547 12.0551 12.8963 12.9055 12.9311 12.9390 k = 0.0000 0.0000 0.4634 ( 4056 PWs) bands (ev): -7.2366 -7.2364 -5.5659 -5.5653 -5.1536 -5.1531 -4.9364 -4.9348 -0.7301 -0.7284 0.5248 0.5255 2.0684 2.0871 2.3680 2.3844 2.6577 2.6592 3.7182 3.7218 4.2601 4.2717 4.4025 4.4324 4.6353 4.6438 4.7308 4.7477 5.2298 5.2491 5.5953 5.6097 6.4500 6.5075 6.5218 6.6445 6.7018 6.7131 6.7598 6.7616 6.9548 7.0225 7.0357 7.0982 7.5044 7.5261 7.6273 7.6295 8.0433 8.0560 8.1259 8.1287 11.3288 11.3365 12.0109 12.0147 12.0675 12.0681 12.8679 12.8772 12.9464 12.9529 k = 0.0000 0.0000 0.4812 ( 4052 PWs) bands (ev): -7.1977 -7.1974 -5.6059 -5.6054 -5.1654 -5.1649 -4.9524 -4.9509 -0.6911 -0.6896 0.4873 0.4878 2.0710 2.0888 2.3630 2.3788 2.6535 2.6548 3.7695 3.7723 4.2191 4.2312 4.4555 4.4852 4.6456 4.6536 4.7337 4.7512 5.2236 5.2427 5.5801 5.5959 6.4645 6.5151 6.5172 6.6485 6.7038 6.7203 6.7566 6.7617 6.9632 7.0302 7.0387 7.1066 7.5027 7.5330 7.6285 7.6334 8.0440 8.0588 8.1291 8.1296 11.3750 11.3834 11.9917 11.9947 12.0801 12.0809 12.8397 12.8486 12.9540 12.9594 k = 0.0000 0.0000 0.4991 ( 4052 PWs) bands (ev): -7.1579 -7.1575 -5.6464 -5.6460 -5.1764 -5.1760 -4.9687 -4.9673 -0.6520 -0.6506 0.4511 0.4514 2.0670 2.0828 2.3695 2.3836 2.6430 2.6441 3.8188 3.8207 4.1780 4.1901 4.5069 4.5362 4.6556 4.6630 4.7400 4.7580 5.2176 5.2364 5.5632 5.5802 6.4795 6.5144 6.5224 6.6519 6.7067 6.7276 6.7545 6.7618 6.9708 7.0414 7.0446 7.1176 7.5037 7.5422 7.6252 7.6362 8.0477 8.0639 8.1336 8.1359 11.4203 11.4294 11.9698 11.9720 12.0918 12.0927 12.8116 12.8201 12.9536 12.9581 k = 0.0000 0.0000 0.5169 ( 4048 PWs) bands (ev): -7.1171 -7.1167 -5.6873 -5.6870 -5.1866 -5.1863 -4.9853 -4.9840 -0.6128 -0.6115 0.4161 0.4162 2.0569 2.0701 2.3868 2.3986 2.6263 2.6271 3.8661 3.8669 4.1365 4.1482 4.5565 4.5850 4.6649 4.6715 4.7499 4.7683 5.2122 5.2306 5.5451 5.5631 6.4944 6.5142 6.5293 6.6546 6.7104 6.7342 6.7541 6.7619 6.9776 7.0436 7.0646 7.1312 7.5079 7.5541 7.6202 7.6361 8.0542 8.0711 8.1402 8.1458 11.4639 11.4736 11.9449 11.9463 12.1020 12.1029 12.7835 12.7915 12.9457 12.9494 k = 0.0000 0.0000 0.5347 ( 4050 PWs) bands (ev): -7.0755 -7.0751 -5.7285 -5.7283 -5.1960 -5.1958 -5.0020 -5.0008 -0.5737 -0.5725 0.3822 0.3822 2.0425 2.0530 2.4130 2.4225 2.6038 2.6044 3.9109 3.9115 4.0946 4.1052 4.6040 4.6307 4.6740 4.6788 4.7629 4.7815 5.2073 5.2251 5.5261 5.5449 6.5068 6.5183 6.5358 6.6565 6.7145 6.7396 6.7562 6.7618 6.9839 7.0453 7.0891 7.1469 7.5155 7.5689 7.6143 7.6337 8.0630 8.0800 8.1489 8.1581 11.5049 11.5151 11.9168 11.9175 12.1098 12.1107 12.7552 12.7625 12.9313 12.9346 k = 0.0000 0.0000 0.5525 ( 4054 PWs) bands (ev): -7.0331 -7.0327 -5.7702 -5.7701 -5.2046 -5.2044 -5.0188 -5.0178 -0.5347 -0.5336 0.3493 0.3495 2.0257 2.0338 2.4460 2.4537 2.5761 2.5764 3.9506 3.9542 4.0541 4.0616 4.6491 4.6666 4.6847 4.6887 4.7786 4.7975 5.2032 5.2203 5.5067 5.5261 6.5137 6.5295 6.5420 6.6577 6.7190 6.7437 6.7607 6.7617 6.9899 7.0464 7.1165 7.1639 7.5268 7.5867 7.6084 7.6301 8.0735 8.0902 8.1591 8.1721 11.5420 11.5528 11.8852 11.8852 12.1142 12.1151 12.7264 12.7329 12.9120 12.9151 k = 0.0000 0.0000 0.5703 ( 4050 PWs) bands (ev): -6.9900 -6.9895 -5.8122 -5.8122 -5.2121 -5.2120 -5.0356 -5.0347 -0.4959 -0.4950 0.3174 0.3178 2.0083 2.0144 2.4838 2.4905 2.5439 2.5443 3.9697 3.9837 4.0282 4.0311 4.6778 4.6846 4.6956 4.7234 4.7965 4.8155 5.2001 5.2162 5.4870 5.5070 6.5196 6.5430 6.5480 6.6580 6.7238 6.7476 6.7615 6.7666 6.9955 7.0470 7.1453 7.1813 7.5418 7.6038 7.6078 7.6269 8.0854 8.1015 8.1703 8.1871 11.5736 11.5849 11.8492 11.8500 12.1147 12.1153 12.6968 12.7023 12.8898 12.8930 k = 0.0000 0.0000 0.5882 ( 4038 PWs) bands (ev): -6.9462 -6.9457 -5.8547 -5.8546 -5.2187 -5.2187 -5.0522 -5.0514 -0.4574 -0.4567 0.2865 0.2871 1.9916 1.9961 2.5034 2.5075 2.5312 2.5320 3.9387 3.9535 4.0510 4.0553 4.6807 4.6882 4.7337 4.7615 4.8160 4.8351 5.1980 5.2130 5.4673 5.4878 6.5265 6.5539 6.5563 6.6577 6.7287 6.7520 6.7613 6.7730 7.0008 7.0472 7.1738 7.1977 7.5599 7.6023 7.6263 7.6316 8.0979 8.1134 8.1820 8.2025 11.5977 11.6092 11.8095 11.8109 12.1114 12.1116 12.6662 12.6706 12.8667 12.8703 k = 0.0000 0.0000 0.6060 ( 4040 PWs) bands (ev): -6.9018 -6.9012 -5.8977 -5.8975 -5.2243 -5.2243 -5.0687 -5.0680 -0.4194 -0.4189 0.2565 0.2573 1.9765 1.9797 2.4665 2.4683 2.5749 2.5773 3.8908 3.9034 4.0906 4.0934 4.6800 4.6871 4.7712 4.7975 4.8363 4.8555 5.1972 5.2109 5.4479 5.4689 6.5346 6.5595 6.5687 6.6566 6.7336 6.7570 6.7610 6.7795 7.0059 7.0473 7.1997 7.2115 7.5795 7.6050 7.6308 7.6580 8.1105 8.1255 8.1935 8.2175 11.6115 11.6232 11.7662 11.7683 12.1054 12.1056 12.6345 12.6378 12.8446 12.8488 k = 0.0000 0.0000 0.6238 ( 4040 PWs) bands (ev): -6.8569 -6.8563 -5.9410 -5.9407 -5.2288 -5.2287 -5.0848 -5.0842 -0.3818 -0.3815 0.2272 0.2281 1.9639 1.9659 2.4253 2.4268 2.6239 2.6258 3.8382 3.8493 4.1311 4.1332 4.6765 4.6832 4.8062 4.8307 4.8568 4.8760 5.1978 5.2098 5.4288 5.4502 6.5437 6.5651 6.5799 6.6550 6.7383 6.7606 6.7624 6.7860 7.0111 7.0474 7.2209 7.2210 7.5990 7.6135 7.6438 7.6864 8.1229 8.1377 8.2045 8.2319 11.6129 11.6244 11.7199 11.7226 12.0999 12.1005 12.6019 12.6041 12.8250 12.8298 k = 0.0000 0.0000 0.6416 ( 4044 PWs) bands (ev): -6.8115 -6.8109 -5.9846 -5.9843 -5.2322 -5.2321 -5.1005 -5.1001 -0.3449 -0.3448 0.1986 0.1997 1.9542 1.9553 2.3824 2.3840 2.6756 2.6771 3.7827 3.7925 4.1714 4.1732 4.6699 4.6764 4.8383 4.8608 4.8770 4.8960 5.1999 5.2100 5.4103 5.4320 6.5536 6.5706 6.5899 6.6527 6.7428 6.7602 6.7679 6.7922 7.0167 7.0480 7.2252 7.2355 7.6186 7.6283 7.6655 7.7159 8.1345 8.1497 8.2144 8.2449 11.6005 11.6114 11.6713 11.6744 12.0986 12.0994 12.5687 12.5699 12.8088 12.8141 k = 0.0000 0.0000 0.6595 ( 4040 PWs) bands (ev): -6.7657 -6.7651 -6.0287 -6.0283 -5.2344 -5.2343 -5.1157 -5.1154 -0.3088 -0.3087 0.1706 0.1717 1.9478 1.9482 2.3387 2.3404 2.7297 2.7309 3.7250 3.7335 4.2111 4.2128 4.6605 4.6668 4.8675 4.8875 4.8964 4.9150 5.2037 5.2114 5.3923 5.4142 6.5640 6.5761 6.5987 6.6501 6.7469 6.7599 6.7735 6.7981 7.0233 7.0494 7.2241 7.2426 7.6407 7.6492 7.6929 7.7458 8.1454 8.1614 8.2230 8.2562 11.5755 11.5854 11.6214 11.6248 12.1038 12.1044 12.5353 12.5358 12.7964 12.8022 k = 0.0000 0.0000 0.6773 ( 4060 PWs) bands (ev): -6.7196 -6.7189 -6.0731 -6.0726 -5.2355 -5.2353 -5.1303 -5.1301 -0.2736 -0.2733 0.1429 0.1442 1.9449 1.9451 2.2950 2.2968 2.7859 2.7868 3.6652 3.6727 4.2501 4.2518 4.6482 4.6542 4.8936 4.9106 4.9146 4.9325 5.2090 5.2142 5.3748 5.3969 6.5743 6.5815 6.6062 6.6469 6.7505 6.7596 6.7788 6.8032 7.0311 7.0518 7.2179 7.2424 7.6666 7.6749 7.7226 7.7747 8.1552 8.1727 8.2296 8.2654 11.5412 11.5498 11.5717 11.5752 12.1156 12.1159 12.5020 12.5021 12.7880 12.7942 k = 0.0000 0.0000 0.6951 ( 4068 PWs) bands (ev): -6.6733 -6.6725 -6.1179 -6.1174 -5.2354 -5.2352 -5.1443 -5.1441 -0.2392 -0.2387 0.1155 0.1169 1.9455 1.9463 2.2519 2.2539 2.8439 2.8448 3.6039 3.6104 4.2882 4.2901 4.6332 4.6390 4.9167 4.9291 4.9323 4.9481 5.2161 5.2183 5.3580 5.3800 6.5843 6.5869 6.6126 6.6435 6.7535 6.7595 6.7840 6.8074 7.0407 7.0556 7.2077 7.2359 7.6956 7.7039 7.7523 7.8016 8.1641 8.1838 8.2341 8.2722 11.5020 11.5093 11.5236 11.5271 12.1328 12.1328 12.4689 12.4694 12.7835 12.7900 k = 0.0000 0.0000 0.7129 ( 4072 PWs) bands (ev): -6.6267 -6.6260 -6.1631 -6.1624 -5.2341 -5.2338 -5.1574 -5.1574 -0.2057 -0.2050 0.0883 0.0897 1.9503 1.9515 2.2101 2.2121 2.9035 2.9044 3.5412 3.5469 4.3254 4.3275 4.6155 4.6210 4.9366 4.9439 4.9483 4.9615 5.2239 5.2247 5.3418 5.3636 6.5923 6.5938 6.6177 6.6398 6.7559 6.7596 6.7889 6.8105 7.0522 7.0611 7.1946 7.2245 7.7260 7.7344 7.7800 7.8250 8.1723 8.1950 8.2362 8.2762 11.4625 11.4684 11.4788 11.4822 12.1537 12.1539 12.4366 12.4374 12.7829 12.7896 k = 0.0000 0.0000 0.7308 ( 4072 PWs) bands (ev): -6.5800 -6.5792 -6.2086 -6.2079 -5.2316 -5.2313 -5.1698 -5.1697 -0.1730 -0.1721 0.0610 0.0625 1.9592 1.9608 2.1700 2.1722 2.9645 2.9655 3.4776 3.4824 4.3615 4.3639 4.5953 4.6006 4.9534 4.9562 4.9612 4.9725 5.2308 5.2349 5.3263 5.3474 6.5976 6.6023 6.6215 6.6358 6.7575 6.7599 6.7935 6.8123 7.0656 7.0684 7.1795 7.2096 7.7559 7.7646 7.8040 7.8437 8.1802 8.2065 8.2359 8.2773 11.4262 11.4307 11.4391 11.4421 12.1773 12.1778 12.4050 12.4060 12.7859 12.7927 k = 0.0000 0.0000 0.7486 ( 4074 PWs) bands (ev): -6.5332 -6.5325 -6.2543 -6.2536 -5.2279 -5.2276 -5.1813 -5.1812 -0.1412 -0.1402 0.0336 0.0351 1.9724 1.9742 2.1322 2.1344 3.0268 3.0280 3.4132 3.4173 4.3964 4.3991 4.5728 4.5777 4.9661 4.9669 4.9708 4.9808 5.2390 5.2463 5.3113 5.3317 6.6028 6.6097 6.6241 6.6316 6.7586 6.7604 6.7978 6.8129 7.0775 7.0808 7.1634 7.1924 7.7833 7.7928 7.8226 7.8564 8.1880 8.2183 8.2331 8.2753 11.3959 11.3992 11.4058 11.4083 12.2028 12.2035 12.3742 12.3752 12.7923 12.7992 k = 0.0000 0.0000 0.7664 ( 4070 PWs) bands (ev): -6.4865 -6.4857 -6.3004 -6.2996 -5.2229 -5.2226 -5.1918 -5.1916 -0.1103 -0.1092 0.0059 0.0073 1.9896 1.9916 2.0970 2.0993 3.0900 3.0915 3.3484 3.3518 4.4300 4.4330 4.5480 4.5526 4.9736 4.9771 4.9772 4.9862 5.2485 5.2589 5.2971 5.3162 6.6080 6.6158 6.6253 6.6273 6.7593 6.7607 6.8018 6.8123 7.0886 7.0978 7.1470 7.1738 7.8066 7.8177 7.8346 7.8623 8.1962 8.2280 8.2303 8.2704 11.3737 11.3758 11.3805 11.3824 12.2295 12.2303 12.3440 12.3451 12.8019 12.8088 k = 0.0000 0.0000 0.7842 ( 4068 PWs) bands (ev): -6.4397 -6.4389 -6.3466 -6.3459 -5.2168 -5.2166 -5.2012 -5.2010 -0.0802 -0.0790 -0.0222 -0.0208 2.0109 2.0131 2.0648 2.0671 3.1540 3.1558 3.2834 3.2863 4.4620 4.4655 4.5212 4.5254 4.9786 4.9806 4.9841 4.9886 5.2592 5.2723 5.2836 5.3012 6.6130 6.6204 6.6227 6.6251 6.7599 6.7607 6.8054 6.8108 7.1013 7.1159 7.1309 7.1544 7.8243 7.8381 7.8389 7.8610 8.2046 8.2212 8.2422 8.2629 11.3609 11.3618 11.3643 11.3654 12.2572 12.2581 12.3145 12.3156 12.8144 12.8213 k = 0.0000 0.0000 0.8021 ( 4062 PWs) bands (ev): -6.3931 -6.3931 -6.3923 -6.3923 -5.2096 -5.2096 -5.2093 -5.2093 -0.0509 -0.0509 -0.0496 -0.0496 2.0360 2.0360 2.0383 2.0383 3.2186 3.2186 3.2209 3.2209 4.4925 4.4925 4.4963 4.4963 4.9810 4.9810 4.9879 4.9879 5.2709 5.2709 5.2865 5.2865 6.6179 6.6179 6.6235 6.6235 6.7605 6.7605 6.8084 6.8084 7.1155 7.1155 7.1350 7.1350 7.8354 7.8354 7.8528 7.8528 8.2132 8.2132 8.2533 8.2533 11.3579 11.3579 11.3581 11.3581 12.2855 12.2855 12.2865 12.2865 12.8296 12.8296 k = 0.0000 0.0000 0.8021 ( 4062 PWs) bands (ev): -6.3931 -6.3931 -6.3923 -6.3923 -5.2096 -5.2096 -5.2093 -5.2093 -0.0509 -0.0509 -0.0496 -0.0496 2.0360 2.0360 2.0383 2.0383 3.2186 3.2186 3.2209 3.2209 4.4925 4.4925 4.4963 4.4963 4.9810 4.9810 4.9879 4.9879 5.2709 5.2709 5.2865 5.2865 6.6179 6.6179 6.6235 6.6235 6.7605 6.7605 6.8084 6.8084 7.1155 7.1155 7.1350 7.1350 7.8354 7.8354 7.8528 7.8528 8.2132 8.2132 8.2533 8.2533 11.3579 11.3579 11.3581 11.3581 12.2855 12.2855 12.2865 12.2865 12.8296 12.8296 k =-0.0114 0.0142 0.8021 ( 4062 PWs) bands (ev): -6.3932 -6.3932 -6.3924 -6.3924 -5.2098 -5.2098 -5.2095 -5.2095 -0.0492 -0.0492 -0.0478 -0.0478 2.0360 2.0360 2.0382 2.0382 3.2188 3.2188 3.2212 3.2212 4.4905 4.4905 4.4949 4.4949 4.9816 4.9816 4.9885 4.9885 5.2694 5.2694 5.2852 5.2852 6.6132 6.6132 6.6274 6.6274 6.7601 6.7601 6.8077 6.8077 7.1139 7.1139 7.1376 7.1376 7.8345 7.8345 7.8519 7.8519 8.2129 8.2129 8.2532 8.2532 11.3587 11.3587 11.3590 11.3590 12.2876 12.2876 12.2887 12.2887 12.8302 12.8302 k =-0.0227 0.0285 0.8021 ( 4066 PWs) bands (ev): -6.3935 -6.3935 -6.3927 -6.3927 -5.2103 -5.2103 -5.2100 -5.2100 -0.0440 -0.0440 -0.0426 -0.0426 2.0359 2.0359 2.0380 2.0380 3.2196 3.2196 3.2223 3.2223 4.4848 4.4848 4.4904 4.4904 4.9832 4.9832 4.9903 4.9903 5.2648 5.2648 5.2815 5.2815 6.6058 6.6058 6.6323 6.6323 6.7588 6.7588 6.8055 6.8055 7.1108 7.1108 7.1436 7.1436 7.8320 7.8320 7.8494 7.8494 8.2120 8.2120 8.2530 8.2530 11.3613 11.3613 11.3618 11.3618 12.2935 12.2935 12.2949 12.2949 12.8318 12.8318 k =-0.0341 0.0427 0.8021 ( 4066 PWs) bands (ev): -6.3941 -6.3941 -6.3933 -6.3933 -5.2112 -5.2112 -5.2108 -5.2108 -0.0354 -0.0354 -0.0339 -0.0339 2.0357 2.0357 2.0377 2.0377 3.2209 3.2209 3.2241 3.2241 4.4757 4.4757 4.4827 4.4827 4.9859 4.9859 4.9932 4.9932 5.2574 5.2574 5.2753 5.2753 6.5977 6.5977 6.6365 6.6365 6.7568 6.7568 6.8023 6.8023 7.1077 7.1077 7.1511 7.1511 7.8279 7.8279 7.8454 7.8454 8.2107 8.2107 8.2526 8.2526 11.3657 11.3657 11.3664 11.3664 12.3028 12.3028 12.3045 12.3045 12.8341 12.8341 k =-0.0454 0.0569 0.8021 ( 4062 PWs) bands (ev): -6.3949 -6.3949 -6.3941 -6.3941 -5.2124 -5.2124 -5.2118 -5.2118 -0.0234 -0.0234 -0.0218 -0.0218 2.0355 2.0355 2.0372 2.0372 3.2228 3.2228 3.2266 3.2266 4.4634 4.4634 4.4719 4.4719 4.9896 4.9896 4.9971 4.9971 5.2472 5.2472 5.2666 5.2666 6.5891 6.5891 6.6399 6.6399 6.7539 6.7539 6.7982 6.7982 7.1050 7.1050 7.1590 7.1590 7.8224 7.8224 7.8400 7.8400 8.2089 8.2089 8.2520 8.2520 11.3721 11.3721 11.3729 11.3729 12.3145 12.3145 12.3163 12.3163 12.8363 12.8363 k =-0.0568 0.0712 0.8021 ( 4070 PWs) bands (ev): -6.3959 -6.3959 -6.3951 -6.3951 -5.2138 -5.2138 -5.2131 -5.2131 -0.0083 -0.0083 -0.0066 -0.0066 2.0353 2.0353 2.0367 2.0367 3.2253 3.2253 3.2296 3.2296 4.4482 4.4482 4.4580 4.4580 4.9941 4.9941 5.0018 5.0018 5.2346 5.2346 5.2556 5.2556 6.5802 6.5802 6.6424 6.6424 6.7502 6.7502 6.7937 6.7937 7.1025 7.1025 7.1664 7.1664 7.8156 7.8156 7.8335 7.8335 8.2069 8.2069 8.2512 8.2512 11.3804 11.3804 11.3815 11.3815 12.3274 12.3274 12.3292 12.3292 12.8376 12.8376 k =-0.0681 0.0854 0.8021 ( 4074 PWs) bands (ev): -6.3973 -6.3973 -6.3965 -6.3965 -5.2152 -5.2152 -5.2145 -5.2145 0.0098 0.0098 0.0117 0.0117 2.0350 2.0350 2.0362 2.0362 3.2282 3.2282 3.2333 3.2333 4.4305 4.4305 4.4413 4.4413 4.9993 4.9993 5.0074 5.0074 5.2197 5.2197 5.2424 5.2424 6.5713 6.5713 6.6440 6.6440 6.7457 6.7457 6.7892 6.7892 7.1000 7.1000 7.1728 7.1728 7.8080 7.8080 7.8262 7.8262 8.2046 8.2046 8.2502 8.2502 11.3908 11.3908 11.3922 11.3922 12.3400 12.3400 12.3418 12.3418 12.8373 12.8373 k =-0.0795 0.0997 0.8021 ( 4066 PWs) bands (ev): -6.3990 -6.3990 -6.3982 -6.3982 -5.2167 -5.2167 -5.2159 -5.2159 0.0307 0.0307 0.0327 0.0327 2.0346 2.0346 2.0357 2.0357 3.2316 3.2316 3.2374 3.2374 4.4103 4.4103 4.4220 4.4220 5.0050 5.0050 5.0136 5.0136 5.2028 5.2028 5.2271 5.2271 6.5624 6.5624 6.6450 6.6450 6.7406 6.7406 6.7851 6.7851 7.0972 7.0972 7.1778 7.1778 7.7997 7.7997 7.8184 7.8184 8.2023 8.2023 8.2491 8.2491 11.4032 11.4032 11.4048 11.4048 12.3507 12.3507 12.3528 12.3528 12.8348 12.8348 k =-0.0908 0.1139 0.8021 ( 4062 PWs) bands (ev): -6.4011 -6.4011 -6.4002 -6.4002 -5.2182 -5.2182 -5.2172 -5.2172 0.0542 0.0542 0.0564 0.0564 2.0342 2.0342 2.0355 2.0355 3.2355 3.2355 3.2421 3.2421 4.3881 4.3881 4.4004 4.4004 5.0111 5.0111 5.0204 5.0204 5.1842 5.1842 5.2101 5.2101 6.5538 6.5538 6.6452 6.6452 6.7350 6.7350 6.7814 6.7814 7.0935 7.0935 7.1808 7.1808 7.7910 7.7910 7.8105 7.8105 8.2000 8.2000 8.2477 8.2477 11.4173 11.4173 11.4193 11.4193 12.3582 12.3582 12.3611 12.3611 12.8301 12.8301 k =-0.1022 0.1281 0.8021 ( 4058 PWs) bands (ev): -6.4035 -6.4035 -6.4027 -6.4027 -5.2194 -5.2194 -5.2184 -5.2184 0.0799 0.0799 0.0823 0.0823 2.0338 2.0338 2.0355 2.0355 3.2399 3.2399 3.2473 3.2473 4.3641 4.3641 4.3768 4.3768 5.0172 5.0172 5.0276 5.0276 5.1642 5.1642 5.1916 5.1916 6.5456 6.5456 6.6448 6.6448 6.7292 6.7292 6.7782 6.7782 7.0889 7.0889 7.1814 7.1814 7.7822 7.7822 7.8026 7.8026 8.1977 8.1977 8.2462 8.2462 11.4328 11.4328 11.4354 11.4354 12.3616 12.3616 12.3656 12.3656 12.8234 12.8234 k =-0.1135 0.1424 0.8021 ( 4058 PWs) bands (ev): -6.4065 -6.4065 -6.4057 -6.4057 -5.2203 -5.2203 -5.2192 -5.2192 0.1076 0.1076 0.1102 0.1102 2.0335 2.0335 2.0359 2.0359 3.2445 3.2445 3.2528 3.2528 4.3385 4.3385 4.3515 4.3515 5.0230 5.0230 5.0352 5.0352 5.1430 5.1430 5.1719 5.1719 6.5378 6.5378 6.6438 6.6438 6.7233 6.7233 6.7756 6.7756 7.0831 7.0831 7.1797 7.1797 7.7734 7.7734 7.7950 7.7950 8.1956 8.1956 8.2445 8.2445 11.4493 11.4493 11.4525 11.4525 12.3605 12.3605 12.3658 12.3658 12.8153 12.8153 k =-0.1249 0.1566 0.8021 ( 4052 PWs) bands (ev): -6.4099 -6.4099 -6.4091 -6.4091 -5.2208 -5.2208 -5.2197 -5.2197 0.1369 0.1369 0.1397 0.1397 2.0336 2.0336 2.0367 2.0367 3.2495 3.2495 3.2587 3.2587 4.3118 4.3118 4.3249 4.3249 5.0279 5.0279 5.0430 5.0430 5.1212 5.1212 5.1519 5.1519 6.5305 6.5305 6.6424 6.6424 6.7175 6.7175 6.7734 6.7734 7.0761 7.0761 7.1754 7.1754 7.7648 7.7648 7.7879 7.7879 8.1937 8.1937 8.2427 8.2427 11.4659 11.4659 11.4700 11.4700 12.3553 12.3553 12.3618 12.3618 12.8062 12.8062 k =-0.1362 0.1708 0.8021 ( 4044 PWs) bands (ev): -6.4139 -6.4139 -6.4131 -6.4131 -5.2207 -5.2207 -5.2196 -5.2196 0.1674 0.1674 0.1704 0.1704 2.0341 2.0341 2.0381 2.0381 3.2548 3.2548 3.2649 3.2649 4.2842 4.2842 4.2973 4.2973 5.0304 5.0304 5.0507 5.0507 5.0994 5.0994 5.1326 5.1326 6.5237 6.5237 6.6405 6.6405 6.7120 6.7120 6.7718 6.7718 7.0681 7.0681 7.1687 7.1687 7.7565 7.7565 7.7812 7.7812 8.1920 8.1920 8.2409 8.2409 11.4817 11.4817 11.4868 11.4868 12.3468 12.3468 12.3544 12.3544 12.7962 12.7962 k =-0.1476 0.1851 0.8021 ( 4046 PWs) bands (ev): -6.4185 -6.4185 -6.4177 -6.4177 -5.2201 -5.2201 -5.2188 -5.2188 0.1986 0.1986 0.2019 0.2019 2.0353 2.0353 2.0403 2.0403 3.2603 3.2603 3.2714 3.2714 4.2559 4.2559 4.2691 4.2691 5.0281 5.0281 5.0561 5.0561 5.0801 5.0801 5.1164 5.1164 6.5175 6.5175 6.6382 6.6382 6.7066 6.7066 6.7706 6.7706 7.0593 7.0593 7.1597 7.1597 7.7485 7.7485 7.7751 7.7751 8.1906 8.1906 8.2389 8.2389 11.4955 11.4955 11.5018 11.5018 12.3367 12.3367 12.3452 12.3452 12.7849 12.7849 k =-0.1589 0.1993 0.8021 ( 4046 PWs) bands (ev): -6.4236 -6.4236 -6.4228 -6.4228 -5.2186 -5.2186 -5.2174 -5.2174 0.2302 0.2302 0.2336 0.2336 2.0373 2.0373 2.0434 2.0434 3.2660 3.2660 3.2780 3.2780 4.2274 4.2274 4.2405 4.2405 5.0177 5.0177 5.0478 5.0478 5.0748 5.0748 5.1070 5.1070 6.5117 6.5117 6.6357 6.6357 6.7013 6.7013 6.7698 6.7698 7.0498 7.0498 7.1488 7.1488 7.7407 7.7407 7.7693 7.7693 8.1894 8.1894 8.2368 8.2368 11.5059 11.5059 11.5137 11.5137 12.3272 12.3272 12.3362 12.3362 12.7717 12.7717 k =-0.1589 0.1993 0.8021 ( 4046 PWs) bands (ev): -6.4236 -6.4236 -6.4228 -6.4228 -5.2186 -5.2186 -5.2174 -5.2174 0.2302 0.2302 0.2336 0.2336 2.0373 2.0373 2.0434 2.0434 3.2660 3.2660 3.2780 3.2780 4.2274 4.2274 4.2405 4.2405 5.0177 5.0177 5.0478 5.0478 5.0748 5.0748 5.1070 5.1070 6.5117 6.5117 6.6357 6.6357 6.7013 6.7013 6.7698 6.7698 7.0498 7.0498 7.1488 7.1488 7.7407 7.7407 7.7693 7.7693 8.1894 8.1894 8.2368 8.2368 11.5059 11.5059 11.5137 11.5137 12.3272 12.3272 12.3362 12.3362 12.7717 12.7717 k =-0.1667 0.2090 0.7896 ( 4043 PWs) bands (ev): -6.4515 -6.4510 -6.4032 -6.4028 -5.2279 -5.2270 -5.2056 -5.2046 0.2258 0.2283 0.2780 0.2807 2.0314 2.0380 2.0494 2.0557 3.2364 3.2442 3.3071 3.3159 4.1954 4.2038 4.2245 4.2333 4.9955 5.0074 5.0321 5.0438 5.0744 5.0807 5.1023 5.1108 6.5047 6.5115 6.6314 6.6362 6.6950 6.7004 6.7680 6.7712 7.0352 7.0515 7.1339 7.1471 7.7237 7.7366 7.7583 7.7746 8.1859 8.1932 8.2349 8.2371 11.4983 11.5012 11.5312 11.5336 12.3043 12.3129 12.3417 12.3500 12.7429 12.7478 k =-0.1744 0.2188 0.7772 ( 4048 PWs) bands (ev): -6.4786 -6.4781 -6.3847 -6.3844 -5.2373 -5.2363 -5.1910 -5.1901 0.2194 0.2220 0.3257 0.3285 2.0294 2.0370 2.0615 2.0686 3.2067 3.2143 3.3425 3.3520 4.1647 4.1733 4.2159 4.2252 4.9685 4.9830 5.0254 5.0400 5.0757 5.0798 5.1067 5.1177 6.4977 6.5114 6.6269 6.6363 6.6884 6.6995 6.7663 6.7733 7.0212 7.0527 7.1186 7.1444 7.7016 7.7177 7.7533 7.7765 8.1833 8.1996 8.2331 8.2403 11.4836 11.4870 11.5566 11.5592 12.2836 12.2925 12.3594 12.3679 12.7171 12.7216 k =-0.1822 0.2285 0.7647 ( 4044 PWs) bands (ev): -6.5046 -6.5042 -6.3681 -6.3678 -5.2464 -5.2455 -5.1750 -5.1740 0.2113 0.2140 0.3736 0.3766 2.0313 2.0400 2.0739 2.0819 3.1785 3.1859 3.3737 3.3837 4.1371 4.1458 4.2055 4.2152 4.9397 4.9543 5.0194 5.0360 5.0758 5.0784 5.1153 5.1260 6.4908 6.5115 6.6224 6.6363 6.6816 6.6985 6.7647 6.7759 7.0078 7.0535 7.1032 7.1410 7.6757 7.6918 7.7473 7.7740 8.1813 8.2079 8.2328 8.2471 11.4623 11.4662 11.5852 11.5881 12.2669 12.2754 12.3816 12.3905 12.6944 12.6989 k =-0.1899 0.2382 0.7523 ( 4044 PWs) bands (ev): -6.5295 -6.5291 -6.3532 -6.3530 -5.2554 -5.2544 -5.1576 -5.1565 0.2014 0.2043 0.4215 0.4247 2.0372 2.0471 2.0865 2.0955 3.1519 3.1591 3.3996 3.4099 4.1139 4.1227 4.1931 4.2033 4.9103 4.9245 5.0128 5.0310 5.0735 5.0802 5.1247 5.1349 6.4841 6.5117 6.6177 6.6361 6.6746 6.6973 6.7630 6.7789 6.9950 7.0538 7.0880 7.1372 7.6469 7.6622 7.7378 7.7667 8.1794 8.2136 8.2380 8.2575 11.4337 11.4381 11.6159 11.6191 12.2547 12.2626 12.4090 12.4184 12.6747 12.6795 k =-0.1977 0.2479 0.7399 ( 4040 PWs) bands (ev): -6.5534 -6.5530 -6.3400 -6.3399 -5.2641 -5.2631 -5.1390 -5.1379 0.1898 0.1929 0.4693 0.4727 2.0469 2.0581 2.0994 2.1093 3.1270 3.1339 3.4191 3.4294 4.0960 4.1049 4.1785 4.1894 4.8808 4.8946 5.0061 5.0251 5.0721 5.0820 5.1340 5.1441 6.4776 6.5120 6.6128 6.6359 6.6674 6.6961 6.7612 6.7824 6.9826 7.0515 7.0751 7.1334 7.6161 7.6300 7.7249 7.7552 8.1772 8.2132 8.2520 8.2716 11.3977 11.4028 11.6477 11.6514 12.2470 12.2539 12.4422 12.4520 12.6578 12.6632 k =-0.2054 0.2577 0.7274 ( 4042 PWs) bands (ev): -6.5760 -6.5756 -6.3285 -6.3284 -5.2725 -5.2715 -5.1195 -5.1183 0.1767 0.1801 0.5168 0.5204 2.0601 2.0727 2.1125 2.1234 3.1038 3.1104 3.4314 3.4413 4.0840 4.0932 4.1619 4.1737 4.8517 4.8651 4.9995 5.0186 5.0712 5.0835 5.1428 5.1535 6.4713 6.5125 6.6076 6.6357 6.6601 6.6947 6.7594 6.7863 6.9707 7.0419 7.0695 7.1298 7.5840 7.5962 7.7091 7.7400 8.1744 8.2096 8.2712 8.2891 11.3551 11.3608 11.6799 11.6841 12.2430 12.2488 12.4812 12.4916 12.6436 12.6498 k =-0.2132 0.2674 0.7150 ( 4038 PWs) bands (ev): -6.5975 -6.5971 -6.3185 -6.3184 -5.2806 -5.2796 -5.0992 -5.0979 0.1623 0.1659 0.5637 0.5675 2.0763 2.0902 2.1261 2.1380 3.0823 3.0887 3.4362 3.4451 4.0782 4.0878 4.1435 4.1566 4.8236 4.8365 4.9931 5.0120 5.0705 5.0848 5.1512 5.1630 6.4654 6.5129 6.6020 6.6357 6.6528 6.6931 6.7576 6.7904 6.9590 7.0260 7.0701 7.1270 7.5512 7.5616 7.6911 7.7218 8.1709 8.2047 8.2934 8.3092 11.3070 11.3133 11.7114 11.7163 12.2418 12.2466 12.5257 12.5365 12.6325 12.6396 k =-0.2209 0.2771 0.7026 ( 4032 PWs) bands (ev): -6.6177 -6.6173 -6.3100 -6.3098 -5.2883 -5.2874 -5.0784 -5.0771 0.1467 0.1506 0.6098 0.6139 2.0949 2.1094 2.1411 2.1533 3.0625 3.0688 3.4335 3.4410 4.0772 4.0879 4.1239 4.1388 4.7970 4.8093 4.9870 5.0055 5.0697 5.0858 5.1592 5.1724 6.4597 6.5134 6.5958 6.6357 6.6459 6.6912 6.7559 6.7948 6.9476 7.0077 7.0731 7.1252 7.5182 7.5272 7.6716 7.7012 8.1668 8.1990 8.3173 8.3315 11.2549 11.2617 11.7417 11.7473 12.2423 12.2464 12.5721 12.5820 12.6279 12.6363 k =-0.2287 0.2868 0.6901 ( 4032 PWs) bands (ev): -6.6367 -6.6363 -6.3027 -6.3024 -5.2957 -5.2947 -5.0575 -5.0561 0.1302 0.1344 0.6548 0.6592 2.1147 2.1283 2.1591 2.1699 3.0445 3.0505 3.4242 3.4300 4.0772 4.0888 4.1072 4.1232 4.7723 4.7841 4.9811 4.9991 5.0687 5.0865 5.1668 5.1815 6.4545 6.5139 6.5886 6.6355 6.6398 6.6890 6.7542 6.7993 6.9363 6.9884 7.0770 7.1250 7.4852 7.4938 7.6510 7.6790 8.1619 8.1926 8.3422 8.3551 11.2002 11.2075 11.7702 11.7764 12.2437 12.2475 12.5976 12.6021 12.6530 12.6637 k =-0.2364 0.2966 0.6777 ( 4039 PWs) bands (ev): -6.6543 -6.6540 -6.2966 -6.2962 -5.3026 -5.3017 -5.0366 -5.0351 0.1133 0.1177 0.6985 0.7031 2.1342 2.1443 2.1819 2.1889 3.0280 3.0339 3.4095 3.4132 4.0681 4.0748 4.1090 4.1175 4.7502 4.7615 4.9753 4.9928 5.0676 5.0869 5.1739 5.1904 6.4496 6.5144 6.5802 6.6324 6.6375 6.6865 6.7526 6.8039 6.9249 6.9689 7.0813 7.1268 7.4523 7.4623 7.6300 7.6557 8.1565 8.1858 8.3675 8.3794 11.1443 11.1521 11.7964 11.8032 12.2455 12.2492 12.5955 12.6010 12.7087 12.7212 k =-0.2442 0.3063 0.6653 ( 4043 PWs) bands (ev): -6.6707 -6.6704 -6.2915 -6.2911 -5.3091 -5.3082 -5.0162 -5.0146 0.0961 0.1007 0.7405 0.7454 2.1519 2.1574 2.2091 2.2113 3.0130 3.0190 3.3907 3.3923 4.0464 4.0542 4.1192 4.1242 4.7312 4.7420 4.9695 4.9864 5.0663 5.0871 5.1806 5.1990 6.4451 6.5149 6.5707 6.6278 6.6378 6.6837 6.7512 6.8084 6.9130 6.9498 7.0855 7.1311 7.4202 7.4330 7.6088 7.6319 8.1507 8.1786 8.3929 8.4039 11.0884 11.0965 11.8200 11.8273 12.2473 12.2510 12.5901 12.5963 12.7731 12.7864 k =-0.2519 0.3160 0.6528 ( 4046 PWs) bands (ev): -6.6856 -6.6854 -6.2873 -6.2868 -5.3152 -5.3143 -4.9964 -4.9947 0.0790 0.0839 0.7805 0.7857 2.1671 2.1687 2.2367 2.2394 2.9994 3.0054 3.3686 3.3696 4.0209 4.0302 4.1307 4.1361 4.7157 4.7263 4.9637 4.9800 5.0650 5.0871 5.1869 5.2073 6.4412 6.5154 6.5600 6.6239 6.6386 6.6806 6.7500 6.8128 6.8999 6.9323 7.0896 7.1379 7.3896 7.4057 7.5878 7.6081 8.1446 8.1713 8.4178 8.4282 11.0336 11.0421 11.8410 11.8485 12.2491 12.2529 12.5849 12.5912 12.8409 12.8547 k =-0.2597 0.3257 0.6404 ( 4044 PWs) bands (ev): -6.6993 -6.6990 -6.2839 -6.2833 -5.3207 -5.3198 -4.9775 -4.9757 0.0623 0.0675 0.8182 0.8236 2.1784 2.1801 2.2651 2.2710 2.9869 2.9932 3.3439 3.3470 3.9942 4.0045 4.1420 4.1485 4.7041 4.7148 4.9580 4.9734 5.0638 5.0870 5.1929 5.2151 6.4379 6.5158 6.5487 6.6207 6.6397 6.6772 6.7491 6.8169 6.8851 6.9175 7.0938 7.1469 7.3610 7.3805 7.5671 7.5850 8.1384 8.1641 8.4420 8.4517 10.9810 10.9898 11.8592 11.8669 12.2507 12.2544 12.5802 12.5865 12.9098 12.9240 k =-0.2674 0.3354 0.6280 ( 4041 PWs) bands (ev): -6.7115 -6.7113 -6.2812 -6.2805 -5.3257 -5.3248 -4.9598 -4.9579 0.0465 0.0518 0.8532 0.8589 2.1872 2.1909 2.2948 2.3033 2.9752 2.9819 3.3193 3.3246 3.9673 3.9780 4.1522 4.1597 4.6965 4.7077 4.9521 4.9665 5.0626 5.0867 5.1983 5.2224 6.4352 6.5160 6.5370 6.6182 6.6410 6.6737 6.7484 6.8205 6.8689 6.9055 7.0982 7.1577 7.3347 7.3574 7.5463 7.5634 8.1323 8.1571 8.4650 8.4739 10.9314 10.9404 11.8749 11.8826 12.2520 12.2558 12.5762 12.5822 12.9776 12.9919 k =-0.2752 0.3452 0.6155 ( 4045 PWs) bands (ev): -6.7223 -6.7221 -6.2790 -6.2783 -5.3302 -5.3293 -4.9436 -4.9416 0.0317 0.0372 0.8852 0.8912 2.1950 2.2002 2.3248 2.3353 2.9642 2.9713 3.2960 3.3032 3.9408 3.9516 4.1605 4.1690 4.6927 4.7048 4.9460 4.9592 5.0615 5.0864 5.2032 5.2291 6.4332 6.5148 6.5266 6.6163 6.6424 6.6700 6.7480 6.8227 6.8530 6.8957 7.1031 7.1698 7.3112 7.3362 7.5254 7.5441 8.1264 8.1504 8.4864 8.4946 10.8856 10.8948 11.8880 11.8955 12.2530 12.2568 12.5727 12.5784 13.0422 13.0563 k =-0.2829 0.3549 0.6031 ( 4047 PWs) bands (ev): -6.7318 -6.7316 -6.2773 -6.2766 -5.3342 -5.3333 -4.9290 -4.9270 0.0182 0.0239 0.9138 0.9200 2.2019 2.2081 2.3542 2.3661 2.9536 2.9612 3.2750 3.2838 3.9154 3.9260 4.1667 4.1760 4.6923 4.7057 4.9400 4.9517 5.0607 5.0861 5.2076 5.2351 6.4321 6.5079 6.5219 6.6148 6.6439 6.6664 6.7480 6.8204 6.8418 6.8875 7.1086 7.1826 7.2905 7.3170 7.5044 7.5274 8.1208 8.1442 8.5060 8.5133 10.8444 10.8536 11.8988 11.9061 12.2538 12.2575 12.5699 12.5750 13.1015 13.1153 k =-0.2907 0.3646 0.5907 ( 4049 PWs) bands (ev): -6.7398 -6.7396 -6.2760 -6.2752 -5.3375 -5.3366 -4.9163 -4.9142 0.0064 0.0122 0.9387 0.9451 2.2077 2.2147 2.3818 2.3949 2.9435 2.9513 3.2571 3.2670 3.8920 3.9021 4.1709 4.1809 4.6945 4.7095 4.9340 4.9441 5.0600 5.0858 5.2114 5.2404 6.4320 6.4970 6.5215 6.6137 6.6454 6.6630 6.7482 6.8102 6.8395 6.8804 7.1145 7.1956 7.2729 7.2998 7.4840 7.5133 8.1159 8.1387 8.5233 8.5297 10.8083 10.8176 11.9076 11.9146 12.2544 12.2581 12.5676 12.5720 13.1542 13.1677 k =-0.2984 0.3743 0.5782 ( 4039 PWs) bands (ev): -6.7463 -6.7462 -6.2750 -6.2742 -5.3403 -5.3394 -4.9057 -4.9036 -0.0036 0.0023 0.9596 0.9662 2.2126 2.2201 2.4066 2.4206 2.9340 2.9418 3.2428 3.2532 3.8714 3.8807 4.1735 4.1840 4.6985 4.7151 4.9284 4.9368 5.0595 5.0856 5.2146 5.2449 6.4330 6.4858 6.5221 6.6129 6.6465 6.6604 6.7489 6.7974 6.8413 6.8742 7.1208 7.2080 7.2587 7.2848 7.4651 7.5018 8.1116 8.1340 8.5382 8.5435 10.7780 10.7873 11.9144 11.9211 12.2548 12.2584 12.5659 12.5695 13.1994 13.2128 k =-0.3062 0.3841 0.5658 ( 4036 PWs) bands (ev): -6.7514 -6.7513 -6.2743 -6.2735 -5.3424 -5.3415 -4.8972 -4.8951 -0.0116 -0.0056 0.9761 0.9829 2.2164 2.2243 2.4276 2.4423 2.9257 2.9330 3.2322 3.2425 3.8543 3.8628 4.1750 4.1857 4.7032 4.7214 4.9234 4.9300 5.0591 5.0854 5.2172 5.2484 6.4350 6.4752 6.5228 6.6124 6.6470 6.6586 6.7501 6.7854 6.8441 6.8687 7.1268 7.2186 7.2484 7.2722 7.4485 7.4928 8.1082 8.1302 8.5502 8.5544 10.7539 10.7632 11.9195 11.9260 12.2550 12.2587 12.5646 12.5675 13.2363 13.2497 k =-0.3140 0.3938 0.5534 ( 4040 PWs) bands (ev): -6.7551 -6.7550 -6.2738 -6.2730 -5.3440 -5.3431 -4.8911 -4.8889 -0.0174 -0.0113 0.9881 0.9950 2.2191 2.2273 2.4436 2.4588 2.9191 2.9256 3.2252 3.2349 3.8416 3.8491 4.1757 4.1866 4.7075 4.7271 4.9195 4.9244 5.0589 5.0852 5.2190 5.2510 6.4384 6.4655 6.5234 6.6120 6.6469 6.6579 6.7519 6.7754 6.8472 6.8639 7.1321 7.2247 7.2440 7.2623 7.4352 7.4863 8.1056 8.1275 8.5592 8.5621 10.7364 10.7457 11.9231 11.9293 12.2551 12.2588 12.5639 12.5659 13.2639 13.2774 k =-0.3217 0.4035 0.5409 ( 4040 PWs) bands (ev): -6.7572 -6.7572 -6.2735 -6.2727 -5.3449 -5.3440 -4.8874 -4.8852 -0.0209 -0.0148 0.9954 1.0023 2.2207 2.2291 2.4537 2.4692 2.9148 2.9205 3.2213 3.2303 3.8338 3.8405 4.1760 4.1870 4.7106 4.7310 4.9170 4.9206 5.0587 5.0851 5.2201 5.2526 6.4428 6.4572 6.5238 6.6117 6.6464 6.6578 6.7543 6.7677 6.8502 6.8598 7.1357 7.2250 7.2459 7.2554 7.4265 7.4824 8.1041 8.1258 8.5649 8.5666 10.7257 10.7350 11.9252 11.9312 12.2552 12.2589 12.5636 12.5648 13.2811 13.2946 k =-0.3295 0.4132 0.5285 ( 4042 PWs) bands (ev): -6.7580 -6.7579 -6.2735 -6.2726 -5.3452 -5.3443 -4.8862 -4.8840 -0.0221 -0.0160 0.9978 1.0048 2.2213 2.2297 2.4572 2.4727 2.9134 2.9187 3.2201 3.2288 3.8312 3.8375 4.1760 4.1871 4.7117 4.7324 4.9162 4.9193 5.0587 5.0851 5.2205 5.2531 6.4468 6.4519 6.5239 6.6116 6.6462 6.6578 6.7560 6.7642 6.8521 6.8576 7.1371 7.2244 7.2483 7.2522 7.4234 7.4810 8.1036 8.1252 8.5670 8.5679 10.7222 10.7315 11.9258 11.9318 12.2552 12.2589 12.5635 12.5643 13.2870 13.3005 k =-0.3295 0.4132 0.5285 ( 4042 PWs) bands (ev): -6.7580 -6.7579 -6.2735 -6.2726 -5.3452 -5.3443 -4.8862 -4.8840 -0.0221 -0.0160 0.9978 1.0048 2.2213 2.2297 2.4572 2.4727 2.9134 2.9187 3.2201 3.2288 3.8312 3.8375 4.1760 4.1871 4.7117 4.7324 4.9162 4.9193 5.0587 5.0851 5.2205 5.2531 6.4468 6.4519 6.5239 6.6116 6.6462 6.6578 6.7560 6.7642 6.8521 6.8576 7.1371 7.2244 7.2483 7.2522 7.4234 7.4810 8.1036 8.1252 8.5670 8.5679 10.7222 10.7315 11.9258 11.9318 12.2552 12.2589 12.5635 12.5643 13.2870 13.3005 k =-0.3216 0.4034 0.5159 ( 4034 PWs) bands (ev): -6.7791 -6.7790 -6.2403 -6.2394 -5.3548 -5.3538 -4.8800 -4.8777 -0.0560 -0.0499 1.0223 1.0298 2.1820 2.1903 2.4604 2.4758 2.9321 2.9369 3.1906 3.1992 3.8331 3.8402 4.1660 4.1772 4.7698 4.7886 4.9408 4.9448 5.0416 5.0669 5.2091 5.2391 6.4530 6.4602 6.5277 6.6086 6.6440 6.6687 6.7546 6.7589 6.8488 6.8493 7.1240 7.2071 7.2240 7.2385 7.4113 7.4691 8.1096 8.1297 8.5715 8.5721 10.7414 10.7504 11.9668 11.9719 12.2820 12.2856 12.5893 12.5896 13.3656 13.3780 k =-0.3138 0.3935 0.5033 ( 4042 PWs) bands (ev): -6.8023 -6.8022 -6.2060 -6.2051 -5.3617 -5.3607 -4.8737 -4.8714 -0.0915 -0.0855 1.0426 1.0506 2.1434 2.1516 2.4661 2.4814 2.9566 2.9606 3.1632 3.1715 3.8336 3.8413 4.1546 4.1659 4.8262 4.8423 4.9622 4.9681 5.0256 5.0493 5.2002 5.2261 6.4586 6.4675 6.5307 6.6059 6.6431 6.6778 6.7536 6.7540 6.8412 6.8462 7.1110 7.1913 7.2011 7.2248 7.4009 7.4589 8.1135 8.1326 8.5712 8.5732 10.7631 10.7716 12.0028 12.0066 12.3058 12.3094 12.6150 12.6160 13.4539 13.4650 k =-0.3059 0.3837 0.4907 ( 4042 PWs) bands (ev): -6.8275 -6.8274 -6.1706 -6.1697 -5.3659 -5.3649 -4.8673 -4.8650 -0.1285 -0.1227 1.0588 1.0672 2.1055 2.1138 2.4742 2.4895 2.9849 2.9877 3.1397 3.1471 3.8329 3.8410 4.1419 4.1533 4.8797 4.8923 4.9774 4.9887 5.0134 5.0332 5.1953 5.2149 6.4634 6.4734 6.5332 6.6037 6.6435 6.6851 6.7494 6.7531 6.8336 6.8444 7.0988 7.1775 7.1797 7.2116 7.3922 7.4507 8.1150 8.1334 8.5673 8.5704 10.7868 10.7947 12.0333 12.0355 12.3284 12.3318 12.6423 12.6438 13.5497 13.5594 k =-0.2981 0.3739 0.4782 ( 4050 PWs) bands (ev): -6.8545 -6.8544 -6.1342 -6.1332 -5.3676 -5.3666 -4.8610 -4.8587 -0.1669 -0.1613 1.0712 1.0801 2.0686 2.0768 2.4844 2.4996 3.0123 3.0125 3.1252 3.1303 3.8310 3.8393 4.1282 4.1397 4.9267 4.9362 4.9757 5.0043 5.0156 5.0226 5.1963 5.2068 6.4676 6.4772 6.5357 6.6022 6.6449 6.6903 6.7448 6.7530 6.8265 6.8434 7.0881 7.1597 7.1656 7.1995 7.3852 7.4442 8.1138 8.1320 8.5599 8.5642 10.8123 10.8195 12.0584 12.0587 12.3511 12.3543 12.6715 12.6730 13.6483 13.6506 k =-0.2902 0.3640 0.4656 ( 4046 PWs) bands (ev): -6.8832 -6.8831 -6.0968 -6.0957 -5.3668 -5.3658 -4.8547 -4.8524 -0.2066 -0.2011 1.0801 1.0894 2.0327 2.0408 2.4964 2.5115 3.0225 3.0272 3.1314 3.1321 3.8284 3.8368 4.1137 4.1252 4.9538 4.9549 4.9787 5.0112 5.0283 5.0316 5.2039 5.2056 6.4711 6.4786 6.5383 6.6016 6.6472 6.6932 6.7404 6.7532 6.8205 6.8432 7.0795 7.1413 7.1554 7.1889 7.3798 7.4396 8.1098 8.1283 8.5495 8.5550 10.8390 10.8455 12.0771 12.0788 12.3749 12.3779 12.7014 12.7026 13.6528 13.6655 k =-0.2824 0.3542 0.4530 ( 4046 PWs) bands (ev): -6.9135 -6.9134 -6.0584 -6.0573 -5.3635 -5.3625 -4.8484 -4.8461 -0.2473 -0.2421 1.0861 1.0958 1.9980 2.0060 2.5097 2.5248 3.0135 3.0214 3.1597 3.1618 3.8252 3.8335 4.0987 4.1102 4.9345 4.9503 5.0047 5.0298 5.0417 5.0500 5.2093 5.2249 6.4741 6.4775 6.5407 6.6023 6.6497 6.6939 6.7361 6.7537 6.8157 6.8439 7.0733 7.1245 7.1468 7.1804 7.3761 7.4368 8.1028 8.1221 8.5365 8.5431 10.8668 10.8724 12.0921 12.0958 12.4005 12.4033 12.7299 12.7306 13.6458 13.6541 k =-0.2745 0.3444 0.4404 ( 4034 PWs) bands (ev): -6.9451 -6.9449 -6.0191 -6.0180 -5.3580 -5.3570 -4.8422 -4.8399 -0.2891 -0.2840 1.0896 1.0996 1.9645 1.9725 2.5241 2.5392 2.9954 3.0044 3.2023 3.2051 3.8219 3.8299 4.0839 4.0953 4.9103 4.9311 5.0237 5.0454 5.0539 5.0707 5.2263 5.2537 6.4742 6.4765 6.5426 6.6045 6.6522 6.6925 6.7319 6.7546 6.8125 6.8454 7.0700 7.1095 7.1395 7.1747 7.3741 7.4359 8.0929 8.1132 8.5216 8.5292 10.8952 10.8999 12.1054 12.1109 12.4282 12.4308 12.7541 12.7542 13.6315 13.6365 k =-0.2667 0.3345 0.4278 ( 4040 PWs) bands (ev): -6.9778 -6.9776 -5.9790 -5.9779 -5.3504 -5.3494 -4.8361 -4.8337 -0.3316 -0.3267 1.0911 1.1015 1.9323 1.9402 2.5391 2.5543 2.9748 2.9840 3.2507 3.2535 3.8188 3.8264 4.0700 4.0812 4.8832 4.9068 5.0364 5.0556 5.0643 5.0862 5.2551 5.2892 6.4692 6.4786 6.5434 6.6082 6.6540 6.6890 6.7280 6.7557 6.8110 6.8477 7.0692 7.0968 7.1334 7.1718 7.3738 7.4368 8.0799 8.1017 8.5051 8.5139 10.9238 10.9276 12.1184 12.1256 12.4581 12.4606 12.7698 12.7709 13.6147 13.6172 k =-0.2589 0.3247 0.4152 ( 4042 PWs) bands (ev): -7.0114 -7.0113 -5.9382 -5.9371 -5.3409 -5.3399 -4.8300 -4.8277 -0.3748 -0.3701 1.0912 1.1019 1.9015 1.9093 2.5543 2.5696 2.9537 2.9629 3.3006 3.3028 3.8162 3.8232 4.0582 4.0690 4.8535 4.8790 5.0454 5.0624 5.0730 5.0961 5.2919 5.3284 6.4630 6.4803 6.5432 6.6130 6.6548 6.6843 6.7245 6.7570 6.8112 6.8508 7.0692 7.0883 7.1283 7.1722 7.3752 7.4397 8.0639 8.0876 8.4877 8.4978 10.9524 10.9553 12.1325 12.1410 12.4901 12.4925 12.7742 12.7765 13.5997 13.6005 k =-0.2510 0.3148 0.4027 ( 4048 PWs) bands (ev): -7.0458 -7.0457 -5.8968 -5.8956 -5.3296 -5.3286 -4.8241 -4.8218 -0.4185 -0.4140 1.0904 1.1013 1.8722 1.8800 2.5692 2.5846 2.9331 2.9422 3.3488 3.3502 3.8145 3.8210 4.0500 4.0601 4.8213 4.8483 5.0525 5.0670 5.0798 5.1026 5.3324 5.3688 6.4559 6.4818 6.5420 6.6185 6.6540 6.6791 6.7215 6.7584 6.8131 6.8546 7.0649 7.0891 7.1242 7.1760 7.3785 7.4446 8.0452 8.0711 8.4701 8.4814 10.9808 10.9828 12.1485 12.1580 12.5237 12.5261 12.7647 12.7683 13.5896 13.5899 k =-0.2432 0.3050 0.3901 ( 4044 PWs) bands (ev): -7.0807 -7.0806 -5.8547 -5.8535 -5.3167 -5.3157 -4.8184 -4.8161 -0.4625 -0.4583 1.0892 1.1003 1.8446 1.8523 2.5833 2.5990 2.9133 2.9223 3.3923 3.3925 3.8143 3.8199 4.0475 4.0566 4.7869 4.8150 5.0589 5.0703 5.0849 5.1073 5.3735 5.4086 6.4483 6.4832 6.5402 6.6242 6.6513 6.6742 6.7195 6.7601 6.8166 6.8590 7.0572 7.0983 7.1211 7.1830 7.3837 7.4514 8.0240 8.0523 8.4527 8.4654 11.0087 11.0098 12.1667 12.1769 12.5584 12.5610 12.7403 12.7451 13.5861 13.5870 k =-0.2353 0.2952 0.3775 ( 4032 PWs) bands (ev): -7.1160 -7.1159 -5.8121 -5.8109 -5.3024 -5.3015 -4.8128 -4.8105 -0.5068 -0.5028 1.0879 1.0992 1.8186 1.8262 2.5963 2.6122 2.8946 2.9035 3.4268 3.4280 3.8157 3.8205 4.0529 4.0607 4.7504 4.7792 5.0651 5.0729 5.0883 5.1109 5.4137 5.4467 6.4407 6.4844 6.5379 6.6299 6.6467 6.6704 6.7183 6.7619 6.8216 6.8641 7.0494 7.1124 7.1190 7.1934 7.3910 7.4604 8.0007 8.0315 8.4361 8.4502 11.0362 11.0365 12.1867 12.1972 12.5933 12.5964 12.7024 12.7080 13.5895 13.5908 k =-0.2275 0.2853 0.3649 ( 4042 PWs) bands (ev): -7.1514 -7.1513 -5.7691 -5.7679 -5.2869 -5.2860 -4.8074 -4.8052 -0.5511 -0.5473 1.0870 1.0985 1.7943 1.8019 2.6076 2.6239 2.8771 2.8857 3.4503 3.4533 3.8191 3.8230 4.0682 4.0744 4.7120 4.7412 5.0714 5.0752 5.0901 5.1133 5.4519 5.4823 6.4330 6.4853 6.5353 6.6351 6.6408 6.6673 6.7181 6.7638 6.8279 6.8695 7.0422 7.1180 7.1301 7.2069 7.4004 7.4714 7.9754 8.0091 8.4207 8.4363 11.0627 11.0631 12.2071 12.2172 12.6257 12.6315 12.6563 12.6603 13.5977 13.5991 k =-0.2196 0.2755 0.3523 ( 4038 PWs) bands (ev): -7.1869 -7.1867 -5.7258 -5.7246 -5.2704 -5.2694 -4.8021 -4.8000 -0.5954 -0.5919 1.0868 1.0984 1.7719 1.7794 2.6170 2.6337 2.8607 2.8691 3.4613 3.4662 3.8247 3.8276 4.0948 4.0991 4.6720 4.7013 5.0773 5.0779 5.0905 5.1149 5.4872 5.5147 6.4258 6.4861 6.5325 6.6345 6.6401 6.6650 6.7189 6.7658 6.8354 6.8754 7.0358 7.1180 7.1510 7.2234 7.4122 7.4847 7.9487 7.9854 8.4070 8.4242 11.0885 11.0895 12.2243 12.2331 12.5990 12.6077 12.6640 12.6655 13.6077 13.6092 k =-0.2118 0.2656 0.3397 ( 4046 PWs) bands (ev): -7.2221 -7.2220 -5.6823 -5.6810 -5.2530 -5.2520 -4.7971 -4.7950 -0.6396 -0.6362 1.0876 1.0994 1.7513 1.7588 2.6240 2.6411 2.8455 2.8537 3.4596 3.4663 3.8325 3.8343 4.1321 4.1347 4.6308 4.6598 5.0791 5.0843 5.0899 5.1159 5.5193 5.5434 6.4192 6.4865 6.5297 6.6285 6.6447 6.6631 6.7206 6.7679 6.8441 6.8814 7.0303 7.1191 7.1745 7.2427 7.4265 7.5002 7.9211 7.9608 8.3953 8.4141 11.1139 11.1155 12.2313 12.2368 12.5538 12.5597 12.6943 12.6971 13.6162 13.6178 k =-0.2039 0.2558 0.3272 ( 4044 PWs) bands (ev): -7.2571 -7.2569 -5.6386 -5.6373 -5.2348 -5.2339 -4.7923 -4.7903 -0.6835 -0.6803 1.0896 1.1016 1.7327 1.7401 2.6284 2.6460 2.8316 2.8395 3.4464 3.4546 3.8426 3.8430 4.1785 4.1796 4.5888 4.6173 5.0805 5.0861 5.0930 5.1167 5.5477 5.5683 6.4134 6.4865 6.5267 6.6233 6.6494 6.6619 6.7229 6.7700 6.8536 6.8876 7.0258 7.1214 7.2001 7.2645 7.4437 7.5180 7.8933 7.9361 8.3859 8.4063 11.1389 11.1409 12.2167 12.2168 12.5280 12.5296 12.7214 12.7250 13.6174 13.6219 k =-0.1961 0.2460 0.3146 ( 4040 PWs) bands (ev): -7.2916 -7.2914 -5.5948 -5.5936 -5.2161 -5.2152 -4.7877 -4.7858 -0.7269 -0.7239 1.0932 1.1053 1.7161 1.7235 2.6301 2.6481 2.8188 2.8265 3.4235 3.4330 3.8533 3.8544 4.2318 4.2318 4.5467 4.5744 5.0811 5.0831 5.1000 5.1177 5.5722 5.5891 6.4085 6.4860 6.5238 6.6191 6.6542 6.6614 6.7259 6.7723 6.8638 6.8935 7.0221 7.1250 7.2274 7.2884 7.4639 7.5382 7.8659 7.9116 8.3790 8.4009 11.1634 11.1659 12.1677 12.1736 12.5262 12.5291 12.7438 12.7480 13.5279 13.5319 k =-0.1883 0.2361 0.3020 ( 4032 PWs) bands (ev): -7.3255 -7.3253 -5.5512 -5.5499 -5.1969 -5.1961 -4.7834 -4.7816 -0.7698 -0.7670 1.0986 1.1108 1.7016 1.7089 2.6289 2.6473 2.8072 2.8148 3.3927 3.4031 3.8647 3.8674 4.2888 4.2898 4.5055 4.5318 5.0790 5.0807 5.1076 5.1193 5.5928 5.6057 6.4048 6.4851 6.5209 6.6161 6.6594 6.6617 6.7291 6.7747 6.8742 6.8991 7.0196 7.1299 7.2558 7.3137 7.4873 7.5609 7.8398 7.8883 8.3747 8.3980 11.1872 11.1901 12.0971 12.1071 12.5452 12.5509 12.7599 12.7648 13.4126 13.4177 k =-0.1804 0.2263 0.2894 ( 4048 PWs) bands (ev): -7.3587 -7.3586 -5.5078 -5.5065 -5.1775 -5.1767 -4.7793 -4.7776 -0.8121 -0.8095 1.1058 1.1181 1.6892 1.6965 2.6249 2.6437 2.7967 2.8041 3.3556 3.3667 3.8760 3.8807 4.3484 4.3501 4.4663 4.4909 5.0741 5.0790 5.1153 5.1218 5.6093 5.6182 6.4022 6.4835 6.5181 6.6145 6.6627 6.6651 6.7324 6.7770 6.8843 6.9041 7.0181 7.1359 7.2844 7.3398 7.5141 7.5859 7.8160 7.8668 8.3730 8.3976 11.2097 11.2130 12.0150 12.0276 12.5773 12.5844 12.7686 12.7740 13.2917 13.2971 k =-0.1726 0.2165 0.2768 ( 4038 PWs) bands (ev): -7.3911 -7.3910 -5.4646 -5.4634 -5.1579 -5.1572 -4.7755 -4.7739 -0.8537 -0.8513 1.1151 1.1275 1.6790 1.6863 2.6180 2.6372 2.7873 2.7945 3.3134 3.3251 3.8858 3.8927 4.4065 4.4107 4.4332 4.4538 5.0691 5.0766 5.1231 5.1252 5.6218 5.6269 6.4008 6.4814 6.5153 6.6144 6.6648 6.6716 6.7358 6.7795 6.8937 6.9085 7.0179 7.1431 7.3127 7.3655 7.5445 7.6132 7.7961 7.8482 8.3741 8.3998 11.2301 11.2338 11.9287 11.9429 12.6157 12.6232 12.7690 12.7748 13.1682 13.1736 k =-0.1647 0.2066 0.2642 ( 4046 PWs) bands (ev): -7.4227 -7.4226 -5.4220 -5.4207 -5.1382 -5.1376 -4.7720 -4.7704 -0.8944 -0.8922 1.1267 1.1391 1.6710 1.6782 2.6084 2.6279 2.7788 2.7860 3.2671 3.2791 3.8921 3.9016 4.3978 4.4184 4.4720 4.4740 5.0641 5.0736 5.1294 5.1311 5.6306 5.6318 6.4005 6.4787 6.5128 6.6158 6.6678 6.6788 6.7392 6.7821 6.9019 6.9120 7.0189 7.1509 7.3394 7.3893 7.5784 7.6425 7.7820 7.8338 8.3778 8.4043 11.2464 11.2507 11.8436 11.8586 12.6558 12.6633 12.7606 12.7664 13.0441 13.0494 k =-0.1569 0.1968 0.2517 ( 4050 PWs) bands (ev): -7.4532 -7.4531 -5.3799 -5.3786 -5.1187 -5.1181 -4.7687 -4.7673 -0.9342 -0.9321 1.1405 1.1531 1.6653 1.6725 2.5963 2.6161 2.7711 2.7784 3.2174 3.2296 3.8926 3.9050 4.3756 4.3933 4.5303 4.5324 5.0597 5.0709 5.1342 5.1390 5.6334 5.6358 6.4012 6.4754 6.5107 6.6188 6.6717 6.6868 6.7424 6.7848 6.9088 6.9149 7.0209 7.1591 7.3633 7.4094 7.6157 7.6734 7.7763 7.8247 8.3842 8.4112 11.2557 11.2610 11.7647 11.7799 12.6939 12.7011 12.7435 12.7490 12.9209 12.9259 k =-0.1490 0.1869 0.2391 ( 4044 PWs) bands (ev): -7.4827 -7.4826 -5.3385 -5.3372 -5.0993 -5.0988 -4.7657 -4.7644 -0.9729 -0.9710 1.1567 1.1694 1.6618 1.6691 2.5818 2.6017 2.7643 2.7716 3.1650 3.1772 3.8854 3.9006 4.3627 4.3774 4.5862 4.5883 5.0565 5.0691 5.1395 5.1471 5.6318 5.6376 6.4028 6.4717 6.5092 6.6234 6.6765 6.6956 6.7455 6.7876 6.9144 6.9174 7.0236 7.1672 7.3833 7.4237 7.6564 7.7049 7.7818 7.8226 8.3930 8.4203 11.2531 11.2599 11.6983 11.7128 12.7163 12.7166 12.7319 12.7343 12.8004 12.8045 k =-0.1412 0.1771 0.2265 ( 4051 PWs) bands (ev): -7.5111 -7.5109 -5.2979 -5.2967 -5.0803 -5.0798 -4.7630 -4.7618 -1.0105 -1.0087 1.1754 1.1882 1.6606 1.6679 2.5651 2.5851 2.7579 2.7656 3.1104 3.1224 3.8693 3.8870 4.3604 4.3724 4.6379 4.6400 5.0554 5.0691 5.1452 5.1552 5.6276 5.6364 6.4047 6.4674 6.5086 6.6294 6.6822 6.7051 6.7485 6.7905 6.9188 6.9194 7.0265 7.1748 7.3981 7.4309 7.6999 7.7365 7.8001 7.8284 8.4040 8.4313 11.2328 11.2417 11.6512 11.6640 12.6676 12.6738 12.6946 12.6990 12.7523 12.7560 k =-0.1334 0.1673 0.2139 ( 4051 PWs) bands (ev): -7.5382 -7.5381 -5.2583 -5.2571 -5.0616 -5.0612 -4.7606 -4.7595 -1.0468 -1.0452 1.1967 1.2095 1.6618 1.6691 2.5462 2.5664 2.7518 2.7600 3.0543 3.0657 3.8446 3.8641 4.3685 4.3783 4.6839 4.6861 5.0575 5.0720 5.1513 5.1633 5.6209 5.6326 6.4068 6.4627 6.5093 6.6369 6.6887 6.7153 6.7512 6.7935 6.9214 6.9224 7.0293 7.1813 7.4071 7.4309 7.7461 7.7694 7.8300 7.8430 8.4172 8.4442 11.1918 11.2031 11.6270 11.6378 12.5584 12.5651 12.6475 12.6514 12.7602 12.7625 k =-0.1255 0.1574 0.2013 ( 4043 PWs) bands (ev): -7.5640 -7.5639 -5.2199 -5.2187 -5.0434 -5.0430 -4.7585 -4.7574 -1.0818 -1.0803 1.2205 1.2335 1.6653 1.6727 2.5255 2.5457 2.7455 2.7545 2.9972 3.0078 3.8129 3.8334 4.3854 4.3938 4.7230 4.7252 5.0638 5.0789 5.1577 5.1716 5.6121 5.6263 6.4086 6.4576 6.5117 6.6457 6.6960 6.7258 6.7539 6.7965 6.9234 6.9257 7.0314 7.1866 7.4106 7.4252 7.7943 7.8056 7.8659 7.8674 8.4322 8.4586 11.1331 11.1465 11.6232 11.6320 12.4462 12.4524 12.6024 12.6048 12.7487 12.7495 k =-0.1177 0.1476 0.1887 ( 4049 PWs) bands (ev): -7.5886 -7.5885 -5.1828 -5.1816 -5.0258 -5.0255 -4.7566 -4.7557 -1.1153 -1.1140 1.2469 1.2600 1.6711 1.6786 2.5030 2.5232 2.7381 2.7484 2.9405 2.9495 3.7761 3.7970 4.4092 4.4165 4.7538 4.7563 5.0754 5.0905 5.1644 5.1800 5.6014 5.6178 6.4097 6.4522 6.5162 6.6555 6.7040 6.7363 6.7566 6.7994 6.9257 6.9288 7.0325 7.1902 7.4092 7.4155 7.8441 7.8458 7.8962 7.9094 8.4488 8.4743 11.0634 11.0781 11.6335 11.6410 12.3373 12.3434 12.5536 12.5545 12.7156 12.7162 k =-0.1098 0.1377 0.1762 ( 4049 PWs) bands (ev): -7.6118 -7.6117 -5.1471 -5.1460 -5.0088 -5.0085 -4.7550 -4.7542 -1.1473 -1.1461 1.2760 1.2891 1.6793 1.6869 2.4789 2.4990 2.7274 2.7402 2.8862 2.8927 3.7362 3.7570 4.4378 4.4446 4.7762 4.7791 5.0925 5.1073 5.1714 5.1886 5.5892 5.6075 6.4098 6.4464 6.5230 6.6662 6.7129 6.7459 6.7600 6.8023 6.9286 6.9320 7.0326 7.1920 7.4033 7.4042 7.8897 7.8949 7.9326 7.9541 8.4668 8.4910 10.9883 11.0037 11.6526 11.6591 12.2329 12.2388 12.5012 12.5017 12.6641 12.6654 k =-0.1020 0.1279 0.1636 ( 4049 PWs) bands (ev): -7.6335 -7.6334 -5.1129 -5.1119 -4.9925 -4.9923 -4.7538 -4.7530 -1.1776 -1.1765 1.3076 1.3209 1.6897 1.6974 2.4534 2.4733 2.7090 2.7257 2.8391 2.8414 3.6948 3.7150 4.4696 4.4760 4.7905 4.7941 5.1143 5.1286 5.1788 5.1974 5.5756 5.5955 6.4090 6.4406 6.5323 6.6772 6.7229 6.7529 6.7655 6.8050 6.9323 6.9356 7.0313 7.1918 7.3901 7.3966 7.9360 7.9461 7.9735 8.0001 8.4857 8.5086 10.9117 10.9274 11.6767 11.6825 12.1334 12.1391 12.4458 12.4476 12.5998 12.6017 k =-0.0941 0.1181 0.1510 ( 4057 PWs) bands (ev): -7.6538 -7.6537 -5.0806 -5.0796 -4.9770 -4.9769 -4.7527 -4.7521 -1.2062 -1.2052 1.3419 1.3553 1.7024 1.7103 2.4264 2.4461 2.6765 2.6968 2.8041 2.8056 3.6532 3.6726 4.5032 4.5094 4.7983 4.8025 5.1394 5.1532 5.1867 5.2067 5.5608 5.5821 6.4072 6.4347 6.5439 6.6879 6.7341 6.7566 6.7736 6.8074 6.9370 6.9396 7.0288 7.1896 7.3765 7.3873 7.9840 7.9970 8.0177 8.0468 8.5054 8.5266 10.8362 10.8518 11.7035 11.7088 12.0393 12.0449 12.3891 12.3921 12.5279 12.5300 k =-0.0863 0.1082 0.1384 ( 4053 PWs) bands (ev): -7.6726 -7.6725 -5.0501 -5.0491 -4.9624 -4.9623 -4.7520 -4.7515 -1.2329 -1.2321 1.3787 1.3922 1.7173 1.7254 2.3982 2.4175 2.6288 2.6498 2.7846 2.7870 3.6124 3.6308 4.5375 4.5436 4.8013 4.8060 5.1660 5.1794 5.1950 5.2167 5.5450 5.5675 6.4048 6.4287 6.5576 6.6980 6.7468 6.7587 6.7824 6.8098 6.9428 6.9440 7.0252 7.1852 7.3634 7.3772 8.0327 8.0469 8.0638 8.0933 8.5255 8.5448 10.7632 10.7785 11.7317 11.7365 11.9511 11.9566 12.3320 12.3361 12.4523 12.4544 k =-0.0784 0.0984 0.1258 ( 4061 PWs) bands (ev): -7.6898 -7.6898 -5.0217 -5.0208 -4.9487 -4.9487 -4.7515 -4.7511 -1.2578 -1.2570 1.4181 1.4317 1.7344 1.7426 2.3688 2.3878 2.5718 2.5920 2.7757 2.7776 3.5733 3.5904 4.5717 4.5776 4.8010 4.8060 5.1921 5.2032 5.2067 5.2279 5.5284 5.5518 6.4019 6.4229 6.5731 6.7069 6.7600 6.7609 6.7908 6.8120 6.9483 6.9497 7.0209 7.1787 7.3508 7.3667 8.0811 8.0955 8.1106 8.1388 8.5455 8.5629 10.6940 10.7088 11.7600 11.7644 11.8693 11.8745 12.2754 12.2803 12.3758 12.3780 k =-0.0706 0.0885 0.1132 ( 4061 PWs) bands (ev): -7.7055 -7.7055 -4.9954 -4.9946 -4.9360 -4.9360 -4.7512 -4.7509 -1.2805 -1.2799 1.4599 1.4737 1.7534 1.7619 2.3384 2.3570 2.5103 2.5296 2.7714 2.7726 3.5365 3.5523 4.6049 4.6105 4.7986 4.8038 5.2132 5.2156 5.2318 5.2415 5.5110 5.5352 6.3988 6.4172 6.5901 6.7146 6.7610 6.7755 6.7985 6.8150 6.9519 6.9576 7.0166 7.1701 7.3393 7.3563 8.1286 8.1423 8.1567 8.1827 8.5653 8.5806 10.6294 10.6434 11.7872 11.7918 11.7941 11.7997 12.2201 12.2257 12.3007 12.3029 k =-0.0628 0.0787 0.1007 ( 4065 PWs) bands (ev): -7.7196 -7.7196 -4.9715 -4.9708 -4.9244 -4.9243 -4.7512 -4.7509 -1.3012 -1.3006 1.5041 1.5181 1.7744 1.7830 2.3072 2.3252 2.4466 2.4651 2.7692 2.7699 3.5025 3.5169 4.6365 4.6418 4.7949 4.8002 5.2235 5.2342 5.2558 5.2589 5.4930 5.5178 6.3957 6.4117 6.6084 6.7212 6.7616 6.7886 6.8053 6.8201 6.9540 6.9662 7.0132 7.1594 7.3288 7.3462 8.1741 8.1869 8.2010 8.2243 8.5843 8.5975 10.5701 10.5830 11.7260 11.7305 11.8145 11.8178 12.1672 12.1730 12.2289 12.2311 k =-0.0549 0.0689 0.0881 ( 4069 PWs) bands (ev): -7.7322 -7.7321 -4.9501 -4.9494 -4.9139 -4.9138 -4.7513 -4.7511 -1.3196 -1.3192 1.5507 1.5648 1.7971 1.8060 2.2754 2.2927 2.3818 2.3997 2.7680 2.7685 3.4718 3.4846 4.6659 4.6707 4.7908 4.7959 5.2347 5.2491 5.2775 5.2786 5.4745 5.4998 6.3927 6.4066 6.6276 6.7268 6.7621 6.7966 6.8113 6.8302 6.9534 6.9752 7.0120 7.1469 7.3196 7.3365 8.2170 8.2285 8.2427 8.2629 8.6023 8.6134 10.5165 10.5283 11.6653 11.6694 11.8392 11.8421 12.1175 12.1234 12.1618 12.1640 k =-0.0471 0.0590 0.0755 ( 4073 PWs) bands (ev): -7.7430 -7.7430 -4.9312 -4.9306 -4.9045 -4.9044 -4.7516 -4.7515 -1.3358 -1.3354 1.5995 1.6138 1.8214 1.8304 2.2432 2.2597 2.3166 2.3340 2.7675 2.7677 3.4448 3.4559 4.6926 4.6967 4.7865 4.7915 5.2468 5.2628 5.2967 5.2979 5.4556 5.4813 6.3899 6.4017 6.6474 6.7315 6.7623 6.7994 6.8167 6.8445 6.9506 6.9841 7.0131 7.1326 7.3117 7.3276 8.2563 8.2663 8.2808 8.2979 8.6188 8.6279 10.4693 10.4798 11.6122 11.6160 11.8616 11.8640 12.0720 12.0777 12.1008 12.1031 k =-0.0392 0.0492 0.0629 ( 4075 PWs) bands (ev): -7.7523 -7.7522 -4.9151 -4.9146 -4.8964 -4.8963 -4.7520 -4.7519 -1.3496 -1.3493 1.6504 1.6650 1.8469 1.8559 2.2111 2.2265 2.2515 2.2685 2.7673 2.7674 3.4217 3.4311 4.7160 4.7192 4.7826 4.7872 5.2599 5.2764 5.3129 5.3154 5.4364 5.4626 6.3876 6.3974 6.6674 6.7355 6.7625 6.7991 6.8217 6.8590 6.9473 6.9925 7.0161 7.1168 7.3051 7.3194 8.2912 8.2996 8.3148 8.3287 8.6336 8.6408 10.4288 10.4378 11.5671 11.5703 11.8813 11.8831 12.0315 12.0369 12.0471 12.0496 k =-0.0314 0.0394 0.0503 ( 4079 PWs) bands (ev): -7.7598 -7.7598 -4.9018 -4.9013 -4.8895 -4.8895 -4.7524 -4.7523 -1.3610 -1.3607 1.7034 1.7182 1.8730 1.8819 2.1797 2.1867 2.1927 2.2045 2.7673 2.7674 3.4028 3.4103 4.7357 4.7379 4.7792 4.7836 5.2740 5.2904 5.3259 5.3306 5.4170 5.4438 6.3857 6.3936 6.6870 6.7387 6.7627 6.7969 6.8266 6.8693 6.9474 6.9999 7.0201 7.0997 7.3001 7.3122 8.3211 8.3278 8.3439 8.3547 8.6463 8.6517 10.3954 10.4027 11.5300 11.5326 11.8978 11.8989 11.9962 12.0015 12.0023 12.0054 k =-0.0235 0.0295 0.0377 ( 4081 PWs) bands (ev): -7.7657 -7.7657 -4.8914 -4.8911 -4.8840 -4.8840 -4.7528 -4.7528 -1.3699 -1.3697 1.7582 1.7733 1.8992 1.9073 2.1227 2.1376 2.1501 2.1639 2.7674 2.7674 3.3881 3.3938 4.7513 4.7522 4.7768 4.7809 5.2893 5.3047 5.3356 5.3434 5.3976 5.4252 6.3845 6.3904 6.7055 6.7412 6.7631 6.7932 6.8317 6.8718 6.9544 7.0056 7.0242 7.0818 7.2965 7.3060 8.3451 8.3501 8.3676 8.3754 8.6566 8.6605 10.3693 10.3749 11.5011 11.5032 11.9105 11.9107 11.9647 11.9657 11.9741 11.9741 k =-0.0157 0.0197 0.0252 ( 4083 PWs) bands (ev): -7.7700 -7.7699 -4.8842 -4.8839 -4.8798 -4.8797 -4.7532 -4.7531 -1.3763 -1.3761 1.8146 1.8301 1.9238 1.9301 2.0597 2.0742 2.1242 2.1352 2.7675 2.7675 3.3778 3.3816 4.7617 4.7620 4.7758 4.7796 5.3055 5.3187 5.3415 5.3543 5.3783 5.4072 6.3838 6.3877 6.7217 6.7428 6.7645 6.7879 6.8374 6.8675 6.9679 7.0086 7.0281 7.0640 7.2944 7.3009 8.3629 8.3661 8.3853 8.3903 8.6643 8.6667 10.3507 10.3545 11.4806 11.4819 11.9172 11.9179 11.9401 11.9405 11.9543 11.9548 k =-0.0078 0.0098 0.0126 ( 4087 PWs) bands (ev): -7.7725 -7.7725 -4.8802 -4.8800 -4.8768 -4.8768 -4.7534 -4.7534 -1.3801 -1.3800 1.8720 1.8881 1.9441 1.9457 1.9991 2.0119 2.1061 2.1126 2.7676 2.7676 3.3720 3.3739 4.7662 4.7667 4.7773 4.7797 5.3226 5.3312 5.3433 5.3589 5.3649 5.3906 6.3837 6.3857 6.7339 6.7430 6.7677 6.7811 6.8439 6.8598 6.9841 7.0072 7.0320 7.0483 7.2938 7.2971 8.3740 8.3756 8.3965 8.3990 8.6692 8.6704 10.3400 10.3419 11.4683 11.4690 11.9160 11.9164 11.9281 11.9290 11.9443 11.9453 k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -7.7733 -7.7733 -4.8789 -4.8789 -4.8757 -4.8757 -4.7535 -4.7535 -1.3814 -1.3814 1.9250 1.9250 1.9519 1.9519 1.9594 1.9594 2.1014 2.1014 2.7676 2.7676 3.3707 3.3707 4.7674 4.7674 4.7793 4.7793 5.3396 5.3396 5.3408 5.3408 5.3761 5.3761 6.3844 6.3844 6.7407 6.7407 6.7737 6.7737 6.8515 6.8515 6.9988 6.9988 7.0377 7.0377 7.2948 7.2948 8.3782 8.3782 8.4011 8.4011 8.6712 8.6712 10.3370 10.3370 11.4645 11.4645 11.9130 11.9130 11.9262 11.9262 11.9427 11.9427 k = 0.0000 0.0000 0.0000 ( 4091 PWs) bands (ev): -7.7733 -7.7733 -4.8789 -4.8789 -4.8757 -4.8757 -4.7535 -4.7535 -1.3814 -1.3814 1.9250 1.9250 1.9519 1.9519 1.9594 1.9594 2.1014 2.1014 2.7676 2.7676 3.3707 3.3707 4.7674 4.7674 4.7793 4.7793 5.3396 5.3396 5.3408 5.3408 5.3761 5.3761 6.3844 6.3844 6.7407 6.7407 6.7737 6.7737 6.8515 6.8515 6.9988 6.9988 7.0377 7.0377 7.2948 7.2948 8.3782 8.3782 8.4011 8.4011 8.6712 8.6712 10.3370 10.3370 11.4645 11.4645 11.9130 11.9130 11.9262 11.9262 11.9427 11.9427 k = 0.0139 0.0111-0.0000 ( 4083 PWs) bands (ev): -7.7724 -7.7724 -4.8791 -4.8791 -4.8759 -4.8759 -4.7564 -4.7564 -1.3783 -1.3783 1.9058 1.9058 1.9500 1.9500 1.9613 1.9613 2.1241 2.1241 2.7675 2.7675 3.3711 3.3711 4.7667 4.7667 4.7785 4.7785 5.3398 5.3398 5.3400 5.3400 5.3756 5.3756 6.3833 6.3833 6.7407 6.7407 6.7744 6.7744 6.8514 6.8514 6.9991 6.9991 7.0382 7.0382 7.2967 7.2967 8.3756 8.3756 8.3986 8.3986 8.6680 8.6680 10.3391 10.3391 11.4659 11.4659 11.9187 11.9187 11.9285 11.9285 11.9449 11.9449 k = 0.0278 0.0221-0.0000 ( 4083 PWs) bands (ev): -7.7696 -7.7696 -4.8796 -4.8796 -4.8764 -4.8764 -4.7652 -4.7652 -1.3693 -1.3693 1.8596 1.8596 1.9523 1.9523 1.9654 1.9654 2.1740 2.1740 2.7670 2.7670 3.3723 3.3723 4.7644 4.7644 4.7763 4.7763 5.3366 5.3366 5.3406 5.3406 5.3743 5.3743 6.3800 6.3800 6.7405 6.7405 6.7765 6.7765 6.8511 6.8511 7.0001 7.0001 7.0397 7.0397 7.3023 7.3023 8.3678 8.3678 8.3912 8.3912 8.6587 8.6587 10.3453 10.3453 11.4702 11.4702 11.9347 11.9347 11.9362 11.9362 11.9513 11.9513 k = 0.0417 0.0332-0.0000 ( 4079 PWs) bands (ev): -7.7650 -7.7650 -4.8805 -4.8805 -4.8773 -4.8773 -4.7798 -4.7798 -1.3544 -1.3544 1.8042 1.8042 1.9584 1.9584 1.9720 1.9720 2.2337 2.2337 2.7663 2.7663 3.3744 3.3744 4.7606 4.7606 4.7726 4.7726 5.3302 5.3302 5.3417 5.3417 5.3729 5.3729 6.3747 6.3747 6.7396 6.7396 6.7804 6.7804 6.8507 6.8507 7.0019 7.0019 7.0423 7.0423 7.3117 7.3117 8.3550 8.3550 8.3790 8.3790 8.6434 8.6434 10.3558 10.3558 11.4773 11.4773 11.9462 11.9462 11.9616 11.9616 11.9636 11.9636 k = 0.0556 0.0443-0.0000 ( 4083 PWs) bands (ev): -7.7585 -7.7585 -4.8817 -4.8817 -4.8785 -4.8785 -4.7999 -4.7999 -1.3337 -1.3337 1.7462 1.7462 1.9673 1.9673 1.9811 1.9811 2.2974 2.2974 2.7653 2.7653 3.3774 3.3774 4.7553 4.7553 4.7674 4.7674 5.3199 5.3199 5.3433 5.3433 5.3722 5.3722 6.3679 6.3679 6.7373 6.7373 6.7859 6.7859 6.8501 6.8501 7.0043 7.0043 7.0458 7.0458 7.3244 7.3244 8.3374 8.3374 8.3622 8.3622 8.6228 8.6228 10.3705 10.3705 11.4872 11.4872 11.9610 11.9610 11.9757 11.9757 12.0015 12.0015 k = 0.0694 0.0554-0.0000 ( 4083 PWs) bands (ev): -7.7502 -7.7502 -4.8832 -4.8832 -4.8800 -4.8800 -4.8253 -4.8253 -1.3077 -1.3077 1.6875 1.6875 1.9788 1.9788 1.9928 1.9928 2.3630 2.3630 2.7642 2.7642 3.3813 3.3813 4.7485 4.7485 4.7607 4.7607 5.3054 5.3054 5.3453 5.3453 5.3724 5.3724 6.3600 6.3600 6.7336 6.7336 6.7929 6.7929 6.8495 6.8495 7.0076 7.0076 7.0504 7.0504 7.3405 7.3405 8.3153 8.3153 8.3412 8.3412 8.5974 8.5974 10.3894 10.3894 11.5000 11.5000 11.9791 11.9791 11.9928 11.9928 12.0484 12.0484 k = 0.0833 0.0664-0.0000 ( 4095 PWs) bands (ev): -7.7401 -7.7401 -4.8850 -4.8850 -4.8819 -4.8819 -4.8557 -4.8557 -1.2766 -1.2766 1.6290 1.6290 1.9928 1.9928 2.0070 2.0070 2.4298 2.4298 2.7629 2.7629 3.3861 3.3861 4.7402 4.7402 4.7525 4.7525 5.2867 5.2867 5.3476 5.3476 5.3736 5.3736 6.3513 6.3513 6.7282 6.7282 6.8007 6.8007 6.8489 6.8489 7.0116 7.0116 7.0561 7.0561 7.3595 7.3595 8.2892 8.2892 8.3163 8.3163 8.5679 8.5679 10.4127 10.4127 11.5156 11.5156 11.9997 11.9997 12.0122 12.0122 12.1013 12.1013 k = 0.0972 0.0775-0.0000 ( 4095 PWs) bands (ev): -7.7281 -7.7281 -4.8911 -4.8911 -4.8869 -4.8869 -4.8840 -4.8840 -1.2407 -1.2407 1.5711 1.5711 2.0093 2.0093 2.0236 2.0236 2.4973 2.4973 2.7617 2.7617 3.3919 3.3919 4.7305 4.7305 4.7429 4.7429 5.2640 5.2640 5.3502 5.3502 5.3755 5.3755 6.3423 6.3423 6.7214 6.7214 6.8088 6.8088 6.8487 6.8487 7.0166 7.0166 7.0630 7.0630 7.3810 7.3810 8.2595 8.2595 8.2880 8.2880 8.5352 8.5352 10.4404 10.4404 11.5341 11.5341 12.0219 12.0219 12.0332 12.0332 12.1451 12.1451 k = 0.1111 0.0886-0.0000 ( 4095 PWs) bands (ev): -7.7143 -7.7143 -4.9303 -4.9303 -4.8895 -4.8895 -4.8865 -4.8865 -1.2005 -1.2005 1.5140 1.5140 2.0282 2.0282 2.0426 2.0426 2.5651 2.5651 2.7605 2.7605 3.3987 3.3987 4.7193 4.7193 4.7319 4.7319 5.2374 5.2374 5.3531 5.3531 5.3780 5.3780 6.3332 6.3332 6.7131 6.7131 6.8161 6.8161 6.8491 6.8491 7.0226 7.0226 7.0709 7.0709 7.4048 7.4048 8.2268 8.2268 8.2567 8.2567 8.5000 8.5000 10.4725 10.4725 11.5554 11.5554 12.0447 12.0447 12.0546 12.0546 12.1204 12.1204 k = 0.1250 0.0997-0.0000 ( 4095 PWs) bands (ev): -7.6986 -7.6986 -4.9737 -4.9737 -4.8921 -4.8921 -4.8892 -4.8892 -1.1564 -1.1564 1.4579 1.4579 2.0495 2.0495 2.0640 2.0640 2.6329 2.6329 2.7597 2.7597 3.4066 3.4066 4.7068 4.7068 4.7195 4.7195 5.2069 5.2069 5.3563 5.3563 5.3808 5.3808 6.3244 6.3244 6.7034 6.7034 6.8218 6.8218 6.8509 6.8509 7.0296 7.0296 7.0798 7.0798 7.4303 7.4303 8.1915 8.1915 8.2231 8.2231 8.4631 8.4631 10.5091 10.5091 11.5796 11.5796 12.0538 12.0538 12.0690 12.0690 12.0774 12.0774 k = 0.1389 0.1107-0.0000 ( 4086 PWs) bands (ev): -7.6812 -7.6812 -5.0207 -5.0207 -4.8950 -4.8950 -4.8922 -4.8922 -1.1088 -1.1088 1.4029 1.4029 2.0730 2.0730 2.0876 2.0876 2.7002 2.7002 2.7597 2.7597 3.4156 3.4156 4.6929 4.6929 4.7057 4.7057 5.1727 5.1727 5.3596 5.3596 5.3840 5.3840 6.3161 6.3161 6.6924 6.6924 6.8252 6.8252 6.8545 6.8545 7.0377 7.0377 7.0897 7.0897 7.4572 7.4572 8.1542 8.1542 8.1876 8.1876 8.4252 8.4252 10.5502 10.5502 11.6065 11.6065 11.9872 11.9872 12.0884 12.0884 12.0958 12.0958 k = 0.1528 0.1218-0.0000 ( 4074 PWs) bands (ev): -7.6619 -7.6619 -5.0710 -5.0710 -4.8981 -4.8981 -4.8953 -4.8953 -1.0582 -1.0582 1.3489 1.3489 2.0987 2.0987 2.1134 2.1134 2.7537 2.7537 2.7737 2.7737 3.4257 3.4257 4.6776 4.6776 4.6905 4.6905 5.1349 5.1349 5.3630 5.3630 5.3873 5.3873 6.3085 6.3085 6.6801 6.6801 6.8265 6.8265 6.8595 6.8595 7.0468 7.0468 7.1003 7.1003 7.4849 7.4849 8.1156 8.1156 8.1508 8.1508 8.3870 8.3870 10.5959 10.5959 11.6364 11.6364 11.9174 11.9174 12.1057 12.1057 12.1123 12.1123 k = 0.1667 0.1329-0.0000 ( 4070 PWs) bands (ev): -7.6409 -7.6409 -5.1241 -5.1241 -4.9014 -4.9014 -4.8987 -4.8987 -1.0049 -1.0049 1.2961 1.2961 2.1265 2.1265 2.1413 2.1413 2.7580 2.7580 2.8371 2.8371 3.4368 3.4368 4.6610 4.6610 4.6739 4.6739 5.0933 5.0933 5.3666 5.3666 5.3909 5.3909 6.3016 6.3016 6.6666 6.6666 6.8263 6.8263 6.8649 6.8649 7.0569 7.0569 7.1115 7.1115 7.5131 7.5131 8.0762 8.0762 8.1134 8.1134 8.3489 8.3489 10.6461 10.6461 11.6690 11.6690 11.8480 11.8480 12.1186 12.1186 12.1247 12.1247 k = 0.1806 0.1440-0.0000 ( 4054 PWs) bands (ev): -7.6181 -7.6181 -5.1798 -5.1798 -4.9049 -4.9049 -4.9022 -4.9022 -0.9495 -0.9495 1.2444 1.2444 2.1562 2.1562 2.1712 2.1712 2.7599 2.7599 2.9031 2.9031 3.4491 3.4491 4.6431 4.6431 4.6560 4.6560 5.0482 5.0482 5.3702 5.3702 5.3945 5.3945 6.2955 6.2955 6.6522 6.6522 6.8254 6.8254 6.8702 6.8702 7.0678 7.0678 7.1231 7.1231 7.5412 7.5412 8.0368 8.0368 8.0759 8.0759 8.3114 8.3114 10.7006 10.7006 11.7045 11.7045 11.7799 11.7799 12.1255 12.1255 12.1318 12.1318 k = 0.1944 0.1550-0.0000 ( 4050 PWs) bands (ev): -7.5935 -7.5935 -5.2376 -5.2376 -4.9085 -4.9085 -4.9059 -4.9059 -0.8922 -0.8922 1.1939 1.1939 2.1878 2.1878 2.2029 2.2029 2.7626 2.7626 2.9685 2.9685 3.4623 3.4623 4.6240 4.6240 4.6368 4.6368 4.9996 4.9996 5.3739 5.3739 5.3981 5.3981 6.2903 6.2903 6.6368 6.6368 6.8239 6.8239 6.8749 6.8749 7.0792 7.0792 7.1346 7.1346 7.5690 7.5690 7.9979 7.9979 8.0391 8.0391 8.2750 8.2750 10.7596 10.7596 11.7133 11.7133 11.7431 11.7431 12.1254 12.1254 12.1323 12.1323 k = 0.2083 0.1661-0.0000 ( 4042 PWs) bands (ev): -7.5671 -7.5671 -5.2974 -5.2974 -4.9121 -4.9121 -4.9096 -4.9096 -0.8336 -0.8336 1.1446 1.1446 2.2212 2.2212 2.2363 2.2363 2.7667 2.7667 3.0327 3.0327 3.4766 3.4766 4.6035 4.6035 4.6163 4.6163 4.9477 4.9477 5.3775 5.3775 5.4017 5.4017 6.2860 6.2860 6.6207 6.6207 6.8223 6.8223 6.8789 6.8789 7.0909 7.0909 7.1460 7.1460 7.5960 7.5960 7.9602 7.9602 8.0036 8.0036 8.2399 8.2399 10.8227 10.8227 11.6496 11.6496 11.7840 11.7840 12.1174 12.1174 12.1252 12.1252 k = 0.2222 0.1772-0.0000 ( 4026 PWs) bands (ev): -7.5390 -7.5390 -5.3588 -5.3588 -4.9159 -4.9159 -4.9135 -4.9135 -0.7738 -0.7738 1.0964 1.0964 2.2561 2.2561 2.2713 2.2713 2.7722 2.7722 3.0957 3.0957 3.4918 3.4918 4.5818 4.5818 4.5945 4.5945 4.8927 4.8927 5.3811 5.3811 5.4052 5.4052 6.2826 6.2826 6.6042 6.6042 6.8206 6.8206 6.8820 6.8820 7.1023 7.1023 7.1566 7.1566 7.6218 7.6218 7.9244 7.9244 7.9700 7.9700 8.2065 8.2065 10.8897 10.8897 11.5885 11.5885 11.8279 11.8279 12.1012 12.1012 12.1099 12.1099 k = 0.2361 0.1882-0.0000 ( 4026 PWs) bands (ev): -7.5092 -7.5092 -5.4216 -5.4216 -4.9197 -4.9197 -4.9174 -4.9174 -0.7134 -0.7134 1.0493 1.0493 2.2925 2.2925 2.3078 2.3078 2.7796 2.7796 3.1571 3.1571 3.5078 3.5078 4.5589 4.5589 4.5715 4.5715 4.8346 4.8346 5.3846 5.3846 5.4086 5.4086 6.2801 6.2801 6.5871 6.5871 6.8188 6.8188 6.8843 6.8843 7.1132 7.1132 7.1661 7.1661 7.6462 7.6462 7.8913 7.8913 7.9392 7.9392 8.1749 8.1749 10.9602 10.9602 11.5305 11.5305 11.8744 11.8744 12.0768 12.0768 12.0862 12.0862 k = 0.2500 0.1993-0.0000 ( 4026 PWs) bands (ev): -7.4776 -7.4776 -5.4855 -5.4855 -4.9235 -4.9235 -4.9213 -4.9213 -0.6526 -0.6526 1.0033 1.0033 2.3302 2.3302 2.3455 2.3455 2.7890 2.7890 3.2166 3.2166 3.5246 3.5246 4.5349 4.5349 4.5473 4.5473 4.7736 4.7736 5.3881 5.3881 5.4118 5.4118 6.2784 6.2784 6.5698 6.5698 6.8170 6.8170 6.8859 6.8859 7.1230 7.1230 7.1739 7.1739 7.6689 7.6689 7.8615 7.8615 7.9117 7.9117 8.1452 8.1452 11.0338 11.0338 11.4760 11.4760 11.9235 11.9235 12.0444 12.0444 12.0545 12.0545 k = 0.2639 0.2104-0.0000 ( 4030 PWs) bands (ev): -7.4444 -7.4444 -5.5503 -5.5503 -4.9274 -4.9274 -4.9252 -4.9252 -0.5918 -0.5918 0.9584 0.9584 2.3690 2.3690 2.3843 2.3843 2.8007 2.8007 3.2741 3.2741 3.5421 3.5421 4.5097 4.5097 4.5220 4.5220 4.7101 4.7101 5.3914 5.3914 5.4149 5.4149 6.2775 6.2775 6.5525 6.5525 6.8152 6.8152 6.8866 6.8866 7.1313 7.1313 7.1797 7.1797 7.6894 7.6894 7.8357 7.8357 7.8884 7.8884 8.1175 8.1175 11.1099 11.1099 11.4252 11.4252 11.9746 11.9746 12.0049 12.0049 12.0160 12.0160 k = 0.2778 0.2215-0.0000 ( 4022 PWs) bands (ev): -7.4095 -7.4095 -5.6158 -5.6158 -4.9311 -4.9311 -4.9291 -4.9291 -0.5311 -0.5311 0.9145 0.9145 2.4087 2.4087 2.4240 2.4240 2.8149 2.8149 3.3293 3.3293 3.5602 3.5602 4.4836 4.4836 4.4958 4.4958 4.6443 4.6443 5.3947 5.3947 5.4177 5.4177 6.2775 6.2775 6.5353 6.5353 6.8136 6.8136 6.8867 6.8867 7.1376 7.1376 7.1830 7.1830 7.7075 7.7075 7.8145 7.8145 7.8701 7.8701 8.0918 8.0918 11.1875 11.1875 11.3784 11.3784 11.9592 11.9592 11.9692 11.9692 12.0297 12.0297 k = 0.2917 0.2325-0.0000 ( 4022 PWs) bands (ev): -7.3729 -7.3729 -5.6819 -5.6819 -4.9348 -4.9348 -4.9329 -4.9329 -0.4710 -0.4710 0.8716 0.8716 2.4491 2.4491 2.4644 2.4644 2.8317 2.8317 3.3819 3.3819 3.5786 3.5786 4.4566 4.4566 4.4686 4.4686 4.5763 4.5763 5.3979 5.3979 5.4204 5.4204 6.2781 6.2781 6.5184 6.5184 6.8121 6.8121 6.8861 6.8861 7.1417 7.1417 7.1835 7.1835 7.7228 7.7228 7.7983 7.7983 7.8571 7.8571 8.0682 8.0682 11.2652 11.2652 11.3361 11.3361 11.9086 11.9086 11.9191 11.9191 12.0847 12.0847 k = 0.3056 0.2436-0.0000 ( 4022 PWs) bands (ev): -7.3347 -7.3347 -5.7482 -5.7482 -4.9384 -4.9384 -4.9366 -4.9366 -0.4115 -0.4115 0.8296 0.8296 2.4899 2.4899 2.5051 2.5051 2.8514 2.8514 3.4317 3.4317 3.5974 3.5974 4.4287 4.4287 4.4407 4.4407 4.5066 4.5066 5.4010 5.4010 5.4227 5.4227 6.2794 6.2794 6.5019 6.5019 6.8107 6.8107 6.8848 6.8848 7.1432 7.1432 7.1812 7.1812 7.7354 7.7354 7.7872 7.7872 7.8498 7.8498 8.0465 8.0465 11.2953 11.2953 11.3449 11.3449 11.8545 11.8545 11.8650 11.8650 12.1405 12.1405 k = 0.3194 0.2547-0.0000 ( 4026 PWs) bands (ev): -7.2949 -7.2949 -5.8148 -5.8148 -4.9419 -4.9419 -4.9402 -4.9402 -0.3530 -0.3530 0.7884 0.7884 2.5309 2.5309 2.5459 2.5459 2.8742 2.8742 3.4784 3.4784 3.6163 3.6163 4.3998 4.3998 4.4122 4.4122 4.4359 4.4359 5.4039 5.4039 5.4249 5.4249 6.2814 6.2814 6.4858 6.4858 6.8094 6.8094 6.8829 6.8829 7.1423 7.1423 7.1760 7.1760 7.7455 7.7455 7.7810 7.7810 7.8477 7.8477 8.0268 8.0268 11.2623 11.2623 11.4179 11.4179 11.7981 11.7981 11.8086 11.8086 12.1946 12.1946 k = 0.3333 0.2658-0.0000 ( 4018 PWs) bands (ev): -7.2535 -7.2535 -5.8814 -5.8814 -4.9452 -4.9452 -4.9437 -4.9437 -0.2955 -0.2955 0.7480 0.7480 2.5718 2.5718 2.5866 2.5866 2.9001 2.9001 3.5219 3.5219 3.6352 3.6352 4.3591 4.3591 4.3752 4.3752 4.3834 4.3834 5.4067 5.4067 5.4267 5.4267 6.2839 6.2839 6.4705 6.4705 6.8084 6.8084 6.8804 6.8804 7.1391 7.1391 7.1684 7.1684 7.7541 7.7541 7.7795 7.7795 7.8498 7.8498 8.0091 8.0091 11.2333 11.2333 11.4854 11.4854 11.7408 11.7408 11.7510 11.7510 12.2430 12.2430 k = 0.3472 0.2768-0.0000 ( 4018 PWs) bands (ev): -7.2105 -7.2105 -5.9479 -5.9479 -4.9484 -4.9484 -4.9469 -4.9469 -0.2393 -0.2393 0.7083 0.7083 2.6123 2.6123 2.6267 2.6267 2.9294 2.9294 3.5618 3.5618 3.6539 3.6539 4.2879 4.2879 4.3441 4.3441 4.3543 4.3543 5.4093 5.4093 5.4283 5.4283 6.2869 6.2869 6.4558 6.4558 6.8077 6.8077 6.8774 6.8774 7.1338 7.1338 7.1589 7.1589 7.7622 7.7622 7.7817 7.7817 7.8548 7.8548 7.9931 7.9931 11.2090 11.2090 11.5421 11.5421 11.6836 11.6836 11.6936 11.6936 12.2789 12.2789 k = 0.3611 0.2879-0.0000 ( 4026 PWs) bands (ev): -7.1660 -7.1660 -6.0142 -6.0142 -4.9513 -4.9513 -4.9500 -4.9500 -0.1845 -0.1845 0.6691 0.6691 2.6520 2.6520 2.6659 2.6659 2.9619 2.9619 3.5980 3.5980 3.6722 3.6722 4.2143 4.2143 4.3152 4.3152 4.3253 4.3253 5.4119 5.4119 5.4297 5.4297 6.2904 6.2904 6.4420 6.4420 6.8073 6.8073 6.8738 6.8738 7.1270 7.1270 7.1480 7.1480 7.7705 7.7705 7.7871 7.7871 7.8613 7.8613 7.9788 7.9788 11.1896 11.1896 11.5825 11.5825 11.6280 11.6280 11.6375 11.6375 12.3006 12.3006 k = 0.3750 0.2990-0.0000 ( 4038 PWs) bands (ev): -7.1200 -7.1200 -6.0802 -6.0802 -4.9540 -4.9540 -4.9529 -4.9529 -0.1311 -0.1311 0.6305 0.6305 2.6904 2.6904 2.7037 2.7037 2.9979 2.9979 3.6301 3.6301 3.6899 3.6899 4.1404 4.1404 4.2870 4.2870 4.2967 4.2967 5.4142 5.4142 5.4307 5.4307 6.2942 6.2942 6.4289 6.4289 6.8073 6.8073 6.8697 6.8697 7.1192 7.1192 7.1364 7.1364 7.7793 7.7793 7.7947 7.7947 7.8684 7.8684 7.9662 7.9662 11.1754 11.1754 11.5735 11.5735 11.5821 11.5821 11.6048 11.6048 12.3198 12.3198 k = 0.3889 0.3101-0.0000 ( 4042 PWs) bands (ev): -7.0725 -7.0725 -6.1457 -6.1457 -4.9565 -4.9565 -4.9555 -4.9555 -0.0793 -0.0793 0.5922 0.5922 2.7272 2.7272 2.7397 2.7397 3.0373 3.0373 3.6577 3.6577 3.7068 3.7068 4.0670 4.0670 4.2598 4.2598 4.2691 4.2691 5.4165 5.4165 5.4315 5.4315 6.2985 6.2985 6.4166 6.4166 6.8075 6.8075 6.8652 6.8652 7.1109 7.1109 7.1247 7.1247 7.7884 7.7884 7.8040 7.8040 7.8755 7.8755 7.9552 7.9552 11.1663 11.1663 11.5235 11.5235 11.5318 11.5318 11.6015 11.6015 12.3506 12.3506 k = 0.4028 0.3211 0.0000 ( 4042 PWs) bands (ev): -7.0236 -7.0236 -6.2107 -6.2107 -4.9588 -4.9588 -4.9578 -4.9578 -0.0289 -0.0289 0.5541 0.5541 2.7618 2.7618 2.7734 2.7734 3.0801 3.0801 3.6802 3.6802 3.7228 3.7228 3.9951 3.9951 4.2340 4.2340 4.2427 4.2427 5.4186 5.4186 5.4320 5.4320 6.3031 6.3031 6.4052 6.4052 6.8083 6.8083 6.8604 6.8604 7.1025 7.1025 7.1134 7.1134 7.7976 7.7976 7.8142 7.8142 7.8824 7.8824 7.9457 7.9457 11.1626 11.1626 11.4772 11.4772 11.4848 11.4848 11.5799 11.5799 12.3979 12.3979 k = 0.4167 0.3322-0.0000 ( 4034 PWs) bands (ev): -6.9733 -6.9733 -6.2750 -6.2750 -4.9607 -4.9607 -4.9599 -4.9599 0.0198 0.0198 0.5162 0.5162 2.7937 2.7937 2.8041 2.8041 3.1263 3.1263 3.6961 3.6961 3.7375 3.7375 3.9265 3.9265 4.2102 4.2102 4.2181 4.2181 5.4206 5.4206 5.4324 5.4324 6.3082 6.3082 6.3947 6.3947 6.8095 6.8095 6.8554 6.8554 7.0946 7.0946 7.1029 7.1029 7.8065 7.8065 7.8242 7.8242 7.8886 7.8886 7.9377 7.9377 11.1643 11.1643 11.4356 11.4356 11.4424 11.4424 11.5450 11.5450 12.4596 12.4596 k = 0.4306 0.3433-0.0000 ( 4030 PWs) bands (ev): -6.9215 -6.9215 -6.3387 -6.3387 -4.9624 -4.9624 -4.9617 -4.9617 0.0671 0.0671 0.4783 0.4783 2.8223 2.8223 2.8314 2.8314 3.1757 3.1757 3.7014 3.7014 3.7508 3.7508 3.8655 3.8655 4.1888 4.1888 4.1957 4.1957 5.4226 5.4226 5.4325 5.4325 6.3134 6.3134 6.3847 6.3847 6.8111 6.8111 6.8502 6.8502 7.0874 7.0874 7.0935 7.0935 7.8151 7.8151 7.8334 7.8334 7.8943 7.8943 7.9313 7.9313 11.1714 11.1714 11.3994 11.3994 11.4052 11.4052 11.5024 11.5024 12.5319 12.5319 k = 0.4444 0.3543-0.0000 ( 4022 PWs) bands (ev): -6.8685 -6.8685 -6.4015 -6.4015 -4.9638 -4.9638 -4.9632 -4.9632 0.1130 0.1130 0.4403 0.4403 2.8470 2.8470 2.8545 2.8545 3.2281 3.2281 3.6868 3.6868 3.7626 3.7626 3.8215 3.8215 4.1705 4.1705 4.1763 4.1763 5.4243 5.4243 5.4323 5.4323 6.3189 6.3189 6.3754 6.3754 6.8131 6.8131 6.8451 6.8451 7.0812 7.0812 7.0856 7.0856 7.8231 7.8231 7.8409 7.8409 7.8992 7.8992 7.9263 7.9263 11.1839 11.1839 11.3692 11.3692 11.3739 11.3739 11.4565 11.4565 12.6111 12.6111 k = 0.4583 0.3654-0.0000 ( 4022 PWs) bands (ev): -6.8141 -6.8141 -6.4636 -6.4636 -4.9648 -4.9648 -4.9644 -4.9644 0.1574 0.1574 0.4019 0.4019 2.8672 2.8672 2.8730 2.8730 3.2835 3.2835 3.6459 3.6459 3.7725 3.7725 3.8015 3.8015 4.1557 4.1557 4.1602 4.1602 5.4259 5.4259 5.4320 5.4320 6.3247 6.3247 6.3668 6.3668 6.8158 6.8158 6.8400 6.8400 7.0762 7.0762 7.0792 7.0792 7.8303 7.8303 7.8459 7.8459 7.9035 7.9035 7.9225 7.9225 11.2018 11.2018 11.3453 11.3453 11.3490 11.3490 11.4103 11.4103 12.6950 12.6950 k = 0.4722 0.3765-0.0000 ( 4030 PWs) bands (ev): -6.7586 -6.7586 -6.5247 -6.5247 -4.9656 -4.9656 -4.9653 -4.9653 0.2006 0.2006 0.3631 0.3631 2.8824 2.8824 2.8864 2.8864 3.3415 3.3415 3.5890 3.5890 3.7805 3.7805 3.7954 3.7954 4.1450 4.1450 4.1481 4.1481 5.4273 5.4273 5.4314 5.4314 6.3308 6.3308 6.3587 6.3587 6.8187 6.8187 6.8351 6.8351 7.0726 7.0726 7.0744 7.0744 7.8366 7.8366 7.8482 7.8482 7.9074 7.9074 7.9195 7.9195 11.2250 11.2250 11.3281 11.3281 11.3306 11.3306 11.3658 11.3658 12.7816 12.7816 k = 0.4861 0.3876-0.0000 ( 4026 PWs) bands (ev): -6.7018 -6.7018 -6.5847 -6.5847 -4.9660 -4.9660 -4.9659 -4.9659 0.2426 0.2426 0.3238 0.3238 2.8921 2.8921 2.8941 2.8941 3.4018 3.4018 3.5269 3.5269 3.7865 3.7865 3.7932 3.7932 4.1387 4.1387 4.1403 4.1403 5.4286 5.4286 5.4306 5.4306 6.3372 6.3372 6.3511 6.3511 6.8222 6.8222 6.8304 6.8304 7.0706 7.0706 7.0714 7.0714 7.8418 7.8418 7.8481 7.8481 7.9110 7.9110 7.9169 7.9169 11.2533 11.2533 11.3179 11.3179 11.3193 11.3193 11.3244 11.3244 12.8700 12.8700 k = 0.5000 0.3986-0.0000 ( 4038 PWs) bands (ev): -6.6438 -6.6438 -6.6438 -6.6438 -4.9661 -4.9661 -4.9661 -4.9661 0.2836 0.2836 0.2836 0.2836 2.8960 2.8960 2.8960 2.8960 3.4639 3.4639 3.4639 3.4639 3.7906 3.7906 3.7906 3.7906 4.1371 4.1371 4.1371 4.1371 5.4297 5.4297 5.4297 5.4297 6.3439 6.3439 6.3439 6.3439 6.8261 6.8261 6.8261 6.8261 7.0701 7.0701 7.0701 7.0701 7.8457 7.8457 7.8457 7.8457 7.9141 7.9141 7.9141 7.9141 11.2865 11.2865 11.2865 11.2865 11.3151 11.3151 11.3151 11.3151 12.9593 12.9593 k = 0.5000 0.3986-0.0000 ( 4038 PWs) bands (ev): -6.6438 -6.6438 -6.6438 -6.6438 -4.9661 -4.9661 -4.9661 -4.9661 0.2836 0.2836 0.2836 0.2836 2.8960 2.8960 2.8960 2.8960 3.4639 3.4639 3.4639 3.4639 3.7906 3.7906 3.7906 3.7906 4.1371 4.1371 4.1371 4.1371 5.4297 5.4297 5.4297 5.4297 6.3439 6.3439 6.3439 6.3439 6.8261 6.8261 6.8261 6.8261 7.0701 7.0701 7.0701 7.0701 7.8457 7.8457 7.8457 7.8457 7.9141 7.9141 7.9141 7.9141 11.2865 11.2865 11.2865 11.2865 11.3151 11.3151 11.3151 11.3151 12.9593 12.9593 k = 0.4922 0.4084 0.0124 ( 4034 PWs) bands (ev): -6.6438 -6.6438 -6.6430 -6.6430 -4.9676 -4.9676 -4.9660 -4.9658 0.2830 0.2835 0.2860 0.2862 2.8898 2.8914 2.8948 2.8949 3.4578 3.4590 3.4661 3.4700 3.7879 3.7881 3.7912 3.7955 4.1376 4.1386 4.1425 4.1431 5.4266 5.4277 5.4300 5.4309 6.3421 6.3440 6.3444 6.3479 6.8118 6.8227 6.8287 6.8385 7.0584 7.0677 7.0698 7.0850 7.8104 7.8416 7.8476 7.8729 7.8899 7.9109 7.9188 7.9478 11.2335 11.2350 11.2895 11.2901 11.3158 11.3163 11.3688 11.3688 12.9616 12.9624 k = 0.4845 0.4181 0.0249 ( 4026 PWs) bands (ev): -6.6437 -6.6437 -6.6406 -6.6406 -4.9721 -4.9721 -4.9654 -4.9652 0.2815 0.2825 0.2935 0.2938 2.8759 2.8800 2.8876 2.8884 3.4417 3.4441 3.4759 3.4834 3.7801 3.7805 3.7973 3.8058 4.1400 4.1420 4.1586 4.1598 5.4210 5.4248 5.4279 5.4311 6.3422 6.3445 6.3454 6.3539 6.7964 6.8187 6.8307 6.8480 7.0509 7.0629 7.0668 7.1022 7.7752 7.8304 7.8479 7.8523 7.9084 7.9116 7.9329 7.9828 11.1707 11.1730 11.2992 11.3004 11.3184 11.3195 11.4352 11.4359 12.9692 12.9710 k = 0.4767 0.4278 0.0373 ( 4022 PWs) bands (ev): -6.6436 -6.6436 -6.6367 -6.6366 -4.9796 -4.9795 -4.9645 -4.9641 0.2792 0.2806 0.3058 0.3064 2.8556 2.8619 2.8755 2.8772 3.4170 3.4204 3.4922 3.5028 3.7679 3.7685 3.8089 3.8215 4.1440 4.1470 4.1839 4.1855 5.4130 5.4209 5.4232 5.4304 6.3443 6.3456 6.3468 6.3619 6.7806 6.8138 6.8321 6.8537 7.0481 7.0560 7.0611 7.1209 7.7407 7.8050 7.8374 7.8463 7.9070 7.9227 7.9661 8.0184 11.1097 11.1127 11.3155 11.3172 11.3232 11.3247 11.5029 11.5042 12.9816 12.9846 k = 0.4690 0.4375 0.0497 ( 4020 PWs) bands (ev): -6.6435 -6.6435 -6.6311 -6.6309 -4.9898 -4.9897 -4.9632 -4.9627 0.2761 0.2779 0.3229 0.3236 2.8302 2.8383 2.8591 2.8617 3.3854 3.3897 3.5135 3.5265 3.7518 3.7529 3.8260 3.8423 4.1494 4.1533 4.2162 4.2180 5.4026 5.4159 5.4163 5.4287 6.3466 6.3486 6.3488 6.3718 6.7648 6.8081 6.8330 6.8552 7.0454 7.0527 7.0528 7.1407 7.7070 7.7744 7.8244 7.8412 7.9080 7.9319 8.0043 8.0546 11.0513 11.0550 11.3299 11.3320 11.3383 11.3405 11.5712 11.5731 12.9980 13.0022 k = 0.4612 0.4473 0.0622 ( 4020 PWs) bands (ev): -6.6435 -6.6435 -6.6240 -6.6238 -5.0027 -5.0025 -4.9615 -4.9609 0.2719 0.2743 0.3445 0.3455 2.8012 2.8106 2.8389 2.8423 3.3487 3.3537 3.5380 3.5527 3.7326 3.7341 3.8486 3.8681 4.1556 4.1604 4.2536 4.2555 5.3901 5.4064 5.4107 5.4259 6.3486 6.3510 6.3546 6.3832 6.7494 6.8014 6.8334 6.8529 7.0355 7.0424 7.0598 7.1608 7.6741 7.7431 7.8088 7.8318 7.9123 7.9424 8.0437 8.0913 10.9960 11.0004 11.3392 11.3417 11.3672 11.3699 11.6398 11.6421 13.0169 13.0226 k = 0.4535 0.4570 0.0746 ( 4028 PWs) bands (ev): -6.6436 -6.6436 -6.6152 -6.6150 -5.0181 -5.0179 -4.9595 -4.9587 0.2668 0.2696 0.3704 0.3716 2.7700 2.7804 2.8152 2.8192 3.3086 3.3142 3.5642 3.5798 3.7108 3.7128 3.8765 3.8986 4.1625 4.1679 4.2946 4.2964 5.3756 5.3946 5.4043 5.4223 6.3509 6.3537 6.3620 6.3963 6.7346 6.7936 6.8333 6.8478 7.0241 7.0301 7.0711 7.1809 7.6420 7.7120 7.7902 7.8183 7.9195 7.9543 8.0838 8.1282 10.9443 10.9493 11.3510 11.3540 11.4022 11.4053 11.7085 11.7111 13.0366 13.0441 k = 0.4457 0.4667 0.0870 ( 4034 PWs) bands (ev): -6.6439 -6.6439 -6.6049 -6.6047 -5.0357 -5.0354 -4.9570 -4.9561 0.2606 0.2638 0.4004 0.4018 2.7377 2.7487 2.7886 2.7930 3.2664 3.2724 3.5910 3.6067 3.6869 3.6892 3.9096 3.9336 4.1695 4.1756 4.3378 4.3396 5.3594 5.3809 5.3971 5.4177 6.3537 6.3569 6.3709 6.4106 6.7207 6.7849 6.8326 6.8408 7.0119 7.0164 7.0850 7.2007 7.6108 7.6813 7.7688 7.8013 7.9290 7.9671 8.1242 8.1653 10.8965 10.9021 11.3656 11.3691 11.4428 11.4464 11.7771 11.7799 13.0550 13.0644 k = 0.4380 0.4764 0.0995 ( 4042 PWs) bands (ev): -6.6445 -6.6444 -6.5931 -6.5928 -5.0552 -5.0549 -4.9542 -4.9532 0.2532 0.2569 0.4340 0.4356 2.7050 2.7166 2.7593 2.7640 3.2233 3.2296 3.6173 3.6321 3.6616 3.6641 3.9473 3.9728 4.1764 4.1832 4.3823 4.3839 5.3417 5.3653 5.3892 5.4121 6.3570 6.3605 6.3810 6.4261 6.7075 6.7752 6.8315 6.8329 6.9995 7.0017 7.1002 7.2195 7.5803 7.6510 7.7450 7.7815 7.9399 7.9804 8.1646 8.2023 10.8529 10.8591 11.3832 11.3871 11.4889 11.4928 11.8455 11.8482 13.0700 13.0811 k = 0.4302 0.4861 0.1119 ( 4044 PWs) bands (ev): -6.6455 -6.6454 -6.5797 -6.5793 -5.0763 -5.0760 -4.9511 -4.9500 0.2446 0.2486 0.4708 0.4727 2.6728 2.6846 2.7279 2.7327 3.1801 3.1867 3.6314 3.6335 3.6466 3.6595 3.9894 4.0157 4.1831 4.1903 4.4275 4.4289 5.3228 5.3483 5.3805 5.4056 6.3608 6.3646 6.3921 6.4426 6.6953 6.7647 6.8248 6.8298 6.9864 6.9871 7.1157 7.2373 7.5506 7.6210 7.7194 7.7596 7.9518 7.9938 8.2048 8.2392 10.8139 10.8206 11.4039 11.4083 11.5398 11.5441 11.9135 11.9160 13.0801 13.0928 k = 0.4225 0.4959 0.1243 ( 4046 PWs) bands (ev): -6.6469 -6.6469 -6.5647 -6.5643 -5.0988 -5.0984 -4.9476 -4.9464 0.2345 0.2389 0.5105 0.5126 2.6415 2.6534 2.6946 2.6993 3.1377 3.1445 3.6032 3.6074 3.6689 3.6818 4.0351 4.0619 4.1891 4.1968 4.4726 4.4738 5.3029 5.3300 5.3711 5.3982 6.3651 6.3692 6.4039 6.4598 6.6842 6.7536 6.8167 6.8276 6.9709 6.9749 7.1307 7.2534 7.5217 7.5914 7.6924 7.7361 7.9642 8.0070 8.2446 8.2756 10.7796 10.7868 11.4281 11.4328 11.5952 11.5997 11.9809 11.9830 13.0851 13.0988 k = 0.4147 0.5056 0.1368 ( 4052 PWs) bands (ev): -6.6491 -6.6490 -6.5483 -6.5478 -5.1223 -5.1219 -4.9439 -4.9425 0.2230 0.2278 0.5524 0.5549 2.6117 2.6233 2.6600 2.6644 3.0968 3.1038 3.5732 3.5779 3.6920 3.7032 4.0839 4.1109 4.1944 4.2026 4.5174 4.5183 5.2821 5.3106 5.3611 5.3899 6.3699 6.3742 6.4161 6.4775 6.6740 6.7420 6.8088 6.8247 6.9555 6.9629 7.1447 7.2675 7.4934 7.5620 7.6646 7.7116 7.9769 8.0198 8.2836 8.3113 10.7501 10.7577 11.4557 11.4608 11.6543 11.6591 12.0474 12.0489 13.0853 13.0998 k = 0.4070 0.5153 0.1492 ( 4044 PWs) bands (ev): -6.6520 -6.6519 -6.5303 -6.5298 -5.1464 -5.1459 -4.9398 -4.9383 0.2100 0.2150 0.5962 0.5989 2.5835 2.5942 2.6248 2.6281 3.0580 3.0652 3.5422 3.5475 3.7137 3.7230 4.1354 4.1623 4.1989 4.2074 4.5614 4.5621 5.2609 5.2904 5.3503 5.3808 6.3754 6.3797 6.4287 6.4956 6.6649 6.7305 6.8013 6.8214 6.9406 6.9515 7.1569 7.2794 7.4657 7.5326 7.6366 7.6866 7.9897 8.0321 8.3216 8.3460 10.7255 10.7335 11.4868 11.4923 11.7166 11.7214 12.1125 12.1132 13.0821 13.0972 k = 0.3992 0.5250 0.1617 ( 4044 PWs) bands (ev): -6.6558 -6.6558 -6.5109 -6.5104 -5.1708 -5.1702 -4.9354 -4.9338 0.1952 0.2005 0.6412 0.6443 2.5572 2.5652 2.5905 2.5911 3.0220 3.0292 3.5104 3.5162 3.7338 3.7412 4.1889 4.2024 4.2112 4.2157 4.6044 4.6048 5.2393 5.2695 5.3390 5.3708 6.3812 6.3855 6.4413 6.5139 6.6566 6.7189 6.7942 6.8174 6.9264 6.9406 7.1670 7.2885 7.4387 7.5033 7.6089 7.6614 8.0026 8.0439 8.3581 8.3795 10.7058 10.7142 11.5214 11.5273 11.7810 11.7859 12.1756 12.1758 13.0771 13.0926 k = 0.3915 0.5348 0.1741 ( 4034 PWs) bands (ev): -6.6607 -6.6607 -6.4900 -6.4894 -5.1950 -5.1945 -4.9307 -4.9291 0.1787 0.1843 0.6868 0.6902 2.5321 2.5337 2.5545 2.5603 2.9894 2.9966 3.4781 3.4844 3.7523 3.7577 4.2046 4.2139 4.2443 4.2707 4.6462 4.6463 5.2176 5.2483 5.3270 5.3600 6.3876 6.3918 6.4537 6.5322 6.6492 6.7077 6.7877 6.8127 6.9133 6.9302 7.1746 7.2949 7.4123 7.4739 7.5819 7.6365 8.0154 8.0552 8.3930 8.4114 10.6908 10.6996 11.5593 11.5656 11.8466 11.8514 12.2355 12.2367 13.0722 13.0880 k = 0.3837 0.5445 0.1865 ( 4042 PWs) bands (ev): -6.6670 -6.6669 -6.4676 -6.4670 -5.2188 -5.2182 -4.9258 -4.9241 0.1603 0.1661 0.7324 0.7361 2.4981 2.5039 2.5229 2.5362 2.9608 2.9679 3.4453 3.4521 3.7692 3.7727 4.2058 4.2154 4.3009 4.3270 4.6863 4.6866 5.1959 5.2268 5.3145 5.3485 6.3943 6.3982 6.4657 6.5502 6.6426 6.6968 6.7816 6.8074 6.9014 6.9201 7.1794 7.2981 7.3864 7.4444 7.5562 7.6122 8.0280 8.0659 8.4256 8.4412 10.6806 10.6897 11.6004 11.6069 11.9122 11.9168 12.2922 12.2943 13.0695 13.0855 k = 0.3760 0.5542 0.1990 ( 4034 PWs) bands (ev): -6.6746 -6.6746 -6.4439 -6.4433 -5.2418 -5.2411 -4.9207 -4.9189 0.1401 0.1460 0.7773 0.7814 2.4598 2.4679 2.5015 2.5170 2.9367 2.9437 3.4124 3.4196 3.7843 3.7860 4.2057 4.2155 4.3585 4.3843 4.7248 4.7253 5.1745 5.2054 5.3016 5.3363 6.4016 6.4050 6.4772 6.5680 6.6368 6.6867 6.7762 6.8016 6.8908 6.9105 7.1813 7.2983 7.3613 7.4148 7.5319 7.5889 8.0406 8.0763 8.4558 8.4688 10.6748 10.6842 11.6442 11.6510 11.9762 11.9807 12.3449 12.3478 13.0711 13.0872 k = 0.3682 0.5639 0.2114 ( 4036 PWs) bands (ev): -6.6838 -6.6838 -6.4188 -6.4181 -5.2636 -5.2629 -4.9153 -4.9134 0.1178 0.1239 0.8208 0.8254 2.4204 2.4289 2.4857 2.5016 2.9176 2.9245 3.3795 3.3871 3.7977 3.7977 4.2043 4.2144 4.4169 4.4422 4.7615 4.7624 5.1536 5.1842 5.2881 5.3234 6.4093 6.4120 6.4878 6.5852 6.6315 6.6772 6.7713 6.7953 6.8816 6.9012 7.1802 7.2953 7.3370 7.3853 7.5093 7.5669 8.0530 8.0861 8.4832 8.4937 10.6734 10.6829 11.6902 11.6972 12.0371 12.0415 12.3931 12.3965 13.0795 13.0957 k = 0.3605 0.5737 0.2238 ( 4038 PWs) bands (ev): -6.6947 -6.6947 -6.3923 -6.3916 -5.2839 -5.2832 -4.9098 -4.9078 0.0937 0.0998 0.8624 0.8674 2.3805 2.3890 2.4737 2.4896 2.9042 2.9108 3.3467 3.3546 3.8077 3.8093 4.2015 4.2118 4.4758 4.5006 4.7964 4.7977 5.1332 5.1633 5.2744 5.3100 6.4175 6.4191 6.4973 6.6017 6.6267 6.6687 6.7670 6.7888 6.8736 6.8921 7.1762 7.2889 7.3141 7.3562 7.4885 7.5463 8.0649 8.0954 8.5073 8.5155 10.6760 10.6857 11.7379 11.7450 12.0934 12.0976 12.4362 12.4398 13.0970 13.1130 k = 0.3527 0.5834 0.2363 ( 4034 PWs) bands (ev): -6.7076 -6.7075 -6.3645 -6.3637 -5.3025 -5.3017 -4.9041 -4.9021 0.0676 0.0738 0.9014 0.9069 2.3405 2.3489 2.4649 2.4808 2.8967 2.9031 3.3141 3.3223 3.8160 3.8191 4.1973 4.2078 4.5350 4.5591 4.8295 4.8311 5.1135 5.1428 5.2605 5.2961 6.4259 6.4263 6.5059 6.6174 6.6225 6.6613 6.7634 6.7823 6.8669 6.8833 7.1695 7.2782 7.2940 7.3277 7.4696 7.5274 8.0762 8.1042 8.5280 8.5341 10.6825 10.6922 11.7864 11.7935 12.1438 12.1477 12.4742 12.4776 13.1256 13.1412 k = 0.3450 0.5931 0.2487 ( 4038 PWs) bands (ev): -6.7223 -6.7223 -6.3354 -6.3346 -5.3190 -5.3182 -4.8982 -4.8961 0.0395 0.0457 0.9372 0.9432 2.3005 2.3089 2.4594 2.4751 2.8957 2.9018 3.2820 3.2904 3.8227 3.8270 4.1916 4.2024 4.5942 4.6175 4.8605 4.8625 5.0945 5.1229 5.2467 5.2818 6.4334 6.4346 6.5131 6.6185 6.6321 6.6549 6.7604 6.7759 6.8611 6.8746 7.1604 7.2618 7.2787 7.3001 7.4524 7.5102 8.0866 8.1122 8.5449 8.5492 10.6925 10.7022 11.8346 11.8416 12.1874 12.1912 12.5074 12.5102 13.1666 13.1817 k = 0.3372 0.6028 0.2611 ( 4042 PWs) bands (ev): -6.7391 -6.7391 -6.3050 -6.3042 -5.3333 -5.3325 -4.8923 -4.8901 0.0096 0.0158 0.9695 0.9759 2.2607 2.2691 2.4568 2.4725 2.9012 2.9070 3.2506 3.2592 3.8277 3.8331 4.1846 4.1954 4.6532 4.6754 4.8894 4.8919 5.0762 5.1037 5.2332 5.2674 6.4403 6.4433 6.5191 6.6150 6.6456 6.6499 6.7579 6.7698 6.8562 6.8660 7.1494 7.2429 7.2655 7.2736 7.4371 7.4947 8.0958 8.1193 8.5580 8.5604 10.7059 10.7154 11.8815 11.8881 12.2242 12.2280 12.5368 12.5386 13.2206 13.2350 k = 0.3295 0.6125 0.2736 ( 4042 PWs) bands (ev): -6.7580 -6.7579 -6.2735 -6.2726 -5.3452 -5.3443 -4.8862 -4.8840 -0.0221 -0.0160 0.9978 1.0048 2.2213 2.2297 2.4572 2.4727 2.9134 2.9187 3.2201 3.2288 3.8312 3.8375 4.1760 4.1871 4.7117 4.7324 4.9162 4.9193 5.0587 5.0851 5.2205 5.2531 6.4468 6.4519 6.5239 6.6116 6.6462 6.6578 6.7560 6.7642 6.8521 6.8576 7.1371 7.2244 7.2483 7.2522 7.4234 7.4810 8.1036 8.1252 8.5670 8.5679 10.7222 10.7315 11.9258 11.9318 12.2552 12.2589 12.5635 12.5643 13.2870 13.3005 k = 0.3295 0.6125 0.2736 ( 4042 PWs) bands (ev): -6.7580 -6.7579 -6.2735 -6.2726 -5.3452 -5.3443 -4.8862 -4.8840 -0.0221 -0.0160 0.9978 1.0048 2.2213 2.2297 2.4572 2.4727 2.9134 2.9187 3.2201 3.2288 3.8312 3.8375 4.1760 4.1871 4.7117 4.7324 4.9162 4.9193 5.0587 5.0851 5.2205 5.2531 6.4468 6.4519 6.5239 6.6116 6.6462 6.6578 6.7560 6.7642 6.8521 6.8576 7.1371 7.2244 7.2483 7.2522 7.4234 7.4810 8.1036 8.1252 8.5670 8.5679 10.7222 10.7315 11.9258 11.9318 12.2552 12.2589 12.5635 12.5643 13.2870 13.3005 k = 0.3138 0.6078 0.2796 ( 4042 PWs) bands (ev): -6.7699 -6.7698 -6.2557 -6.2548 -5.3493 -5.3484 -4.8833 -4.8811 -0.0405 -0.0344 1.0118 1.0190 2.2014 2.2098 2.4571 2.4726 2.9237 2.9288 3.2073 3.2159 3.8303 3.8371 4.1701 4.1813 4.7368 4.7565 4.9301 4.9342 5.0526 5.0786 5.2147 5.2461 6.4494 6.4561 6.5266 6.6100 6.6454 6.6633 6.7552 6.7618 6.8505 6.8538 7.1250 7.2126 7.2277 7.2639 7.4171 7.4751 8.1067 8.1276 8.5689 8.5696 10.7335 10.7426 11.9427 11.9482 12.2669 12.2703 12.5822 12.5824 13.3237 13.3368 k = 0.2981 0.6031 0.2857 ( 4040 PWs) bands (ev): -6.7853 -6.7852 -6.2350 -6.2341 -5.3509 -5.3500 -4.8808 -4.8786 -0.0635 -0.0576 1.0281 1.0355 2.1800 2.1888 2.4555 2.4709 2.9387 2.9438 3.1982 3.2065 3.8251 3.8325 4.1615 4.1728 4.7555 4.7735 4.9459 4.9520 5.0525 5.0784 5.2091 5.2389 6.4511 6.4603 6.5307 6.6081 6.6458 6.6684 6.7542 6.7599 6.8486 6.8513 7.1046 7.1842 7.2321 7.2779 7.4107 7.4695 8.1093 8.1296 8.5678 8.5690 10.7501 10.7590 11.9527 11.9574 12.2727 12.2756 12.6123 12.6130 13.3622 13.3753 k = 0.2824 0.5983 0.2918 ( 4045 PWs) bands (ev): -6.8029 -6.8028 -6.2127 -6.2118 -5.3500 -5.3490 -4.8787 -4.8764 -0.0905 -0.0848 1.0465 1.0540 2.1576 2.1669 2.4528 2.4681 2.9576 2.9625 3.1929 3.2007 3.8159 3.8241 4.1502 4.1618 4.7683 4.7842 4.9609 4.9690 5.0601 5.0860 5.2039 5.2316 6.4518 6.4645 6.5358 6.6058 6.6472 6.6733 6.7530 6.7585 6.8455 6.8508 7.0808 7.1553 7.2425 7.2923 7.4041 7.4644 8.1115 8.1312 8.5639 8.5656 10.7718 10.7804 11.9575 11.9612 12.2725 12.2749 12.6530 12.6542 13.4004 13.4139 k = 0.2667 0.5936 0.2978 ( 4046 PWs) bands (ev): -6.8219 -6.8218 -6.1901 -6.1892 -5.3462 -5.3452 -4.8770 -4.8747 -0.1211 -0.1156 1.0666 1.0743 2.1347 2.1445 2.4492 2.4645 2.9791 2.9836 3.1915 3.1986 3.8031 3.8122 4.1364 4.1486 4.7762 4.7899 4.9737 4.9824 5.0757 5.1015 5.1996 5.2248 6.4517 6.4688 6.5416 6.6029 6.6497 6.6778 6.7517 6.7577 6.8424 6.8515 7.0564 7.1283 7.2546 7.3069 7.3975 7.4598 8.1132 8.1325 8.5572 8.5593 10.7985 10.8066 11.9586 11.9614 12.2677 12.2698 12.7012 12.7029 13.4350 13.4496 k = 0.2510 0.5888 0.3039 ( 4044 PWs) bands (ev): -6.8415 -6.8414 -6.1681 -6.1672 -5.3396 -5.3386 -4.8759 -4.8736 -0.1543 -0.1492 1.0882 1.0960 2.1115 2.1220 2.4451 2.4603 3.0025 3.0063 3.1942 3.2003 3.7873 3.7973 4.1202 4.1332 4.7808 4.7925 4.9840 4.9924 5.0960 5.1229 5.1968 5.2193 6.4511 6.4732 6.5477 6.5995 6.6531 6.6819 6.7501 6.7571 6.8397 6.8530 7.0328 7.1035 7.2669 7.3216 7.3909 7.4558 8.1144 8.1335 8.5480 8.5502 10.8297 10.8373 11.9574 11.9594 12.2606 12.2626 12.7534 12.7556 13.4637 13.4794 k = 0.2353 0.5841 0.3100 ( 4046 PWs) bands (ev): -6.8611 -6.8610 -6.1473 -6.1464 -5.3301 -5.3290 -4.8754 -4.8731 -0.1897 -0.1848 1.1109 1.1187 2.0888 2.0999 2.4404 2.4555 3.0267 3.0296 3.2007 3.2058 3.7689 3.7798 4.1016 4.1157 4.7832 4.7933 4.9927 5.0006 5.1153 5.1458 5.1968 5.2180 6.4499 6.4775 6.5536 6.5958 6.6573 6.6856 6.7486 6.7566 6.8375 6.8552 7.0106 7.0810 7.2786 7.3361 7.3846 7.4526 8.1151 8.1340 8.5361 8.5385 10.8652 10.8722 11.9547 11.9563 12.2532 12.2551 12.8067 12.8096 13.4855 13.5022 k = 0.2196 0.5793 0.3161 ( 4040 PWs) bands (ev): -6.8804 -6.8803 -6.1283 -6.1274 -5.3177 -5.3166 -4.8757 -4.8734 -0.2264 -0.2219 1.1343 1.1420 2.0669 2.0786 2.4351 2.4501 3.0510 3.0526 3.2109 3.2154 3.7486 3.7603 4.0809 4.0961 4.7845 4.7936 5.0002 5.0083 5.1283 5.1625 5.2036 5.2255 6.4485 6.4818 6.5586 6.5922 6.6620 6.6891 6.7470 6.7560 6.8358 6.8582 6.9905 7.0609 7.2892 7.3497 7.3792 7.4504 8.1154 8.1341 8.5220 8.5243 10.9047 10.9110 11.9513 11.9530 12.2470 12.2488 12.8588 12.8623 13.5008 13.5179 k = 0.2039 0.5746 0.3221 ( 4034 PWs) bands (ev): -6.8991 -6.8989 -6.1112 -6.1103 -5.3026 -5.3015 -4.8768 -4.8745 -0.2638 -0.2597 1.1578 1.1655 2.0464 2.0586 2.4291 2.4441 3.0745 3.0752 3.2242 3.2292 3.7271 3.7394 4.0581 4.0745 4.7859 4.7942 5.0065 5.0159 5.1336 5.1653 5.2225 5.2426 6.4470 6.4858 6.5618 6.5898 6.6670 6.6922 6.7452 6.7548 6.8348 6.8617 6.9729 7.0434 7.2982 7.3592 7.3779 7.4495 8.1152 8.1338 8.5059 8.5082 10.9475 10.9531 11.9477 11.9498 12.2428 12.2447 12.9075 12.9120 13.5103 13.5274 k = 0.1883 0.5698 0.3282 ( 4036 PWs) bands (ev): -6.9168 -6.9167 -6.0962 -6.0954 -5.2850 -5.2838 -4.8788 -4.8765 -0.3012 -0.2974 1.1812 1.1888 2.0278 2.0403 2.4224 2.4373 3.0959 3.0976 3.2404 3.2470 3.7049 3.7176 4.0332 4.0508 4.7878 4.7959 5.0113 5.0233 5.1338 5.1605 5.2476 5.2648 6.4453 6.4892 6.5622 6.5898 6.6721 6.6950 6.7433 6.7528 6.8345 6.8654 6.9582 7.0283 7.3052 7.3592 7.3861 7.4501 8.1146 8.1329 8.4882 8.4904 10.9930 10.9979 11.9446 11.9472 12.2413 12.2435 12.9513 12.9567 13.5148 13.5316 k = 0.1726 0.5651 0.3343 ( 4039 PWs) bands (ev): -6.9336 -6.9334 -6.0833 -6.0826 -5.2652 -5.2640 -4.8818 -4.8796 -0.3381 -0.3347 1.2040 1.2114 2.0113 2.0242 2.4148 2.4295 3.1159 3.1189 3.2592 3.2678 3.6828 3.6957 4.0066 4.0252 4.7908 4.7990 5.0142 5.0299 5.1318 5.1538 5.2735 5.2887 6.4437 6.4918 6.5602 6.5921 6.6770 6.6975 6.7411 6.7499 6.8348 6.8692 6.9469 7.0157 7.3101 7.3548 7.3984 7.4523 8.1136 8.1316 8.4693 8.4715 11.0407 11.0449 11.9426 11.9457 12.2426 12.2451 12.9886 12.9952 13.5153 13.5317 k = 0.1569 0.5603 0.3403 ( 4041 PWs) bands (ev): -6.9491 -6.9490 -6.0725 -6.0718 -5.2436 -5.2423 -4.8859 -4.8837 -0.3738 -0.3707 1.2257 1.2329 1.9975 2.0105 2.4063 2.4209 3.1347 3.1388 3.2804 3.2910 3.6614 3.6742 3.9784 3.9978 4.7953 4.8039 5.0150 5.0349 5.1291 5.1474 5.2985 5.3121 6.4421 6.4930 6.5577 6.5956 6.6815 6.6997 6.7388 6.7459 6.8353 6.8723 6.9395 7.0056 7.3129 7.3497 7.4111 7.4560 8.1122 8.1299 8.4497 8.4518 11.0896 11.0932 11.9420 11.9455 12.2464 12.2493 13.0183 13.0260 13.5131 13.5289 k = 0.1412 0.5556 0.3464 ( 4037 PWs) bands (ev): -6.9634 -6.9633 -6.0635 -6.0628 -5.2205 -5.2192 -4.8912 -4.8890 -0.4078 -0.4050 1.2461 1.2529 1.9865 1.9996 2.3969 2.4112 3.1524 3.1573 3.3033 3.3157 3.6411 3.6536 3.9488 3.9689 4.8014 4.8107 5.0133 5.0374 5.1266 5.1425 5.3218 5.3342 6.4408 6.4925 6.5561 6.5994 6.6855 6.7017 6.7363 6.7409 6.8360 6.8743 6.9361 6.9979 7.3140 7.3448 7.4234 7.4609 8.1106 8.1277 8.4300 8.4320 11.1388 11.1419 11.9435 11.9473 12.2520 12.2555 13.0397 13.0485 13.5097 13.5245 k = 0.1255 0.5509 0.3525 ( 4038 PWs) bands (ev): -6.9764 -6.9763 -6.0561 -6.0555 -5.1965 -5.1951 -4.8978 -4.8956 -0.4395 -0.4371 1.2647 1.2711 1.9785 1.9914 2.3867 2.4006 3.1691 3.1744 3.3272 3.3411 3.6227 3.6347 3.9181 3.9387 4.8092 4.8194 5.0090 5.0366 5.1249 5.1396 5.3432 5.3543 6.4396 6.4901 6.5562 6.6028 6.6889 6.7034 6.7336 6.7355 6.8366 6.8748 6.9365 6.9924 7.3138 7.3400 7.4349 7.4665 8.1088 8.1252 8.4106 8.4125 11.1872 11.1900 11.9474 11.9515 12.2585 12.2627 13.0527 13.0625 13.5060 13.5198 k = 0.1098 0.5461 0.3585 ( 4037 PWs) bands (ev): -6.9879 -6.9878 -6.0502 -6.0497 -5.1718 -5.1704 -4.9057 -4.9035 -0.4687 -0.4666 1.2812 1.2872 1.9736 1.9860 2.3760 2.3892 3.1847 3.1901 3.3514 3.3664 3.6067 3.6179 3.8868 3.9075 4.8185 4.8298 5.0024 5.0321 5.1246 5.1385 5.3623 5.3723 6.4389 6.4859 6.5581 6.6056 6.6915 6.7050 6.7293 6.7314 6.8371 6.8739 6.9399 6.9889 7.3128 7.3354 7.4456 7.4723 8.1069 8.1224 8.3921 8.3938 11.2336 11.2363 11.9542 11.9585 12.2647 12.2695 13.0585 13.0689 13.5030 13.5155 k = 0.0941 0.5414 0.3646 ( 4039 PWs) bands (ev): -6.9980 -6.9979 -6.0456 -6.0451 -5.1470 -5.1455 -4.9149 -4.9128 -0.4947 -0.4930 1.2956 1.3009 1.9715 1.9831 2.3650 2.3773 3.1991 3.2043 3.3752 3.3908 3.5939 3.6042 3.8550 3.8758 4.8293 4.8418 4.9935 5.0239 5.1258 5.1387 5.3792 5.3880 6.4385 6.4807 6.5615 6.6076 6.6933 6.7064 6.7238 6.7289 6.8376 6.8718 6.9453 6.9870 7.3115 7.3310 7.4554 7.4779 8.1051 8.1194 8.3750 8.3765 11.2767 11.2795 11.9644 11.9686 12.2691 12.2745 13.0587 13.0693 13.5009 13.5119 k = 0.0784 0.5366 0.3707 ( 4036 PWs) bands (ev): -7.0066 -7.0066 -6.0420 -6.0416 -5.1224 -5.1209 -4.9256 -4.9235 -0.5174 -0.5159 1.3077 1.3123 1.9718 1.9823 2.3543 2.3654 3.2120 3.2168 3.3975 3.4132 3.5850 3.5945 3.8236 3.8438 4.8414 4.8553 4.9829 5.0129 5.1282 5.1394 5.3937 5.4012 6.4386 6.4748 6.5661 6.6084 6.6942 6.7075 6.7191 6.7266 6.8384 6.8688 6.9519 6.9861 7.3103 7.3268 7.4641 7.4828 8.1036 8.1163 8.3598 8.3609 11.3154 11.3182 11.9779 11.9820 12.2706 12.2764 13.0558 13.0660 13.4997 13.5090 k = 0.0628 0.5319 0.3767 ( 4037 PWs) bands (ev): -7.0137 -7.0136 -6.0393 -6.0390 -5.0985 -5.0969 -4.9376 -4.9356 -0.5363 -0.5352 1.3175 1.3213 1.9739 1.9830 2.3443 2.3539 3.2232 3.2274 3.4172 3.4319 3.5811 3.5901 3.7930 3.8123 4.8546 4.8700 4.9709 4.9997 5.1311 5.1404 5.4058 5.4119 6.4393 6.4689 6.5713 6.6079 6.6947 6.7076 6.7160 6.7246 6.8395 6.8651 6.9587 6.9858 7.3094 7.3229 7.4717 7.4867 8.1024 8.1132 8.3467 8.3476 11.3486 11.3512 11.9944 11.9982 12.2684 12.2742 13.0521 13.0613 13.4991 13.5067 k = 0.0471 0.5271 0.3828 ( 4039 PWs) bands (ev): -7.0192 -7.0192 -6.0373 -6.0371 -5.0756 -5.0740 -4.9509 -4.9489 -0.5513 -0.5505 1.3252 1.3281 1.9772 1.9845 2.3359 2.3436 3.2325 3.2358 3.4332 3.4455 3.5829 3.5917 3.7644 3.7821 4.8687 4.8856 4.9577 4.9849 5.1340 5.1411 5.4154 5.4201 6.4407 6.4631 6.5769 6.6062 6.6950 6.7060 6.7153 6.7229 6.8412 6.8612 6.9653 6.9854 7.3090 7.3194 7.4781 7.4895 8.1018 8.1103 8.3362 8.3369 11.3754 11.3776 12.0127 12.0159 12.2627 12.2680 13.0491 13.0567 13.4991 13.5049 k = 0.0314 0.5224 0.3889 ( 4035 PWs) bands (ev): -7.0232 -7.0231 -6.0359 -6.0358 -5.0544 -5.0529 -4.9648 -4.9631 -0.5621 -0.5615 1.3306 1.3326 1.9807 1.9859 2.3296 2.3350 3.2395 3.2419 3.4447 3.4535 3.5899 3.5982 3.7400 3.7546 4.8834 4.9019 4.9437 4.9692 5.1367 5.1414 5.4226 5.4257 6.4427 6.4578 6.5828 6.6032 6.6956 6.7033 6.7162 6.7215 6.8435 6.8571 6.9713 6.9846 7.3093 7.3163 7.4833 7.4910 8.1018 8.1076 8.3285 8.3290 11.3950 11.3966 12.0304 12.0329 12.2550 12.2593 13.0476 13.0531 13.4995 13.5034 k = 0.0157 0.5176 0.3950 ( 4033 PWs) bands (ev): -7.0255 -7.0255 -6.0352 -6.0351 -5.0366 -5.0354 -4.9779 -4.9766 -0.5686 -0.5683 1.3341 1.3351 1.9838 1.9865 2.3262 2.3290 3.2441 3.2454 3.4520 3.4565 3.5995 3.6052 3.7235 3.7325 4.8984 4.9183 4.9293 4.9527 5.1388 5.1412 5.4272 5.4288 6.4454 6.4530 6.5886 6.5990 6.6967 6.7007 6.7174 6.7201 6.8462 6.8532 6.9763 6.9829 7.3101 7.3136 7.4873 7.4911 8.1023 8.1054 8.3239 8.3241 11.4070 11.4079 12.0440 12.0455 12.2484 12.2508 13.0476 13.0504 13.5002 13.5022 k = 0.0000 0.5129 0.4010 ( 4030 PWs) bands (ev): -7.0263 -7.0263 -6.0349 -6.0349 -5.0278 -5.0278 -4.9841 -4.9841 -0.5707 -0.5707 1.3356 1.3356 1.9859 1.9859 2.3259 2.3259 3.2461 3.2461 3.4558 3.4558 3.6063 3.6063 3.7205 3.7205 4.9135 4.9135 4.9360 4.9360 5.1404 5.1404 5.4293 5.4293 6.4489 6.4489 6.5941 6.5941 6.6985 6.6985 6.7187 6.7187 6.8495 6.8495 6.9802 6.9802 7.3116 7.3116 7.4899 7.4899 8.1036 8.1036 8.3224 8.3224 11.4114 11.4114 12.0498 12.0498 12.2465 12.2465 13.0486 13.0486 13.5012 13.5012 k = 0.0000 0.5129 0.4010 ( 4030 PWs) bands (ev): -7.0263 -7.0263 -6.0349 -6.0349 -5.0278 -5.0278 -4.9841 -4.9841 -0.5707 -0.5707 1.3356 1.3356 1.9859 1.9859 2.3259 2.3259 3.2461 3.2461 3.4558 3.4558 3.6063 3.6063 3.7205 3.7205 4.9135 4.9135 4.9360 4.9360 5.1404 5.1404 5.4293 5.4293 6.4489 6.4489 6.5941 6.5941 6.6985 6.6985 6.7187 6.7187 6.8495 6.8495 6.9802 6.9802 7.3116 7.3116 7.4899 7.4899 8.1036 8.1036 8.3224 8.3224 11.4114 11.4114 12.0498 12.0498 12.2465 12.2465 13.0486 13.0486 13.5012 13.5012 k = 0.0078 0.5031 0.4136 ( 4034 PWs) bands (ev): -7.0256 -7.0256 -6.0348 -6.0348 -5.0288 -5.0286 -4.9844 -4.9843 -0.5701 -0.5699 1.3318 1.3323 1.9850 1.9863 2.3253 2.3258 3.2414 3.2425 3.4469 3.4535 3.6130 3.6186 3.7255 3.7268 4.9129 4.9137 4.9355 4.9365 5.1396 5.1407 5.4291 5.4292 6.4488 6.4495 6.5921 6.5962 6.6953 6.7024 6.7175 6.7204 6.8495 6.8510 6.9757 6.9858 7.3078 7.3160 7.4892 7.4916 8.1015 8.1059 8.3216 8.3227 11.4124 11.4126 12.0502 12.0505 12.2412 12.2413 13.0494 13.0501 13.4924 13.4947 k = 0.0156 0.4933 0.4261 ( 4042 PWs) bands (ev): -7.0234 -7.0233 -6.0346 -6.0345 -5.0316 -5.0313 -4.9852 -4.9851 -0.5683 -0.5678 1.3213 1.3222 1.9835 1.9860 2.3238 2.3249 3.2291 3.2313 3.4314 3.4422 3.6362 3.6450 3.7409 3.7434 4.9121 4.9135 4.9350 4.9368 5.1384 5.1407 5.4288 5.4289 6.4492 6.4507 6.5900 6.5985 6.6931 6.7071 6.7170 6.7226 6.8510 6.8538 6.9727 6.9924 7.3045 7.3211 7.4896 7.4945 8.0998 8.1086 8.3203 8.3225 11.4159 11.4163 12.0517 12.0524 12.2257 12.2259 13.0516 13.0529 13.4709 13.4751 k = 0.0234 0.4835 0.4386 ( 4040 PWs) bands (ev): -7.0197 -7.0197 -6.0343 -6.0341 -5.0362 -5.0358 -4.9865 -4.9864 -0.5650 -0.5643 1.3044 1.3056 1.9812 1.9848 2.3213 2.3229 3.2115 3.2149 3.4150 3.4282 3.6698 3.6800 3.7647 3.7685 4.9110 4.9130 4.9346 4.9370 5.1368 5.1404 5.4282 5.4284 6.4502 6.4525 6.5878 6.6013 6.6918 6.7122 6.7174 6.7256 6.8541 6.8580 6.9709 6.9999 7.3020 7.3268 7.4912 7.4985 8.0986 8.1115 8.3185 8.3217 11.4216 11.4222 12.0544 12.0555 12.2014 12.2017 13.0524 13.0545 13.4422 13.4479 k = 0.0312 0.4737 0.4512 ( 4042 PWs) bands (ev): -7.0146 -7.0145 -6.0339 -6.0337 -5.0425 -5.0420 -4.9884 -4.9882 -0.5605 -0.5595 1.2817 1.2833 1.9773 1.9820 2.3171 2.3192 3.1914 3.1959 3.4007 3.4154 3.7094 3.7202 3.7947 3.7997 4.9096 4.9119 4.9344 4.9372 5.1348 5.1398 5.4274 5.4276 6.4517 6.4548 6.5855 6.6044 6.6910 6.7169 6.7187 6.7297 6.8590 6.8634 6.9707 7.0082 7.3003 7.3332 7.4938 7.5037 8.0977 8.1147 8.3160 8.3204 11.4296 11.4303 12.0583 12.0597 12.1702 12.1705 13.0479 13.0507 13.4129 13.4196 k = 0.0391 0.4639 0.4637 ( 4040 PWs) bands (ev): -7.0080 -7.0079 -6.0334 -6.0331 -5.0505 -5.0498 -4.9908 -4.9906 -0.5546 -0.5534 1.2540 1.2559 1.9715 1.9771 2.3107 2.3133 3.1715 3.1771 3.3903 3.4059 3.7529 3.7639 3.8285 3.8348 4.9079 4.9104 4.9343 4.9372 5.1324 5.1390 5.4263 5.4266 6.4537 6.4577 6.5832 6.6081 6.6907 6.7206 6.7211 6.7356 6.8657 6.8701 6.9718 7.0170 7.2994 7.3405 7.4974 7.5100 8.0974 8.1181 8.3130 8.3183 11.4397 11.4407 12.0632 12.0650 12.1340 12.1344 13.0338 13.0372 13.3885 13.3957 k = 0.0469 0.4541 0.4762 ( 4036 PWs) bands (ev): -7.0000 -6.9998 -6.0329 -6.0326 -5.0600 -5.0592 -4.9938 -4.9935 -0.5473 -0.5459 1.2222 1.2242 1.9631 1.9695 2.3013 2.3044 3.1540 3.1607 3.3845 3.4008 3.7988 3.8097 3.8646 3.8722 4.9060 4.9084 4.9346 4.9374 5.1298 5.1381 5.4249 5.4254 6.4561 6.4610 6.5810 6.6122 6.6907 6.7234 6.7244 6.7433 6.8744 6.8779 6.9741 7.0260 7.2995 7.3485 7.5022 7.5175 8.0976 8.1217 8.3091 8.3154 11.4520 11.4531 12.0688 12.0712 12.0947 12.0955 13.0073 13.0110 13.3723 13.3796 k = 0.0547 0.4443 0.4888 ( 4042 PWs) bands (ev): -6.9905 -6.9903 -6.0325 -6.0322 -5.0708 -5.0700 -4.9972 -4.9969 -0.5386 -0.5371 1.1868 1.1890 1.9519 1.9589 2.2884 2.2919 3.1408 3.1485 3.3836 3.4004 3.8462 3.8569 3.9016 3.9104 4.9037 4.9059 4.9351 4.9376 5.1269 5.1370 5.4231 5.4238 6.4587 6.4648 6.5790 6.6166 6.6909 6.7257 6.7285 6.7523 6.8852 6.8868 6.9776 7.0351 7.3007 7.3574 7.5080 7.5262 8.0983 8.1255 8.3044 8.3116 11.4661 11.4674 12.0532 12.0536 12.0772 12.0787 12.9684 12.9722 13.3643 13.3712 k = 0.0625 0.4345 0.5013 ( 4044 PWs) bands (ev): -6.9796 -6.9794 -6.0323 -6.0320 -5.0830 -5.0820 -5.0012 -5.0009 -0.5286 -0.5268 1.1487 1.1510 1.9376 1.9450 2.2714 2.2753 3.1334 3.1419 3.3877 3.4048 3.8944 3.9048 3.9385 3.9485 4.9013 4.9032 4.9360 4.9380 5.1238 5.1359 5.4209 5.4218 6.4616 6.4689 6.5773 6.6213 6.6912 6.7277 6.7330 6.7625 6.8968 6.8983 6.9820 7.0440 7.3033 7.3673 7.5150 7.5359 8.0997 8.1295 8.2987 8.3067 11.4821 11.4835 12.0128 12.0128 12.0846 12.0869 12.9193 12.9230 13.3621 13.3682 k = 0.0703 0.4247 0.5138 ( 4044 PWs) bands (ev): -6.9673 -6.9671 -6.0324 -6.0320 -5.0961 -5.0951 -5.0058 -5.0054 -0.5171 -0.5152 1.1083 1.1107 1.9202 1.9280 2.2499 2.2541 3.1325 3.1418 3.3966 3.4140 3.9426 3.9528 3.9745 3.9857 4.8987 4.9003 4.9371 4.9387 5.1206 5.1348 5.4182 5.4195 6.4647 6.4734 6.5762 6.6259 6.6918 6.7299 6.7377 6.7734 6.9078 6.9137 6.9871 7.0525 7.3074 7.3785 7.5230 7.5467 8.1016 8.1336 8.2918 8.3006 11.4997 11.5013 11.9730 11.9731 12.0933 12.0958 12.8631 12.8666 13.3623 13.3677 k = 0.0781 0.4149 0.5263 ( 4046 PWs) bands (ev): -6.9537 -6.9534 -6.0330 -6.0325 -5.1101 -5.1090 -5.0108 -5.0104 -0.5042 -0.5022 1.0663 1.0687 1.8999 1.9080 2.2241 2.2284 3.1387 3.1485 3.4100 3.4275 3.9904 4.0002 4.0092 4.0214 4.8960 4.8973 4.9384 4.9397 5.1174 5.1338 5.4151 5.4167 6.4678 6.4781 6.5756 6.6304 6.6926 6.7324 6.7423 6.7850 6.9201 6.9316 6.9929 7.0605 7.3134 7.3909 7.5320 7.5584 8.1041 8.1377 8.2837 8.2932 11.5188 11.5205 11.9353 11.9354 12.1027 12.1055 12.8021 12.8055 13.3627 13.3672 k = 0.0859 0.4051 0.5389 ( 4042 PWs) bands (ev): -6.9386 -6.9383 -6.0340 -6.0336 -5.1247 -5.1236 -5.0164 -5.0160 -0.4899 -0.4877 1.0231 1.0255 1.8770 1.8852 2.1942 2.1985 3.1518 3.1621 3.4276 3.4451 4.0370 4.0414 4.0470 4.0552 4.8935 4.8945 4.9400 4.9411 5.1142 5.1328 5.4114 5.4135 6.4709 6.4830 6.5756 6.6346 6.6936 6.7353 6.7467 6.7968 6.9336 6.9519 6.9992 7.0678 7.3214 7.4048 7.5420 7.5709 8.1072 8.1419 8.2743 8.2844 11.5390 11.5408 11.9004 11.9005 12.1128 12.1157 12.7382 12.7415 13.3614 13.3651 k = 0.0938 0.3953 0.5514 ( 4038 PWs) bands (ev): -6.9223 -6.9219 -6.0358 -6.0353 -5.1397 -5.1386 -5.0226 -5.0221 -0.4742 -0.4718 0.9790 0.9813 1.8519 1.8601 2.1606 2.1649 3.1716 3.1823 3.4487 3.4662 4.0719 4.0814 4.0871 4.0915 4.8913 4.8920 4.9419 4.9428 5.1111 5.1319 5.4072 5.4098 6.4740 6.4880 6.5764 6.6383 6.6946 6.7388 6.7506 6.8083 6.9486 6.9748 7.0062 7.0744 7.3317 7.4201 7.5528 7.5842 8.1106 8.1459 8.2636 8.2740 11.5601 11.5621 11.8689 11.8689 12.1231 12.1261 12.6728 12.6760 13.3576 13.3605 k = 0.1016 0.3855 0.5639 ( 4040 PWs) bands (ev): -6.9046 -6.9042 -6.0384 -6.0379 -5.1549 -5.1536 -5.0292 -5.0287 -0.4570 -0.4545 0.9343 0.9366 1.8250 1.8332 2.1241 2.1282 3.1975 3.2085 3.4730 3.4904 4.0997 4.1143 4.1256 4.1339 4.8897 4.8901 4.9440 4.9450 5.1082 5.1311 5.4023 5.4055 6.4770 6.4930 6.5778 6.6416 6.6955 6.7427 6.7542 6.8190 6.9648 6.9999 7.0142 7.0802 7.3442 7.4370 7.5643 7.5980 8.1143 8.1495 8.2516 8.2622 11.5820 11.5840 11.8412 11.8413 12.1335 12.1366 12.6067 12.6100 13.3509 13.3529 k = 0.1094 0.3757 0.5765 ( 4040 PWs) bands (ev): -6.8857 -6.8852 -6.0421 -6.0416 -5.1698 -5.1686 -5.0364 -5.0359 -0.4384 -0.4358 0.8892 0.8915 1.7969 1.8049 2.0852 2.0892 3.2288 3.2400 3.5000 3.5172 4.1247 4.1402 4.1653 4.1734 4.8890 4.8891 4.9464 4.9476 5.1055 5.1304 5.3967 5.4007 6.4800 6.4980 6.5798 6.6445 6.6963 6.7471 6.7574 6.8284 6.9817 7.0243 7.0272 7.0854 7.3591 7.4553 7.5764 7.6121 8.1182 8.1525 8.2385 8.2490 11.6042 11.6062 11.8176 11.8178 12.1437 12.1468 12.5409 12.5441 13.3411 13.3422 k = 0.1172 0.3659 0.5890 ( 4034 PWs) bands (ev): -6.8655 -6.8650 -6.0470 -6.0466 -5.1844 -5.1831 -5.0441 -5.0435 -0.4183 -0.4157 0.8441 0.8463 1.7679 1.7758 2.0446 2.0485 3.2649 3.2762 3.5291 3.5461 4.1467 4.1629 4.2016 4.2095 4.8889 4.8896 4.9490 4.9507 5.1031 5.1299 5.3906 5.3953 6.4829 6.5029 6.5823 6.6471 6.6968 6.7517 6.7603 6.8362 6.9974 7.0385 7.0564 7.0904 7.3762 7.4750 7.5889 7.6263 8.1221 8.1543 8.2250 8.2345 11.6265 11.6285 11.7982 11.7986 12.1531 12.1562 12.4757 12.4790 13.3114 13.3175 k = 0.1250 0.3561 0.6015 ( 4040 PWs) bands (ev): -6.8441 -6.8436 -6.0534 -6.0529 -5.1982 -5.1970 -5.0523 -5.0517 -0.3968 -0.3942 0.7990 0.8010 1.7386 1.7464 2.0031 2.0068 3.3050 3.3164 3.5600 3.5768 4.1657 4.1823 4.2339 4.2414 4.8903 4.8917 4.9518 4.9541 5.1011 5.1295 5.3837 5.3893 6.4858 6.5076 6.5852 6.6495 6.6966 6.7564 6.7630 6.8422 7.0102 7.0585 7.0855 7.0968 7.3952 7.4958 7.6016 7.6405 8.1255 8.1539 8.2121 8.2190 11.6486 11.6505 11.7830 11.7837 12.1612 12.1642 12.4119 12.4150 13.2449 13.2497 k = 0.1328 0.3463 0.6141 ( 4036 PWs) bands (ev): -6.8216 -6.8211 -6.0613 -6.0608 -5.2111 -5.2099 -5.0609 -5.0603 -0.3739 -0.3712 0.7540 0.7559 1.7096 1.7171 1.9610 1.9646 3.3485 3.3600 3.5923 3.6089 4.1815 4.1984 4.2615 4.2687 4.8932 4.8956 4.9548 4.9579 5.0994 5.1292 5.3761 5.3827 6.4889 6.5121 6.5885 6.6518 6.6957 6.7610 6.7656 6.8464 7.0209 7.0838 7.0974 7.1220 7.4160 7.5175 7.6145 7.6543 8.1281 8.1496 8.2014 8.2031 11.6700 11.6718 11.7720 11.7729 12.1673 12.1701 12.3497 12.3527 13.1792 13.1815 k = 0.1406 0.3365 0.6266 ( 4036 PWs) bands (ev): -6.7979 -6.7974 -6.0709 -6.0705 -5.2228 -5.2217 -5.0700 -5.0694 -0.3496 -0.3469 0.7091 0.7109 1.6811 1.6883 1.9191 1.9225 3.3948 3.4063 3.6257 3.6420 4.1943 4.2113 4.2841 4.2909 4.8980 4.9015 4.9581 4.9621 5.0982 5.1292 5.3679 5.3755 6.4921 6.5164 6.5920 6.6542 6.6940 6.7652 6.7681 6.8489 7.0309 7.1027 7.1126 7.1550 7.4381 7.5397 7.6273 7.6676 8.1290 8.1401 8.1878 8.1946 11.6906 11.6922 11.7648 11.7660 12.1705 12.1729 12.2897 12.2925 13.1165 13.1167 k = 0.1484 0.3267 0.6391 ( 4036 PWs) bands (ev): -6.7732 -6.7727 -6.0823 -6.0820 -5.2331 -5.2320 -5.0796 -5.0790 -0.3240 -0.3212 0.6646 0.6662 1.6536 1.6606 1.8777 1.8809 3.4432 3.4547 3.6598 3.6758 4.2038 4.2209 4.3011 4.3077 4.9046 4.9093 4.9614 4.9666 5.0975 5.1293 5.3590 5.3676 6.4955 6.5205 6.5956 6.6567 6.6914 6.7689 6.7705 6.8499 7.0411 7.1082 7.1437 7.1888 7.4612 7.5621 7.6400 7.6799 8.1263 8.1269 8.1746 8.1912 11.7101 11.7113 11.7612 11.7627 12.1696 12.1715 12.2323 12.2347 13.0578 13.0591 k = 0.1562 0.3169 0.6517 ( 4044 PWs) bands (ev): -6.7475 -6.7470 -6.0957 -6.0954 -5.2419 -5.2408 -5.0895 -5.0889 -0.2970 -0.2942 0.6203 0.6217 1.6275 1.6342 1.8371 1.8403 3.4934 3.5048 3.6943 3.7100 4.2103 4.2273 4.3126 4.3188 4.9129 4.9190 4.9649 4.9713 5.0974 5.1298 5.3495 5.3591 6.4991 6.5242 6.5992 6.6594 6.6878 6.7719 6.7726 6.8495 7.0522 7.1146 7.1759 7.2224 7.4846 7.5840 7.6527 7.6911 8.1103 8.1200 8.1657 8.1894 11.7281 11.7289 11.7607 11.7625 12.1634 12.1636 12.1792 12.1799 13.0069 13.0093 k = 0.1641 0.3071 0.6642 ( 4040 PWs) bands (ev): -6.7209 -6.7203 -6.1111 -6.1109 -5.2489 -5.2479 -5.0998 -5.0992 -0.2686 -0.2659 0.5764 0.5776 1.6032 1.6096 1.7978 1.8009 3.5446 3.5560 3.7290 3.7445 4.2137 4.2306 4.3185 4.3243 4.9227 4.9302 4.9685 4.9764 5.0981 5.1307 5.3393 5.3500 6.5030 6.5277 6.6029 6.6623 6.6835 6.7743 6.7746 6.8480 7.0647 7.1223 7.2083 7.2549 7.5079 7.6051 7.6654 7.7010 8.0941 8.1088 8.1610 8.1879 11.7446 11.7447 11.7630 11.7649 12.1245 12.1274 12.1524 12.1545 12.9658 12.9688 k = 0.1719 0.2973 0.6767 ( 4040 PWs) bands (ev): -6.6933 -6.6928 -6.1285 -6.1284 -5.2541 -5.2532 -5.1104 -5.1098 -0.2391 -0.2364 0.5328 0.5338 1.5809 1.5870 1.7601 1.7631 3.5966 3.6080 3.7637 3.7789 4.2142 4.2308 4.3191 4.3243 4.9334 4.9423 4.9720 4.9818 5.0997 5.1322 5.3285 5.3402 6.5072 6.5310 6.6064 6.6654 6.6784 6.7760 6.7761 6.8455 7.0786 7.1315 7.2399 7.2853 7.5307 7.6247 7.6786 7.7093 8.0790 8.0958 8.1584 8.1860 11.7584 11.7592 11.7677 11.7695 12.0772 12.0792 12.1343 12.1356 12.9356 12.9390 k = 0.1797 0.2875 0.6893 ( 4044 PWs) bands (ev): -6.6650 -6.6645 -6.1479 -6.1478 -5.2575 -5.2567 -5.1212 -5.1207 -0.2082 -0.2057 0.4895 0.4903 1.5610 1.5667 1.7242 1.7272 3.6489 3.6602 3.7982 3.8132 4.2118 4.2281 4.3145 4.3192 4.9446 4.9544 4.9756 4.9876 5.1025 5.1345 5.3172 5.3299 6.5117 6.5339 6.6098 6.6687 6.6727 6.7771 6.7773 6.8422 7.0941 7.1423 7.2694 7.3125 7.5524 7.6424 7.6924 7.7160 8.0659 8.0830 8.1561 8.1832 11.7688 11.7713 11.7754 11.7762 12.0335 12.0348 12.1105 12.1111 12.9166 12.9201 k = 0.1875 0.2777 0.7018 ( 4044 PWs) bands (ev): -6.6359 -6.6354 -6.1692 -6.1691 -5.2590 -5.2584 -5.1323 -5.1317 -0.1763 -0.1737 0.4465 0.4471 1.5436 1.5491 1.6904 1.6934 3.7011 3.7122 3.8322 3.8470 4.2067 4.2226 4.3051 4.3093 4.9555 4.9656 4.9791 4.9942 5.1065 5.1378 5.3054 5.3190 6.5164 6.5366 6.6130 6.6665 6.6723 6.7776 6.7780 6.8383 7.1111 7.1547 7.2959 7.3352 7.5725 7.6584 7.7067 7.7213 8.0556 8.0719 8.1534 8.1794 11.7767 11.7800 11.7847 11.7854 11.9942 11.9947 12.0818 12.0820 12.9080 12.9116 k = 0.1953 0.2679 0.7143 ( 4044 PWs) bands (ev): -6.6063 -6.6057 -6.1922 -6.1922 -5.2588 -5.2583 -5.1434 -5.1430 -0.1431 -0.1407 0.4039 0.4042 1.5291 1.5342 1.6589 1.6619 3.7526 3.7637 3.8657 3.8802 4.1989 4.2144 4.2914 4.2949 4.9655 4.9751 4.9826 5.0016 5.1121 5.1424 5.2932 5.3076 6.5213 6.5390 6.6161 6.6601 6.6759 6.7778 6.7784 6.8340 7.1295 7.1689 7.3181 7.3524 7.5907 7.6731 7.7210 7.7257 8.0487 8.0632 8.1498 8.1744 11.7841 11.7872 11.7934 11.7948 11.9592 11.9597 12.0497 12.0498 12.9086 12.9122 k = 0.2031 0.2581 0.7269 ( 4046 PWs) bands (ev): -6.5760 -6.5755 -6.2170 -6.2168 -5.2570 -5.2565 -5.1547 -5.1542 -0.1090 -0.1066 0.3616 0.3617 1.5175 1.5222 1.6298 1.6329 3.8032 3.8142 3.8984 3.9126 4.1886 4.2037 4.2737 4.2764 4.9741 4.9824 4.9860 5.0095 5.1193 5.1486 5.2806 5.2956 6.5263 6.5411 6.6188 6.6535 6.6795 6.7776 6.7783 6.8295 7.1489 7.1846 7.3348 7.3633 7.6068 7.6874 7.7297 7.7346 8.0451 8.0572 8.1451 8.1684 11.7912 11.7939 11.8009 11.8029 11.9287 11.9303 12.0161 12.0164 12.9167 12.9203 k = 0.2109 0.2483 0.7394 ( 4048 PWs) bands (ev): -6.5453 -6.5448 -6.2431 -6.2430 -5.2536 -5.2532 -5.1659 -5.1655 -0.0738 -0.0716 0.3195 0.3197 1.5089 1.5134 1.6034 1.6066 3.8524 3.8635 3.9301 3.9441 4.1761 4.1907 4.2523 4.2543 4.9809 4.9880 4.9893 5.0169 5.1280 5.1564 5.2678 5.2832 6.5313 6.5428 6.6212 6.6471 6.6830 6.7773 6.7780 6.8251 7.1692 7.2017 7.3453 7.3676 7.6208 7.7014 7.7335 7.7467 8.0447 8.0539 8.1393 8.1613 11.7980 11.7999 11.8071 11.8096 11.9034 11.9064 11.9830 11.9834 12.9305 12.9341 k = 0.2188 0.2385 0.7519 ( 4050 PWs) bands (ev): -6.5143 -6.5138 -6.2706 -6.2704 -5.2488 -5.2485 -5.1771 -5.1767 -0.0376 -0.0356 0.2777 0.2781 1.5036 1.5077 1.5798 1.5832 3.8996 3.9110 3.9608 3.9744 4.1616 4.1755 4.2277 4.2288 4.9857 4.9922 4.9926 5.0233 5.1381 5.1660 5.2548 5.2703 6.5361 6.5443 6.6232 6.6411 6.6862 6.7770 6.7776 6.8209 7.1897 7.2197 7.3494 7.3658 7.6326 7.7150 7.7374 7.7568 8.0470 8.0533 8.1327 8.1534 11.8041 11.8051 11.8122 11.8149 11.8837 11.8882 11.9520 11.9522 12.9483 12.9519 k = 0.2266 0.2287 0.7645 ( 4048 PWs) bands (ev): -6.4831 -6.4826 -6.2991 -6.2988 -5.2427 -5.2425 -5.1880 -5.1877 -0.0006 0.0013 0.2364 0.2370 1.5016 1.5053 1.5591 1.5628 3.9439 3.9563 3.9904 4.0031 4.1455 4.1585 4.2003 4.2006 4.9890 4.9954 4.9956 5.0282 5.1491 5.1771 5.2419 5.2570 6.5404 6.5455 6.6249 6.6358 6.6890 6.7767 6.7771 6.8173 7.2097 7.2381 7.3479 7.3590 7.6423 7.7274 7.7411 7.7644 8.0511 8.0549 8.1257 8.1454 11.8094 11.8094 11.8165 11.8190 11.8698 11.8757 11.9242 11.9245 12.9685 12.9721 k = 0.2344 0.2189 0.7770 ( 4048 PWs) bands (ev): -6.4518 -6.4513 -6.3286 -6.3282 -5.2355 -5.2354 -5.1986 -5.1983 0.0372 0.0389 0.1954 0.1963 1.5028 1.5060 1.5416 1.5456 3.9833 3.9985 4.0188 4.0295 4.1291 4.1404 4.1705 4.1710 4.9911 4.9976 4.9977 5.0316 5.1602 5.1893 5.2297 5.2435 6.5439 6.5464 6.6260 6.6316 6.6912 6.7765 6.7767 6.8145 7.2276 7.2559 7.3424 7.3489 7.6496 7.7376 7.7442 7.7695 8.0560 8.0577 8.1191 8.1379 11.8129 11.8134 11.8201 11.8219 11.8620 11.8688 11.9003 11.9016 12.9898 12.9934 k = 0.2422 0.2091 0.7895 ( 4040 PWs) bands (ev): -6.4205 -6.4200 -6.3587 -6.3584 -5.2273 -5.2273 -5.2087 -5.2085 0.0757 0.0773 0.1551 0.1561 1.5073 1.5096 1.5272 1.5321 4.0134 4.0350 4.0448 4.0513 4.1158 4.1234 4.1404 4.1424 4.9923 4.9990 4.9990 5.0335 5.1698 5.2024 5.2195 5.2298 6.5463 6.5469 6.6267 6.6290 6.6926 6.7764 6.7764 6.8126 7.2412 7.2707 7.3362 7.3384 7.6542 7.7445 7.7463 7.7723 8.0602 8.0606 8.1140 8.1323 11.8155 11.8157 11.8227 11.8235 11.8612 11.8675 11.8815 11.8844 13.0110 13.0146 k = 0.2500 0.1993 0.8021 ( 4036 PWs) bands (ev): -6.3902 -6.3894 -6.3886 -6.3886 -5.2193 -5.2193 -5.2175 -5.2173 0.1119 0.1146 0.1183 0.1183 1.5130 1.5130 1.5182 1.5254 4.0257 4.0562 4.0581 4.0581 4.1159 4.1159 4.1190 4.1262 4.9927 4.9994 4.9994 5.0342 5.1742 5.2150 5.2150 5.2170 6.5471 6.5471 6.6267 6.6282 6.6931 6.7763 6.7763 6.8120 7.2465 7.2772 7.3333 7.3333 7.6557 7.7470 7.7470 7.7731 8.0618 8.0618 8.1120 8.1303 11.8165 11.8165 11.8236 11.8241 11.8659 11.8701 11.8701 11.8754 13.0295 13.0332 k = 0.2500 0.1993 0.8021 ( 4036 PWs) bands (ev): -6.3902 -6.3894 -6.3886 -6.3886 -5.2193 -5.2193 -5.2175 -5.2173 0.1119 0.1146 0.1183 0.1183 1.5130 1.5130 1.5182 1.5254 4.0257 4.0562 4.0581 4.0581 4.1159 4.1159 4.1190 4.1262 4.9927 4.9994 4.9994 5.0342 5.1742 5.2150 5.2150 5.2170 6.5471 6.5471 6.6267 6.6282 6.6931 6.7763 6.7763 6.8120 7.2465 7.2772 7.3333 7.3333 7.6557 7.7470 7.7470 7.7731 8.0618 8.0618 8.1120 8.1303 11.8165 11.8165 11.8236 11.8241 11.8659 11.8701 11.8701 11.8754 13.0295 13.0332 k = 0.2609 0.2080 0.7910 ( 4038 PWs) bands (ev): -6.4081 -6.4077 -6.3709 -6.3706 -5.2241 -5.2240 -5.2124 -5.2122 0.0894 0.0911 0.1391 0.1403 1.5123 1.5141 1.5242 1.5300 4.0047 4.0211 4.0416 4.0520 4.1172 4.1214 4.1527 4.1543 4.9925 4.9989 4.9994 5.0337 5.1728 5.2075 5.2175 5.2249 6.5457 6.5486 6.6269 6.6284 6.6932 6.7742 6.7786 6.8123 7.2432 7.2726 7.3327 7.3357 7.6566 7.7463 7.7485 7.7734 8.0605 8.0634 8.1130 8.1314 11.8006 11.8026 11.8075 11.8089 11.8781 11.8810 11.8918 11.8948 13.0180 13.0218 k = 0.2717 0.2167 0.7799 ( 4048 PWs) bands (ev): -6.4254 -6.4250 -6.3542 -6.3538 -5.2292 -5.2292 -5.2063 -5.2061 0.0630 0.0649 0.1612 0.1624 1.5164 1.5193 1.5360 1.5411 3.9562 3.9671 4.0193 4.0315 4.1289 4.1319 4.1975 4.2022 4.9919 4.9982 4.9990 5.0324 5.1690 5.1998 5.2239 5.2341 6.5443 6.5502 6.6273 6.6291 6.6936 6.7718 6.7812 6.8130 7.2330 7.2589 7.3353 7.3395 7.6585 7.7465 7.7511 7.7743 8.0600 8.0662 8.1154 8.1344 11.7728 11.7749 11.7806 11.7830 11.9017 11.9042 11.9273 11.9294 13.0035 13.0074 k = 0.2826 0.2253 0.7688 ( 4050 PWs) bands (ev): -6.4413 -6.4408 -6.3391 -6.3388 -5.2340 -5.2340 -5.2002 -5.1999 0.0364 0.0384 0.1814 0.1826 1.5263 1.5299 1.5520 1.5568 3.9004 3.9097 3.9923 4.0037 4.1446 4.1464 4.2404 4.2467 4.9912 4.9975 4.9983 5.0307 5.1638 5.1924 5.2328 5.2435 6.5430 6.5520 6.6282 6.6302 6.6942 6.7693 6.7841 6.8141 7.2168 7.2391 7.3389 7.3445 7.6606 7.7456 7.7551 7.7773 8.0611 8.0710 8.1186 8.1384 11.7421 11.7443 11.7535 11.7562 11.9277 11.9301 11.9656 11.9675 12.9879 12.9917 k = 0.2935 0.2340 0.7577 ( 4050 PWs) bands (ev): -6.4557 -6.4553 -6.3258 -6.3256 -5.2384 -5.2383 -5.1943 -5.1939 0.0104 0.0126 0.1997 0.2009 1.5414 1.5454 1.5720 1.5766 3.8420 3.8507 3.9614 3.9719 4.1610 4.1624 4.2786 4.2861 4.9904 4.9969 4.9976 5.0288 5.1580 5.1855 5.2427 5.2527 6.5417 6.5537 6.6293 6.6318 6.6952 6.7667 6.7873 6.8155 7.1961 7.2161 7.3416 7.3498 7.6622 7.7422 7.7610 7.7834 8.0644 8.0781 8.1222 8.1432 11.7104 11.7125 11.7276 11.7303 11.9541 11.9566 12.0049 12.0067 12.9716 12.9755 k = 0.3043 0.2427 0.7466 ( 4054 PWs) bands (ev): -6.4686 -6.4682 -6.3143 -6.3142 -5.2422 -5.2422 -5.1887 -5.1882 -0.0142 -0.0119 0.2161 0.2172 1.5610 1.5654 1.5958 1.6003 3.7823 3.7908 3.9276 3.9373 4.1771 4.1784 4.3116 4.3200 4.9895 4.9968 4.9969 5.0270 5.1520 5.1789 5.2527 5.2614 6.5406 6.5554 6.6306 6.6338 6.6964 6.7641 6.7904 6.8170 7.1728 7.1921 7.3420 7.3543 7.6630 7.7363 7.7686 7.7923 8.0698 8.0873 8.1262 8.1487 11.6784 11.6802 11.7032 11.7060 11.9805 11.9830 12.0445 12.0463 12.9550 12.9590 k = 0.3152 0.2513 0.7356 ( 4060 PWs) bands (ev): -6.4801 -6.4797 -6.3046 -6.3045 -5.2456 -5.2455 -5.1835 -5.1830 -0.0367 -0.0343 0.2305 0.2314 1.5844 1.5891 1.6232 1.6276 3.7222 3.7306 3.8916 3.9005 4.1924 4.1939 4.3393 4.3485 4.9884 4.9963 4.9973 5.0254 5.1458 5.1725 5.2622 5.2690 6.5395 6.5568 6.6321 6.6362 6.6979 6.7613 6.7934 6.8184 7.1483 7.1686 7.3397 7.3575 7.6629 7.7286 7.7776 7.8028 8.0766 8.0977 8.1313 8.1552 11.6463 11.6479 11.6803 11.6831 12.0064 12.0090 12.0841 12.0858 12.9387 12.9428 k = 0.3261 0.2600 0.7245 ( 4062 PWs) bands (ev): -6.4899 -6.4895 -6.2966 -6.2966 -5.2485 -5.2484 -5.1791 -5.1785 -0.0565 -0.0539 0.2429 0.2437 1.6111 1.6159 1.6538 1.6581 3.6622 3.6705 3.8537 3.8619 4.2067 4.2085 4.3617 4.3715 4.9873 4.9957 4.9985 5.0242 5.1397 5.1664 5.2707 5.2754 6.5385 6.5580 6.6336 6.6388 6.6996 6.7584 6.7960 6.8195 7.1238 7.1467 7.3345 7.3587 7.6624 7.7201 7.7874 7.8141 8.0841 8.1072 8.1393 8.1633 11.6146 11.6161 11.6590 11.6618 12.0318 12.0345 12.1232 12.1248 12.9230 12.9272 k = 0.3370 0.2686 0.7134 ( 4056 PWs) bands (ev): -6.4982 -6.4978 -6.2904 -6.2904 -5.2509 -5.2507 -5.1754 -5.1747 -0.0729 -0.0702 0.2535 0.2541 1.6402 1.6452 1.6872 1.6914 3.6027 3.6110 3.8145 3.8219 4.2196 4.2220 4.3791 4.3894 4.9863 4.9951 5.0005 5.0235 5.1337 5.1604 5.2776 5.2802 6.5376 6.5588 6.6350 6.6417 6.7016 6.7554 6.7980 6.8200 7.1004 7.1274 7.3263 7.3580 7.6616 7.7114 7.7977 7.8253 8.0911 8.1135 8.1521 8.1736 11.5839 11.5851 11.6394 11.6421 12.0566 12.0593 12.1612 12.1627 12.9082 12.9126 k = 0.3478 0.2773 0.7023 ( 4052 PWs) bands (ev): -6.5049 -6.5045 -6.2861 -6.2860 -5.2527 -5.2525 -5.1727 -5.1719 -0.0854 -0.0827 0.2623 0.2627 1.6712 1.6763 1.7229 1.7270 3.5444 3.5527 3.7743 3.7809 4.2311 4.2340 4.3918 4.4025 4.9852 4.9945 5.0031 5.0236 5.1278 5.1546 5.2827 5.2830 6.5367 6.5591 6.6363 6.6444 6.7038 6.7523 6.7992 6.8198 7.0787 7.1113 7.3156 7.3550 7.6609 7.7031 7.8078 7.8360 8.0970 8.1166 8.1690 8.1862 11.5546 11.5556 11.6213 11.6240 12.0807 12.0835 12.1978 12.1991 12.8944 12.8991 k = 0.3587 0.2860 0.6912 ( 4052 PWs) bands (ev): -6.5100 -6.5096 -6.2834 -6.2833 -5.2540 -5.2538 -5.1709 -5.1701 -0.0937 -0.0909 0.2693 0.2696 1.7036 1.7086 1.7604 1.7644 3.4880 3.4962 3.7335 3.7392 4.2410 4.2445 4.4001 4.4110 4.9843 4.9939 5.0064 5.0243 5.1220 5.1489 5.2837 5.2854 6.5358 6.5588 6.6374 6.6470 6.7062 6.7489 6.7993 6.8186 7.0594 7.0988 7.3026 7.3499 7.6606 7.6956 7.8173 7.8456 8.1014 8.1178 8.1881 8.2009 11.5273 11.5282 11.6048 11.6074 12.1041 12.1070 12.2323 12.2334 12.8817 12.8868 k = 0.3696 0.2946 0.6801 ( 4052 PWs) bands (ev): -6.5135 -6.5131 -6.2826 -6.2824 -5.2547 -5.2544 -5.1702 -5.1694 -0.0974 -0.0946 0.2748 0.2748 1.7366 1.7416 1.7989 1.8028 3.4339 3.4422 3.6924 3.6973 4.2492 4.2533 4.4044 4.4153 4.9837 4.9934 5.0102 5.0258 5.1163 5.1434 5.2818 5.2857 6.5348 6.5579 6.6381 6.6493 6.7085 6.7454 6.7982 6.8164 7.0430 7.0901 7.2877 7.3426 7.6609 7.6894 7.8258 7.8538 8.1047 8.1180 8.2079 8.2168 11.5027 11.5035 11.5898 11.5923 12.1268 12.1298 12.2644 12.2650 12.8699 12.8754 k = 0.3804 0.3033 0.6691 ( 4048 PWs) bands (ev): -6.5153 -6.5149 -6.2835 -6.2833 -5.2549 -5.2546 -5.1707 -5.1698 -0.0963 -0.0935 0.2786 0.2788 1.7699 1.7748 1.8378 1.8414 3.3831 3.3914 3.6514 3.6553 4.2557 4.2604 4.4049 4.4158 4.9835 4.9931 5.0144 5.0279 5.1108 5.1381 5.2774 5.2833 6.5339 6.5563 6.6386 6.6511 6.7107 6.7418 6.7961 6.8134 7.0298 7.0850 7.2713 7.3335 7.6619 7.6847 7.8331 7.8601 8.1073 8.1179 8.2271 8.2327 11.4815 11.4821 11.5763 11.5787 12.1490 12.1521 12.2933 12.2935 12.8587 12.8648 k = 0.3913 0.3120 0.6580 ( 4047 PWs) bands (ev): -6.5154 -6.5150 -6.2863 -6.2861 -5.2545 -5.2541 -5.1721 -5.1712 -0.0902 -0.0873 0.2809 0.2813 1.8029 1.8076 1.8760 1.8795 3.3363 3.3445 3.6107 3.6137 4.2604 4.2656 4.4020 4.4127 4.9838 4.9932 5.0189 5.0304 5.1055 5.1329 5.2702 5.2780 6.5328 6.5539 6.6388 6.6523 6.7126 6.7381 6.7929 6.8095 7.0200 7.0833 7.2537 7.3225 7.6640 7.6819 7.8386 7.8643 8.1099 8.1179 8.2448 8.2477 11.4641 11.4646 11.5641 11.5665 12.1706 12.1739 12.3183 12.3186 12.8478 12.8544 k = 0.4022 0.3206 0.6469 ( 4053 PWs) bands (ev): -6.5138 -6.5135 -6.2909 -6.2907 -5.2535 -5.2531 -5.1746 -5.1737 -0.0790 -0.0761 0.2819 0.2825 1.8351 1.8395 1.9128 1.9161 3.2945 3.3026 3.5708 3.5728 4.2634 4.2690 4.3961 4.4065 4.9846 4.9939 5.0237 5.0333 5.1003 5.1280 5.2602 5.2698 6.5317 6.5508 6.6388 6.6529 6.7139 6.7344 6.7891 6.8051 7.0135 7.0845 7.2352 7.3099 7.6673 7.6810 7.8421 7.8659 8.1129 8.1185 8.2600 8.2607 11.4512 11.4515 11.5534 11.5556 12.1918 12.1953 12.3389 12.3398 12.8366 12.8438 k = 0.4130 0.3293 0.6358 ( 4055 PWs) bands (ev): -6.5106 -6.5102 -6.2974 -6.2971 -5.2519 -5.2515 -5.1781 -5.1771 -0.0627 -0.0599 0.2815 0.2823 1.8661 1.8702 1.9470 1.9501 3.2585 3.2666 3.5319 3.5329 4.2646 4.2705 4.3873 4.3973 4.9862 4.9953 5.0286 5.0365 5.0954 5.1233 5.2473 5.2586 6.5304 6.5470 6.6387 6.6528 6.7145 6.7308 6.7850 6.8003 7.0101 7.0880 7.2161 7.2957 7.6719 7.6823 7.8432 7.8647 8.1170 8.1201 8.2710 8.2721 11.4429 11.4431 11.5439 11.5460 12.2124 12.2162 12.3549 12.3566 12.8250 12.8326 k = 0.4239 0.3380 0.6247 ( 4057 PWs) bands (ev): -6.5056 -6.5053 -6.3059 -6.3056 -5.2497 -5.2492 -5.1823 -5.1813 -0.0413 -0.0385 0.2799 0.2809 1.8955 1.8993 1.9777 1.9806 3.2296 3.2375 3.4942 3.4942 4.2642 4.2703 4.3758 4.3854 4.9885 4.9976 5.0336 5.0397 5.0907 5.1189 5.2316 5.2446 6.5290 6.5426 6.6385 6.6520 6.7144 6.7273 6.7810 6.7954 7.0095 7.0932 7.1965 7.2802 7.6778 7.6856 7.8417 7.8607 8.1225 8.1233 8.2778 8.2804 11.4395 11.4396 11.5357 11.5376 12.2325 12.2366 12.3661 12.3686 12.8129 12.8208 k = 0.4348 0.3466 0.6136 ( 4053 PWs) bands (ev): -6.4990 -6.4986 -6.3164 -6.3160 -5.2470 -5.2464 -5.1871 -5.1861 -0.0150 -0.0123 0.2770 0.2782 1.9230 1.9263 2.0039 2.0064 3.2085 3.2163 3.4570 3.4580 4.2622 4.2685 4.3619 4.3710 4.9917 5.0009 5.0388 5.0430 5.0864 5.1148 5.2130 5.2277 6.5274 6.5378 6.6384 6.6505 6.7136 6.7239 6.7776 6.7904 7.0113 7.0995 7.1767 7.2635 7.6853 7.6909 7.8374 7.8537 8.1283 8.1296 8.2808 8.2846 11.4409 11.4410 11.5287 11.5305 12.2519 12.2564 12.3723 12.3756 12.8006 12.8087 k = 0.4457 0.3553 0.6026 ( 4049 PWs) bands (ev): -6.4906 -6.4903 -6.3289 -6.3285 -5.2436 -5.2431 -5.1924 -5.1914 0.0160 0.0186 0.2728 0.2742 1.9483 1.9511 2.0246 2.0267 3.1961 3.2037 3.4214 3.4235 4.2590 4.2653 4.3457 4.3541 4.9956 5.0051 5.0439 5.0461 5.0824 5.1111 5.1918 5.2083 6.5256 6.5329 6.6382 6.6485 6.7122 6.7206 6.7746 6.7856 7.0150 7.1059 7.1574 7.2458 7.6942 7.6981 7.8301 7.8437 8.1354 8.1385 8.2797 8.2845 11.4467 11.4468 11.5229 11.5245 12.2704 12.2754 12.3735 12.3777 12.7890 12.7970 k = 0.4565 0.3640 0.5915 ( 4045 PWs) bands (ev): -6.4806 -6.4802 -6.3435 -6.3431 -5.2397 -5.2391 -5.1979 -5.1970 0.0515 0.0541 0.2673 0.2689 1.9712 1.9735 2.0393 2.0411 3.1929 3.2003 3.3876 3.3906 4.2546 4.2607 4.3273 4.3349 5.0004 5.0101 5.0490 5.0491 5.0790 5.1078 5.1682 5.1866 6.5236 6.5279 6.6380 6.6460 6.7103 6.7171 6.7724 6.7812 7.0203 7.1104 7.1403 7.2274 7.7043 7.7068 7.8200 7.8311 8.1446 8.1490 8.2747 8.2800 11.4563 11.4565 11.5181 11.5196 12.2876 12.2931 12.3699 12.3751 12.7790 12.7867 k = 0.4674 0.3726 0.5804 ( 4045 PWs) bands (ev): -6.4688 -6.4685 -6.3602 -6.3598 -5.2352 -5.2346 -5.2034 -5.2026 0.0911 0.0936 0.2604 0.2622 1.9918 1.9935 2.0479 2.0492 3.1991 3.2062 3.3555 3.3595 4.2494 4.2551 4.3068 4.3136 5.0057 5.0156 5.0513 5.0541 5.0762 5.1048 5.1426 5.1633 6.5212 6.5232 6.6378 6.6433 6.7082 6.7134 6.7707 6.7772 7.0268 7.1049 7.1332 7.2083 7.7154 7.7167 7.8075 7.8162 8.1558 8.1610 8.2659 8.2715 11.4687 11.4689 11.5145 11.5159 12.3029 12.3089 12.3621 12.3683 12.7717 12.7790 k = 0.4783 0.3813 0.5693 ( 4051 PWs) bands (ev): -6.4554 -6.4550 -6.3791 -6.3787 -5.2301 -5.2295 -5.2088 -5.2080 0.1345 0.1369 0.2521 0.2541 2.0099 2.0111 2.0506 2.0514 3.2142 3.2210 3.3252 3.3301 4.2434 4.2486 4.2843 4.2902 5.0114 5.0208 5.0524 5.0588 5.0743 5.1001 5.1178 5.1399 6.5184 6.5188 6.6374 6.6405 6.7059 6.7095 6.7698 6.7739 7.0341 7.0884 7.1369 7.1886 7.7270 7.7272 7.7929 7.7994 8.1686 8.1738 8.2543 8.2597 11.4825 11.4829 11.5120 11.5132 12.3155 12.3221 12.3515 12.3584 12.7678 12.7745 k = 0.4891 0.3900 0.5582 ( 4047 PWs) bands (ev): -6.4402 -6.4399 -6.4001 -6.3998 -5.2245 -5.2238 -5.2139 -5.2131 0.1812 0.1835 0.2423 0.2444 2.0258 2.0263 2.0480 2.0484 3.2376 3.2441 3.2966 3.3023 4.2367 4.2409 4.2606 4.2652 5.0166 5.0234 5.0512 5.0610 5.0735 5.0828 5.1075 5.1195 6.5150 6.5153 6.6367 6.6380 6.7036 6.7055 6.7695 6.7715 7.0419 7.0693 7.1429 7.1688 7.7370 7.7376 7.7780 7.7820 8.1814 8.1854 8.2423 8.2464 11.4961 11.4966 11.5109 11.5118 12.3242 12.3310 12.3399 12.3470 12.7679 12.7740 k = 0.5000 0.3986 0.5471 ( 4046 PWs) bands (ev): -6.4236 -6.4236 -6.4228 -6.4228 -5.2186 -5.2186 -5.2174 -5.2174 0.2302 0.2302 0.2336 0.2336 2.0373 2.0373 2.0434 2.0434 3.2660 3.2660 3.2780 3.2780 4.2274 4.2274 4.2405 4.2405 5.0177 5.0177 5.0478 5.0478 5.0748 5.0748 5.1070 5.1070 6.5118 6.5118 6.6357 6.6357 6.7013 6.7013 6.7698 6.7698 7.0498 7.0498 7.1488 7.1488 7.7407 7.7407 7.7693 7.7693 8.1894 8.1894 8.2368 8.2368 11.5059 11.5059 11.5137 11.5137 12.3272 12.3272 12.3362 12.3362 12.7717 12.7717 k = 0.5000 0.3986 0.5471 ( 4046 PWs) bands (ev): -6.4236 -6.4236 -6.4228 -6.4228 -5.2186 -5.2186 -5.2174 -5.2174 0.2302 0.2302 0.2336 0.2336 2.0373 2.0373 2.0434 2.0434 3.2660 3.2660 3.2780 3.2780 4.2274 4.2274 4.2405 4.2405 5.0177 5.0177 5.0478 5.0478 5.0748 5.0748 5.1070 5.1070 6.5118 6.5118 6.6357 6.6357 6.7013 6.7013 6.7698 6.7698 7.0498 7.0498 7.1488 7.1488 7.7407 7.7407 7.7693 7.7693 8.1894 8.1894 8.2368 8.2368 11.5059 11.5059 11.5137 11.5137 12.3272 12.3272 12.3362 12.3362 12.7717 12.7717 k = 0.5000 0.3986 0.5295 ( 4040 PWs) bands (ev): -6.4291 -6.4291 -6.4284 -6.4284 -5.2164 -5.2164 -5.2152 -5.2152 0.2605 0.2605 0.2642 0.2642 2.0405 2.0405 2.0476 2.0476 3.2716 3.2716 3.2845 3.2845 4.1996 4.1996 4.2127 4.2127 4.9999 4.9999 5.0274 5.0274 5.0811 5.0811 5.1056 5.1056 6.5067 6.5067 6.6330 6.6330 6.6963 6.6963 6.7695 6.7695 7.0406 7.0406 7.1368 7.1368 7.7333 7.7333 7.7641 7.7641 8.1884 8.1884 8.2348 8.2348 11.5116 11.5116 11.5207 11.5207 12.3205 12.3205 12.3299 12.3299 12.7566 12.7566 k = 0.5000 0.3986 0.5118 ( 4042 PWs) bands (ev): -6.4352 -6.4352 -6.4345 -6.4345 -5.2134 -5.2134 -5.2121 -5.2121 0.2902 0.2902 0.2942 0.2942 2.0449 2.0449 2.0533 2.0533 3.2773 3.2773 3.2912 3.2912 4.1721 4.1721 4.1852 4.1852 4.9774 4.9774 5.0037 5.0037 5.0893 5.0893 5.1097 5.1097 6.5019 6.5019 6.6302 6.6302 6.6910 6.6910 6.7695 6.7695 7.0315 7.0315 7.1238 7.1238 7.7260 7.7260 7.7590 7.7590 8.1877 8.1877 8.2327 8.2327 11.5115 11.5115 11.5222 11.5222 12.3184 12.3184 12.3278 12.3278 12.7385 12.7385 k = 0.5000 0.3986 0.4942 ( 4042 PWs) bands (ev): -6.4419 -6.4419 -6.4412 -6.4412 -5.2095 -5.2095 -5.2082 -5.2082 0.3188 0.3188 0.3230 0.3230 2.0511 2.0511 2.0606 2.0606 3.2831 3.2831 3.2979 3.2979 4.1449 4.1449 4.1582 4.1582 4.9525 4.9525 4.9779 4.9779 5.0982 5.0982 5.1169 5.1169 6.4975 6.4975 6.6270 6.6270 6.6856 6.6856 6.7699 6.7699 7.0232 7.0232 7.1103 7.1103 7.7187 7.7187 7.7540 7.7540 8.1870 8.1870 8.2306 8.2306 11.5049 11.5049 11.5172 11.5172 12.3222 12.3222 12.3314 12.3314 12.7171 12.7171 k = 0.5000 0.3986 0.4765 ( 4034 PWs) bands (ev): -6.4492 -6.4492 -6.4485 -6.4485 -5.2047 -5.2047 -5.2034 -5.2034 0.3457 0.3457 0.3502 0.3502 2.0592 2.0592 2.0700 2.0700 3.2889 3.2889 3.3046 3.3046 4.1184 4.1184 4.1318 4.1318 4.9261 4.9261 4.9509 4.9509 5.1075 5.1075 5.1260 5.1260 6.4933 6.4933 6.6237 6.6237 6.6799 6.6799 6.7705 6.7705 7.0160 7.0160 7.0968 7.0968 7.7114 7.7114 7.7490 7.7490 8.1865 8.1865 8.2284 8.2284 11.4916 11.4916 11.5052 11.5052 12.3326 12.3326 12.3416 12.3416 12.6921 12.6921 k = 0.5000 0.3986 0.4589 ( 4030 PWs) bands (ev): -6.4569 -6.4569 -6.4562 -6.4562 -5.1990 -5.1990 -5.1976 -5.1976 0.3705 0.3705 0.3754 0.3754 2.0696 2.0696 2.0816 2.0816 3.2947 3.2947 3.3113 3.3113 4.0927 4.0927 4.1063 4.1063 4.8988 4.8988 4.9228 4.9228 5.1173 5.1173 5.1363 5.1363 6.4892 6.4892 6.6199 6.6199 6.6740 6.6740 6.7714 6.7714 7.0101 7.0101 7.0837 7.0837 7.7040 7.7040 7.7439 7.7439 8.1859 8.1859 8.2260 8.2260 11.4717 11.4717 11.4865 11.4865 12.3495 12.3495 12.3579 12.3579 12.6639 12.6639 k = 0.5000 0.3986 0.4412 ( 4020 PWs) bands (ev): -6.4652 -6.4652 -6.4645 -6.4645 -5.1923 -5.1923 -5.1909 -5.1909 0.3929 0.3929 0.3980 0.3980 2.0826 2.0826 2.0959 2.0959 3.3006 3.3006 3.3179 3.3179 4.0679 4.0679 4.0818 4.0818 4.8706 4.8706 4.8938 4.8938 5.1277 5.1277 5.1475 5.1475 6.4851 6.4851 6.6154 6.6154 6.6680 6.6680 6.7726 6.7726 7.0059 7.0059 7.0717 7.0717 7.6964 7.6964 7.7386 7.7386 8.1852 8.1852 8.2236 8.2236 11.4461 11.4461 11.4618 11.4618 12.3714 12.3714 12.3792 12.3792 12.6334 12.6334 k = 0.5000 0.3986 0.4236 ( 4018 PWs) bands (ev): -6.4738 -6.4738 -6.4732 -6.4732 -5.1847 -5.1847 -5.1834 -5.1834 0.4123 0.4123 0.4176 0.4176 2.0985 2.0985 2.1130 2.1130 3.3064 3.3064 3.3246 3.3246 4.0441 4.0441 4.0584 4.0584 4.8417 4.8417 4.8640 4.8640 5.1385 5.1385 5.1595 5.1595 6.4809 6.4809 6.6098 6.6098 6.6622 6.6622 6.7740 6.7740 7.0031 7.0031 7.0612 7.0612 7.6888 7.6888 7.7332 7.7332 8.1844 8.1844 8.2209 8.2209 11.4158 11.4158 11.4323 11.4323 12.3953 12.3953 12.4022 12.4022 12.6031 12.6031 k = 0.5000 0.3986 0.4059 ( 4012 PWs) bands (ev): -6.4829 -6.4829 -6.4823 -6.4823 -5.1762 -5.1762 -5.1749 -5.1749 0.4285 0.4285 0.4341 0.4341 2.1174 2.1174 2.1332 2.1332 3.3123 3.3123 3.3312 3.3312 4.0214 4.0214 4.0360 4.0360 4.8121 4.8121 4.8334 4.8334 5.1500 5.1500 5.1721 5.1721 6.4765 6.4765 6.6028 6.6028 6.6572 6.6572 6.7756 6.7756 7.0014 7.0014 7.0530 7.0530 7.6811 7.6811 7.7277 7.7277 8.1832 8.1832 8.2181 8.2181 11.3820 11.3820 11.3990 11.3990 12.4147 12.4147 12.4205 12.4205 12.5787 12.5787 k = 0.5000 0.3986 0.3883 ( 4020 PWs) bands (ev): -6.4923 -6.4923 -6.4917 -6.4917 -5.1670 -5.1670 -5.1656 -5.1656 0.4413 0.4413 0.4471 0.4471 2.1397 2.1397 2.1566 2.1566 3.3183 3.3183 3.3379 3.3379 3.9998 3.9998 4.0148 4.0148 4.7818 4.7818 4.8020 4.8020 5.1620 5.1620 5.1853 5.1853 6.4716 6.4716 6.5940 6.5940 6.6533 6.6533 6.7776 6.7776 7.0004 7.0004 7.0478 7.0478 7.6734 7.6734 7.7220 7.7220 8.1816 8.1816 8.2149 8.2149 11.3461 11.3461 11.3633 11.3633 12.4171 12.4171 12.4221 12.4221 12.5723 12.5723 k = 0.5000 0.3986 0.3706 ( 4016 PWs) bands (ev): -6.5020 -6.5020 -6.5014 -6.5014 -5.1570 -5.1570 -5.1556 -5.1556 0.4506 0.4506 0.4565 0.4565 2.1653 2.1653 2.1833 2.1833 3.3243 3.3243 3.3445 3.3445 3.9794 3.9794 3.9946 3.9946 4.7508 4.7508 4.7700 4.7700 5.1746 5.1746 5.1990 5.1990 6.4664 6.4664 6.5833 6.5833 6.6509 6.6509 6.7799 6.7799 6.9995 6.9995 7.0463 7.0463 7.6658 7.6658 7.7164 7.7164 8.1794 8.1794 8.2114 8.2114 11.3090 11.3090 11.3264 11.3264 12.3958 12.3958 12.4001 12.4001 12.5904 12.5904 k = 0.5000 0.3986 0.3530 ( 4012 PWs) bands (ev): -6.5119 -6.5119 -6.5113 -6.5113 -5.1463 -5.1463 -5.1450 -5.1450 0.4563 0.4563 0.4623 0.4623 2.1943 2.1943 2.2134 2.2134 3.3305 3.3305 3.3512 3.3512 3.9600 3.9600 3.9756 3.9756 4.7192 4.7192 4.7372 4.7372 5.1877 5.1877 5.2132 5.2132 6.4606 6.4606 6.5711 6.5711 6.6500 6.6500 6.7825 6.7825 6.9984 6.9984 7.0485 7.0485 7.6585 7.6585 7.7110 7.7110 8.1766 8.1766 8.2074 8.2074 11.2718 11.2718 11.2891 11.2891 12.3585 12.3585 12.3623 12.3623 12.6245 12.6245 k = 0.5000 0.3986 0.3353 ( 4018 PWs) bands (ev): -6.5218 -6.5218 -6.5213 -6.5213 -5.1350 -5.1350 -5.1337 -5.1337 0.4585 0.4585 0.4645 0.4645 2.2266 2.2266 2.2466 2.2466 3.3367 3.3367 3.3580 3.3580 3.9418 3.9418 3.9576 3.9576 4.6869 4.6869 4.7038 4.7038 5.2014 5.2014 5.2279 5.2279 6.4543 6.4543 6.5575 6.5575 6.6504 6.6504 6.7856 6.7856 6.9973 6.9973 7.0539 7.0539 7.6516 7.6516 7.7059 7.7059 8.1729 8.1729 8.2030 8.2030 11.2354 11.2354 11.2525 11.2525 12.3132 12.3132 12.3168 12.3168 12.6655 12.6655 k = 0.5000 0.3986 0.3177 ( 4026 PWs) bands (ev): -6.5319 -6.5319 -6.5313 -6.5313 -5.1233 -5.1233 -5.1220 -5.1220 0.4573 0.4573 0.4633 0.4633 2.2619 2.2619 2.2828 2.2828 3.3432 3.3432 3.3649 3.3649 3.9245 3.9245 3.9406 3.9406 4.6539 4.6539 4.6696 4.6696 5.2156 5.2156 5.2429 5.2429 6.4474 6.4474 6.5430 6.5430 6.6521 6.6521 6.7891 6.7891 6.9967 6.9967 7.0614 7.0614 7.6452 7.6452 7.7013 7.7013 8.1683 8.1683 8.1979 8.1979 11.2006 11.2006 11.2173 11.2173 12.2638 12.2638 12.2673 12.2673 12.7094 12.7094 k = 0.5000 0.3986 0.3000 ( 4032 PWs) bands (ev): -6.5419 -6.5419 -6.5413 -6.5413 -5.1112 -5.1112 -5.1099 -5.1099 0.4532 0.4532 0.4591 0.4591 2.3001 2.3001 2.3217 2.3217 3.3498 3.3498 3.3719 3.3719 3.9082 3.9082 3.9246 3.9246 4.6203 4.6203 4.6348 4.6348 5.2303 5.2303 5.2583 5.2583 6.4398 6.4398 6.5278 6.5278 6.6551 6.6551 6.7932 6.7932 6.9970 6.9970 7.0704 7.0704 7.6398 7.6398 7.6975 7.6975 8.1625 8.1625 8.1921 8.1921 11.1680 11.1680 11.1842 11.1842 12.2121 12.2121 12.2155 12.2155 12.7538 12.7538 k = 0.5000 0.3986 0.2824 ( 4034 PWs) bands (ev): -6.5517 -6.5517 -6.5512 -6.5512 -5.0988 -5.0988 -5.0976 -5.0976 0.4463 0.4463 0.4521 0.4521 2.3407 2.3407 2.3629 2.3629 3.3567 3.3567 3.3791 3.3791 3.8929 3.8929 3.9094 3.9094 4.5861 4.5861 4.5994 4.5994 5.2454 5.2454 5.2738 5.2738 6.4319 6.4319 6.5124 6.5124 6.6592 6.6592 6.7978 6.7978 6.9980 6.9980 7.0802 7.0802 7.6354 7.6354 7.6947 7.6947 8.1555 8.1555 8.1856 8.1856 11.1383 11.1383 11.1539 11.1539 12.1591 12.1591 12.1623 12.1623 12.7975 12.7975 k = 0.5000 0.3986 0.2647 ( 4034 PWs) bands (ev): -6.5614 -6.5614 -6.5609 -6.5609 -5.0863 -5.0863 -5.0851 -5.0851 0.4372 0.4372 0.4427 0.4427 2.3833 2.3833 2.4061 2.4061 3.3638 3.3638 3.3864 3.3864 3.8785 3.8785 3.8951 3.8951 4.5513 4.5513 4.5635 4.5635 5.2607 5.2607 5.2894 5.2894 6.4236 6.4236 6.4969 6.4969 6.6645 6.6645 6.8029 6.8029 6.9997 6.9997 7.0901 7.0901 7.6323 7.6323 7.6933 7.6933 8.1472 8.1472 8.1781 8.1781 11.1121 11.1121 11.1269 11.1269 12.1052 12.1052 12.1084 12.1084 12.8396 12.8396 k = 0.5000 0.3986 0.2471 ( 4038 PWs) bands (ev): -6.5708 -6.5708 -6.5703 -6.5703 -5.0739 -5.0739 -5.0727 -5.0727 0.4261 0.4261 0.4314 0.4314 2.4276 2.4276 2.4508 2.4508 3.3711 3.3711 3.3938 3.3938 3.8649 3.8649 3.8816 3.8816 4.5161 4.5161 4.5271 4.5271 5.2763 5.2763 5.3050 5.3050 6.4149 6.4149 6.4815 6.4815 6.6709 6.6709 6.8086 6.8086 7.0020 7.0020 7.0997 7.0997 7.6309 7.6309 7.6934 7.6934 8.1375 8.1375 8.1695 8.1695 11.0897 11.0897 11.1036 11.1036 12.0510 12.0510 12.0539 12.0539 12.8792 12.8792 k = 0.5000 0.3986 0.2294 ( 4048 PWs) bands (ev): -6.5799 -6.5799 -6.5795 -6.5795 -5.0615 -5.0615 -5.0604 -5.0604 0.4135 0.4135 0.4185 0.4185 2.4730 2.4730 2.4965 2.4965 3.3786 3.3786 3.4014 3.4014 3.8522 3.8522 3.8689 3.8689 4.4804 4.4804 4.4903 4.4903 5.2918 5.2918 5.3203 5.3203 6.4060 6.4060 6.4663 6.4663 6.6783 6.6783 6.8146 6.8146 7.0047 7.0047 7.1083 7.1083 7.6315 7.6315 7.6953 7.6953 8.1262 8.1262 8.1597 8.1597 11.0716 11.0716 11.0846 11.0846 11.9964 11.9964 11.9992 11.9992 12.9156 12.9156 k = 0.5000 0.3986 0.2118 ( 4048 PWs) bands (ev): -6.5886 -6.5886 -6.5882 -6.5882 -5.0494 -5.0494 -5.0484 -5.0484 0.3998 0.3998 0.4046 0.4046 2.5189 2.5189 2.5426 2.5426 3.3863 3.3863 3.4091 3.4091 3.8404 3.8404 3.8570 3.8570 4.4446 4.4446 4.4534 4.4534 5.3074 5.3074 5.3353 5.3353 6.3973 6.3973 6.4517 6.4517 6.6867 6.6867 6.8211 6.8211 7.0075 7.0075 7.1156 7.1156 7.6343 7.6343 7.6994 7.6994 8.1133 8.1133 8.1487 8.1487 11.0583 11.0583 11.0702 11.0702 11.9417 11.9417 11.9444 11.9444 12.9483 12.9483 k = 0.5000 0.3986 0.1941 ( 4046 PWs) bands (ev): -6.5969 -6.5969 -6.5964 -6.5964 -5.0378 -5.0378 -5.0368 -5.0368 0.3856 0.3856 0.3900 0.3900 2.5649 2.5649 2.5885 2.5885 3.3942 3.3942 3.4168 3.4168 3.8296 3.8296 3.8460 3.8460 4.4087 4.4087 4.4165 4.4165 5.3226 5.3226 5.3498 5.3498 6.3887 6.3887 6.4376 6.4376 6.6961 6.6961 6.8276 6.8276 7.0104 7.0104 7.1214 7.1214 7.6395 7.6395 7.7057 7.7057 8.0988 8.0988 8.1363 8.1363 11.0499 11.0499 11.0608 11.0608 11.8870 11.8870 11.8895 11.8895 12.9765 12.9765 k = 0.5000 0.3986 0.1765 ( 4042 PWs) bands (ev): -6.6046 -6.6046 -6.6042 -6.6042 -5.0266 -5.0266 -5.0256 -5.0256 0.3711 0.3711 0.3752 0.3752 2.6104 2.6104 2.6337 2.6337 3.4022 3.4022 3.4244 3.4244 3.8198 3.8198 3.8359 3.8359 4.3731 4.3731 4.3799 4.3799 5.3375 5.3375 5.3636 5.3636 6.3805 6.3805 6.4242 6.4242 6.7064 6.7064 6.8341 6.8341 7.0132 7.0132 7.1252 7.1252 7.6473 7.6473 7.7144 7.7144 8.0826 8.0826 8.1224 8.1224 11.0467 11.0467 11.0565 11.0565 11.8321 11.8321 11.8346 11.8346 12.9996 12.9996 k = 0.5000 0.3986 0.1588 ( 4040 PWs) bands (ev): -6.6117 -6.6117 -6.6114 -6.6114 -5.0160 -5.0160 -5.0152 -5.0152 0.3568 0.3568 0.3605 0.3605 2.6548 2.6548 2.6775 2.6775 3.4102 3.4102 3.4318 3.4318 3.8111 3.8111 3.8268 3.8268 4.3379 4.3379 4.3438 4.3438 5.3518 5.3518 5.3764 5.3764 6.3727 6.3727 6.4115 6.4115 6.7175 6.7175 6.8402 6.8402 7.0160 7.0160 7.1269 7.1269 7.6578 7.6578 7.7256 7.7256 8.0648 8.0648 8.1071 8.1071 11.0489 11.0489 11.0576 11.0576 11.7772 11.7772 11.7796 11.7796 13.0167 13.0167 k = 0.5000 0.3986 0.1412 ( 4040 PWs) bands (ev): -6.6182 -6.6182 -6.6179 -6.6179 -5.0063 -5.0063 -5.0055 -5.0055 0.3431 0.3431 0.3464 0.3464 2.6973 2.6973 2.7193 2.7193 3.4182 3.4182 3.4389 3.4389 3.8036 3.8036 3.8188 3.8188 4.3036 4.3036 4.3087 4.3087 5.3654 5.3654 5.3883 5.3883 6.3656 6.3656 6.3997 6.3997 6.7291 6.7291 6.8455 6.8455 7.0189 7.0189 7.1266 7.1266 7.6709 7.6709 7.7392 7.7392 8.0454 8.0454 8.0903 8.0903 11.0566 11.0566 11.0641 11.0641 11.7223 11.7223 11.7245 11.7245 13.0271 13.0271 k = 0.5000 0.3986 0.1235 ( 4040 PWs) bands (ev): -6.6241 -6.6241 -6.6238 -6.6238 -4.9973 -4.9973 -4.9966 -4.9966 0.3302 0.3302 0.3331 0.3331 2.7375 2.7375 2.7582 2.7582 3.4260 3.4260 3.4455 3.4455 3.7975 3.7975 3.8120 3.8120 4.2706 4.2706 4.2750 4.2750 5.3781 5.3781 5.3989 5.3989 6.3592 6.3592 6.3888 6.3888 6.7413 6.7413 6.8497 6.8497 7.0222 7.0222 7.1242 7.1242 7.6866 7.6866 7.7552 7.7552 8.0244 8.0244 8.0720 8.0720 11.0698 11.0698 11.0762 11.0762 11.6673 11.6673 11.6694 11.6694 13.0300 13.0300 k = 0.5000 0.3986 0.1059 ( 4036 PWs) bands (ev): -6.6292 -6.6292 -6.6290 -6.6290 -4.9894 -4.9894 -4.9888 -4.9888 0.3184 0.3184 0.3209 0.3209 2.7746 2.7746 2.7937 2.7937 3.4335 3.4335 3.4515 3.4515 3.7928 3.7928 3.8063 3.8063 4.2395 4.2395 4.2434 4.2434 5.3897 5.3897 5.4082 5.4082 6.3537 6.3537 6.3789 6.3789 6.7539 6.7539 6.8524 6.8524 7.0261 7.0261 7.1199 7.1199 7.7046 7.7046 7.7732 7.7732 8.0021 8.0021 8.0523 8.0523 11.0884 11.0884 11.0937 11.0937 11.6125 11.6125 11.6144 11.6144 13.0254 13.0254 k = 0.5000 0.3986 0.0882 ( 4032 PWs) bands (ev): -6.6337 -6.6337 -6.6334 -6.6334 -4.9825 -4.9825 -4.9820 -4.9820 0.3081 0.3081 0.3102 0.3102 2.8080 2.8080 2.8250 2.8250 3.4406 3.4406 3.4566 3.4566 3.7896 3.7896 3.8018 3.8018 4.2110 4.2110 4.2144 4.2144 5.4001 5.4001 5.4160 5.4160 6.3492 6.3492 6.3701 6.3701 6.7667 6.7667 6.8532 6.8532 7.0309 7.0309 7.1140 7.1140 7.7248 7.7248 7.7931 7.7931 7.9786 7.9786 8.0313 8.0313 11.1122 11.1122 11.1166 11.1166 11.5579 11.5579 11.5597 11.5597 13.0144 13.0144 k = 0.5000 0.3986 0.0706 ( 4028 PWs) bands (ev): -6.6373 -6.6373 -6.6371 -6.6371 -4.9767 -4.9767 -4.9763 -4.9763 0.2993 0.2993 0.3010 0.3010 2.8368 2.8368 2.8513 2.8513 3.4471 3.4471 3.4606 3.4606 3.7879 3.7879 3.7984 3.7984 4.1859 4.1859 4.1888 4.1888 5.4092 5.4092 5.4222 5.4222 6.3457 6.3457 6.3625 6.3625 6.7795 6.7795 6.8518 6.8518 7.0368 7.0368 7.1067 7.1067 7.7468 7.7468 7.8145 7.8145 7.9541 7.9541 8.0092 8.0092 11.1411 11.1411 11.1445 11.1445 11.5039 11.5039 11.5056 11.5056 12.9995 12.9995 k = 0.5000 0.3986 0.0529 ( 4024 PWs) bands (ev): -6.6401 -6.6401 -6.6400 -6.6400 -4.9722 -4.9722 -4.9718 -4.9718 0.2924 0.2924 0.2937 0.2937 2.8606 2.8606 2.8720 2.8720 3.4528 3.4528 3.4634 3.4634 3.7874 3.7874 3.7959 3.7959 4.1652 4.1652 4.1675 4.1675 5.4168 5.4168 5.4268 5.4268 6.3435 6.3435 6.3560 6.3560 6.7921 6.7921 6.8483 6.8483 7.0438 7.0438 7.0984 7.0984 7.7703 7.7703 7.8369 7.8369 7.9291 7.9291 7.9861 7.9861 11.1746 11.1746 11.1772 11.1772 11.4509 11.4509 11.4523 11.4523 12.9839 12.9839 k = 0.5000 0.3986 0.0353 ( 4028 PWs) bands (ev): -6.6422 -6.6422 -6.6421 -6.6421 -4.9688 -4.9688 -4.9686 -4.9686 0.2874 0.2874 0.2883 0.2883 2.8787 2.8787 2.8866 2.8866 3.4576 3.4576 3.4649 3.4649 3.7880 3.7880 3.7939 3.7939 4.1496 4.1496 4.1513 4.1513 5.4228 5.4228 5.4295 5.4295 6.3423 6.3423 6.3507 6.3507 6.8042 6.8042 6.8427 6.8427 7.0519 7.0519 7.0893 7.0893 7.7950 7.7950 7.8590 7.8590 7.9047 7.9047 7.9622 7.9622 11.2122 11.2122 11.2141 11.2141 11.3993 11.3993 11.4006 11.4006 12.9707 12.9707 k = 0.5000 0.3986 0.0176 ( 4036 PWs) bands (ev): -6.6434 -6.6434 -6.6434 -6.6434 -4.9668 -4.9668 -4.9667 -4.9667 0.2845 0.2845 0.2849 0.2849 2.8907 2.8907 2.8947 2.8947 3.4613 3.4613 3.4651 3.4651 3.7891 3.7891 3.7922 3.7922 4.1400 4.1400 4.1409 4.1409 5.4271 5.4271 5.4305 5.4305 6.3425 6.3425 6.3467 6.3467 6.8156 6.8156 6.8352 6.8352 7.0607 7.0607 7.0797 7.0797 7.8203 7.8203 7.8672 7.8672 7.8944 7.8944 7.9380 7.9380 11.2530 11.2530 11.2543 11.2543 11.3503 11.3503 11.3513 11.3513 12.9621 12.9621 k = 0.5000 0.3986-0.0000 ( 4038 PWs) bands (ev): -6.6438 -6.6438 -6.6438 -6.6438 -4.9661 -4.9661 -4.9661 -4.9661 0.2836 0.2836 0.2836 0.2836 2.8960 2.8960 2.8960 2.8960 3.4639 3.4639 3.4639 3.4639 3.7906 3.7906 3.7906 3.7906 4.1371 4.1371 4.1371 4.1371 5.4297 5.4297 5.4297 5.4297 6.3439 6.3439 6.3439 6.3439 6.8261 6.8261 6.8261 6.8261 7.0701 7.0701 7.0701 7.0701 7.8457 7.8457 7.8457 7.8457 7.9141 7.9141 7.9141 7.9141 11.2865 11.2865 11.2865 11.2865 11.3151 11.3151 11.3151 11.3151 12.9593 12.9593 k = 0.0000 0.0000 0.8021 ( 4062 PWs) bands (ev): -6.3931 -6.3931 -6.3923 -6.3923 -5.2096 -5.2096 -5.2093 -5.2093 -0.0509 -0.0509 -0.0496 -0.0496 2.0360 2.0360 2.0383 2.0383 3.2186 3.2186 3.2209 3.2209 4.4925 4.4925 4.4963 4.4963 4.9810 4.9810 4.9879 4.9879 5.2709 5.2709 5.2865 5.2865 6.6179 6.6179 6.6235 6.6235 6.7605 6.7605 6.8084 6.8084 7.1155 7.1155 7.1350 7.1350 7.8354 7.8354 7.8528 7.8528 8.2132 8.2132 8.2533 8.2533 11.3579 11.3579 11.3581 11.3581 12.2855 12.2855 12.2865 12.2865 12.8296 12.8296 k = 0.0139 0.0111 0.8021 ( 4064 PWs) bands (ev): -6.3932 -6.3930 -6.3923 -6.3923 -5.2098 -5.2096 -5.2095 -5.2093 -0.0499 -0.0498 -0.0488 -0.0483 2.0300 2.0319 2.0331 2.0333 3.2233 3.2254 3.2266 3.2268 4.4913 4.4916 4.4947 4.4958 4.9807 4.9815 4.9869 4.9893 5.2693 5.2716 5.2860 5.2861 6.6122 6.6218 6.6231 6.6247 6.7595 6.7608 6.8083 6.8084 7.1138 7.1193 7.1312 7.1406 7.8333 7.8366 7.8524 7.8526 8.2104 8.2134 8.2497 8.2543 11.3598 11.3598 11.3600 11.3604 12.2839 12.2843 12.2850 12.2852 12.8304 12.8304 k = 0.0278 0.0221 0.8021 ( 4070 PWs) bands (ev): -6.3931 -6.3929 -6.3923 -6.3921 -5.2101 -5.2098 -5.2097 -5.2095 -0.0468 -0.0465 -0.0458 -0.0448 2.0142 2.0180 2.0180 2.0184 3.2394 3.2435 3.2438 3.2441 4.4880 4.4885 4.4908 4.4930 4.9806 4.9822 4.9861 4.9909 5.2666 5.2712 5.2844 5.2847 6.6061 6.6196 6.6255 6.6276 6.7579 6.7607 6.8081 6.8084 7.1142 7.1251 7.1294 7.1480 7.8302 7.8369 7.8514 7.8517 8.2052 8.2113 8.2434 8.2528 11.3655 11.3658 11.3661 11.3667 12.2795 12.2802 12.2804 12.2809 12.8328 12.8328 k = 0.0417 0.0332 0.8021 ( 4074 PWs) bands (ev): -6.3931 -6.3927 -6.3922 -6.3920 -5.2105 -5.2102 -5.2099 -5.2097 -0.0415 -0.0411 -0.0408 -0.0393 1.9898 1.9942 1.9947 1.9953 3.2659 3.2713 3.2718 3.2718 4.4825 4.4833 4.4847 4.4879 4.9807 4.9831 4.9856 4.9929 5.2630 5.2699 5.2820 5.2823 6.5997 6.6168 6.6259 6.6313 6.7554 6.7602 6.8076 6.8085 7.1168 7.1296 7.1329 7.1570 7.8260 7.8363 7.8498 7.8503 8.1977 8.2071 8.2348 8.2489 11.3752 11.3756 11.3762 11.3770 12.2721 12.2729 12.2731 12.2735 12.8368 12.8369 k = 0.0556 0.0443 0.8021 ( 4078 PWs) bands (ev): -6.3929 -6.3925 -6.3921 -6.3918 -5.2110 -5.2107 -5.2102 -5.2101 -0.0344 -0.0339 -0.0338 -0.0319 1.9583 1.9629 1.9637 1.9651 3.3013 3.3077 3.3084 3.3089 4.4748 4.4758 4.4764 4.4806 4.9809 4.9841 4.9855 4.9951 5.2584 5.2678 5.2787 5.2792 6.5933 6.6133 6.6262 6.6343 6.7522 6.7597 6.8069 6.8086 7.1213 7.1318 7.1425 7.1676 7.8205 7.8348 7.8475 7.8481 8.1880 8.2009 8.2239 8.2427 11.3886 11.3893 11.3900 11.3910 12.2617 12.2623 12.2632 12.2632 12.8427 12.8428 k = 0.0694 0.0554 0.8021 ( 4070 PWs) bands (ev): -6.3928 -6.3922 -6.3919 -6.3915 -5.2116 -5.2113 -5.2107 -5.2106 -0.0253 -0.0251 -0.0246 -0.0226 1.9211 1.9260 1.9270 1.9292 3.3442 3.3515 3.3523 3.3531 4.4649 4.4657 4.4661 4.4708 4.9814 4.9853 4.9856 4.9976 5.2530 5.2648 5.2747 5.2752 6.5868 6.6093 6.6263 6.6364 6.7483 6.7593 6.8060 6.8088 7.1278 7.1363 7.1538 7.1796 7.8136 7.8324 7.8446 7.8452 8.1766 8.1933 8.2111 8.2347 11.4057 11.4066 11.4074 11.4087 12.2483 12.2487 12.2497 12.2502 12.8505 12.8505 k = 0.0833 0.0664 0.8021 ( 4070 PWs) bands (ev): -6.3926 -6.3919 -6.3917 -6.3912 -5.2123 -5.2120 -5.2112 -5.2112 -0.0147 -0.0147 -0.0137 -0.0117 1.8801 1.8851 1.8863 1.8892 3.3929 3.4010 3.4020 3.4030 4.4526 4.4527 4.4540 4.4586 4.9821 4.9860 4.9867 5.0004 5.2467 5.2611 5.2699 5.2705 6.5805 6.6046 6.6263 6.6376 6.7436 6.7590 6.8048 6.8091 7.1359 7.1427 7.1666 7.1929 7.8052 7.8290 7.8409 7.8413 8.1638 8.1845 8.1968 8.2251 11.4262 11.4273 11.4282 11.4298 12.2318 12.2319 12.2332 12.2341 12.8603 12.8603 k = 0.0972 0.0775 0.8021 ( 4066 PWs) bands (ev): -6.3924 -6.3915 -6.3915 -6.3909 -5.2131 -5.2128 -5.2118 -5.2118 -0.0029 -0.0026 -0.0015 0.0006 1.8367 1.8417 1.8431 1.8467 3.4460 3.4549 3.4560 3.4571 4.4372 4.4379 4.4394 4.4438 4.9829 4.9867 4.9881 5.0034 5.2399 5.2568 5.2646 5.2653 6.5745 6.5995 6.6262 6.6381 6.7385 6.7590 6.8033 6.8095 7.1454 7.1512 7.1807 7.2072 7.7952 7.8245 7.8364 7.8365 8.1501 8.1751 8.1814 8.2145 11.4499 11.4512 11.4521 11.4540 12.2120 12.2123 12.2135 12.2150 12.8721 12.8722 k = 0.1111 0.0886 0.8021 ( 4054 PWs) bands (ev): -6.3921 -6.3912 -6.3912 -6.3906 -5.2139 -5.2136 -5.2125 -5.2125 0.0100 0.0106 0.0119 0.0140 1.7923 1.7971 1.7989 1.8030 3.5023 3.5119 3.5131 3.5143 4.4192 4.4206 4.4223 4.4264 4.9839 4.9876 4.9897 5.0066 5.2325 5.2520 5.2588 5.2596 6.5688 6.5940 6.6262 6.6379 6.7330 6.7593 6.8016 6.8099 7.1562 7.1616 7.1960 7.2224 7.7835 7.8189 7.8307 7.8311 8.1360 8.1654 8.1655 8.2031 11.4765 11.4781 11.4789 11.4811 12.1891 12.1897 12.1909 12.1928 12.8858 12.8860 k = 0.1250 0.0997 0.8021 ( 4050 PWs) bands (ev): -6.3918 -6.3910 -6.3908 -6.3903 -5.2147 -5.2144 -5.2132 -5.2132 0.0237 0.0246 0.0262 0.0282 1.7482 1.7527 1.7547 1.7594 3.5607 3.5710 3.5723 3.5734 4.3985 4.4007 4.4025 4.4062 4.9849 4.9887 4.9913 5.0100 5.2247 5.2469 5.2527 5.2537 6.5635 6.5882 6.6262 6.6371 6.7273 6.7599 6.7996 6.8103 7.1679 7.1736 7.2122 7.2381 7.7702 7.8119 7.8237 7.8251 8.1221 8.1494 8.1559 8.1915 11.5057 11.5076 11.5083 11.5108 12.1634 12.1643 12.1654 12.1678 12.9014 12.9018 k = 0.1389 0.1107 0.8021 ( 4042 PWs) bands (ev): -6.3915 -6.3907 -6.3904 -6.3900 -5.2155 -5.2153 -5.2140 -5.2139 0.0379 0.0390 0.0408 0.0427 1.7053 1.7095 1.7119 1.7170 3.6202 3.6313 3.6326 3.6336 4.3752 4.3781 4.3800 4.3832 4.9861 4.9899 4.9929 5.0136 5.2167 5.2417 5.2465 5.2476 6.5588 6.5823 6.6263 6.6359 6.7215 6.7608 6.7974 6.8107 7.1800 7.1871 7.2291 7.2542 7.7554 7.8038 7.8155 7.8183 8.1088 8.1338 8.1470 8.1802 11.5373 11.5394 11.5400 11.5428 12.1351 12.1363 12.1372 12.1401 12.9186 12.9191 k = 0.1528 0.1218 0.8021 ( 4042 PWs) bands (ev): -6.3913 -6.3904 -6.3901 -6.3897 -5.2163 -5.2161 -5.2147 -5.2146 0.0520 0.0534 0.0554 0.0573 1.6647 1.6686 1.6712 1.6768 3.6801 3.6920 3.6932 3.6941 4.3491 4.3526 4.3545 4.3572 4.9873 4.9913 4.9944 5.0172 5.2087 5.2364 5.2404 5.2416 6.5547 6.5764 6.6265 6.6344 6.7159 6.7619 6.7950 6.8111 7.1924 7.2016 7.2463 7.2703 7.7394 7.7946 7.8061 7.8109 8.0967 8.1190 8.1388 8.1693 11.5709 11.5732 11.5736 11.5768 12.1043 12.1058 12.1065 12.1099 12.9369 12.9372 k = 0.1667 0.1329 0.8021 ( 4054 PWs) bands (ev): -6.3910 -6.3902 -6.3898 -6.3894 -5.2171 -5.2168 -5.2153 -5.2152 0.0657 0.0674 0.0696 0.0713 1.6273 1.6308 1.6338 1.6398 3.7397 3.7524 3.7536 3.7543 4.3202 4.3242 4.3261 4.3283 4.9884 4.9927 4.9958 5.0207 5.2010 5.2313 5.2346 5.2358 6.5512 6.5707 6.6267 6.6327 6.7105 6.7633 6.7924 6.8113 7.2044 7.2166 7.2633 7.2857 7.7227 7.7847 7.7959 7.8032 8.0861 8.1055 8.1316 8.1594 11.6061 11.6088 11.6090 11.6125 12.0714 12.0731 12.0737 12.0775 12.9554 12.9559 k = 0.1806 0.1440 0.8021 ( 4052 PWs) bands (ev): -6.3908 -6.3900 -6.3895 -6.3892 -5.2177 -5.2175 -5.2160 -5.2158 0.0784 0.0803 0.0829 0.0844 1.5941 1.5971 1.6005 1.6067 3.7984 3.8119 3.8130 3.8136 4.2886 4.2929 4.2948 4.2963 4.9896 4.9942 4.9971 5.0242 5.1937 5.2267 5.2292 5.2306 6.5484 6.5653 6.6270 6.6311 6.7056 6.7650 6.7897 6.8115 7.2158 7.2316 7.2799 7.3001 7.7061 7.7746 7.7852 7.7956 8.0772 8.0936 8.1256 8.1508 11.6428 11.6457 11.6458 11.6496 12.0368 12.0387 12.0390 12.0433 12.9736 12.9749 k = 0.1944 0.1550 0.8021 ( 4052 PWs) bands (ev): -6.3906 -6.3898 -6.3892 -6.3890 -5.2183 -5.2181 -5.2165 -5.2163 0.0897 0.0918 0.0946 0.0959 1.5657 1.5681 1.5719 1.5785 3.8555 3.8701 3.8711 3.8715 4.2543 4.2585 4.2604 4.2614 4.9906 4.9956 4.9981 5.0274 5.1872 5.2226 5.2245 5.2259 6.5465 6.5604 6.6273 6.6296 6.7013 6.7670 6.7871 6.8117 7.2259 7.2459 7.2954 7.3128 7.6903 7.7650 7.7746 7.7884 8.0703 8.0835 8.1206 8.1435 11.6806 11.6834 11.6839 11.6876 12.0006 12.0027 12.0028 12.0075 12.9910 12.9929 k = 0.2083 0.1661 0.8021 ( 4048 PWs) bands (ev): -6.3905 -6.3896 -6.3890 -6.3888 -5.2187 -5.2186 -5.2169 -5.2167 0.0990 0.1014 0.1044 0.1054 1.5429 1.5448 1.5489 1.5557 3.9102 3.9264 3.9271 3.9275 4.2178 4.2214 4.2233 4.2236 4.9915 4.9969 4.9989 5.0301 5.1818 5.2192 5.2206 5.2221 6.5454 6.5560 6.6277 6.6284 6.6978 6.7691 6.7843 6.8119 7.2345 7.2585 7.3092 7.3231 7.6764 7.7567 7.7646 7.7822 8.0653 8.0752 8.1168 8.1377 11.7190 11.7218 11.7227 11.7263 11.9635 11.9654 11.9657 11.9705 13.0064 13.0089 k = 0.2222 0.1772 0.8021 ( 4044 PWs) bands (ev): -6.3903 -6.3895 -6.3888 -6.3887 -5.2190 -5.2190 -5.2172 -5.2170 0.1061 0.1086 0.1119 0.1126 1.5262 1.5275 1.5320 1.5390 3.9611 3.9801 3.9803 3.9807 4.1800 4.1818 4.1834 4.1838 4.9921 4.9980 4.9994 5.0323 5.1776 5.2168 5.2176 5.2193 6.5451 6.5523 6.6275 6.6279 6.6952 6.7713 6.7816 6.8119 7.2410 7.2685 7.3205 7.3303 7.6654 7.7505 7.7562 7.7773 8.0622 8.0688 8.1141 8.1336 11.7573 11.7600 11.7617 11.7649 11.9260 11.9274 11.9284 11.9331 13.0187 13.0217 k = 0.2361 0.1882 0.8021 ( 4040 PWs) bands (ev): -6.3903 -6.3894 -6.3887 -6.3886 -5.2192 -5.2192 -5.2174 -5.2172 0.1104 0.1131 0.1166 0.1169 1.5162 1.5168 1.5217 1.5288 4.0046 4.0285 4.0290 4.0292 4.1416 4.1426 4.1440 4.1446 4.9926 4.9989 4.9996 5.0337 5.1751 5.2153 5.2157 5.2176 6.5457 6.5493 6.6269 6.6282 6.6936 6.7738 6.7789 6.8120 7.2451 7.2750 7.3288 7.3338 7.6582 7.7471 7.7501 7.7742 8.0611 8.0644 8.1125 8.1311 11.7938 11.7962 11.7996 11.8016 11.8902 11.8904 11.8925 11.8971 13.0267 13.0301 k = 0.2500 0.1993 0.8021 ( 4036 PWs) bands (ev): -6.3902 -6.3894 -6.3886 -6.3886 -5.2193 -5.2193 -5.2175 -5.2173 0.1119 0.1146 0.1183 0.1183 1.5130 1.5130 1.5182 1.5254 4.0257 4.0562 4.0581 4.0581 4.1159 4.1159 4.1190 4.1262 4.9927 4.9994 4.9994 5.0342 5.1742 5.2150 5.2150 5.2170 6.5471 6.5471 6.6267 6.6282 6.6931 6.7763 6.7763 6.8120 7.2465 7.2772 7.3333 7.3333 7.6557 7.7470 7.7470 7.7731 8.0618 8.0618 8.1120 8.1303 11.8165 11.8165 11.8236 11.8241 11.8659 11.8701 11.8701 11.8754 13.0295 13.0332 Writing output data file CuBS2.save init_run : 3.65s CPU 13.44s WALL ( 1 calls) electrons : 1020.57s CPU 1030.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1020.52s CPU 1030.04s WALL ( 1 calls) v_of_rho : 0.05s CPU 1.05s WALL ( 1 calls) v_h : 0.00s CPU 0.06s WALL ( 1 calls) v_xc : 0.04s CPU 0.65s WALL ( 1 calls) newd : 0.67s CPU 0.92s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 317 calls) cegterg : 956.29s CPU 961.95s WALL ( 765 calls) Called by sum_band: Called by *egterg: h_psi : 400.23s CPU 408.85s WALL ( 13576 calls) s_psi : 65.48s CPU 65.72s WALL ( 13576 calls) g_psi : 0.82s CPU 0.87s WALL ( 12494 calls) cdiaghg : 379.16s CPU 376.59s WALL ( 12811 calls) cegterg:over : 73.01s CPU 70.07s WALL ( 12494 calls) cegterg:upda : 18.43s CPU 22.23s WALL ( 12494 calls) cegterg:last : 16.03s CPU 16.79s WALL ( 2036 calls) Called by h_psi: h_psi:vloc : 279.01s CPU 285.82s WALL ( 13576 calls) h_psi:vnl : 120.79s CPU 122.04s WALL ( 13576 calls) add_vuspsi : 47.79s CPU 51.80s WALL ( 13576 calls) General routines calbec : 72.95s CPU 70.13s WALL ( 13576 calls) fft : 0.30s CPU 1.06s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 262.12s CPU 265.64s WALL ( 1497840 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 3.10s WALL ( 634 calls) Parallel routines fft_scatter : 180.43s CPU 182.67s WALL ( 1497863 calls) PWSCF : 18m 9.47s CPU 19m35.14s WALL This run was terminated on: 19:12:27 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=