Program PWSCF v.5.1.1 starts on 9Oct2015 at 22:14:19 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 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 56 20 6 2214 476 79 Max 57 21 7 2221 489 84 Sum 2717 977 293 106445 23073 3839 bravais-lattice index = 14 lattice parameter (alat) = 7.6969 a.u. unit-cell volume = 455.9562 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.696854 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.005061 celldm(5)= 0.005061 celldm(6)= 0.005061 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.005061 0.999987 0.000000 ) a(3) = ( 0.005061 0.005036 0.999975 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.005061 -0.005036 ) b(2) = ( 0.000000 1.000013 -0.005036 ) b(3) = ( 0.000000 0.000000 1.000025 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0128205 -0.0000649 -0.0000646), wk = 0.0031056 k( 3) = ( 0.0256410 -0.0001298 -0.0001291), wk = 0.0031056 k( 4) = ( 0.0384615 -0.0001947 -0.0001937), wk = 0.0031056 k( 5) = ( 0.0512821 -0.0002596 -0.0002583), wk = 0.0031056 k( 6) = ( 0.0641026 -0.0003245 -0.0003228), wk = 0.0031056 k( 7) = ( 0.0769231 -0.0003893 -0.0003874), wk = 0.0031056 k( 8) = ( 0.0897436 -0.0004542 -0.0004520), wk = 0.0031056 k( 9) = ( 0.1025641 -0.0005191 -0.0005165), wk = 0.0031056 k( 10) = ( 0.1153846 -0.0005840 -0.0005811), wk = 0.0031056 k( 11) = ( 0.1282051 -0.0006489 -0.0006457), wk = 0.0031056 k( 12) = ( 0.1410256 -0.0007138 -0.0007102), wk = 0.0031056 k( 13) = ( 0.1538461 -0.0007787 -0.0007748), wk = 0.0031056 k( 14) = ( 0.1666667 -0.0008436 -0.0008393), wk = 0.0031056 k( 15) = ( 0.1794872 -0.0009085 -0.0009039), wk = 0.0031056 k( 16) = ( 0.1923077 -0.0009734 -0.0009685), wk = 0.0031056 k( 17) = ( 0.2051282 -0.0010383 -0.0010330), wk = 0.0031056 k( 18) = ( 0.2179487 -0.0011031 -0.0010976), wk = 0.0031056 k( 19) = ( 0.2307692 -0.0011680 -0.0011622), wk = 0.0031056 k( 20) = ( 0.2435897 -0.0012329 -0.0012267), wk = 0.0031056 k( 21) = ( 0.2564103 -0.0012978 -0.0012913), wk = 0.0031056 k( 22) = ( 0.2692308 -0.0013627 -0.0013559), wk = 0.0031056 k( 23) = ( 0.2820513 -0.0014276 -0.0014204), wk = 0.0031056 k( 24) = ( 0.2948718 -0.0014925 -0.0014850), wk = 0.0031056 k( 25) = ( 0.3076923 -0.0015574 -0.0015496), wk = 0.0031056 k( 26) = ( 0.3205128 -0.0016223 -0.0016141), wk = 0.0031056 k( 27) = ( 0.3333333 -0.0016872 -0.0016787), wk = 0.0031056 k( 28) = ( 0.3461538 -0.0017521 -0.0017433), wk = 0.0031056 k( 29) = ( 0.3589744 -0.0018169 -0.0018078), wk = 0.0031056 k( 30) = ( 0.3717949 -0.0018818 -0.0018724), wk = 0.0031056 k( 31) = ( 0.3846154 -0.0019467 -0.0019370), wk = 0.0031056 k( 32) = ( 0.3974359 -0.0020116 -0.0020015), wk = 0.0031056 k( 33) = ( 0.4102564 -0.0020765 -0.0020661), wk = 0.0031056 k( 34) = ( 0.4230769 -0.0021414 -0.0021306), wk = 0.0031056 k( 35) = ( 0.4358974 -0.0022063 -0.0021952), wk = 0.0031056 k( 36) = ( 0.4487179 -0.0022712 -0.0022598), wk = 0.0031056 k( 37) = ( 0.4615385 -0.0023361 -0.0023243), wk = 0.0031056 k( 38) = ( 0.4743590 -0.0024010 -0.0023889), wk = 0.0031056 k( 39) = ( 0.4871795 -0.0024659 -0.0024535), wk = 0.0031056 k( 40) = ( 0.5000000 -0.0025307 -0.0025180), wk = 0.0031056 k( 41) = ( 0.5000000 -0.0025307 -0.0025180), wk = 0.0031056 k( 42) = ( 0.5000000 0.0064692 -0.0115634), wk = 0.0031056 k( 43) = ( 0.5000000 0.0154691 -0.0206088), wk = 0.0031056 k( 44) = ( 0.5000000 0.0244690 -0.0296541), wk = 0.0031056 k( 45) = ( 0.5000000 0.0334689 -0.0386995), wk = 0.0031056 k( 46) = ( 0.5000000 0.0424689 -0.0477448), wk = 0.0031056 k( 47) = ( 0.5000000 0.0514688 -0.0567902), wk = 0.0031056 k( 48) = ( 0.5000000 0.0604687 -0.0658355), wk = 0.0031056 k( 49) = ( 0.5000000 0.0694686 -0.0748809), wk = 0.0031056 k( 50) = ( 0.5000000 0.0784685 -0.0839263), wk = 0.0031056 k( 51) = ( 0.5000000 0.0874685 -0.0929716), wk = 0.0031056 k( 52) = ( 0.5000000 0.0964684 -0.1020170), wk = 0.0031056 k( 53) = ( 0.5000000 0.1054683 -0.1110623), wk = 0.0031056 k( 54) = ( 0.5000000 0.1144682 -0.1201077), wk = 0.0031056 k( 55) = ( 0.5000000 0.1234681 -0.1291530), wk = 0.0031056 k( 56) = ( 0.5000000 0.1324681 -0.1381984), wk = 0.0031056 k( 57) = ( 0.5000000 0.1414680 -0.1472438), wk = 0.0031056 k( 58) = ( 0.5000000 0.1504679 -0.1562891), wk = 0.0031056 k( 59) = ( 0.5000000 0.1594678 -0.1653345), wk = 0.0031056 k( 60) = ( 0.5000000 0.1684677 -0.1743798), wk = 0.0031056 k( 61) = ( 0.5000000 0.1774677 -0.1834252), wk = 0.0031056 k( 62) = ( 0.5000000 0.1864676 -0.1924706), wk = 0.0031056 k( 63) = ( 0.5000000 0.1954675 -0.2015159), wk = 0.0031056 k( 64) = ( 0.5000000 0.2044674 -0.2105613), wk = 0.0031056 k( 65) = ( 0.5000000 0.2134673 -0.2196066), wk = 0.0031056 k( 66) = ( 0.5000000 0.2224673 -0.2286520), wk = 0.0031056 k( 67) = ( 0.5000000 0.2314672 -0.2376974), wk = 0.0031056 k( 68) = ( 0.5000000 0.2404671 -0.2467427), wk = 0.0031056 k( 69) = ( 0.5000000 0.2494670 -0.2557881), wk = 0.0031056 k( 70) = ( 0.5000000 0.2584669 -0.2648334), wk = 0.0031056 k( 71) = ( 0.5000000 0.2674669 -0.2738788), wk = 0.0031056 k( 72) = ( 0.5000000 0.2764668 -0.2829241), wk = 0.0031056 k( 73) = ( 0.5000000 0.2854667 -0.2919695), wk = 0.0031056 k( 74) = ( 0.5000000 0.2944666 -0.3010149), wk = 0.0031056 k( 75) = ( 0.5000000 0.3034666 -0.3100602), wk = 0.0031056 k( 76) = ( 0.5000000 0.3124665 -0.3191056), wk = 0.0031056 k( 77) = ( 0.5000000 0.3214664 -0.3281509), wk = 0.0031056 k( 78) = ( 0.5000000 0.3304663 -0.3371963), wk = 0.0031056 k( 79) = ( 0.5000000 0.3394662 -0.3462417), wk = 0.0031056 k( 80) = ( 0.5000000 0.3484662 -0.3552870), wk = 0.0031056 k( 81) = ( 0.5000000 0.3574661 -0.3643324), wk = 0.0031056 k( 82) = ( 0.5000000 0.3664660 -0.3733777), wk = 0.0031056 k( 83) = ( 0.5000000 0.3754659 -0.3824231), wk = 0.0031056 k( 84) = ( 0.5000000 0.3844658 -0.3914684), wk = 0.0031056 k( 85) = ( 0.5000000 0.3934658 -0.4005138), wk = 0.0031056 k( 86) = ( 0.5000000 0.4024657 -0.4095592), wk = 0.0031056 k( 87) = ( 0.5000000 0.4114656 -0.4186045), wk = 0.0031056 k( 88) = ( 0.5000000 0.4204655 -0.4276499), wk = 0.0031056 k( 89) = ( 0.5000000 0.4294654 -0.4366952), wk = 0.0031056 k( 90) = ( 0.5000000 0.4384654 -0.4457406), wk = 0.0031056 k( 91) = ( 0.5000000 0.4474653 -0.4547860), wk = 0.0031056 k( 92) = ( 0.5000000 0.4564652 -0.4638313), wk = 0.0031056 k( 93) = ( 0.5000000 0.4654651 -0.4728767), wk = 0.0031056 k( 94) = ( 0.5000000 0.4744650 -0.4819220), wk = 0.0031056 k( 95) = ( 0.5000000 0.4834650 -0.4909674), wk = 0.0031056 k( 96) = ( 0.5000000 0.4924649 -0.5000127), wk = 0.0031056 k( 97) = ( 0.5050107 0.4974503 0.4899406), wk = 0.0031056 k( 98) = ( 0.5000000 0.4974757 0.4949767), wk = 0.0031056 k( 99) = ( 0.5000000 0.4974757 0.4949767), wk = 0.0031056 k( 100) = ( 0.4925373 0.4900506 0.4875890), wk = 0.0031056 k( 101) = ( 0.4850746 0.4826256 0.4802013), wk = 0.0031056 k( 102) = ( 0.4776119 0.4752006 0.4728135), wk = 0.0031056 k( 103) = ( 0.4701493 0.4677756 0.4654258), wk = 0.0031056 k( 104) = ( 0.4626866 0.4603506 0.4580381), wk = 0.0031056 k( 105) = ( 0.4552239 0.4529256 0.4506504), wk = 0.0031056 k( 106) = ( 0.4477612 0.4455006 0.4432627), wk = 0.0031056 k( 107) = ( 0.4402985 0.4380756 0.4358750), wk = 0.0031056 k( 108) = ( 0.4328358 0.4306506 0.4284873), wk = 0.0031056 k( 109) = ( 0.4253731 0.4232256 0.4210996), wk = 0.0031056 k( 110) = ( 0.4179104 0.4158006 0.4137118), wk = 0.0031056 k( 111) = ( 0.4104478 0.4083755 0.4063241), wk = 0.0031056 k( 112) = ( 0.4029851 0.4009505 0.3989364), wk = 0.0031056 k( 113) = ( 0.3955224 0.3935255 0.3915487), wk = 0.0031056 k( 114) = ( 0.3880597 0.3861005 0.3841610), wk = 0.0031056 k( 115) = ( 0.3805970 0.3786755 0.3767733), wk = 0.0031056 k( 116) = ( 0.3731343 0.3712505 0.3693856), wk = 0.0031056 k( 117) = ( 0.3656716 0.3638255 0.3619979), wk = 0.0031056 k( 118) = ( 0.3582090 0.3564005 0.3546102), wk = 0.0031056 k( 119) = ( 0.3507463 0.3489755 0.3472224), wk = 0.0031056 k( 120) = ( 0.3432836 0.3415504 0.3398347), wk = 0.0031056 k( 121) = ( 0.3358209 0.3341254 0.3324470), wk = 0.0031056 k( 122) = ( 0.3283582 0.3267004 0.3250593), wk = 0.0031056 k( 123) = ( 0.3208955 0.3192754 0.3176716), wk = 0.0031056 k( 124) = ( 0.3134328 0.3118504 0.3102839), wk = 0.0031056 k( 125) = ( 0.3059701 0.3044254 0.3028962), wk = 0.0031056 k( 126) = ( 0.2985075 0.2970004 0.2955085), wk = 0.0031056 k( 127) = ( 0.2910448 0.2895754 0.2881208), wk = 0.0031056 k( 128) = ( 0.2835821 0.2821504 0.2807330), wk = 0.0031056 k( 129) = ( 0.2761194 0.2747254 0.2733453), wk = 0.0031056 k( 130) = ( 0.2686567 0.2673004 0.2659576), wk = 0.0031056 k( 131) = ( 0.2611940 0.2598753 0.2585699), wk = 0.0031056 k( 132) = ( 0.2537313 0.2524503 0.2511822), wk = 0.0031056 k( 133) = ( 0.2462687 0.2450253 0.2437945), wk = 0.0031056 k( 134) = ( 0.2388060 0.2376003 0.2364068), wk = 0.0031056 k( 135) = ( 0.2313433 0.2301753 0.2290191), wk = 0.0031056 k( 136) = ( 0.2238806 0.2227503 0.2216313), wk = 0.0031056 k( 137) = ( 0.2164179 0.2153253 0.2142436), wk = 0.0031056 k( 138) = ( 0.2089552 0.2079003 0.2068559), wk = 0.0031056 k( 139) = ( 0.2014925 0.2004753 0.1994682), wk = 0.0031056 k( 140) = ( 0.1940299 0.1930503 0.1920805), wk = 0.0031056 k( 141) = ( 0.1865672 0.1856252 0.1846928), wk = 0.0031056 k( 142) = ( 0.1791045 0.1782002 0.1773051), wk = 0.0031056 k( 143) = ( 0.1716418 0.1707752 0.1699174), wk = 0.0031056 k( 144) = ( 0.1641791 0.1633502 0.1625296), wk = 0.0031056 k( 145) = ( 0.1567164 0.1559252 0.1551419), wk = 0.0031056 k( 146) = ( 0.1492537 0.1485002 0.1477542), wk = 0.0031056 k( 147) = ( 0.1417910 0.1410752 0.1403665), wk = 0.0031056 k( 148) = ( 0.1343284 0.1336502 0.1329788), wk = 0.0031056 k( 149) = ( 0.1268657 0.1262252 0.1255911), wk = 0.0031056 k( 150) = ( 0.1194030 0.1188002 0.1182034), wk = 0.0031056 k( 151) = ( 0.1119403 0.1113751 0.1108157), wk = 0.0031056 k( 152) = ( 0.1044776 0.1039501 0.1034280), wk = 0.0031056 k( 153) = ( 0.0970149 0.0965251 0.0960403), wk = 0.0031056 k( 154) = ( 0.0895522 0.0891001 0.0886525), wk = 0.0031056 k( 155) = ( 0.0820895 0.0816751 0.0812648), wk = 0.0031056 k( 156) = ( 0.0746269 0.0742501 0.0738771), wk = 0.0031056 k( 157) = ( 0.0671642 0.0668251 0.0664894), wk = 0.0031056 k( 158) = ( 0.0597015 0.0594001 0.0591017), wk = 0.0031056 k( 159) = ( 0.0522388 0.0519751 0.0517140), wk = 0.0031056 k( 160) = ( 0.0447761 0.0445501 0.0443263), wk = 0.0031056 k( 161) = ( 0.0373134 0.0371250 0.0369386), wk = 0.0031056 k( 162) = ( 0.0298507 0.0297000 0.0295508), wk = 0.0031056 k( 163) = ( 0.0223881 0.0222750 0.0221631), wk = 0.0031056 k( 164) = ( 0.0149254 0.0148500 0.0147754), wk = 0.0031056 k( 165) = ( 0.0074627 0.0074250 0.0073877), wk = 0.0031056 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 168) = ( 0.0090454 -0.0000458 -0.0090911), wk = 0.0031056 k( 169) = ( 0.0180907 -0.0000916 -0.0181823), wk = 0.0031056 k( 170) = ( 0.0271361 -0.0001373 -0.0272734), wk = 0.0031056 k( 171) = ( 0.0361814 -0.0001831 -0.0363646), wk = 0.0031056 k( 172) = ( 0.0452268 -0.0002289 -0.0454557), wk = 0.0031056 k( 173) = ( 0.0542721 -0.0002747 -0.0545468), wk = 0.0031056 k( 174) = ( 0.0633175 -0.0003205 -0.0636380), wk = 0.0031056 k( 175) = ( 0.0723629 -0.0003663 -0.0727291), wk = 0.0031056 k( 176) = ( 0.0814082 -0.0004120 -0.0818203), wk = 0.0031056 k( 177) = ( 0.0904536 -0.0004578 -0.0909114), wk = 0.0031056 k( 178) = ( 0.0994989 -0.0005036 -0.1000026), wk = 0.0031056 k( 179) = ( 0.1085443 -0.0005494 -0.1090937), wk = 0.0031056 k( 180) = ( 0.1175896 -0.0005952 -0.1181848), wk = 0.0031056 k( 181) = ( 0.1266350 -0.0006410 -0.1272760), wk = 0.0031056 k( 182) = ( 0.1356804 -0.0006867 -0.1363671), wk = 0.0031056 k( 183) = ( 0.1447257 -0.0007325 -0.1454582), wk = 0.0031056 k( 184) = ( 0.1537711 -0.0007783 -0.1545494), wk = 0.0031056 k( 185) = ( 0.1628164 -0.0008241 -0.1636405), wk = 0.0031056 k( 186) = ( 0.1718618 -0.0008699 -0.1727317), wk = 0.0031056 k( 187) = ( 0.1809071 -0.0009157 -0.1818228), wk = 0.0031056 k( 188) = ( 0.1899525 -0.0009614 -0.1909140), wk = 0.0031056 k( 189) = ( 0.1989979 -0.0010072 -0.2000051), wk = 0.0031056 k( 190) = ( 0.2080432 -0.0010530 -0.2090962), wk = 0.0031056 k( 191) = ( 0.2170886 -0.0010988 -0.2181874), wk = 0.0031056 k( 192) = ( 0.2261339 -0.0011446 -0.2272785), wk = 0.0031056 k( 193) = ( 0.2351793 -0.0011904 -0.2363697), wk = 0.0031056 k( 194) = ( 0.2442246 -0.0012361 -0.2454608), wk = 0.0031056 k( 195) = ( 0.2532700 -0.0012819 -0.2545519), wk = 0.0031056 k( 196) = ( 0.2623154 -0.0013277 -0.2636431), wk = 0.0031056 k( 197) = ( 0.2713607 -0.0013735 -0.2727342), wk = 0.0031056 k( 198) = ( 0.2804061 -0.0014193 -0.2818254), wk = 0.0031056 k( 199) = ( 0.2894514 -0.0014651 -0.2909165), wk = 0.0031056 k( 200) = ( 0.2984968 -0.0015108 -0.3000077), wk = 0.0031056 k( 201) = ( 0.3075421 -0.0015566 -0.3090988), wk = 0.0031056 k( 202) = ( 0.3165875 -0.0016024 -0.3181899), wk = 0.0031056 k( 203) = ( 0.3256329 -0.0016482 -0.3272811), wk = 0.0031056 k( 204) = ( 0.3346782 -0.0016940 -0.3363722), wk = 0.0031056 k( 205) = ( 0.3437236 -0.0017398 -0.3454633), wk = 0.0031056 k( 206) = ( 0.3527689 -0.0017855 -0.3545545), wk = 0.0031056 k( 207) = ( 0.3618143 -0.0018313 -0.3636456), wk = 0.0031056 k( 208) = ( 0.3708596 -0.0018771 -0.3727368), wk = 0.0031056 k( 209) = ( 0.3799050 -0.0019229 -0.3818279), wk = 0.0031056 k( 210) = ( 0.3889504 -0.0019687 -0.3909191), wk = 0.0031056 k( 211) = ( 0.3979957 -0.0020145 -0.4000102), wk = 0.0031056 k( 212) = ( 0.4070411 -0.0020602 -0.4091013), wk = 0.0031056 k( 213) = ( 0.4160864 -0.0021060 -0.4181925), wk = 0.0031056 k( 214) = ( 0.4251318 -0.0021518 -0.4272836), wk = 0.0031056 k( 215) = ( 0.4341771 -0.0021976 -0.4363748), wk = 0.0031056 k( 216) = ( 0.4432225 -0.0022434 -0.4454659), wk = 0.0031056 k( 217) = ( 0.4522679 -0.0022892 -0.4545570), wk = 0.0031056 k( 218) = ( 0.4613132 -0.0023349 -0.4636482), wk = 0.0031056 k( 219) = ( 0.4703586 -0.0023807 -0.4727393), wk = 0.0031056 k( 220) = ( 0.4794039 -0.0024265 -0.4818305), wk = 0.0031056 k( 221) = ( 0.4884493 -0.0024723 -0.4909216), wk = 0.0031056 k( 222) = ( 0.4974946 -0.0025181 -0.5000127), wk = 0.0031056 k( 223) = ( 0.5025054 0.4949576 -0.0050361), wk = 0.0031056 k( 224) = ( 0.5000000 0.4974757 -0.0050361), wk = 0.0031056 k( 225) = ( 0.5000000 0.4974757 -0.0050361), wk = 0.0031056 k( 226) = ( 0.5000642 0.4975396 0.0076556), wk = 0.0031056 k( 227) = ( 0.5001285 0.4976035 0.0203474), wk = 0.0031056 k( 228) = ( 0.5001927 0.4976674 0.0330391), wk = 0.0031056 k( 229) = ( 0.5002570 0.4977313 0.0457308), wk = 0.0031056 k( 230) = ( 0.5003212 0.4977952 0.0584225), wk = 0.0031056 k( 231) = ( 0.5003854 0.4978591 0.0711142), wk = 0.0031056 k( 232) = ( 0.5004497 0.4979231 0.0838059), wk = 0.0031056 k( 233) = ( 0.5005139 0.4979870 0.0964976), wk = 0.0031056 k( 234) = ( 0.5005782 0.4980509 0.1091893), wk = 0.0031056 k( 235) = ( 0.5006424 0.4981148 0.1218810), wk = 0.0031056 k( 236) = ( 0.5007066 0.4981787 0.1345727), wk = 0.0031056 k( 237) = ( 0.5007709 0.4982426 0.1472644), wk = 0.0031056 k( 238) = ( 0.5008351 0.4983066 0.1599562), wk = 0.0031056 k( 239) = ( 0.5008994 0.4983705 0.1726479), wk = 0.0031056 k( 240) = ( 0.5009636 0.4984344 0.1853396), wk = 0.0031056 k( 241) = ( 0.5010278 0.4984983 0.1980313), wk = 0.0031056 k( 242) = ( 0.5010921 0.4985622 0.2107230), wk = 0.0031056 k( 243) = ( 0.5011563 0.4986261 0.2234147), wk = 0.0031056 k( 244) = ( 0.5012206 0.4986901 0.2361064), wk = 0.0031056 k( 245) = ( 0.5012848 0.4987540 0.2487981), wk = 0.0031056 k( 246) = ( 0.5013490 0.4988179 0.2614898), wk = 0.0031056 k( 247) = ( 0.5014133 0.4988818 0.2741815), wk = 0.0031056 k( 248) = ( 0.5014775 0.4989457 0.2868732), wk = 0.0031056 k( 249) = ( 0.5015418 0.4990096 0.2995650), wk = 0.0031056 k( 250) = ( 0.5016060 0.4990735 0.3122567), wk = 0.0031056 k( 251) = ( 0.5016702 0.4991375 0.3249484), wk = 0.0031056 k( 252) = ( 0.5017345 0.4992014 0.3376401), wk = 0.0031056 k( 253) = ( 0.5017987 0.4992653 0.3503318), wk = 0.0031056 k( 254) = ( 0.5018630 0.4993292 0.3630235), wk = 0.0031056 k( 255) = ( 0.5019272 0.4993931 0.3757152), wk = 0.0031056 k( 256) = ( 0.5019914 0.4994570 0.3884069), wk = 0.0031056 k( 257) = ( 0.5020557 0.4995210 0.4010986), wk = 0.0031056 k( 258) = ( 0.5021199 0.4995849 0.4137903), wk = 0.0031056 k( 259) = ( 0.5021842 0.4996488 0.4264820), wk = 0.0031056 k( 260) = ( 0.5022484 0.4997127 0.4391738), wk = 0.0031056 k( 261) = ( 0.5023126 0.4997766 0.4518655), wk = 0.0031056 k( 262) = ( 0.5023769 0.4998405 0.4645572), wk = 0.0031056 k( 263) = ( 0.5024411 0.4999045 0.4772489), wk = 0.0031056 k( 264) = ( 0.5025054 0.4999684 0.4899406), wk = 0.0031056 k( 265) = ( 0.5025054 0.4999684 0.4899406), wk = 0.0031056 k( 266) = ( 0.5000000 0.4974757 0.4949767), wk = 0.0031056 k( 267) = ( 0.5000000 -0.0025307 -0.0025180), wk = 0.0031056 k( 268) = ( 0.5000911 0.0065143 0.0064815), wk = 0.0031056 k( 269) = ( 0.5001822 0.0155593 0.0154811), wk = 0.0031056 k( 270) = ( 0.5002733 0.0246043 0.0244807), wk = 0.0031056 k( 271) = ( 0.5003644 0.0336493 0.0334803), wk = 0.0031056 k( 272) = ( 0.5004555 0.0426943 0.0424798), wk = 0.0031056 k( 273) = ( 0.5005466 0.0517393 0.0514794), wk = 0.0031056 k( 274) = ( 0.5006377 0.0607843 0.0604790), wk = 0.0031056 k( 275) = ( 0.5007288 0.0698293 0.0694786), wk = 0.0031056 k( 276) = ( 0.5008199 0.0788744 0.0784781), wk = 0.0031056 k( 277) = ( 0.5009110 0.0879194 0.0874777), wk = 0.0031056 k( 278) = ( 0.5010021 0.0969644 0.0964773), wk = 0.0031056 k( 279) = ( 0.5010933 0.1060094 0.1054769), wk = 0.0031056 k( 280) = ( 0.5011843 0.1150544 0.1144764), wk = 0.0031056 k( 281) = ( 0.5012754 0.1240994 0.1234760), wk = 0.0031056 k( 282) = ( 0.5013666 0.1331444 0.1324756), wk = 0.0031056 k( 283) = ( 0.5014577 0.1421894 0.1414752), wk = 0.0031056 k( 284) = ( 0.5015488 0.1512345 0.1504748), wk = 0.0031056 k( 285) = ( 0.5016399 0.1602795 0.1594743), wk = 0.0031056 k( 286) = ( 0.5017310 0.1693245 0.1684739), wk = 0.0031056 k( 287) = ( 0.5018221 0.1783695 0.1774735), wk = 0.0031056 k( 288) = ( 0.5019132 0.1874145 0.1864731), wk = 0.0031056 k( 289) = ( 0.5020043 0.1964595 0.1954726), wk = 0.0031056 k( 290) = ( 0.5020954 0.2055045 0.2044722), wk = 0.0031056 k( 291) = ( 0.5021865 0.2145495 0.2134718), wk = 0.0031056 k( 292) = ( 0.5022776 0.2235945 0.2224714), wk = 0.0031056 k( 293) = ( 0.5023687 0.2326396 0.2314709), wk = 0.0031056 k( 294) = ( 0.5024598 0.2416846 0.2404705), wk = 0.0031056 k( 295) = ( 0.5025509 0.2507296 0.2494701), wk = 0.0031056 k( 296) = ( 0.5026420 0.2597746 0.2584697), wk = 0.0031056 k( 297) = ( 0.5027331 0.2688196 0.2674692), wk = 0.0031056 k( 298) = ( 0.5028242 0.2778646 0.2764688), wk = 0.0031056 k( 299) = ( 0.5029153 0.2869096 0.2854684), wk = 0.0031056 k( 300) = ( 0.5030064 0.2959546 0.2944680), wk = 0.0031056 k( 301) = ( 0.5030975 0.3049997 0.3034675), wk = 0.0031056 k( 302) = ( 0.5031886 0.3140447 0.3124671), wk = 0.0031056 k( 303) = ( 0.5032797 0.3230897 0.3214667), wk = 0.0031056 k( 304) = ( 0.5033708 0.3321347 0.3304663), wk = 0.0031056 k( 305) = ( 0.5034620 0.3411797 0.3394658), wk = 0.0031056 k( 306) = ( 0.5035530 0.3502247 0.3484654), wk = 0.0031056 k( 307) = ( 0.5036441 0.3592697 0.3574650), wk = 0.0031056 k( 308) = ( 0.5037353 0.3683147 0.3664646), wk = 0.0031056 k( 309) = ( 0.5038264 0.3773598 0.3754641), wk = 0.0031056 k( 310) = ( 0.5039175 0.3864048 0.3844637), wk = 0.0031056 k( 311) = ( 0.5040086 0.3954498 0.3934633), wk = 0.0031056 k( 312) = ( 0.5040997 0.4044948 0.4024629), wk = 0.0031056 k( 313) = ( 0.5041908 0.4135398 0.4114625), wk = 0.0031056 k( 314) = ( 0.5042819 0.4225848 0.4204620), wk = 0.0031056 k( 315) = ( 0.5043730 0.4316298 0.4294616), wk = 0.0031056 k( 316) = ( 0.5044641 0.4406748 0.4384612), wk = 0.0031056 k( 317) = ( 0.5045552 0.4497198 0.4474608), wk = 0.0031056 k( 318) = ( 0.5046463 0.4587649 0.4564603), wk = 0.0031056 k( 319) = ( 0.5047374 0.4678099 0.4654599), wk = 0.0031056 k( 320) = ( 0.5048285 0.4768549 0.4744595), wk = 0.0031056 k( 321) = ( 0.5049196 0.4858999 0.4834591), wk = 0.0031056 k( 322) = ( 0.5050107 0.4949449 0.4924586), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0031056 k( 4) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0031056 k( 7) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0031056 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0031056 k( 10) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0031056 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0031056 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0031056 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0031056 k( 14) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0031056 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0031056 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0031056 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0031056 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0031056 k( 19) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0031056 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0031056 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0031056 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0031056 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0031056 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0031056 k( 25) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0031056 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0031056 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0031056 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0031056 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0031056 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0031056 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0031056 k( 32) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0031056 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0031056 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0031056 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0031056 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0031056 k( 37) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0031056 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0031056 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0031056 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031056 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031056 k( 42) = ( 0.5000000 0.0089998 -0.0089998), wk = 0.0031056 k( 43) = ( 0.5000000 0.0179996 -0.0179996), wk = 0.0031056 k( 44) = ( 0.5000000 0.0269994 -0.0269994), wk = 0.0031056 k( 45) = ( 0.5000000 0.0359992 -0.0359992), wk = 0.0031056 k( 46) = ( 0.5000000 0.0449990 -0.0449990), wk = 0.0031056 k( 47) = ( 0.5000000 0.0539988 -0.0539988), wk = 0.0031056 k( 48) = ( 0.5000000 0.0629986 -0.0629986), wk = 0.0031056 k( 49) = ( 0.5000000 0.0719984 -0.0719984), wk = 0.0031056 k( 50) = ( 0.5000000 0.0809982 -0.0809982), wk = 0.0031056 k( 51) = ( 0.5000000 0.0899980 -0.0899980), wk = 0.0031056 k( 52) = ( 0.5000000 0.0989979 -0.0989979), wk = 0.0031056 k( 53) = ( 0.5000000 0.1079977 -0.1079977), wk = 0.0031056 k( 54) = ( 0.5000000 0.1169975 -0.1169975), wk = 0.0031056 k( 55) = ( 0.5000000 0.1259973 -0.1259973), wk = 0.0031056 k( 56) = ( 0.5000000 0.1349971 -0.1349971), wk = 0.0031056 k( 57) = ( 0.5000000 0.1439969 -0.1439969), wk = 0.0031056 k( 58) = ( 0.5000000 0.1529967 -0.1529967), wk = 0.0031056 k( 59) = ( 0.5000000 0.1619965 -0.1619965), wk = 0.0031056 k( 60) = ( 0.5000000 0.1709963 -0.1709963), wk = 0.0031056 k( 61) = ( 0.5000000 0.1799961 -0.1799961), wk = 0.0031056 k( 62) = ( 0.5000000 0.1889959 -0.1889959), wk = 0.0031056 k( 63) = ( 0.5000000 0.1979957 -0.1979957), wk = 0.0031056 k( 64) = ( 0.5000000 0.2069955 -0.2069955), wk = 0.0031056 k( 65) = ( 0.5000000 0.2159953 -0.2159953), wk = 0.0031056 k( 66) = ( 0.5000000 0.2249951 -0.2249951), wk = 0.0031056 k( 67) = ( 0.5000000 0.2339949 -0.2339949), wk = 0.0031056 k( 68) = ( 0.5000000 0.2429947 -0.2429947), wk = 0.0031056 k( 69) = ( 0.5000000 0.2519945 -0.2519945), wk = 0.0031056 k( 70) = ( 0.5000000 0.2609943 -0.2609943), wk = 0.0031056 k( 71) = ( 0.5000000 0.2699942 -0.2699942), wk = 0.0031056 k( 72) = ( 0.5000000 0.2789940 -0.2789940), wk = 0.0031056 k( 73) = ( 0.5000000 0.2879938 -0.2879938), wk = 0.0031056 k( 74) = ( 0.5000000 0.2969936 -0.2969936), wk = 0.0031056 k( 75) = ( 0.5000000 0.3059934 -0.3059934), wk = 0.0031056 k( 76) = ( 0.5000000 0.3149932 -0.3149932), wk = 0.0031056 k( 77) = ( 0.5000000 0.3239930 -0.3239930), wk = 0.0031056 k( 78) = ( 0.5000000 0.3329928 -0.3329928), wk = 0.0031056 k( 79) = ( 0.5000000 0.3419926 -0.3419926), wk = 0.0031056 k( 80) = ( 0.5000000 0.3509924 -0.3509924), wk = 0.0031056 k( 81) = ( 0.5000000 0.3599922 -0.3599922), wk = 0.0031056 k( 82) = ( 0.5000000 0.3689920 -0.3689920), wk = 0.0031056 k( 83) = ( 0.5000000 0.3779918 -0.3779918), wk = 0.0031056 k( 84) = ( 0.5000000 0.3869916 -0.3869916), wk = 0.0031056 k( 85) = ( 0.5000000 0.3959914 -0.3959914), wk = 0.0031056 k( 86) = ( 0.5000000 0.4049912 -0.4049912), wk = 0.0031056 k( 87) = ( 0.5000000 0.4139910 -0.4139910), wk = 0.0031056 k( 88) = ( 0.5000000 0.4229908 -0.4229908), wk = 0.0031056 k( 89) = ( 0.5000000 0.4319906 -0.4319906), wk = 0.0031056 k( 90) = ( 0.5000000 0.4409905 -0.4409905), wk = 0.0031056 k( 91) = ( 0.5000000 0.4499903 -0.4499903), wk = 0.0031056 k( 92) = ( 0.5000000 0.4589901 -0.4589901), wk = 0.0031056 k( 93) = ( 0.5000000 0.4679899 -0.4679899), wk = 0.0031056 k( 94) = ( 0.5000000 0.4769897 -0.4769897), wk = 0.0031056 k( 95) = ( 0.5000000 0.4859895 -0.4859895), wk = 0.0031056 k( 96) = ( 0.5000000 0.4949893 -0.4949893), wk = 0.0031056 k( 97) = ( 0.5050107 0.5000000 0.4949893), wk = 0.0031056 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 100) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0031056 k( 101) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0031056 k( 102) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0031056 k( 103) = ( 0.4701493 0.4701492 0.4701493), wk = 0.0031056 k( 104) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0031056 k( 105) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0031056 k( 106) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0031056 k( 107) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0031056 k( 108) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0031056 k( 109) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0031056 k( 110) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0031056 k( 111) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0031056 k( 112) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0031056 k( 113) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0031056 k( 114) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0031056 k( 115) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0031056 k( 116) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0031056 k( 117) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0031056 k( 118) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0031056 k( 119) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0031056 k( 120) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0031056 k( 121) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0031056 k( 122) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0031056 k( 123) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0031056 k( 124) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0031056 k( 125) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0031056 k( 126) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0031056 k( 127) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0031056 k( 128) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0031056 k( 129) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0031056 k( 130) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0031056 k( 131) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0031056 k( 132) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0031056 k( 133) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0031056 k( 134) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0031056 k( 135) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0031056 k( 136) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0031056 k( 137) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0031056 k( 138) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0031056 k( 139) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0031056 k( 140) = ( 0.1940299 0.1940298 0.1940299), wk = 0.0031056 k( 141) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0031056 k( 142) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0031056 k( 143) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0031056 k( 144) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0031056 k( 145) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0031056 k( 146) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0031056 k( 147) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0031056 k( 148) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0031056 k( 149) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0031056 k( 150) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0031056 k( 151) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0031056 k( 152) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0031056 k( 153) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0031056 k( 154) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0031056 k( 155) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0031056 k( 156) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0031056 k( 157) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0031056 k( 158) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0031056 k( 159) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0031056 k( 160) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0031056 k( 161) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0031056 k( 162) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0031056 k( 163) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0031056 k( 164) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0031056 k( 165) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0031056 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 168) = ( 0.0090454 -0.0000000 -0.0090454), wk = 0.0031056 k( 169) = ( 0.0180907 0.0000000 -0.0180907), wk = 0.0031056 k( 170) = ( 0.0271361 0.0000000 -0.0271361), wk = 0.0031056 k( 171) = ( 0.0361814 0.0000000 -0.0361814), wk = 0.0031056 k( 172) = ( 0.0452268 0.0000000 -0.0452268), wk = 0.0031056 k( 173) = ( 0.0542721 0.0000000 -0.0542721), wk = 0.0031056 k( 174) = ( 0.0633175 0.0000000 -0.0633175), wk = 0.0031056 k( 175) = ( 0.0723629 0.0000000 -0.0723629), wk = 0.0031056 k( 176) = ( 0.0814082 0.0000000 -0.0814082), wk = 0.0031056 k( 177) = ( 0.0904536 0.0000000 -0.0904536), wk = 0.0031056 k( 178) = ( 0.0994989 0.0000000 -0.0994989), wk = 0.0031056 k( 179) = ( 0.1085443 0.0000000 -0.1085443), wk = 0.0031056 k( 180) = ( 0.1175896 0.0000000 -0.1175896), wk = 0.0031056 k( 181) = ( 0.1266350 0.0000000 -0.1266350), wk = 0.0031056 k( 182) = ( 0.1356804 0.0000000 -0.1356804), wk = 0.0031056 k( 183) = ( 0.1447257 0.0000000 -0.1447257), wk = 0.0031056 k( 184) = ( 0.1537711 0.0000000 -0.1537711), wk = 0.0031056 k( 185) = ( 0.1628164 0.0000000 -0.1628164), wk = 0.0031056 k( 186) = ( 0.1718618 0.0000000 -0.1718618), wk = 0.0031056 k( 187) = ( 0.1809071 0.0000000 -0.1809071), wk = 0.0031056 k( 188) = ( 0.1899525 0.0000000 -0.1899525), wk = 0.0031056 k( 189) = ( 0.1989979 0.0000000 -0.1989979), wk = 0.0031056 k( 190) = ( 0.2080432 0.0000000 -0.2080432), wk = 0.0031056 k( 191) = ( 0.2170886 0.0000000 -0.2170886), wk = 0.0031056 k( 192) = ( 0.2261339 0.0000000 -0.2261339), wk = 0.0031056 k( 193) = ( 0.2351793 0.0000000 -0.2351793), wk = 0.0031056 k( 194) = ( 0.2442246 0.0000000 -0.2442246), wk = 0.0031056 k( 195) = ( 0.2532700 0.0000000 -0.2532700), wk = 0.0031056 k( 196) = ( 0.2623154 0.0000000 -0.2623154), wk = 0.0031056 k( 197) = ( 0.2713607 0.0000000 -0.2713607), wk = 0.0031056 k( 198) = ( 0.2804061 0.0000000 -0.2804061), wk = 0.0031056 k( 199) = ( 0.2894514 0.0000000 -0.2894514), wk = 0.0031056 k( 200) = ( 0.2984968 0.0000000 -0.2984968), wk = 0.0031056 k( 201) = ( 0.3075421 0.0000000 -0.3075421), wk = 0.0031056 k( 202) = ( 0.3165875 0.0000000 -0.3165875), wk = 0.0031056 k( 203) = ( 0.3256329 0.0000000 -0.3256329), wk = 0.0031056 k( 204) = ( 0.3346782 0.0000000 -0.3346782), wk = 0.0031056 k( 205) = ( 0.3437236 0.0000000 -0.3437236), wk = 0.0031056 k( 206) = ( 0.3527689 0.0000000 -0.3527689), wk = 0.0031056 k( 207) = ( 0.3618143 -0.0000000 -0.3618143), wk = 0.0031056 k( 208) = ( 0.3708596 0.0000000 -0.3708596), wk = 0.0031056 k( 209) = ( 0.3799050 0.0000000 -0.3799050), wk = 0.0031056 k( 210) = ( 0.3889504 0.0000000 -0.3889504), wk = 0.0031056 k( 211) = ( 0.3979957 0.0000000 -0.3979957), wk = 0.0031056 k( 212) = ( 0.4070411 0.0000000 -0.4070411), wk = 0.0031056 k( 213) = ( 0.4160864 0.0000000 -0.4160864), wk = 0.0031056 k( 214) = ( 0.4251318 -0.0000000 -0.4251318), wk = 0.0031056 k( 215) = ( 0.4341771 0.0000000 -0.4341771), wk = 0.0031056 k( 216) = ( 0.4432225 0.0000000 -0.4432225), wk = 0.0031056 k( 217) = ( 0.4522679 0.0000000 -0.4522679), wk = 0.0031056 k( 218) = ( 0.4613132 0.0000000 -0.4613132), wk = 0.0031056 k( 219) = ( 0.4703586 0.0000000 -0.4703586), wk = 0.0031056 k( 220) = ( 0.4794039 0.0000000 -0.4794039), wk = 0.0031056 k( 221) = ( 0.4884493 0.0000000 -0.4884493), wk = 0.0031056 k( 222) = ( 0.4974946 0.0000000 -0.4974946), wk = 0.0031056 k( 223) = ( 0.5025054 0.4974946 -0.0000000), wk = 0.0031056 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 225) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 226) = ( 0.5000642 0.5000642 0.0126920), wk = 0.0031056 k( 227) = ( 0.5001285 0.5001285 0.0253841), wk = 0.0031056 k( 228) = ( 0.5001927 0.5001927 0.0380761), wk = 0.0031056 k( 229) = ( 0.5002570 0.5002570 0.0507681), wk = 0.0031056 k( 230) = ( 0.5003212 0.5003212 0.0634602), wk = 0.0031056 k( 231) = ( 0.5003854 0.5003854 0.0761522), wk = 0.0031056 k( 232) = ( 0.5004497 0.5004497 0.0888442), wk = 0.0031056 k( 233) = ( 0.5005139 0.5005139 0.1015363), wk = 0.0031056 k( 234) = ( 0.5005782 0.5005782 0.1142283), wk = 0.0031056 k( 235) = ( 0.5006424 0.5006424 0.1269203), wk = 0.0031056 k( 236) = ( 0.5007066 0.5007066 0.1396124), wk = 0.0031056 k( 237) = ( 0.5007709 0.5007709 0.1523044), wk = 0.0031056 k( 238) = ( 0.5008351 0.5008351 0.1649964), wk = 0.0031056 k( 239) = ( 0.5008994 0.5008994 0.1776885), wk = 0.0031056 k( 240) = ( 0.5009636 0.5009636 0.1903805), wk = 0.0031056 k( 241) = ( 0.5010278 0.5010278 0.2030725), wk = 0.0031056 k( 242) = ( 0.5010921 0.5010921 0.2157646), wk = 0.0031056 k( 243) = ( 0.5011563 0.5011563 0.2284566), wk = 0.0031056 k( 244) = ( 0.5012206 0.5012206 0.2411486), wk = 0.0031056 k( 245) = ( 0.5012848 0.5012848 0.2538407), wk = 0.0031056 k( 246) = ( 0.5013490 0.5013490 0.2665327), wk = 0.0031056 k( 247) = ( 0.5014133 0.5014133 0.2792247), wk = 0.0031056 k( 248) = ( 0.5014775 0.5014775 0.2919168), wk = 0.0031056 k( 249) = ( 0.5015418 0.5015418 0.3046088), wk = 0.0031056 k( 250) = ( 0.5016060 0.5016060 0.3173008), wk = 0.0031056 k( 251) = ( 0.5016702 0.5016702 0.3299929), wk = 0.0031056 k( 252) = ( 0.5017345 0.5017345 0.3426849), wk = 0.0031056 k( 253) = ( 0.5017987 0.5017987 0.3553769), wk = 0.0031056 k( 254) = ( 0.5018630 0.5018630 0.3680690), wk = 0.0031056 k( 255) = ( 0.5019272 0.5019272 0.3807610), wk = 0.0031056 k( 256) = ( 0.5019914 0.5019914 0.3934530), wk = 0.0031056 k( 257) = ( 0.5020557 0.5020557 0.4061451), wk = 0.0031056 k( 258) = ( 0.5021199 0.5021199 0.4188371), wk = 0.0031056 k( 259) = ( 0.5021842 0.5021842 0.4315291), wk = 0.0031056 k( 260) = ( 0.5022484 0.5022484 0.4442212), wk = 0.0031056 k( 261) = ( 0.5023126 0.5023126 0.4569132), wk = 0.0031056 k( 262) = ( 0.5023769 0.5023769 0.4696052), wk = 0.0031056 k( 263) = ( 0.5024411 0.5024411 0.4822973), wk = 0.0031056 k( 264) = ( 0.5025054 0.5025054 0.4949893), wk = 0.0031056 k( 265) = ( 0.5025054 0.5025054 0.4949893), wk = 0.0031056 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 267) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031056 k( 268) = ( 0.5000911 0.0090454 0.0090454), wk = 0.0031056 k( 269) = ( 0.5001822 0.0180907 0.0180907), wk = 0.0031056 k( 270) = ( 0.5002733 0.0271361 0.0271361), wk = 0.0031056 k( 271) = ( 0.5003644 0.0361814 0.0361814), wk = 0.0031056 k( 272) = ( 0.5004555 0.0452268 0.0452268), wk = 0.0031056 k( 273) = ( 0.5005466 0.0542721 0.0542721), wk = 0.0031056 k( 274) = ( 0.5006377 0.0633175 0.0633175), wk = 0.0031056 k( 275) = ( 0.5007288 0.0723629 0.0723629), wk = 0.0031056 k( 276) = ( 0.5008199 0.0814082 0.0814082), wk = 0.0031056 k( 277) = ( 0.5009110 0.0904536 0.0904536), wk = 0.0031056 k( 278) = ( 0.5010021 0.0994989 0.0994989), wk = 0.0031056 k( 279) = ( 0.5010933 0.1085443 0.1085443), wk = 0.0031056 k( 280) = ( 0.5011843 0.1175896 0.1175896), wk = 0.0031056 k( 281) = ( 0.5012754 0.1266350 0.1266350), wk = 0.0031056 k( 282) = ( 0.5013666 0.1356804 0.1356804), wk = 0.0031056 k( 283) = ( 0.5014577 0.1447257 0.1447257), wk = 0.0031056 k( 284) = ( 0.5015488 0.1537711 0.1537711), wk = 0.0031056 k( 285) = ( 0.5016399 0.1628164 0.1628164), wk = 0.0031056 k( 286) = ( 0.5017310 0.1718618 0.1718618), wk = 0.0031056 k( 287) = ( 0.5018221 0.1809071 0.1809071), wk = 0.0031056 k( 288) = ( 0.5019132 0.1899525 0.1899525), wk = 0.0031056 k( 289) = ( 0.5020043 0.1989979 0.1989979), wk = 0.0031056 k( 290) = ( 0.5020954 0.2080432 0.2080432), wk = 0.0031056 k( 291) = ( 0.5021865 0.2170886 0.2170886), wk = 0.0031056 k( 292) = ( 0.5022776 0.2261339 0.2261339), wk = 0.0031056 k( 293) = ( 0.5023687 0.2351793 0.2351793), wk = 0.0031056 k( 294) = ( 0.5024598 0.2442246 0.2442246), wk = 0.0031056 k( 295) = ( 0.5025509 0.2532700 0.2532700), wk = 0.0031056 k( 296) = ( 0.5026420 0.2623154 0.2623154), wk = 0.0031056 k( 297) = ( 0.5027331 0.2713607 0.2713607), wk = 0.0031056 k( 298) = ( 0.5028242 0.2804061 0.2804061), wk = 0.0031056 k( 299) = ( 0.5029153 0.2894514 0.2894514), wk = 0.0031056 k( 300) = ( 0.5030064 0.2984968 0.2984968), wk = 0.0031056 k( 301) = ( 0.5030975 0.3075421 0.3075421), wk = 0.0031056 k( 302) = ( 0.5031886 0.3165875 0.3165875), wk = 0.0031056 k( 303) = ( 0.5032797 0.3256329 0.3256329), wk = 0.0031056 k( 304) = ( 0.5033708 0.3346782 0.3346782), wk = 0.0031056 k( 305) = ( 0.5034620 0.3437236 0.3437236), wk = 0.0031056 k( 306) = ( 0.5035530 0.3527689 0.3527689), wk = 0.0031056 k( 307) = ( 0.5036441 0.3618143 0.3618143), wk = 0.0031056 k( 308) = ( 0.5037353 0.3708596 0.3708596), wk = 0.0031056 k( 309) = ( 0.5038264 0.3799050 0.3799050), wk = 0.0031056 k( 310) = ( 0.5039175 0.3889504 0.3889504), wk = 0.0031056 k( 311) = ( 0.5040086 0.3979957 0.3979957), wk = 0.0031056 k( 312) = ( 0.5040997 0.4070411 0.4070411), wk = 0.0031056 k( 313) = ( 0.5041908 0.4160864 0.4160864), wk = 0.0031056 k( 314) = ( 0.5042819 0.4251318 0.4251318), wk = 0.0031056 k( 315) = ( 0.5043730 0.4341771 0.4341771), wk = 0.0031056 k( 316) = ( 0.5044641 0.4432225 0.4432225), wk = 0.0031056 k( 317) = ( 0.5045552 0.4522679 0.4522679), wk = 0.0031056 k( 318) = ( 0.5046463 0.4613132 0.4613132), wk = 0.0031056 k( 319) = ( 0.5047374 0.4703586 0.4703586), wk = 0.0031056 k( 320) = ( 0.5048285 0.4794039 0.4794039), wk = 0.0031056 k( 321) = ( 0.5049196 0.4884493 0.4884493), wk = 0.0031056 k( 322) = ( 0.5050107 0.4974946 0.4974946), wk = 0.0031056 Dense grid: 106445 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23073 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 128, 48) NL pseudopotentials 0.11 Mb ( 64, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2215) G-vector shells 0.01 Mb ( 1879) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 128, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.7 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.0 secs Computing kpt #: 4 total cpu time spent up to now is 54.1 secs Computing kpt #: 5 total cpu time spent up to now is 56.2 secs Computing kpt #: 6 total cpu time spent up to now is 59.3 secs Computing kpt #: 7 total cpu time spent up to now is 61.1 secs Computing kpt #: 8 total cpu time spent up to now is 63.0 secs Computing kpt #: 9 total cpu time spent up to now is 65.2 secs Computing kpt #: 10 total cpu time spent up to now is 66.7 secs Computing kpt #: 11 total cpu time spent up to now is 68.3 secs Computing kpt #: 12 total cpu time spent up to now is 70.0 secs Computing kpt #: 13 total cpu time spent up to now is 71.3 secs Computing kpt #: 14 total cpu time spent up to now is 72.7 secs Computing kpt #: 15 total cpu time spent up to now is 74.3 secs Computing kpt #: 16 total cpu time spent up to now is 75.6 secs Computing kpt #: 17 total cpu time spent up to now is 77.2 secs Computing kpt #: 18 total cpu time spent up to now is 78.5 secs Computing kpt #: 19 total cpu time spent up to now is 79.8 secs Computing kpt #: 20 total cpu time spent up to now is 81.4 secs Computing kpt #: 21 total cpu time spent up to now is 82.7 secs Computing kpt #: 22 total cpu time spent up to now is 83.9 secs Computing kpt #: 23 total cpu time spent up to now is 85.2 secs Computing kpt #: 24 total cpu time spent up to now is 86.5 secs Computing kpt #: 25 total cpu time spent up to now is 87.7 secs Computing kpt #: 26 total cpu time spent up to now is 89.4 secs Computing kpt #: 27 total cpu time spent up to now is 91.3 secs Computing kpt #: 28 total cpu time spent up to now is 93.3 secs Computing kpt #: 29 total cpu time spent up to now is 94.9 secs Computing kpt #: 30 total cpu time spent up to now is 96.3 secs Computing kpt #: 31 total cpu time spent up to now is 97.7 secs Computing kpt #: 32 total cpu time spent up to now is 98.9 secs Computing kpt #: 33 total cpu time spent up to now is 100.1 secs Computing kpt #: 34 total cpu time spent up to now is 101.3 secs Computing kpt #: 35 total cpu time spent up to now is 102.7 secs Computing kpt #: 36 total cpu time spent up to now is 104.0 secs Computing kpt #: 37 total cpu time spent up to now is 105.2 secs Computing kpt #: 38 total cpu time spent up to now is 106.4 secs Computing kpt #: 39 total cpu time spent up to now is 107.6 secs Computing kpt #: 40 total cpu time spent up to now is 108.8 secs Computing kpt #: 41 total cpu time spent up to now is 110.2 secs Computing kpt #: 42 total cpu time spent up to now is 111.5 secs Computing kpt #: 43 total cpu time spent up to now is 112.9 secs Computing kpt #: 44 total cpu time spent up to now is 114.3 secs Computing kpt #: 45 total cpu time spent up to now is 115.7 secs Computing kpt #: 46 total cpu time spent up to now is 117.0 secs Computing kpt #: 47 total cpu time spent up to now is 118.4 secs Computing kpt #: 48 total cpu time spent up to now is 119.6 secs Computing kpt #: 49 total cpu time spent up to now is 120.9 secs Computing kpt #: 50 total cpu time spent up to now is 122.2 secs Computing kpt #: 51 total cpu time spent up to now is 123.7 secs Computing kpt #: 52 total cpu time spent up to now is 124.9 secs Computing kpt #: 53 total cpu time spent up to now is 126.1 secs Computing kpt #: 54 total cpu time spent up to now is 127.4 secs Computing kpt #: 55 total cpu time spent up to now is 128.6 secs Computing kpt #: 56 total cpu time spent up to now is 129.8 secs Computing kpt #: 57 total cpu time spent up to now is 131.1 secs Computing kpt #: 58 total cpu time spent up to now is 132.3 secs Computing kpt #: 59 total cpu time spent up to now is 133.6 secs Computing kpt #: 60 total cpu time spent up to now is 134.8 secs Computing kpt #: 61 total cpu time spent up to now is 136.1 secs Computing kpt #: 62 total cpu time spent up to now is 137.3 secs Computing kpt #: 63 total cpu time spent up to now is 138.7 secs Computing kpt #: 64 total cpu time spent up to now is 140.3 secs Computing kpt #: 65 total cpu time spent up to now is 141.9 secs Computing kpt #: 66 total cpu time spent up to now is 143.5 secs Computing kpt #: 67 total cpu time spent up to now is 144.8 secs Computing kpt #: 68 total cpu time spent up to now is 146.4 secs Computing kpt #: 69 total cpu time spent up to now is 147.8 secs Computing kpt #: 70 total cpu time spent up to now is 149.1 secs Computing kpt #: 71 total cpu time spent up to now is 150.8 secs Computing kpt #: 72 total cpu time spent up to now is 152.7 secs Computing kpt #: 73 total cpu time spent up to now is 154.5 secs Computing kpt #: 74 total cpu time spent up to now is 156.2 secs Computing kpt #: 75 total cpu time spent up to now is 157.6 secs Computing kpt #: 76 total cpu time spent up to now is 159.4 secs Computing kpt #: 77 total cpu time spent up to now is 161.5 secs Computing kpt #: 78 total cpu time spent up to now is 163.7 secs Computing kpt #: 79 total cpu time spent up to now is 165.6 secs Computing kpt #: 80 total cpu time spent up to now is 167.8 secs Computing kpt #: 81 total cpu time spent up to now is 170.3 secs Computing kpt #: 82 total cpu time spent up to now is 172.4 secs Computing kpt #: 83 total cpu time spent up to now is 174.4 secs Computing kpt #: 84 total cpu time spent up to now is 176.9 secs Computing kpt #: 85 total cpu time spent up to now is 179.2 secs Computing kpt #: 86 total cpu time spent up to now is 181.7 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.9 secs Computing kpt #: 88 total cpu time spent up to now is 187.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.0 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.2 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.4 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.9 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.4 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.9 secs Computing kpt #: 116 total cpu time spent up to now is 276.0 secs Computing kpt #: 117 total cpu time spent up to now is 278.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.4 secs Computing kpt #: 119 total cpu time spent up to now is 283.5 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.0 secs Computing kpt #: 122 total cpu time spent up to now is 292.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.3 secs Computing kpt #: 124 total cpu time spent up to now is 297.3 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.4 secs Computing kpt #: 126 total cpu time spent up to now is 302.3 secs Computing kpt #: 127 total cpu time spent up to now is 304.9 secs Computing kpt #: 128 total cpu time spent up to now is 307.0 secs Computing kpt #: 129 total cpu time spent up to now is 309.0 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.2 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.3 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.4 secs Computing kpt #: 133 total cpu time spent up to now is 320.1 secs Computing kpt #: 134 total cpu time spent up to now is 321.6 secs Computing kpt #: 135 total cpu time spent up to now is 324.3 secs Computing kpt #: 136 total cpu time spent up to now is 325.9 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.1 secs Computing kpt #: 138 total cpu time spent up to now is 330.6 secs Computing kpt #: 139 total cpu time spent up to now is 332.3 secs Computing kpt #: 140 total cpu time spent up to now is 333.8 secs Computing kpt #: 141 total cpu time spent up to now is 335.5 secs Computing kpt #: 142 total cpu time spent up to now is 336.9 secs Computing kpt #: 143 total cpu time spent up to now is 338.7 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.2 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.4 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 351.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.9 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.9 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.3 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.7 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.5 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.7 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.9 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.4 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.7 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.7 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.9 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.1 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.4 secs Computing kpt #: 170 total cpu time spent up to now is 427.2 secs Computing kpt #: 171 total cpu time spent up to now is 430.0 secs Computing kpt #: 172 total cpu time spent up to now is 432.0 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.4 secs Computing kpt #: 174 total cpu time spent up to now is 437.2 secs Computing kpt #: 175 total cpu time spent up to now is 439.0 secs Computing kpt #: 176 total cpu time spent up to now is 440.8 secs Computing kpt #: 177 total cpu time spent up to now is 442.4 secs Computing kpt #: 178 total cpu time spent up to now is 443.8 secs Computing kpt #: 179 total cpu time spent up to now is 445.5 secs Computing kpt #: 180 total cpu time spent up to now is 446.9 secs Computing kpt #: 181 total cpu time spent up to now is 448.5 secs Computing kpt #: 182 total cpu time spent up to now is 449.9 secs Computing kpt #: 183 total cpu time spent up to now is 451.3 secs Computing kpt #: 184 total cpu time spent up to now is 452.9 secs Computing kpt #: 185 total cpu time spent up to now is 454.2 secs Computing kpt #: 186 total cpu time spent up to now is 455.5 secs Computing kpt #: 187 total cpu time spent up to now is 456.8 secs Computing kpt #: 188 total cpu time spent up to now is 458.1 secs Computing kpt #: 189 total cpu time spent up to now is 459.3 secs Computing kpt #: 190 total cpu time spent up to now is 460.6 secs Computing kpt #: 191 total cpu time spent up to now is 461.9 secs Computing kpt #: 192 total cpu time spent up to now is 463.1 secs Computing kpt #: 193 total cpu time spent up to now is 464.4 secs Computing kpt #: 194 total cpu time spent up to now is 465.7 secs Computing kpt #: 195 total cpu time spent up to now is 466.9 secs Computing kpt #: 196 total cpu time spent up to now is 468.2 secs Computing kpt #: 197 total cpu time spent up to now is 469.6 secs Computing kpt #: 198 total cpu time spent up to now is 470.8 secs Computing kpt #: 199 total cpu time spent up to now is 472.1 secs Computing kpt #: 200 total cpu time spent up to now is 473.4 secs Computing kpt #: 201 total cpu time spent up to now is 474.6 secs Computing kpt #: 202 total cpu time spent up to now is 475.9 secs Computing kpt #: 203 total cpu time spent up to now is 477.1 secs Computing kpt #: 204 total cpu time spent up to now is 478.3 secs Computing kpt #: 205 total cpu time spent up to now is 479.5 secs Computing kpt #: 206 total cpu time spent up to now is 480.7 secs Computing kpt #: 207 total cpu time spent up to now is 481.9 secs Computing kpt #: 208 total cpu time spent up to now is 483.3 secs Computing kpt #: 209 total cpu time spent up to now is 484.4 secs Computing kpt #: 210 total cpu time spent up to now is 485.6 secs Computing kpt #: 211 total cpu time spent up to now is 486.8 secs Computing kpt #: 212 total cpu time spent up to now is 488.0 secs Computing kpt #: 213 total cpu time spent up to now is 489.2 secs Computing kpt #: 214 total cpu time spent up to now is 490.6 secs Computing kpt #: 215 total cpu time spent up to now is 491.8 secs Computing kpt #: 216 total cpu time spent up to now is 492.9 secs Computing kpt #: 217 total cpu time spent up to now is 494.0 secs Computing kpt #: 218 total cpu time spent up to now is 495.0 secs Computing kpt #: 219 total cpu time spent up to now is 496.2 secs Computing kpt #: 220 total cpu time spent up to now is 497.3 secs Computing kpt #: 221 total cpu time spent up to now is 498.4 secs Computing kpt #: 222 total cpu time spent up to now is 499.4 secs Computing kpt #: 223 total cpu time spent up to now is 500.6 secs Computing kpt #: 224 total cpu time spent up to now is 501.6 secs Computing kpt #: 225 total cpu time spent up to now is 502.7 secs Computing kpt #: 226 total cpu time spent up to now is 503.6 secs Computing kpt #: 227 total cpu time spent up to now is 504.8 secs Computing kpt #: 228 total cpu time spent up to now is 505.9 secs Computing kpt #: 229 total cpu time spent up to now is 507.1 secs Computing kpt #: 230 total cpu time spent up to now is 508.2 secs Computing kpt #: 231 total cpu time spent up to now is 509.3 secs Computing kpt #: 232 total cpu time spent up to now is 510.6 secs Computing kpt #: 233 total cpu time spent up to now is 511.8 secs Computing kpt #: 234 total cpu time spent up to now is 513.2 secs Computing kpt #: 235 total cpu time spent up to now is 514.5 secs Computing kpt #: 236 total cpu time spent up to now is 515.8 secs Computing kpt #: 237 total cpu time spent up to now is 517.2 secs Computing kpt #: 238 total cpu time spent up to now is 518.7 secs Computing kpt #: 239 total cpu time spent up to now is 520.0 secs Computing kpt #: 240 total cpu time spent up to now is 521.3 secs Computing kpt #: 241 total cpu time spent up to now is 522.9 secs Computing kpt #: 242 total cpu time spent up to now is 524.5 secs Computing kpt #: 243 total cpu time spent up to now is 525.9 secs Computing kpt #: 244 total cpu time spent up to now is 527.4 secs Computing kpt #: 245 total cpu time spent up to now is 529.2 secs Computing kpt #: 246 total cpu time spent up to now is 530.6 secs Computing kpt #: 247 total cpu time spent up to now is 532.4 secs Computing kpt #: 248 total cpu time spent up to now is 534.0 secs Computing kpt #: 249 total cpu time spent up to now is 536.1 secs Computing kpt #: 250 total cpu time spent up to now is 537.9 secs Computing kpt #: 251 total cpu time spent up to now is 539.8 secs Computing kpt #: 252 total cpu time spent up to now is 541.4 secs Computing kpt #: 253 total cpu time spent up to now is 543.5 secs Computing kpt #: 254 total cpu time spent up to now is 545.5 secs Computing kpt #: 255 total cpu time spent up to now is 547.9 secs Computing kpt #: 256 total cpu time spent up to now is 550.3 secs Computing kpt #: 257 total cpu time spent up to now is 553.1 secs Computing kpt #: 258 total cpu time spent up to now is 555.4 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 558.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.7 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 565.0 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.2 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.3 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.4 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.6 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.6 secs Computing kpt #: 267 total cpu time spent up to now is 581.8 secs Computing kpt #: 268 total cpu time spent up to now is 583.0 secs Computing kpt #: 269 total cpu time spent up to now is 584.4 secs Computing kpt #: 270 total cpu time spent up to now is 585.6 secs Computing kpt #: 271 total cpu time spent up to now is 586.8 secs Computing kpt #: 272 total cpu time spent up to now is 588.0 secs Computing kpt #: 273 total cpu time spent up to now is 589.2 secs Computing kpt #: 274 total cpu time spent up to now is 590.5 secs Computing kpt #: 275 total cpu time spent up to now is 591.7 secs Computing kpt #: 276 total cpu time spent up to now is 592.9 secs Computing kpt #: 277 total cpu time spent up to now is 594.4 secs Computing kpt #: 278 total cpu time spent up to now is 595.6 secs Computing kpt #: 279 total cpu time spent up to now is 597.0 secs Computing kpt #: 280 total cpu time spent up to now is 598.2 secs Computing kpt #: 281 total cpu time spent up to now is 599.4 secs Computing kpt #: 282 total cpu time spent up to now is 600.7 secs Computing kpt #: 283 total cpu time spent up to now is 602.0 secs Computing kpt #: 284 total cpu time spent up to now is 603.1 secs Computing kpt #: 285 total cpu time spent up to now is 604.3 secs Computing kpt #: 286 total cpu time spent up to now is 605.5 secs Computing kpt #: 287 total cpu time spent up to now is 606.7 secs Computing kpt #: 288 total cpu time spent up to now is 608.0 secs Computing kpt #: 289 total cpu time spent up to now is 609.2 secs Computing kpt #: 290 total cpu time spent up to now is 610.6 secs Computing kpt #: 291 total cpu time spent up to now is 611.8 secs Computing kpt #: 292 total cpu time spent up to now is 613.1 secs Computing kpt #: 293 total cpu time spent up to now is 614.8 secs Computing kpt #: 294 total cpu time spent up to now is 616.0 secs Computing kpt #: 295 total cpu time spent up to now is 617.3 secs Computing kpt #: 296 total cpu time spent up to now is 618.7 secs Computing kpt #: 297 total cpu time spent up to now is 620.0 secs Computing kpt #: 298 total cpu time spent up to now is 621.3 secs Computing kpt #: 299 total cpu time spent up to now is 622.8 secs Computing kpt #: 300 total cpu time spent up to now is 624.4 secs Computing kpt #: 301 total cpu time spent up to now is 625.8 secs Computing kpt #: 302 total cpu time spent up to now is 627.5 secs Computing kpt #: 303 total cpu time spent up to now is 629.0 secs Computing kpt #: 304 total cpu time spent up to now is 630.8 secs Computing kpt #: 305 total cpu time spent up to now is 632.7 secs Computing kpt #: 306 total cpu time spent up to now is 634.3 secs Computing kpt #: 307 total cpu time spent up to now is 636.4 secs Computing kpt #: 308 total cpu time spent up to now is 639.0 secs Computing kpt #: 309 total cpu time spent up to now is 641.4 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.6 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 647.8 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.0 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.2 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 657.6 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.8 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.0 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.1 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.3 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.5 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.7 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.0 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.1 secs ethr = 2.50E-11, avg # of iterations = 59.1 total cpu time spent up to now is 683.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -46.7369 -46.7369 -23.4402 -23.4402 -22.7847 -22.7847 -22.7840 -22.7840 -15.2660 -15.2660 -7.0921 -7.0921 -6.4296 -6.4296 -6.4259 -6.4259 -1.8065 -1.8065 0.1383 0.1383 0.1399 0.1399 7.2865 7.2865 7.4650 7.4650 7.4700 7.4700 8.2592 8.2592 8.2680 8.2680 8.5963 8.5963 8.9080 8.9080 9.0595 9.0595 9.1151 9.1151 12.0936 12.0936 12.1042 12.1042 12.2686 12.2686 13.9852 13.9855 k = 0.0128-0.0001-0.0001 ( 2919 PWs) bands (ev): -46.7369 -46.7369 -23.4403 -23.4402 -22.7847 -22.7846 -22.7841 -22.7841 -15.2658 -15.2658 -7.0922 -7.0919 -6.4297 -6.4293 -6.4258 -6.4258 -1.8062 -1.8062 0.1386 0.1386 0.1400 0.1405 7.2833 7.2878 7.4609 7.4652 7.4695 7.4696 8.2573 8.2575 8.2654 8.2672 8.5947 8.5959 8.8932 8.9169 9.0478 9.0697 9.1157 9.1161 12.0939 12.0947 12.1043 12.1065 12.2683 12.2700 13.9858 13.9860 k = 0.0256-0.0001-0.0001 ( 2919 PWs) bands (ev): -46.7369 -46.7369 -23.4404 -23.4402 -22.7849 -22.7847 -22.7841 -22.7841 -15.2654 -15.2654 -7.0923 -7.0916 -6.4299 -6.4291 -6.4257 -6.4257 -1.8053 -1.8053 0.1394 0.1396 0.1408 0.1419 7.2780 7.2870 7.4529 7.4613 7.4684 7.4684 8.2520 8.2523 8.2593 8.2629 8.5911 8.5933 8.8740 8.9182 9.0371 9.0757 9.1168 9.1196 12.0934 12.0970 12.1092 12.1114 12.2691 12.2725 13.9858 13.9862 k = 0.0385-0.0002-0.0002 ( 2923 PWs) bands (ev): -46.7369 -46.7369 -23.4405 -23.4403 -22.7851 -22.7848 -22.7842 -22.7842 -15.2647 -15.2647 -7.0924 -7.0914 -6.4301 -6.4288 -6.4256 -6.4256 -1.8039 -1.8038 0.1407 0.1410 0.1424 0.1441 7.2703 7.2839 7.4411 7.4536 7.4665 7.4667 8.2434 8.2436 8.2499 8.2552 8.5855 8.5887 8.8515 8.9107 9.0292 9.0770 9.1178 9.1252 12.0916 12.0989 12.1196 12.1207 12.2712 12.2761 13.9856 13.9863 k = 0.0513-0.0003-0.0003 ( 2919 PWs) bands (ev): -46.7369 -46.7369 -23.4407 -23.4404 -22.7854 -22.7850 -22.7842 -22.7842 -15.2637 -15.2637 -7.0925 -7.0911 -6.4302 -6.4285 -6.4254 -6.4253 -1.8018 -1.8018 0.1424 0.1428 0.1450 0.1472 7.2599 7.2781 7.4262 7.4428 7.4638 7.4642 8.2315 8.2315 8.2376 8.2443 8.5779 8.5820 8.8265 8.8951 9.0239 9.0747 9.1182 9.1312 12.0895 12.1000 12.1347 12.1349 12.2748 12.2809 13.9855 13.9864 k = 0.0641-0.0003-0.0003 ( 2911 PWs) bands (ev): -46.7369 -46.7369 -23.4408 -23.4405 -22.7858 -22.7853 -22.7842 -22.7842 -15.2625 -15.2624 -7.0926 -7.0909 -6.4302 -6.4281 -6.4250 -6.4249 -1.7992 -1.7992 0.1446 0.1450 0.1485 0.1512 7.2461 7.2688 7.4091 7.4296 7.4604 7.4610 8.2163 8.2165 8.2226 8.2304 8.5683 8.5731 8.7998 8.8733 9.0198 9.0699 9.1176 9.1356 12.0878 12.1008 12.1535 12.1540 12.2801 12.2871 13.9852 13.9864 k = 0.0769-0.0004-0.0004 ( 2905 PWs) bands (ev): -46.7369 -46.7369 -23.4411 -23.4407 -22.7862 -22.7857 -22.7842 -22.7841 -15.2609 -15.2609 -7.0928 -7.0909 -6.4301 -6.4275 -6.4245 -6.4244 -1.7961 -1.7960 0.1472 0.1475 0.1528 0.1559 7.2284 7.2547 7.3912 7.4149 7.4562 7.4570 8.1980 8.1985 8.2054 8.2138 8.5566 8.5622 8.7716 8.8473 9.0155 9.0635 9.1154 9.1374 12.0870 12.1019 12.1764 12.1772 12.2873 12.2949 13.9850 13.9864 k = 0.0897-0.0005-0.0005 ( 2901 PWs) bands (ev): -46.7369 -46.7369 -23.4413 -23.4408 -22.7868 -22.7862 -22.7841 -22.7841 -15.2592 -15.2591 -7.0932 -7.0910 -6.4298 -6.4269 -6.4238 -6.4237 -1.7925 -1.7923 0.1502 0.1505 0.1579 0.1614 7.2060 7.2346 7.3740 7.3996 7.4511 7.4521 8.1771 8.1779 8.1863 8.1948 8.5431 8.5491 8.7424 8.8183 9.0101 9.0558 9.1113 9.1361 12.0874 12.1036 12.2030 12.2040 12.2965 12.3046 13.9847 13.9863 k = 0.1026-0.0005-0.0005 ( 2899 PWs) bands (ev): -46.7368 -46.7368 -23.4416 -23.4411 -22.7874 -22.7868 -22.7841 -22.7841 -15.2571 -15.2571 -7.0939 -7.0913 -6.4292 -6.4261 -6.4230 -6.4229 -1.7884 -1.7882 0.1536 0.1540 0.1637 0.1676 7.1785 7.2076 7.3587 7.3843 7.4452 7.4464 8.1539 8.1552 8.1653 8.1736 8.5276 8.5340 8.7125 8.7871 9.0035 9.0469 9.1050 9.1314 12.0892 12.1062 12.2333 12.2342 12.3081 12.3165 13.9843 13.9862 k = 0.1154-0.0006-0.0006 ( 2897 PWs) bands (ev): -46.7368 -46.7368 -23.4419 -23.4413 -22.7882 -22.7875 -22.7841 -22.7840 -15.2549 -15.2548 -7.0948 -7.0920 -6.4283 -6.4251 -6.4220 -6.4217 -1.7838 -1.7836 0.1574 0.1578 0.1702 0.1746 7.1457 7.1738 7.3454 7.3696 7.4384 7.4397 8.1288 8.1306 8.1429 8.1505 8.5104 8.5170 8.6819 8.7542 8.9953 9.0370 9.0964 9.1233 12.0924 12.1098 12.2668 12.2672 12.3224 12.3312 13.9839 13.9861 k = 0.1282-0.0006-0.0006 ( 2897 PWs) bands (ev): -46.7368 -46.7368 -23.4423 -23.4416 -22.7890 -22.7882 -22.7840 -22.7840 -15.2524 -15.2523 -7.0962 -7.0931 -6.4270 -6.4240 -6.4208 -6.4200 -1.7789 -1.7786 0.1616 0.1619 0.1774 0.1821 7.1077 7.1338 7.3339 7.3557 7.4306 7.4321 8.1020 8.1047 8.1193 8.1260 8.4915 8.4982 8.6509 8.7200 8.9858 9.0262 9.0855 9.1119 12.0970 12.1144 12.3022 12.3032 12.3398 12.3495 13.9835 13.9859 k = 0.1410-0.0007-0.0007 ( 2893 PWs) bands (ev): -46.7368 -46.7368 -23.4426 -23.4420 -22.7898 -22.7890 -22.7840 -22.7839 -15.2497 -15.2497 -7.0980 -7.0947 -6.4255 -6.4229 -6.4192 -6.4177 -1.7735 -1.7732 0.1661 0.1665 0.1852 0.1903 7.0649 7.0887 7.3235 7.3425 7.4218 7.4234 8.0739 8.0777 8.0946 8.1004 8.4711 8.4778 8.6196 8.6847 8.9748 9.0145 9.0725 9.0975 12.1028 12.1198 12.3375 12.3415 12.3611 12.3731 13.9830 13.9856 k = 0.1538-0.0008-0.0008 ( 2891 PWs) bands (ev): -46.7367 -46.7367 -23.4430 -23.4423 -22.7907 -22.7899 -22.7839 -22.7839 -15.2469 -15.2468 -7.1003 -7.0968 -6.4238 -6.4217 -6.4171 -6.4148 -1.7678 -1.7674 0.1710 0.1713 0.1936 0.1990 7.0180 7.0393 7.3137 7.3298 7.4119 7.4137 8.0448 8.0500 8.0693 8.0740 8.4493 8.4560 8.5881 8.6486 8.9626 9.0020 9.0575 9.0802 12.1096 12.1260 12.3704 12.3768 12.3910 12.4047 13.9824 13.9853 k = 0.1667-0.0008-0.0008 ( 2890 PWs) bands (ev): -46.7367 -46.7367 -23.4434 -23.4427 -22.7917 -22.7908 -22.7838 -22.7838 -15.2438 -15.2438 -7.1032 -7.0995 -6.4221 -6.4206 -6.4142 -6.4111 -1.7618 -1.7613 0.1761 0.1765 0.2024 0.2082 6.9675 6.9865 7.3040 7.3173 7.4010 7.4029 8.0150 8.0219 8.0436 8.0471 8.4264 8.4329 8.5564 8.6117 8.9491 8.9888 9.0409 9.0605 12.1171 12.1326 12.4009 12.4062 12.4324 12.4440 13.9818 13.9849 k = 0.1795-0.0009-0.0009 ( 2887 PWs) bands (ev): -46.7367 -46.7367 -23.4439 -23.4431 -22.7927 -22.7918 -22.7837 -22.7837 -15.2407 -15.2406 -7.1067 -7.1028 -6.4205 -6.4195 -6.4104 -6.4066 -1.7556 -1.7550 0.1815 0.1819 0.2117 0.2179 6.9141 6.9310 7.2941 7.3049 7.3890 7.3910 7.9849 7.9936 8.0177 8.0201 8.4025 8.4087 8.5246 8.5744 8.9343 8.9749 9.0230 9.0388 12.1250 12.1395 12.4318 12.4366 12.4779 12.4880 13.9811 13.9844 k = 0.1923-0.0010-0.0010 ( 2885 PWs) bands (ev): -46.7367 -46.7367 -23.4443 -23.4435 -22.7937 -22.7928 -22.7837 -22.7836 -15.2374 -15.2373 -7.1108 -7.1068 -6.4190 -6.4183 -6.4056 -6.4013 -1.7491 -1.7485 0.1871 0.1875 0.2215 0.2279 6.8583 6.8733 7.2840 7.2925 7.3759 7.3780 7.9546 7.9654 7.9917 7.9931 8.3779 8.3837 8.4930 8.5368 8.9184 8.9603 9.0043 9.0156 12.1331 12.1465 12.4647 12.4698 12.5254 12.5347 13.9803 13.9839 k = 0.2051-0.0010-0.0010 ( 2885 PWs) bands (ev): -46.7366 -46.7366 -23.4448 -23.4440 -22.7948 -22.7938 -22.7836 -22.7836 -15.2340 -15.2339 -7.1155 -7.1114 -6.4176 -6.4171 -6.3998 -6.3952 -1.7425 -1.7417 0.1929 0.1933 0.2315 0.2382 6.8006 6.8140 7.2734 7.2799 7.3618 7.3639 7.9244 7.9374 7.9660 7.9665 8.3528 8.3582 8.4615 8.4991 8.9015 8.9450 8.9852 8.9914 12.1412 12.1535 12.5001 12.5057 12.5743 12.5832 13.9795 13.9833 k = 0.2179-0.0011-0.0011 ( 2888 PWs) bands (ev): -46.7366 -46.7366 -23.4453 -23.4444 -22.7959 -22.7949 -22.7835 -22.7835 -15.2305 -15.2304 -7.1209 -7.1167 -6.4163 -6.4159 -6.3932 -6.3884 -1.7357 -1.7349 0.1989 0.1993 0.2419 0.2488 6.7416 6.7537 7.2624 7.2669 7.3466 7.3488 7.8945 7.9100 7.9403 7.9406 8.3273 8.3322 8.4304 8.4617 8.8834 8.9288 8.9660 8.9669 12.1492 12.1604 12.5379 12.5442 12.6242 12.6329 13.9785 13.9825 k = 0.2308-0.0012-0.0012 ( 2888 PWs) bands (ev): -46.7366 -46.7366 -23.4458 -23.4449 -22.7970 -22.7960 -22.7835 -22.7834 -15.2269 -15.2268 -7.1268 -7.1226 -6.4150 -6.4147 -6.3858 -6.3808 -1.7288 -1.7280 0.2050 0.2054 0.2525 0.2595 6.6818 6.6926 7.2508 7.2537 7.3305 7.3327 7.8652 7.8831 7.9147 7.9156 8.3018 8.3061 8.3998 8.4249 8.8645 8.9112 8.9430 8.9470 12.1569 12.1672 12.5780 12.5848 12.6747 12.6833 13.9775 13.9817 k = 0.2436-0.0012-0.0012 ( 2882 PWs) bands (ev): -46.7365 -46.7365 -23.4462 -23.4454 -22.7981 -22.7971 -22.7834 -22.7834 -15.2233 -15.2232 -7.1333 -7.1291 -6.4137 -6.4135 -6.3776 -6.3726 -1.7219 -1.7210 0.2112 0.2116 0.2632 0.2704 6.6217 6.6314 7.2386 7.2401 7.3135 7.3157 7.8365 7.8570 7.8898 7.8911 8.2764 8.2800 8.3699 8.3889 8.8447 8.8913 8.9210 8.9284 12.1645 12.1738 12.6199 12.6273 12.7255 12.7340 13.9763 13.9808 k = 0.2564-0.0013-0.0013 ( 2879 PWs) bands (ev): -46.7365 -46.7365 -23.4467 -23.4458 -22.7992 -22.7982 -22.7833 -22.7833 -15.2197 -15.2196 -7.1402 -7.1361 -6.4124 -6.4122 -6.3688 -6.3637 -1.7150 -1.7140 0.2175 0.2179 0.2739 0.2813 6.5617 6.5705 7.2260 7.2262 7.2959 7.2980 7.8087 7.8317 7.8656 7.8671 8.2513 8.2541 8.3409 8.3542 8.8244 8.8689 8.9016 8.9105 12.1717 12.1802 12.6634 12.6712 12.7764 12.7849 13.9750 13.9797 k = 0.2692-0.0014-0.0014 ( 2872 PWs) bands (ev): -46.7365 -46.7365 -23.4471 -23.4463 -22.8002 -22.7993 -22.7832 -22.7832 -15.2160 -15.2159 -7.1476 -7.1436 -6.4112 -6.4110 -6.3594 -6.3543 -1.7082 -1.7071 0.2237 0.2241 0.2847 0.2921 6.5021 6.5101 7.2120 7.2129 7.2776 7.2796 7.7818 7.8074 7.8422 7.8436 8.2268 8.2287 8.3130 8.3209 8.8036 8.8447 8.8844 8.8932 12.1787 12.1864 12.7079 12.7160 12.8270 12.8354 13.9737 13.9785 k = 0.2821-0.0014-0.0014 ( 2870 PWs) bands (ev): -46.7364 -46.7364 -23.4476 -23.4468 -22.8013 -22.8003 -22.7831 -22.7831 -15.2124 -15.2123 -7.1553 -7.1513 -6.4100 -6.4098 -6.3496 -6.3446 -1.7014 -1.7003 0.2299 0.2303 0.2955 0.3029 6.4435 6.4508 7.1977 7.1995 7.2590 7.2609 7.7560 7.7839 7.8196 7.8206 8.2029 8.2038 8.2863 8.2895 8.7828 8.8198 8.8686 8.8767 12.1854 12.1923 12.7530 12.7613 12.8770 12.8854 13.9722 13.9772 k = 0.2949-0.0015-0.0015 ( 2875 PWs) bands (ev): -46.7364 -46.7364 -23.4481 -23.4473 -22.8024 -22.8014 -22.7831 -22.7831 -15.2089 -15.2088 -7.1632 -7.1594 -6.4088 -6.4086 -6.3393 -6.3345 -1.6948 -1.6937 0.2361 0.2365 0.3061 0.3134 6.3862 6.3928 7.1832 7.1858 7.2401 7.2419 7.7313 7.7614 7.7978 7.7981 8.1796 8.1798 8.2601 8.2610 8.7620 8.7949 8.8538 8.8610 12.1918 12.1981 12.7983 12.8067 12.9261 12.9344 13.9705 13.9757 k = 0.3077-0.0016-0.0015 ( 2875 PWs) bands (ev): -46.7364 -46.7364 -23.4486 -23.4478 -22.8034 -22.8025 -22.7830 -22.7830 -15.2054 -15.2053 -7.1712 -7.1675 -6.4076 -6.4075 -6.3289 -6.3242 -1.6884 -1.6872 0.2421 0.2425 0.3165 0.3238 6.3305 6.3365 7.1687 7.1719 7.2213 7.2228 7.7077 7.7398 7.7763 7.7769 8.1563 8.1576 8.2330 8.2373 8.7416 8.7706 8.8398 8.8461 12.1979 12.2036 12.8434 12.8517 12.9740 12.9823 13.9688 13.9741 k = 0.3205-0.0016-0.0016 ( 2875 PWs) bands (ev): -46.7364 -46.7364 -23.4490 -23.4482 -22.8044 -22.8035 -22.7830 -22.7830 -15.2021 -15.2020 -7.1793 -7.1758 -6.4064 -6.4064 -6.3184 -6.3138 -1.6821 -1.6809 0.2480 0.2484 0.3266 0.3337 6.2768 6.2823 7.1543 7.1581 7.2026 7.2039 7.6854 7.7191 7.7551 7.7569 8.1341 8.1365 8.2084 8.2153 8.7216 8.7470 8.8265 8.8319 12.2037 12.2088 12.8877 12.8960 13.0205 13.0288 13.9669 13.9723 k = 0.3333-0.0017-0.0017 ( 2871 PWs) bands (ev): -46.7363 -46.7363 -23.4494 -23.4487 -22.8053 -22.8045 -22.7829 -22.7829 -15.1988 -15.1987 -7.1872 -7.1840 -6.4053 -6.4053 -6.3079 -6.3035 -1.6762 -1.6749 0.2536 0.2540 0.3365 0.3434 6.2253 6.2304 7.1402 7.1443 7.1843 7.1854 7.6643 7.6992 7.7347 7.7378 8.1129 8.1164 8.1862 8.1951 8.7024 8.7244 8.8139 8.8186 12.2092 12.2138 12.9311 12.9392 13.0654 13.0735 13.9650 13.9704 k = 0.3462-0.0018-0.0017 ( 2871 PWs) bands (ev): -46.7363 -46.7363 -23.4498 -23.4491 -22.8062 -22.8054 -22.7829 -22.7828 -15.1957 -15.1956 -7.1951 -7.1920 -6.4043 -6.4042 -6.2975 -6.2934 -1.6704 -1.6692 0.2591 0.2594 0.3459 0.3525 6.1765 6.1811 7.1265 7.1308 7.1666 7.1674 7.6445 7.6800 7.7154 7.7196 8.0931 8.0976 8.1665 8.1767 8.6840 8.7030 8.8021 8.8061 12.2144 12.2186 12.9730 12.9808 13.1083 13.1162 13.9629 13.9684 k = 0.3590-0.0018-0.0018 ( 2868 PWs) bands (ev): -46.7363 -46.7363 -23.4502 -23.4495 -22.8070 -22.8063 -22.7828 -22.7828 -15.1928 -15.1927 -7.2027 -7.1998 -6.4033 -6.4033 -6.2874 -6.2836 -1.6651 -1.6639 0.2642 0.2646 0.3548 0.3612 6.1306 6.1348 7.1133 7.1177 7.1496 7.1502 7.6261 7.6615 7.6972 7.7025 8.0747 8.0799 8.1492 8.1601 8.6666 8.6829 8.7910 8.7945 12.2192 12.2230 13.0130 13.0205 13.1490 13.1567 13.9608 13.9662 k = 0.3718-0.0019-0.0019 ( 2869 PWs) bands (ev): -46.7363 -46.7363 -23.4505 -23.4499 -22.8078 -22.8071 -22.7827 -22.7827 -15.1900 -15.1900 -7.2099 -7.2072 -6.4024 -6.4024 -6.2777 -6.2742 -1.6600 -1.6589 0.2691 0.2694 0.3633 0.3692 6.0878 6.0916 7.1008 7.1051 7.1335 7.1339 7.6091 7.6436 7.6805 7.6865 8.0578 8.0636 8.1342 8.1453 8.6503 8.6641 8.7808 8.7838 12.2237 12.2271 13.0510 13.0580 13.1873 13.1947 13.9586 13.9639 k = 0.3846-0.0019-0.0019 ( 2865 PWs) bands (ev): -46.7362 -46.7362 -23.4509 -23.4503 -22.8085 -22.8079 -22.7827 -22.7827 -15.1875 -15.1874 -7.2167 -7.2143 -6.4016 -6.4015 -6.2686 -6.2653 -1.6554 -1.6543 0.2736 0.2739 0.3711 0.3767 6.0483 6.0517 7.0891 7.0932 7.1185 7.1186 7.5935 7.6264 7.6654 7.6717 8.0425 8.0486 8.1213 8.1323 8.6353 8.6469 8.7714 8.7739 12.2279 12.2309 13.0864 13.0930 13.2229 13.2300 13.9563 13.9615 k = 0.3974-0.0020-0.0020 ( 2870 PWs) bands (ev): -46.7362 -46.7362 -23.4512 -23.4507 -22.8092 -22.8086 -22.7827 -22.7826 -15.1852 -15.1851 -7.2230 -7.2208 -6.4008 -6.4007 -6.2600 -6.2571 -1.6511 -1.6501 0.2777 0.2780 0.3784 0.3834 6.0124 6.0155 7.0783 7.0822 7.1046 7.1047 7.5794 7.6100 7.6519 7.6582 8.0289 8.0350 8.1104 8.1209 8.6215 8.6312 8.7629 8.7651 12.2317 12.2343 13.1190 13.1251 13.2556 13.2623 13.9541 13.9590 k = 0.4103-0.0021-0.0021 ( 2878 PWs) bands (ev): -46.7362 -46.7362 -23.4515 -23.4510 -22.8099 -22.8093 -22.7826 -22.7826 -15.1831 -15.1830 -7.2287 -7.2268 -6.4001 -6.4000 -6.2522 -6.2496 -1.6473 -1.6464 0.2814 0.2817 0.3849 0.3894 5.9804 5.9830 7.0686 7.0721 7.0919 7.0922 7.5670 7.5947 7.6401 7.6460 8.0170 8.0229 8.1014 8.1111 8.6092 8.6172 8.7554 8.7572 12.2351 12.2373 13.1486 13.1540 13.2852 13.2914 13.9520 13.9566 k = 0.4231-0.0021-0.0021 ( 2881 PWs) bands (ev): -46.7362 -46.7362 -23.4517 -23.4513 -22.8104 -22.8099 -22.7826 -22.7826 -15.1812 -15.1812 -7.2337 -7.2321 -6.3995 -6.3994 -6.2452 -6.2430 -1.6439 -1.6431 0.2847 0.2849 0.3907 0.3947 5.9522 5.9545 7.0600 7.0630 7.0807 7.0812 7.5563 7.5806 7.6299 7.6353 8.0067 8.0122 8.0940 8.1027 8.5984 8.6048 8.7488 8.7503 12.2381 12.2400 13.1748 13.1796 13.3115 13.3170 13.9500 13.9542 k = 0.4359-0.0022-0.0022 ( 2877 PWs) bands (ev): -46.7362 -46.7362 -23.4519 -23.4515 -22.8108 -22.8104 -22.7826 -22.7826 -15.1796 -15.1796 -7.2381 -7.2367 -6.3989 -6.3989 -6.2392 -6.2373 -1.6410 -1.6403 0.2875 0.2877 0.3958 0.3992 5.9282 5.9301 7.0526 7.0552 7.0711 7.0717 7.5474 7.5680 7.6214 7.6260 7.9982 8.0030 8.0881 8.0956 8.5892 8.5943 8.7432 8.7444 12.2407 12.2423 13.1975 13.2016 13.3343 13.3391 13.9483 13.9519 k = 0.4487-0.0023-0.0023 ( 2879 PWs) bands (ev): -46.7362 -46.7362 -23.4520 -23.4518 -22.8111 -22.8108 -22.7826 -22.7826 -15.1783 -15.1783 -7.2417 -7.2406 -6.3985 -6.3985 -6.2340 -6.2325 -1.6386 -1.6380 0.2899 0.2900 0.4000 0.4028 5.9084 5.9099 7.0465 7.0486 7.0632 7.0637 7.5403 7.5570 7.6145 7.6183 7.9913 7.9954 8.0836 8.0899 8.5816 8.5855 8.7386 8.7395 12.2429 12.2441 13.2164 13.2197 13.3534 13.3573 13.9467 13.9498 k = 0.4615-0.0023-0.0023 ( 2883 PWs) bands (ev): -46.7362 -46.7362 -23.4522 -23.4520 -22.8114 -22.8112 -22.7825 -22.7825 -15.1773 -15.1772 -7.2445 -7.2437 -6.3982 -6.3982 -6.2300 -6.2288 -1.6367 -1.6363 0.2917 0.2918 0.4035 0.4056 5.8929 5.8941 7.0418 7.0433 7.0569 7.0574 7.5352 7.5478 7.6093 7.6121 7.9862 7.9893 8.0805 8.0852 8.5757 8.5785 8.7350 8.7357 12.2446 12.2455 13.2314 13.2339 13.3685 13.3716 13.9456 13.9479 k = 0.4744-0.0024-0.0024 ( 2882 PWs) bands (ev): -46.7361 -46.7361 -23.4522 -23.4521 -22.8116 -22.8114 -22.7825 -22.7825 -15.1765 -15.1765 -7.2465 -7.2459 -6.3979 -6.3979 -6.2269 -6.2262 -1.6353 -1.6350 0.2931 0.2931 0.4060 0.4074 5.8819 5.8827 7.0384 7.0394 7.0525 7.0529 7.5322 7.5406 7.6057 7.6076 7.9826 7.9848 8.0785 8.0818 8.5716 8.5734 8.7325 8.7329 12.2459 12.2465 13.2423 13.2440 13.3796 13.3817 13.9448 13.9464 k = 0.4872-0.0025-0.0025 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4522 -22.8117 -22.8116 -22.7825 -22.7825 -15.1761 -15.1761 -7.2476 -7.2473 -6.3978 -6.3978 -6.2250 -6.2247 -1.6344 -1.6343 0.2939 0.2939 0.4077 0.4084 5.8753 5.8757 7.0365 7.0370 7.0499 7.0501 7.5311 7.5354 7.6037 7.6047 7.9807 7.9818 8.0777 8.0794 8.5693 8.5702 8.7310 8.7312 12.2467 12.2470 13.2491 13.2500 13.3865 13.3876 13.9445 13.9453 k = 0.5000-0.0025-0.0025 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4523 -22.8117 -22.8117 -22.7825 -22.7825 -15.1759 -15.1759 -7.2479 -7.2479 -6.3977 -6.3977 -6.2243 -6.2243 -1.6341 -1.6341 0.2942 0.2942 0.4085 0.4085 5.8732 5.8732 7.0360 7.0360 7.0491 7.0491 7.5322 7.5322 7.6034 7.6034 7.9805 7.9805 8.0780 8.0780 8.5688 8.5688 8.7306 8.7306 12.2471 12.2471 13.2517 13.2517 13.3892 13.3892 13.9447 13.9447 k = 0.5000-0.0025-0.0025 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4523 -22.8117 -22.8117 -22.7825 -22.7825 -15.1759 -15.1759 -7.2479 -7.2479 -6.3977 -6.3977 -6.2243 -6.2243 -1.6341 -1.6341 0.2942 0.2942 0.4085 0.4085 5.8732 5.8732 7.0360 7.0360 7.0491 7.0491 7.5322 7.5322 7.6034 7.6034 7.9805 7.9805 8.0780 8.0780 8.5688 8.5688 8.7306 8.7306 12.2471 12.2471 13.2517 13.2517 13.3892 13.3892 13.9447 13.9447 k = 0.5000 0.0065-0.0116 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4522 -22.8117 -22.8117 -22.7826 -22.7825 -15.1758 -15.1758 -7.2474 -7.2471 -6.3978 -6.3974 -6.2247 -6.2244 -1.6358 -1.6326 0.2913 0.2968 0.4071 0.4088 5.8727 5.8733 7.0289 7.0372 7.0471 7.0551 7.5151 7.5372 7.5834 7.6137 7.9788 7.9942 8.0721 8.0944 8.5551 8.5675 8.7292 8.7422 12.2460 12.2487 13.2506 13.2521 13.3887 13.3900 13.9477 13.9489 k = 0.5000 0.0155-0.0206 ( 2882 PWs) bands (ev): -46.7361 -46.7361 -23.4524 -23.4522 -22.8118 -22.8116 -22.7828 -22.7825 -15.1755 -15.1755 -7.2454 -7.2449 -6.3978 -6.3969 -6.2258 -6.2252 -1.6379 -1.6315 0.2884 0.2994 0.4046 0.4080 5.8717 5.8730 7.0200 7.0298 7.0518 7.0608 7.4879 7.5246 7.5613 7.6135 7.9889 8.0175 8.0780 8.1194 8.5307 8.5514 8.7381 8.7598 12.2455 12.2507 13.2489 13.2518 13.3884 13.3910 13.9578 13.9602 k = 0.5000 0.0245-0.0297 ( 2882 PWs) bands (ev): -46.7361 -46.7361 -23.4525 -23.4523 -22.8119 -22.8116 -22.7830 -22.7826 -15.1751 -15.1751 -7.2421 -7.2413 -6.3975 -6.3963 -6.2275 -6.2266 -1.6402 -1.6307 0.2852 0.3017 0.4011 0.4061 5.8702 5.8722 7.0097 7.0201 7.0568 7.0659 7.4527 7.4905 7.5453 7.6047 8.0089 8.0459 8.0963 8.1507 8.5000 8.5252 8.7526 8.7791 12.2458 12.2534 13.2468 13.2510 13.3885 13.3921 13.9749 13.9785 k = 0.5000 0.0335-0.0387 ( 2882 PWs) bands (ev): -46.7361 -46.7361 -23.4527 -23.4523 -22.8120 -22.8117 -22.7833 -22.7828 -15.1744 -15.1744 -7.2374 -7.2363 -6.3971 -6.3955 -6.2298 -6.2286 -1.6429 -1.6302 0.2818 0.3037 0.3965 0.4032 5.8684 5.8709 6.9977 7.0087 7.0612 7.0701 7.4113 7.4452 7.5301 7.5898 8.0362 8.0759 8.1259 8.1862 8.4657 8.4933 8.7687 8.7978 12.2470 12.2570 13.2446 13.2497 13.3887 13.3932 13.9987 14.0033 k = 0.5000 0.0425-0.0477 ( 2880 PWs) bands (ev): -46.7361 -46.7361 -23.4529 -23.4524 -22.8121 -22.8117 -22.7836 -22.7830 -15.1736 -15.1736 -7.2314 -7.2300 -6.3965 -6.3945 -6.2326 -6.2311 -1.6460 -1.6302 0.2780 0.3053 0.3912 0.3995 5.8661 5.8693 6.9839 6.9956 7.0649 7.0735 7.3658 7.3951 7.5132 7.5713 8.0683 8.1069 8.1629 8.2238 8.4298 8.4590 8.7840 8.8145 12.2495 12.2618 13.2424 13.2483 13.3891 13.3943 14.0288 14.0344 k = 0.5000 0.0515-0.0568 ( 2880 PWs) bands (ev): -46.7361 -46.7361 -23.4531 -23.4526 -22.8122 -22.8118 -22.7840 -22.7833 -15.1726 -15.1725 -7.2240 -7.2224 -6.3958 -6.3933 -6.2360 -6.2342 -1.6494 -1.6305 0.2737 0.3061 0.3852 0.3949 5.8635 5.8673 6.9677 6.9803 7.0676 7.0758 7.3178 7.3433 7.4950 7.5508 8.1033 8.1388 8.2031 8.2607 8.3945 8.4256 8.7973 8.8286 12.2537 12.2681 13.2406 13.2469 13.3897 13.3953 14.0646 14.0713 k = 0.5000 0.0605-0.0658 ( 2880 PWs) bands (ev): -46.7361 -46.7361 -23.4533 -23.4527 -22.8124 -22.8118 -22.7845 -22.7836 -15.1714 -15.1713 -7.2152 -7.2134 -6.3948 -6.3919 -6.2398 -6.2377 -1.6533 -1.6314 0.2686 0.3057 0.3790 0.3896 5.8606 5.8649 6.9487 6.9624 7.0692 7.0771 7.2690 7.2918 7.4763 7.5297 8.1387 8.1700 8.2422 8.2915 8.3642 8.3996 8.8079 8.8396 12.2600 12.2763 13.2391 13.2457 13.3904 13.3963 14.1059 14.1134 k = 0.5000 0.0695-0.0749 ( 2886 PWs) bands (ev): -46.7361 -46.7361 -23.4537 -23.4530 -22.8126 -22.8120 -22.7850 -22.7840 -15.1700 -15.1700 -7.2052 -7.2031 -6.3937 -6.3905 -6.2441 -6.2418 -1.6577 -1.6327 0.2627 0.3037 0.3729 0.3838 5.8574 5.8622 6.9264 6.9411 7.0696 7.0770 7.2211 7.2422 7.4578 7.5088 8.1703 8.1937 8.2740 8.3034 8.3514 8.3969 8.8157 8.8473 12.2687 12.2867 13.2383 13.2450 13.3913 13.3974 14.1519 14.1603 k = 0.5000 0.0785-0.0839 ( 2888 PWs) bands (ev): -46.7361 -46.7361 -23.4540 -23.4532 -22.8128 -22.8121 -22.7856 -22.7845 -15.1685 -15.1684 -7.1939 -7.1915 -6.3924 -6.3888 -6.2488 -6.2462 -1.6626 -1.6346 0.2558 0.2996 0.3676 0.3776 5.8540 5.8592 6.9001 6.9156 7.0686 7.0753 7.1758 7.1957 7.4400 7.4887 8.1867 8.1954 8.2985 8.3038 8.3688 8.4217 8.8204 8.8517 12.2801 12.2996 13.2382 13.2449 13.3925 13.3986 14.2024 14.2115 k = 0.5000 0.0875-0.0930 ( 2886 PWs) bands (ev): -46.7360 -46.7360 -23.4543 -23.4535 -22.8129 -22.8122 -22.7863 -22.7850 -15.1668 -15.1667 -7.1813 -7.1787 -6.3910 -6.3870 -6.2538 -6.2509 -1.6680 -1.6372 0.2476 0.2927 0.3633 0.3710 5.8503 5.8561 6.8695 6.8853 7.0658 7.0716 7.1349 7.1533 7.4230 7.4696 8.1702 8.1779 8.3215 8.3308 8.4037 8.4571 8.8221 8.8530 12.2945 12.3153 13.2388 13.2454 13.3940 13.4001 14.2567 14.2665 k = 0.5000 0.0965-0.1020 ( 2882 PWs) bands (ev): -46.7360 -46.7360 -23.4547 -23.4537 -22.8131 -22.8123 -22.7869 -22.7856 -15.1649 -15.1649 -7.1674 -7.1646 -6.3894 -6.3850 -6.2591 -6.2560 -1.6741 -1.6404 0.2381 0.2832 0.3600 0.3643 5.8466 5.8527 6.8346 6.8500 7.0611 7.0648 7.1001 7.1155 7.4071 7.4518 8.1357 8.1478 8.3558 8.3702 8.4432 8.4952 8.8211 8.8512 12.3120 12.3339 13.2403 13.2467 13.3960 13.4020 14.3145 14.3248 k = 0.5000 0.1055-0.1111 ( 2882 PWs) bands (ev): -46.7360 -46.7360 -23.4551 -23.4541 -22.8133 -22.8125 -22.7877 -22.7863 -15.1629 -15.1629 -7.1524 -7.1494 -6.3876 -6.3829 -6.2646 -6.2613 -1.6808 -1.6444 0.2270 0.2711 0.3573 0.3577 5.8428 5.8492 6.7960 6.8101 7.0510 7.0540 7.0750 7.0829 7.3924 7.4354 8.0972 8.1106 8.3970 8.4130 8.4834 8.5337 8.8178 8.8468 12.3329 12.3557 13.2426 13.2488 13.3985 13.4045 14.3754 14.3861 k = 0.5000 0.1145-0.1201 ( 2886 PWs) bands (ev): -46.7360 -46.7360 -23.4555 -23.4544 -22.8136 -22.8127 -22.7885 -22.7870 -15.1607 -15.1607 -7.1362 -7.1329 -6.3858 -6.3807 -6.2703 -6.2667 -1.6882 -1.6492 0.2144 0.2568 0.3502 0.3555 5.8389 5.8455 6.7546 6.7669 7.0297 7.0411 7.0574 7.0603 7.3787 7.4201 8.0575 8.0710 8.4412 8.4575 8.5232 8.5715 8.8125 8.8402 12.3571 12.3806 13.2459 13.2518 13.4017 13.4075 14.4389 14.4500 k = 0.5000 0.1235-0.1292 ( 2888 PWs) bands (ev): -46.7359 -46.7359 -23.4560 -23.4548 -22.8138 -22.8129 -22.7893 -22.7877 -15.1585 -15.1584 -7.1189 -7.1154 -6.3837 -6.3784 -6.2761 -6.2723 -1.6963 -1.6547 0.2003 0.2407 0.3427 0.3532 5.8350 5.8418 6.7116 6.7217 7.0069 7.0195 7.0418 7.0479 7.3659 7.4060 8.0180 8.0307 8.4865 8.5029 8.5620 8.6083 8.8060 8.8319 12.3845 12.4087 13.2501 13.2558 13.4055 13.4113 14.5047 14.5161 k = 0.5000 0.1325-0.1382 ( 2886 PWs) bands (ev): -46.7359 -46.7359 -23.4564 -23.4552 -22.8141 -22.8130 -22.7902 -22.7885 -15.1560 -15.1560 -7.1005 -7.0968 -6.3815 -6.3759 -6.2819 -6.2779 -1.7053 -1.6612 0.1847 0.2231 0.3347 0.3505 5.8312 5.8380 6.6682 6.6761 6.9853 6.9959 7.0283 7.0345 7.3537 7.3929 7.9790 7.9906 8.5324 8.5486 8.5998 8.6437 8.7991 8.8227 12.4152 12.4398 13.2554 13.2607 13.4102 13.4158 14.5724 14.5840 k = 0.5000 0.1415-0.1472 ( 2880 PWs) bands (ev): -46.7359 -46.7359 -23.4569 -23.4556 -22.8143 -22.8132 -22.7911 -22.7893 -15.1535 -15.1535 -7.0810 -7.0771 -6.3793 -6.3733 -6.2876 -6.2835 -1.7150 -1.6685 0.1677 0.2042 0.3261 0.3470 5.8275 5.8342 6.6254 6.6312 6.9648 6.9730 7.0136 7.0196 7.3420 7.3804 7.9411 7.9513 8.5782 8.5943 8.6362 8.6767 8.7933 8.8134 12.4490 12.4738 13.2616 13.2666 13.4157 13.4212 14.6418 14.6536 k = 0.5000 0.1505-0.1563 ( 2880 PWs) bands (ev): -46.7358 -46.7358 -23.4574 -23.4561 -22.8146 -22.8135 -22.7921 -22.7902 -15.1509 -15.1509 -7.0605 -7.0565 -6.3769 -6.3707 -6.2933 -6.2890 -1.7255 -1.6767 0.1494 0.1841 0.3167 0.3424 5.8238 5.8303 6.5841 6.5879 6.9447 6.9509 6.9972 7.0030 7.3305 7.3685 7.9042 7.9128 8.6237 8.6395 8.6709 8.7058 8.7907 8.8054 12.4855 12.5105 13.2689 13.2735 13.4221 13.4275 14.7125 14.7245 k = 0.5000 0.1595-0.1653 ( 2882 PWs) bands (ev): -46.7358 -46.7358 -23.4579 -23.4566 -22.8149 -22.8137 -22.7931 -22.7911 -15.1481 -15.1481 -7.0391 -7.0349 -6.3744 -6.3679 -6.2988 -6.2944 -1.7368 -1.6859 0.1300 0.1630 0.3063 0.3365 5.8202 5.8264 6.5450 6.5471 6.9245 6.9295 6.9790 6.9849 7.3190 7.3569 7.8684 7.8754 8.6682 8.6836 8.7028 8.7276 8.7937 8.8032 12.5247 12.5496 13.2772 13.2815 13.4294 13.4346 14.7844 14.7963 k = 0.5000 0.1685-0.1744 ( 2886 PWs) bands (ev): -46.7358 -46.7358 -23.4585 -23.4571 -22.8152 -22.8140 -22.7941 -22.7921 -15.1453 -15.1453 -7.0168 -7.0124 -6.3718 -6.3651 -6.3040 -6.2996 -1.7490 -1.6960 0.1095 0.1410 0.2947 0.3292 5.8166 5.8224 6.5081 6.5098 6.9034 6.9088 6.9591 6.9653 7.3076 7.3457 7.8336 7.8390 8.7104 8.7243 8.7287 8.7421 8.7983 8.8183 12.5661 12.5910 13.2866 13.2906 13.4376 13.4427 14.8570 14.8690 k = 0.5000 0.1775-0.1834 ( 2888 PWs) bands (ev): -46.7357 -46.7357 -23.4591 -23.4576 -22.8155 -22.8142 -22.7952 -22.7931 -15.1424 -15.1424 -6.9937 -6.9891 -6.3691 -6.3623 -6.3089 -6.3045 -1.7620 -1.7071 0.0880 0.1183 0.2818 0.3202 5.8130 5.8182 6.4737 6.4768 6.8813 6.8882 6.9377 6.9447 7.2962 7.3347 7.7996 7.8034 8.7317 8.7494 8.7572 8.7684 8.8149 8.8445 12.6096 12.6342 13.2971 13.3008 13.4467 13.4518 14.9302 14.9421 k = 0.5000 0.1865-0.1925 ( 2890 PWs) bands (ev): -46.7357 -46.7357 -23.4596 -23.4581 -22.8158 -22.8145 -22.7962 -22.7941 -15.1394 -15.1394 -6.9698 -6.9651 -6.3664 -6.3594 -6.3134 -6.3091 -1.7758 -1.7190 0.0658 0.0949 0.2674 0.3094 5.8092 5.8138 6.4427 6.4479 6.8580 6.8670 6.9152 6.9233 7.2848 7.3240 7.7662 7.7688 8.7359 8.7550 8.7963 8.8041 8.8457 8.8750 12.6547 12.6791 13.3087 13.3121 13.4568 13.4617 15.0036 15.0155 k = 0.5000 0.1955-0.2015 ( 2890 PWs) bands (ev): -46.7356 -46.7356 -23.4602 -23.4587 -22.8161 -22.8148 -22.7973 -22.7951 -15.1364 -15.1363 -6.9451 -6.9403 -6.3637 -6.3566 -6.3175 -6.3133 -1.7903 -1.7319 0.0428 0.0709 0.2514 0.2967 5.8052 5.8090 6.4157 6.4231 6.8335 6.8448 6.8920 6.9015 7.2736 7.3136 7.7329 7.7351 8.7398 8.7583 8.8330 8.8389 8.8832 8.9076 12.7013 12.7253 13.3214 13.3245 13.4677 13.4726 15.0771 15.0888 k = 0.5000 0.2045-0.2106 ( 2884 PWs) bands (ev): -46.7356 -46.7356 -23.4608 -23.4592 -22.8164 -22.8150 -22.7984 -22.7962 -15.1333 -15.1332 -6.9198 -6.9149 -6.3610 -6.3538 -6.3210 -6.3170 -1.8056 -1.7457 0.0193 0.0464 0.2337 0.2821 5.8008 5.8040 6.3929 6.4027 6.8077 6.8212 6.8684 6.8796 7.2627 7.3037 7.6995 7.7025 8.7459 8.7630 8.8656 8.8739 8.9227 8.9415 12.7489 12.7725 13.3352 13.3380 13.4795 13.4843 15.1503 15.1619 k = 0.5000 0.2135-0.2196 ( 2886 PWs) bands (ev): -46.7356 -46.7356 -23.4614 -23.4598 -22.8167 -22.8153 -22.7995 -22.7973 -15.1301 -15.1301 -6.8940 -6.8889 -6.3583 -6.3511 -6.3239 -6.3203 -1.8216 -1.7603 -0.0047 0.0215 0.2143 0.2655 5.7959 5.7984 6.3743 6.3866 6.7805 6.7961 6.8447 6.8581 7.2521 7.2943 7.6664 7.6707 8.7549 8.7705 8.8960 8.9077 8.9626 8.9764 12.7973 12.8204 13.3501 13.3526 13.4922 13.4968 15.2229 15.2344 k = 0.5000 0.2225-0.2287 ( 2886 PWs) bands (ev): -46.7355 -46.7355 -23.4620 -23.4604 -22.8170 -22.8156 -22.8006 -22.7984 -15.1270 -15.1269 -6.8676 -6.8625 -6.3558 -6.3487 -6.3259 -6.3230 -1.8383 -1.7757 -0.0291 -0.0037 0.1931 0.2468 5.7903 5.7924 6.3599 6.3749 6.7524 6.7698 6.8209 6.8368 7.2420 7.2854 7.6337 7.6394 8.7671 8.7812 8.9253 8.9398 9.0019 9.0117 12.8461 12.8686 13.3660 13.3683 13.5056 13.5102 15.2946 15.3060 k = 0.5000 0.2315-0.2377 ( 2888 PWs) bands (ev): -46.7355 -46.7355 -23.4626 -23.4610 -22.8173 -22.8159 -22.8018 -22.7995 -15.1238 -15.1238 -6.8408 -6.8356 -6.3536 -6.3465 -6.3270 -6.3250 -1.8557 -1.7920 -0.0538 -0.0291 0.1702 0.2261 5.7838 5.7859 6.3496 6.3673 6.7236 6.7428 6.7970 6.8158 7.2323 7.2771 7.6018 7.6088 8.7828 8.7954 8.9538 8.9701 9.0403 9.0471 12.8951 12.9170 13.3830 13.3850 13.5197 13.5242 15.3651 15.3763 k = 0.5000 0.2405-0.2467 ( 2888 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4616 -22.8176 -22.8162 -22.8029 -22.8006 -15.1206 -15.1206 -6.8136 -6.8084 -6.3517 -6.3447 -6.3273 -6.3260 -1.8736 -1.8089 -0.0787 -0.0547 0.1455 0.2034 5.7764 5.7787 6.3429 6.3634 6.6950 6.7159 6.7727 6.7949 7.2231 7.2692 7.5709 7.5792 8.8017 8.8129 8.9817 8.9992 9.0776 9.0822 12.9441 12.9653 13.4009 13.4027 13.5345 13.5389 15.4340 15.4451 k = 0.5000 0.2495-0.2558 ( 2890 PWs) bands (ev): -46.7354 -46.7354 -23.4638 -23.4622 -22.8179 -22.8165 -22.8040 -22.8017 -15.1174 -15.1174 -6.7862 -6.7809 -6.3503 -6.3432 -6.3273 -6.3256 -1.8919 -1.8265 -0.1036 -0.0803 0.1193 0.1789 5.7680 5.7707 6.3393 6.3625 6.6671 6.6900 6.7480 6.7741 7.2143 7.2618 7.5413 7.5508 8.8237 8.8337 9.0090 9.0272 9.1136 9.1165 12.9926 13.0131 13.4199 13.4214 13.5499 13.5542 15.5008 15.5120 k = 0.5000 0.2585-0.2648 ( 2894 PWs) bands (ev): -46.7354 -46.7354 -23.4644 -23.4628 -22.8183 -22.8169 -22.8052 -22.8029 -15.1142 -15.1142 -6.7586 -6.7532 -6.3491 -6.3420 -6.3267 -6.3240 -1.9108 -1.8448 -0.1286 -0.1059 0.0916 0.1525 5.7588 5.7618 6.3379 6.3635 6.6410 6.6662 6.7227 6.7535 7.2059 7.2548 7.5135 7.5241 8.8486 8.8574 9.0359 9.0543 9.1482 9.1500 13.0405 13.0603 13.4397 13.4409 13.5659 13.5701 15.5652 15.5764 k = 0.5000 0.2675-0.2739 ( 2894 PWs) bands (ev): -46.7353 -46.7353 -23.4650 -23.4634 -22.8185 -22.8172 -22.8063 -22.8040 -15.1110 -15.1110 -6.7308 -6.7255 -6.3482 -6.3408 -6.3255 -6.3218 -1.9300 -1.8636 -0.1534 -0.1313 0.0625 0.1245 5.7487 5.7520 6.3376 6.3651 6.6174 6.6460 6.6967 6.7333 7.1979 7.2481 7.4876 7.4994 8.8761 8.8838 9.0624 9.0808 9.1812 9.1825 13.0876 13.1066 13.4603 13.4614 13.5823 13.5863 15.6266 15.6380 k = 0.5000 0.2765-0.2829 ( 2892 PWs) bands (ev): -46.7353 -46.7353 -23.4656 -23.4640 -22.8188 -22.8174 -22.8074 -22.8051 -15.1079 -15.1079 -6.7031 -6.6977 -6.3472 -6.3397 -6.3236 -6.3191 -1.9495 -1.8829 -0.1781 -0.1566 0.0321 0.0950 5.7377 5.7412 6.3372 6.3654 6.5970 6.6309 6.6698 6.7142 7.1903 7.2417 7.4642 7.4769 8.9059 8.9126 9.0886 9.1068 9.2125 9.2140 13.1337 13.1517 13.4817 13.4826 13.5990 13.6030 15.6844 15.6961 k = 0.5000 0.2855-0.2920 ( 2892 PWs) bands (ev): -46.7352 -46.7352 -23.4662 -23.4646 -22.8191 -22.8178 -22.8085 -22.8062 -15.1048 -15.1048 -6.6754 -6.6700 -6.3460 -6.3385 -6.3212 -6.3163 -1.9692 -1.9026 -0.2025 -0.1816 0.0008 0.0642 5.7258 5.7294 6.3351 6.3627 6.5798 6.6228 6.6422 6.6976 7.1831 7.2356 7.4433 7.4568 8.9377 8.9435 9.1145 9.1323 9.2423 9.2442 13.1785 13.1956 13.5038 13.5045 13.6161 13.6199 15.7380 15.7503 k = 0.5000 0.2945-0.3010 ( 2890 PWs) bands (ev): -46.7352 -46.7352 -23.4668 -23.4652 -22.8194 -22.8180 -22.8095 -22.8073 -15.1018 -15.1018 -6.6478 -6.6425 -6.3446 -6.3371 -6.3185 -6.3133 -1.9891 -1.9226 -0.2265 -0.2063 -0.0314 0.0322 5.7131 5.7166 6.3303 6.3559 6.5644 6.6137 6.6229 6.6856 7.1763 7.2297 7.4253 7.4394 8.9712 8.9761 9.1402 9.1575 9.2706 9.2730 13.2219 13.2381 13.5265 13.5271 13.6334 13.6371 15.7867 15.7998 k = 0.5000 0.3035-0.3101 ( 2894 PWs) bands (ev): -46.7351 -46.7351 -23.4674 -23.4658 -22.8197 -22.8183 -22.8106 -22.8084 -15.0988 -15.0988 -6.6205 -6.6153 -6.3428 -6.3354 -6.3156 -6.3103 -2.0090 -1.9430 -0.2501 -0.2305 -0.0642 -0.0006 5.6995 5.7029 6.3223 6.3449 6.5483 6.5845 6.6308 6.6808 7.1701 7.2243 7.4101 7.4245 9.0059 9.0101 9.1657 9.1824 9.2974 9.3003 13.2637 13.2789 13.5496 13.5502 13.6508 13.6544 15.8300 15.8441 k = 0.5000 0.3125-0.3191 ( 2900 PWs) bands (ev): -46.7351 -46.7351 -23.4679 -23.4664 -22.8200 -22.8187 -22.8116 -22.8095 -15.0959 -15.0959 -6.5936 -6.5884 -6.3407 -6.3334 -6.3125 -6.3072 -2.0289 -1.9635 -0.2731 -0.2542 -0.0974 -0.0341 5.6850 5.6882 6.3113 6.3306 6.5296 6.5547 6.6454 6.6851 7.1646 7.2195 7.3976 7.4122 9.0417 9.0451 9.1910 9.2070 9.3228 9.3262 13.3037 13.3180 13.5731 13.5738 13.6683 13.6717 15.8671 15.8826 k = 0.5000 0.3215-0.3282 ( 2904 PWs) bands (ev): -46.7351 -46.7351 -23.4685 -23.4670 -22.8202 -22.8190 -22.8126 -22.8105 -15.0931 -15.0931 -6.5670 -6.5621 -6.3382 -6.3310 -6.3094 -6.3042 -2.0486 -1.9841 -0.2956 -0.2773 -0.1307 -0.0681 5.6698 5.6727 6.2981 6.3143 6.5076 6.5245 6.6646 6.6983 7.1601 7.2155 7.3876 7.4022 9.0782 9.0809 9.2161 9.2314 9.3467 9.3505 13.3420 13.3552 13.5969 13.5977 13.6857 13.6889 15.8977 15.9149 k = 0.5000 0.3305-0.3372 ( 2904 PWs) bands (ev): -46.7350 -46.7350 -23.4690 -23.4675 -22.8205 -22.8192 -22.8135 -22.8115 -15.0903 -15.0903 -6.5411 -6.5363 -6.3354 -6.3284 -6.3062 -6.3011 -2.0681 -2.0047 -0.3174 -0.2998 -0.1639 -0.1023 5.6537 5.6565 6.2837 6.2972 6.4830 6.4941 6.6867 6.7187 7.1567 7.2127 7.3798 7.3943 9.1152 9.1172 9.2411 9.2556 9.3692 9.3734 13.3783 13.3905 13.6207 13.6217 13.7030 13.7060 15.9215 15.9407 k = 0.5000 0.3395-0.3462 ( 2904 PWs) bands (ev): -46.7350 -46.7350 -23.4695 -23.4681 -22.8207 -22.8195 -22.8145 -22.8125 -15.0877 -15.0877 -6.5157 -6.5111 -6.3323 -6.3255 -6.3030 -6.2981 -2.0873 -2.0253 -0.3384 -0.3216 -0.1968 -0.1364 5.6371 5.6396 6.2688 6.2800 6.4565 6.4638 6.7106 6.7440 7.1548 7.2114 7.3740 7.3884 9.1522 9.1536 9.2658 9.2796 9.3903 9.3949 13.4127 13.4238 13.6446 13.6458 13.7200 13.7229 15.9386 15.9599 k = 0.5000 0.3485-0.3553 ( 2908 PWs) bands (ev): -46.7350 -46.7350 -23.4700 -23.4686 -22.8209 -22.8198 -22.8154 -22.8135 -15.0852 -15.0851 -6.4911 -6.4868 -6.3290 -6.3224 -6.2997 -6.2951 -2.1060 -2.0457 -0.3586 -0.3426 -0.2292 -0.1703 5.6199 5.6221 6.2540 6.2635 6.4291 6.4337 6.7357 6.7720 7.1546 7.2117 7.3699 7.3841 9.1890 9.1898 9.2903 9.3034 9.4100 9.4150 13.4451 13.4551 13.6682 13.6696 13.7368 13.7395 15.9494 15.9729 k = 0.5000 0.3575-0.3643 ( 2908 PWs) bands (ev): -46.7349 -46.7349 -23.4704 -23.4691 -22.8211 -22.8201 -22.8162 -22.8144 -15.0827 -15.0827 -6.4673 -6.4633 -6.3255 -6.3191 -6.2965 -6.2922 -2.1242 -2.0658 -0.3780 -0.3627 -0.2608 -0.2037 5.6023 5.6043 6.2398 6.2479 6.4014 6.4042 6.7612 6.8008 7.1565 7.2139 7.3671 7.3812 9.2253 9.2257 9.3145 9.3269 9.4283 9.4336 13.4754 13.4843 13.6915 13.6931 13.7532 13.7557 15.9548 15.9803 k = 0.5000 0.3665-0.3734 ( 2904 PWs) bands (ev): -46.7349 -46.7349 -23.4709 -23.4696 -22.8213 -22.8203 -22.8170 -22.8153 -15.0804 -15.0804 -6.4444 -6.4408 -6.3219 -6.3157 -6.2933 -6.2893 -2.1418 -2.0855 -0.3964 -0.3820 -0.2913 -0.2363 5.5846 5.5862 6.2265 6.2334 6.3736 6.3756 6.7864 6.8292 7.1607 7.2181 7.3654 7.3795 9.2606 9.2612 9.3384 9.3501 9.4452 9.4510 13.5037 13.5116 13.7143 13.7160 13.7691 13.7715 15.9556 15.9830 k = 0.5000 0.3755-0.3824 ( 2904 PWs) bands (ev): -46.7349 -46.7349 -23.4713 -23.4701 -22.8215 -22.8205 -22.8177 -22.8161 -15.0782 -15.0782 -6.4226 -6.4195 -6.3181 -6.3122 -6.2901 -6.2865 -2.1586 -2.1047 -0.4138 -0.4002 -0.3206 -0.2680 5.5668 5.5682 6.2142 6.2202 6.3463 6.3481 6.8106 6.8560 7.1675 7.2244 7.3645 7.3788 9.2947 9.2958 9.3618 9.3729 9.4609 9.4671 13.5299 13.5369 13.7364 13.7381 13.7845 13.7867 15.9530 15.9821 k = 0.5000 0.3845-0.3915 ( 2908 PWs) bands (ev): -46.7348 -46.7348 -23.4717 -23.4706 -22.8217 -22.8208 -22.8184 -22.8169 -15.0762 -15.0761 -6.4018 -6.3993 -6.3144 -6.3087 -6.2870 -6.2837 -2.1746 -2.1234 -0.4301 -0.4175 -0.3486 -0.2986 5.5491 5.5503 6.2030 6.2082 6.3199 6.3217 6.8333 6.8802 7.1773 7.2325 7.3644 7.3788 9.3274 9.3292 9.3846 9.3952 9.4752 9.4819 13.5542 13.5603 13.7576 13.7593 13.7992 13.8012 15.9481 15.9785 k = 0.5000 0.3935-0.4005 ( 2912 PWs) bands (ev): -46.7348 -46.7348 -23.4720 -23.4710 -22.8219 -22.8210 -22.8191 -22.8177 -15.0742 -15.0742 -6.3823 -6.3805 -6.3108 -6.3051 -6.2839 -6.2810 -2.1896 -2.1414 -0.4454 -0.4337 -0.3749 -0.3278 5.5319 5.5329 6.1930 6.1975 6.2947 6.2967 6.8542 6.9013 7.1899 7.2424 7.3647 7.3794 9.3587 9.3610 9.4067 9.4169 9.4884 9.4956 13.5764 13.5817 13.7777 13.7794 13.8132 13.8150 15.9421 15.9734 k = 0.5000 0.4025-0.4096 ( 2910 PWs) bands (ev): -46.7348 -46.7348 -23.4723 -23.4714 -22.8220 -22.8212 -22.8197 -22.8184 -15.0724 -15.0724 -6.3641 -6.3631 -6.3072 -6.3014 -6.2808 -6.2784 -2.2036 -2.1585 -0.4594 -0.4487 -0.3994 -0.3555 5.5153 5.5161 6.1840 6.1880 6.2710 6.2731 6.8731 6.9189 7.2051 7.2537 7.3654 7.3805 9.3882 9.3911 9.4280 9.4379 9.5003 9.5081 13.5968 13.6013 13.7965 13.7982 13.8264 13.8281 15.9358 15.9676 k = 0.5000 0.4115-0.4186 ( 2914 PWs) bands (ev): -46.7348 -46.7348 -23.4726 -23.4718 -22.8222 -22.8214 -22.8202 -22.8191 -15.0708 -15.0708 -6.3476 -6.3472 -6.3039 -6.2977 -6.2779 -6.2758 -2.2164 -2.1748 -0.4723 -0.4626 -0.4219 -0.3815 5.4994 5.5001 6.1762 6.1796 6.2489 6.2511 6.8898 6.9332 7.2223 7.2659 7.3664 7.3819 9.4156 9.4190 9.4483 9.4580 9.5112 9.5196 13.6152 13.6190 13.8140 13.8156 13.8388 13.8403 15.9302 15.9620 k = 0.5000 0.4205-0.4276 ( 2910 PWs) bands (ev): -46.7347 -46.7347 -23.4729 -23.4721 -22.8222 -22.8216 -22.8207 -22.8197 -15.0693 -15.0693 -6.3338 -6.3319 -6.3008 -6.2936 -6.2750 -6.2732 -2.2280 -2.1901 -0.4839 -0.4753 -0.4424 -0.4057 5.4846 5.4851 6.1693 6.1723 6.2288 6.2309 6.9044 6.9444 7.2409 7.2786 7.3676 7.3834 9.4406 9.4446 9.4675 9.4769 9.5210 9.5301 13.6317 13.6349 13.8300 13.8315 13.8503 13.8516 15.9258 15.9572 k = 0.5000 0.4295-0.4367 ( 2910 PWs) bands (ev): -46.7347 -46.7347 -23.4731 -23.4724 -22.8224 -22.8218 -22.8211 -22.8202 -15.0680 -15.0680 -6.3222 -6.3184 -6.2978 -6.2892 -6.2722 -6.2707 -2.2383 -2.2042 -0.4943 -0.4868 -0.4607 -0.4278 5.4709 5.4713 6.1634 6.1660 6.2106 6.2125 6.9170 6.9529 7.2600 7.2913 7.3688 7.3851 9.4631 9.4675 9.4854 9.4945 9.5298 9.5397 13.6464 13.6490 13.8444 13.8456 13.8608 13.8619 15.9231 15.9535 k = 0.5000 0.4385-0.4457 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4733 -23.4727 -22.8224 -22.8219 -22.8214 -22.8207 -15.0668 -15.0668 -6.3130 -6.3069 -6.2948 -6.2843 -6.2696 -6.2682 -2.2472 -2.2172 -0.5033 -0.4969 -0.4767 -0.4478 5.4585 5.4588 6.1584 6.1606 6.1944 6.1962 6.9279 6.9592 7.2787 7.3034 7.3700 7.3866 9.4829 9.4875 9.5019 9.5105 9.5379 9.5484 13.6592 13.6613 13.8571 13.8581 13.8703 13.8712 15.9225 15.9512 k = 0.5000 0.4475-0.4548 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4735 -23.4729 -22.8225 -22.8221 -22.8217 -22.8211 -15.0658 -15.0658 -6.3063 -6.2990 -6.2903 -6.2791 -6.2671 -6.2657 -2.2546 -2.2288 -0.5109 -0.5058 -0.4904 -0.4656 5.4476 5.4478 6.1543 6.1561 6.1804 6.1820 6.9371 6.9636 7.2964 7.3146 7.3713 7.3879 9.4996 9.5044 9.5167 9.5242 9.5457 9.5563 13.6701 13.6719 13.8679 13.8687 13.8787 13.8793 15.9241 15.9500 k = 0.5000 0.4565-0.4638 ( 2890 PWs) bands (ev): -46.7347 -46.7347 -23.4735 -23.4731 -22.8225 -22.8222 -22.8218 -22.8214 -15.0649 -15.0649 -6.3014 -6.2953 -6.2839 -6.2743 -6.2645 -6.2632 -2.2604 -2.2391 -0.5171 -0.5132 -0.5016 -0.4811 5.4384 5.4385 6.1509 6.1524 6.1687 6.1701 6.9449 6.9666 7.3123 7.3245 7.3726 7.3888 9.5133 9.5182 9.5294 9.5352 9.5536 9.5634 13.6793 13.6806 13.8770 13.8775 13.8860 13.8864 15.9277 15.9495 k = 0.5000 0.4655-0.4729 ( 2886 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4732 -22.8225 -22.8222 -22.8219 -22.8217 -15.0642 -15.0642 -6.2980 -6.2936 -6.2777 -6.2706 -6.2617 -6.2608 -2.2647 -2.2479 -0.5218 -0.5192 -0.5104 -0.4941 5.4308 5.4309 6.1483 6.1494 6.1593 6.1604 6.9514 6.9682 7.3258 7.3327 7.3740 7.3891 9.5240 9.5289 9.5396 9.5431 9.5616 9.5696 13.6866 13.6877 13.8841 13.8844 13.8921 13.8923 15.9330 15.9488 k = 0.5000 0.4745-0.4819 ( 2878 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4734 -22.8225 -22.8223 -22.8220 -22.8219 -15.0637 -15.0637 -6.2956 -6.2927 -6.2730 -6.2683 -6.2590 -6.2585 -2.2674 -2.2552 -0.5251 -0.5237 -0.5167 -0.5047 5.4250 5.4251 6.1464 6.1472 6.1522 6.1530 6.9567 6.9688 7.3362 7.3393 7.3759 7.3886 9.5321 9.5364 9.5473 9.5487 9.5689 9.5746 13.6922 13.6929 13.8893 13.8895 13.8968 13.8969 15.9387 15.9472 k = 0.5000 0.4835-0.4910 ( 2876 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0634 -15.0634 -6.2940 -6.2922 -6.2699 -6.2672 -6.2568 -6.2566 -2.2684 -2.2610 -0.5271 -0.5267 -0.5204 -0.5127 5.4211 5.4211 6.1450 6.1454 6.1477 6.1481 6.9610 6.9684 7.3432 7.3439 7.3784 7.3872 9.5376 9.5406 9.5524 9.5527 9.5745 9.5779 13.6960 13.6964 13.8928 13.8928 13.9001 13.9001 15.9428 15.9454 k = 0.5000 0.4925-0.5000 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0632 -15.0632 -6.2929 -6.2923 -6.2680 -6.2671 -6.2555 -6.2555 -2.2677 -2.2651 -0.5281 -0.5281 -0.5210 -0.5182 5.4191 5.4191 6.1441 6.1441 6.1457 6.1458 6.9644 6.9670 7.3465 7.3465 7.3814 7.3848 9.5410 9.5421 9.5549 9.5549 9.5781 9.5792 13.6980 13.6981 13.8946 13.8946 13.9018 13.9018 15.9436 15.9548 k = 0.5050 0.4975 0.4899 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0632 -15.0632 -6.2929 -6.2923 -6.2680 -6.2671 -6.2555 -6.2555 -2.2677 -2.2651 -0.5281 -0.5281 -0.5210 -0.5182 5.4191 5.4191 6.1441 6.1441 6.1457 6.1458 6.9644 6.9670 7.3465 7.3465 7.3814 7.3848 9.5410 9.5421 9.5549 9.5549 9.5781 9.5792 13.6980 13.6981 13.8946 13.8946 13.9018 13.9018 15.9436 15.9437 k = 0.5000 0.4975 0.4950 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4736 -22.8224 -22.8224 -22.8222 -22.8222 -15.0632 -15.0632 -6.2925 -6.2925 -6.2674 -6.2674 -6.2554 -6.2554 -2.2667 -2.2667 -0.5283 -0.5283 -0.5201 -0.5201 5.4188 5.4188 6.1439 6.1439 6.1455 6.1455 6.9658 6.9658 7.3469 7.3469 7.3832 7.3832 9.5419 9.5419 9.5552 9.5552 9.5790 9.5790 13.6983 13.6983 13.8948 13.8948 13.9020 13.9020 15.9435 15.9436 k = 0.5000 0.4975 0.4950 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4736 -22.8224 -22.8224 -22.8222 -22.8222 -15.0632 -15.0632 -6.2925 -6.2925 -6.2674 -6.2674 -6.2554 -6.2554 -2.2667 -2.2667 -0.5283 -0.5283 -0.5201 -0.5201 5.4188 5.4188 6.1439 6.1439 6.1455 6.1455 6.9658 6.9658 7.3469 7.3469 7.3832 7.3832 9.5419 9.5419 9.5552 9.5552 9.5790 9.5790 13.6983 13.6983 13.8948 13.8948 13.9020 13.9020 15.9435 15.9435 k = 0.4925 0.4901 0.4876 ( 2878 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4736 -22.8225 -22.8225 -22.8221 -22.8221 -15.0632 -15.0632 -6.2933 -6.2933 -6.2678 -6.2678 -6.2555 -6.2555 -2.2658 -2.2658 -0.5276 -0.5276 -0.5187 -0.5187 5.4200 5.4200 6.1445 6.1445 6.1461 6.1462 6.9655 6.9655 7.3467 7.3469 7.3815 7.3815 9.5404 9.5404 9.5536 9.5537 9.5784 9.5784 13.6976 13.6976 13.8938 13.8940 13.9011 13.9011 15.9453 15.9458 k = 0.4851 0.4826 0.4802 ( 2884 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4736 -22.8224 -22.8224 -22.8221 -22.8221 -15.0635 -15.0635 -6.2956 -6.2956 -6.2689 -6.2689 -6.2560 -6.2560 -2.2633 -2.2633 -0.5256 -0.5255 -0.5145 -0.5145 5.4238 5.4238 6.1465 6.1465 6.1481 6.1483 6.9644 6.9644 7.3463 7.3465 7.3768 7.3768 9.5359 9.5359 9.5490 9.5491 9.5764 9.5764 13.6955 13.6955 13.8910 13.8914 13.8984 13.8984 15.9508 15.9519 k = 0.4776 0.4752 0.4728 ( 2890 PWs) bands (ev): -46.7347 -46.7347 -23.4735 -23.4735 -22.8224 -22.8224 -22.8220 -22.8220 -15.0640 -15.0640 -6.2996 -6.2996 -6.2705 -6.2705 -6.2568 -6.2568 -2.2592 -2.2592 -0.5221 -0.5221 -0.5076 -0.5076 5.4300 5.4300 6.1499 6.1499 6.1515 6.1517 6.9627 6.9627 7.3455 7.3458 7.3689 7.3689 9.5284 9.5284 9.5413 9.5415 9.5732 9.5732 13.6921 13.6921 13.8864 13.8870 13.8939 13.8939 15.9601 15.9619 k = 0.4701 0.4678 0.4654 ( 2902 PWs) bands (ev): -46.7347 -46.7347 -23.4734 -23.4734 -22.8223 -22.8223 -22.8219 -22.8219 -15.0646 -15.0646 -6.3054 -6.3054 -6.2725 -6.2725 -6.2579 -6.2579 -2.2535 -2.2535 -0.5174 -0.5174 -0.4980 -0.4980 5.4387 5.4387 6.1545 6.1545 6.1561 6.1565 6.9602 6.9602 7.3444 7.3449 7.3581 7.3581 9.5179 9.5179 9.5307 9.5310 9.5688 9.5688 13.6872 13.6872 13.8799 13.8807 13.8876 13.8876 15.9730 15.9753 k = 0.4627 0.4604 0.4580 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4733 -23.4733 -22.8222 -22.8222 -22.8217 -22.8217 -15.0654 -15.0654 -6.3130 -6.3130 -6.2748 -6.2748 -6.2593 -6.2593 -2.2462 -2.2462 -0.5113 -0.5113 -0.4858 -0.4858 5.4499 5.4499 6.1605 6.1605 6.1621 6.1626 6.9569 6.9569 7.3431 7.3436 7.3448 7.3448 9.5046 9.5046 9.5172 9.5176 9.5632 9.5632 13.6810 13.6810 13.8717 13.8727 13.8795 13.8795 15.9891 15.9920 k = 0.4552 0.4529 0.4507 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4731 -23.4731 -22.8219 -22.8219 -22.8215 -22.8215 -15.0664 -15.0664 -6.3225 -6.3225 -6.2773 -6.2773 -6.2610 -6.2610 -2.2374 -2.2374 -0.5039 -0.5039 -0.4710 -0.4710 5.4634 5.4634 6.1677 6.1677 6.1695 6.1700 6.9526 6.9526 7.3292 7.3292 7.3415 7.3422 9.4886 9.4886 9.5012 9.5016 9.5565 9.5565 13.6735 13.6735 13.8618 13.8630 13.8696 13.8696 16.0081 16.0116 k = 0.4478 0.4455 0.4433 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4729 -23.4729 -22.8217 -22.8217 -22.8212 -22.8212 -15.0675 -15.0675 -6.3339 -6.3339 -6.2799 -6.2799 -6.2630 -6.2630 -2.2272 -2.2272 -0.4952 -0.4952 -0.4536 -0.4536 5.4793 5.4793 6.1763 6.1763 6.1781 6.1787 6.9473 6.9473 7.3118 7.3118 7.3397 7.3405 9.4700 9.4700 9.4826 9.4832 9.5487 9.5487 13.6646 13.6646 13.8500 13.8514 13.8580 13.8580 16.0294 16.0335 k = 0.4403 0.4381 0.4359 ( 2908 PWs) bands (ev): -46.7347 -46.7347 -23.4726 -23.4726 -22.8214 -22.8214 -22.8209 -22.8209 -15.0688 -15.0688 -6.3469 -6.3469 -6.2827 -6.2827 -6.2652 -6.2652 -2.2156 -2.2156 -0.4853 -0.4853 -0.4339 -0.4339 5.4975 5.4975 6.1861 6.1861 6.1880 6.1887 6.9408 6.9408 7.2930 7.2930 7.3377 7.3386 9.4490 9.4490 9.4618 9.4624 9.5398 9.5398 13.6545 13.6545 13.8366 13.8382 13.8447 13.8447 16.0524 16.0570 k = 0.4328 0.4307 0.4285 ( 2911 PWs) bands (ev): -46.7348 -46.7348 -23.4723 -23.4723 -22.8211 -22.8211 -22.8206 -22.8206 -15.0703 -15.0703 -6.3615 -6.3615 -6.2857 -6.2857 -6.2678 -6.2677 -2.2029 -2.2029 -0.4743 -0.4742 -0.4118 -0.4118 5.5178 5.5178 6.1971 6.1971 6.1992 6.2000 6.9329 6.9329 7.2735 7.2735 7.3355 7.3365 9.4259 9.4259 9.4390 9.4396 9.5298 9.5298 13.6430 13.6430 13.8214 13.8232 13.8296 13.8296 16.0765 16.0815 k = 0.4254 0.4232 0.4211 ( 2899 PWs) bands (ev): -46.7348 -46.7348 -23.4719 -23.4719 -22.8206 -22.8206 -22.8202 -22.8202 -15.0720 -15.0720 -6.3775 -6.3775 -6.2888 -6.2888 -6.2705 -6.2705 -2.1889 -2.1889 -0.4621 -0.4620 -0.3876 -0.3876 5.5402 5.5402 6.2094 6.2094 6.2116 6.2126 6.9234 6.9234 7.2538 7.2538 7.3331 7.3343 9.4009 9.4009 9.4144 9.4151 9.5188 9.5188 13.6303 13.6303 13.8046 13.8066 13.8129 13.8129 16.1008 16.1063 k = 0.4179 0.4158 0.4137 ( 2899 PWs) bands (ev): -46.7348 -46.7348 -23.4716 -23.4716 -22.8202 -22.8202 -22.8198 -22.8198 -15.0738 -15.0738 -6.3949 -6.3949 -6.2922 -6.2922 -6.2735 -6.2735 -2.1740 -2.1740 -0.4488 -0.4487 -0.3614 -0.3614 5.5646 5.5646 6.2229 6.2229 6.2253 6.2263 6.9122 6.9122 7.2345 7.2345 7.3306 7.3319 9.3742 9.3742 9.3882 9.3889 9.5069 9.5069 13.6164 13.6164 13.7861 13.7883 13.7946 13.7946 16.1246 16.1305 k = 0.4104 0.4084 0.4063 ( 2899 PWs) bands (ev): -46.7348 -46.7348 -23.4712 -23.4712 -22.8198 -22.8198 -22.8193 -22.8193 -15.0758 -15.0758 -6.4135 -6.4135 -6.2958 -6.2958 -6.2768 -6.2768 -2.1581 -2.1581 -0.4344 -0.4344 -0.3333 -0.3333 5.5909 5.5909 6.2376 6.2376 6.2401 6.2413 6.8993 6.8993 7.2163 7.2163 7.3280 7.3295 9.3460 9.3460 9.3607 9.3615 9.4939 9.4939 13.6012 13.6012 13.7661 13.7684 13.7747 13.7747 16.1469 16.1531 k = 0.4030 0.4010 0.3989 ( 2908 PWs) bands (ev): -46.7349 -46.7349 -23.4708 -23.4708 -22.8194 -22.8194 -22.8188 -22.8188 -15.0779 -15.0779 -6.4331 -6.4331 -6.2995 -6.2995 -6.2802 -6.2802 -2.1414 -2.1414 -0.4192 -0.4191 -0.3036 -0.3036 5.6188 5.6188 6.2533 6.2533 6.2561 6.2574 6.8845 6.8845 7.1996 7.1996 7.3254 7.3270 9.3167 9.3167 9.3322 9.3329 9.4799 9.4799 13.5849 13.5849 13.7444 13.7470 13.7532 13.7532 16.1665 16.1730 k = 0.3955 0.3935 0.3915 ( 2908 PWs) bands (ev): -46.7349 -46.7349 -23.4703 -23.4703 -22.8188 -22.8188 -22.8183 -22.8183 -15.0803 -15.0803 -6.4537 -6.4537 -6.3034 -6.3034 -6.2839 -6.2839 -2.1240 -2.1240 -0.4030 -0.4029 -0.2723 -0.2723 5.6483 5.6483 6.2702 6.2702 6.2732 6.2746 6.8682 6.8682 7.1849 7.1849 7.3228 7.3246 9.2864 9.2864 9.3029 9.3037 9.4651 9.4651 13.5674 13.5674 13.7213 13.7240 13.7302 13.7302 16.1827 16.1894 k = 0.3881 0.3861 0.3842 ( 2908 PWs) bands (ev): -46.7349 -46.7349 -23.4698 -23.4698 -22.8183 -22.8183 -22.8178 -22.8177 -15.0827 -15.0827 -6.4751 -6.4751 -6.3075 -6.3075 -6.2877 -6.2877 -2.1061 -2.1061 -0.3860 -0.3859 -0.2397 -0.2397 5.6791 5.6791 6.2881 6.2881 6.2914 6.2929 6.8506 6.8506 7.1724 7.1724 7.3202 7.3222 9.2555 9.2555 9.2731 9.2739 9.4494 9.4494 13.5487 13.5487 13.6966 13.6995 13.7058 13.7058 16.1947 16.2014 k = 0.3806 0.3787 0.3768 ( 2914 PWs) bands (ev): -46.7350 -46.7350 -23.4694 -23.4694 -22.8178 -22.8178 -22.8172 -22.8172 -15.0854 -15.0854 -6.4972 -6.4972 -6.3117 -6.3117 -6.2917 -6.2916 -2.0876 -2.0876 -0.3683 -0.3682 -0.2060 -0.2060 5.7110 5.7110 6.3071 6.3071 6.3106 6.3123 6.8323 6.8323 7.1622 7.1622 7.3178 7.3200 9.2241 9.2241 9.2430 9.2438 9.4329 9.4329 13.5290 13.5290 13.6706 13.6736 13.6799 13.6799 16.2015 16.2081 k = 0.3731 0.3713 0.3694 ( 2914 PWs) bands (ev): -46.7350 -46.7350 -23.4688 -23.4688 -22.8172 -22.8172 -22.8166 -22.8166 -15.0881 -15.0881 -6.5199 -6.5199 -6.3160 -6.3160 -6.2958 -6.2957 -2.0688 -2.0688 -0.3499 -0.3498 -0.1714 -0.1714 5.7437 5.7437 6.3270 6.3270 6.3309 6.3327 6.8139 6.8139 7.1543 7.1543 7.3155 7.3179 9.1925 9.1925 9.2129 9.2136 9.4156 9.4156 13.5081 13.5081 13.6431 13.6464 13.6526 13.6526 16.2027 16.2090 k = 0.3657 0.3638 0.3620 ( 2911 PWs) bands (ev): -46.7350 -46.7350 -23.4682 -23.4682 -22.8165 -22.8165 -22.8159 -22.8159 -15.0911 -15.0911 -6.5431 -6.5431 -6.3203 -6.3203 -6.3000 -6.3000 -2.0498 -2.0498 -0.3309 -0.3308 -0.1362 -0.1362 5.7769 5.7769 6.3479 6.3479 6.3521 6.3541 6.7964 6.7964 7.1486 7.1486 7.3135 7.3161 9.1609 9.1609 9.1829 9.1837 9.3975 9.3975 13.4861 13.4861 13.6144 13.6178 13.6241 13.6241 16.1979 16.2038 k = 0.3582 0.3564 0.3546 ( 2893 PWs) bands (ev): -46.7351 -46.7351 -23.4676 -23.4676 -22.8157 -22.8157 -22.8152 -22.8152 -15.0941 -15.0941 -6.5665 -6.5665 -6.3248 -6.3248 -6.3043 -6.3043 -2.0307 -2.0307 -0.3114 -0.3113 -0.1005 -0.1005 5.8103 5.8103 6.3696 6.3696 6.3743 6.3765 6.7805 6.7805 7.1449 7.1449 7.3118 7.3147 9.1296 9.1296 9.1534 9.1542 9.3788 9.3788 13.4630 13.4630 13.5844 13.5879 13.5943 13.5943 16.1869 16.1924 k = 0.3507 0.3490 0.3472 ( 2905 PWs) bands (ev): -46.7351 -46.7351 -23.4670 -23.4670 -22.8151 -22.8151 -22.8145 -22.8145 -15.0974 -15.0974 -6.5902 -6.5902 -6.3294 -6.3294 -6.3087 -6.3087 -2.0115 -2.0115 -0.2915 -0.2914 -0.0648 -0.0648 5.8434 5.8434 6.3922 6.3922 6.3973 6.3997 6.7672 6.7672 7.1432 7.1432 7.3106 7.3137 9.0987 9.0987 9.1245 9.1252 9.3594 9.3594 13.4389 13.4389 13.5532 13.5569 13.5634 13.5634 16.1700 16.1749 k = 0.3433 0.3416 0.3398 ( 2905 PWs) bands (ev): -46.7352 -46.7352 -23.4664 -23.4664 -22.8144 -22.8144 -22.8138 -22.8138 -15.1007 -15.1007 -6.6141 -6.6141 -6.3339 -6.3339 -6.3132 -6.3132 -1.9924 -1.9924 -0.2713 -0.2712 -0.0291 -0.0291 5.8760 5.8760 6.4156 6.4156 6.4212 6.4237 6.7573 6.7573 7.1432 7.1432 7.3098 7.3132 9.0685 9.0685 9.0965 9.0971 9.3395 9.3395 13.4138 13.4138 13.5208 13.5247 13.5313 13.5313 16.1473 16.1516 k = 0.3358 0.3341 0.3324 ( 2899 PWs) bands (ev): -46.7352 -46.7352 -23.4657 -23.4657 -22.8136 -22.8136 -22.8130 -22.8130 -15.1042 -15.1042 -6.6379 -6.6379 -6.3385 -6.3385 -6.3178 -6.3177 -1.9735 -1.9735 -0.2508 -0.2507 0.0063 0.0063 5.9075 5.9075 6.4398 6.4398 6.4458 6.4486 6.7517 6.7517 7.1449 7.1449 7.3097 7.3133 9.0390 9.0390 9.0694 9.0700 9.3190 9.3190 13.3876 13.3876 13.4874 13.4914 13.4982 13.4982 16.1192 16.1231 k = 0.3284 0.3267 0.3251 ( 2893 PWs) bands (ev): -46.7352 -46.7352 -23.4650 -23.4650 -22.8129 -22.8129 -22.8122 -22.8122 -15.1078 -15.1078 -6.6616 -6.6616 -6.3431 -6.3431 -6.3223 -6.3223 -1.9549 -1.9549 -0.2302 -0.2301 0.0411 0.0411 5.9376 5.9376 6.4647 6.4647 6.4712 6.4742 6.7512 6.7512 7.1483 7.1483 7.3102 7.3141 9.0106 9.0106 9.0434 9.0440 9.2980 9.2980 13.3605 13.3605 13.4530 13.4571 13.4641 13.4641 16.0862 16.0894 k = 0.3209 0.3193 0.3177 ( 2887 PWs) bands (ev): -46.7353 -46.7353 -23.4643 -23.4643 -22.8121 -22.8121 -22.8114 -22.8114 -15.1115 -15.1115 -6.6852 -6.6852 -6.3477 -6.3477 -6.3269 -6.3269 -1.9366 -1.9366 -0.2096 -0.2095 0.0750 0.0750 5.9661 5.9661 6.4902 6.4902 6.4973 6.5005 6.7564 6.7564 7.1532 7.1532 7.3114 7.3157 8.9833 8.9833 9.0187 9.0192 9.2765 9.2765 13.3324 13.3324 13.4177 13.4219 13.4291 13.4291 16.0489 16.0510 k = 0.3134 0.3119 0.3103 ( 2887 PWs) bands (ev): -46.7353 -46.7353 -23.4636 -23.4636 -22.8113 -22.8113 -22.8106 -22.8106 -15.1154 -15.1154 -6.7085 -6.7085 -6.3522 -6.3522 -6.3315 -6.3315 -1.9189 -1.9189 -0.1890 -0.1889 0.1079 0.1079 5.9928 5.9928 6.5164 6.5164 6.5240 6.5274 6.7678 6.7678 7.1596 7.1596 7.3136 7.3182 8.9572 8.9572 8.9955 8.9959 9.2547 9.2547 13.3034 13.3034 13.3815 13.3859 13.3932 13.3932 16.0074 16.0083 k = 0.3060 0.3044 0.3029 ( 2881 PWs) bands (ev): -46.7354 -46.7354 -23.4628 -23.4628 -22.8104 -22.8104 -22.8097 -22.8097 -15.1194 -15.1194 -6.7314 -6.7314 -6.3567 -6.3567 -6.3361 -6.3360 -1.9016 -1.9016 -0.1685 -0.1684 0.1394 0.1394 6.0177 6.0177 6.5432 6.5432 6.5513 6.5550 6.7856 6.7856 7.1674 7.1674 7.3166 7.3216 8.9326 8.9326 8.9737 8.9741 9.2326 9.2326 13.2735 13.2735 13.3445 13.3490 13.3566 13.3566 15.9622 15.9622 k = 0.2985 0.2970 0.2955 ( 2899 PWs) bands (ev): -46.7354 -46.7354 -23.4622 -23.4622 -22.8097 -22.8097 -22.8089 -22.8089 -15.1235 -15.1235 -6.7539 -6.7539 -6.3611 -6.3611 -6.3406 -6.3406 -1.8850 -1.8850 -0.1483 -0.1482 0.1694 0.1694 6.0411 6.0411 6.5705 6.5705 6.5792 6.5832 6.8097 6.8097 7.1767 7.1767 7.3208 7.3260 8.9095 8.9095 8.9535 8.9538 9.2101 9.2101 13.2427 13.2427 13.3068 13.3115 13.3193 13.3193 15.9131 15.9131 k = 0.2910 0.2896 0.2881 ( 2884 PWs) bands (ev): -46.7355 -46.7355 -23.4614 -23.4614 -22.8088 -22.8088 -22.8080 -22.8080 -15.1276 -15.1276 -6.7759 -6.7759 -6.3655 -6.3655 -6.3451 -6.3451 -1.8691 -1.8691 -0.1284 -0.1282 0.1976 0.1976 6.0633 6.0633 6.5983 6.5983 6.6076 6.6119 6.8401 6.8401 7.1875 7.1875 7.3260 7.3316 8.8881 8.8881 8.9351 8.9353 9.1875 9.1875 13.2110 13.2110 13.2685 13.2732 13.2815 13.2815 15.8614 15.8614 k = 0.2836 0.2822 0.2807 ( 2884 PWs) bands (ev): -46.7355 -46.7355 -23.4606 -23.4606 -22.8080 -22.8080 -22.8072 -22.8072 -15.1319 -15.1319 -6.7973 -6.7973 -6.3697 -6.3697 -6.3495 -6.3495 -1.8539 -1.8539 -0.1088 -0.1087 0.2240 0.2240 6.0849 6.0849 6.6266 6.6266 6.6366 6.6411 6.8763 6.8763 7.1998 7.1998 7.3324 7.3383 8.8684 8.8684 8.9184 8.9185 9.1647 9.1647 13.1786 13.1786 13.2296 13.2345 13.2431 13.2431 15.8073 15.8073 k = 0.2761 0.2747 0.2733 ( 2884 PWs) bands (ev): -46.7356 -46.7356 -23.4598 -23.4598 -22.8071 -22.8071 -22.8063 -22.8063 -15.1363 -15.1363 -6.8181 -6.8181 -6.3738 -6.3738 -6.3539 -6.3538 -1.8396 -1.8396 -0.0897 -0.0896 0.2482 0.2482 6.1065 6.1065 6.6553 6.6553 6.6659 6.6707 6.9178 6.9178 7.2134 7.2134 7.3401 7.3464 8.8504 8.8504 8.9035 8.9036 9.1417 9.1417 13.1455 13.1455 13.1902 13.1952 13.2043 13.2043 15.7512 15.7512 k = 0.2687 0.2673 0.2660 ( 2866 PWs) bands (ev): -46.7356 -46.7356 -23.4590 -23.4590 -22.8061 -22.8061 -22.8053 -22.8053 -15.1407 -15.1407 -6.8383 -6.8383 -6.3778 -6.3778 -6.3581 -6.3581 -1.8261 -1.8261 -0.0712 -0.0710 0.2702 0.2702 6.1286 6.1286 6.6843 6.6843 6.6958 6.7008 6.9641 6.9641 7.2285 7.2285 7.3491 7.3557 8.8344 8.8344 8.8904 8.8904 9.1188 9.1188 13.1116 13.1116 13.1505 13.1556 13.1651 13.1651 15.6934 15.6934 k = 0.2612 0.2599 0.2586 ( 2860 PWs) bands (ev): -46.7357 -46.7357 -23.4582 -23.4582 -22.8052 -22.8052 -22.8044 -22.8044 -15.1453 -15.1453 -6.8577 -6.8577 -6.3817 -6.3817 -6.3623 -6.3622 -1.8136 -1.8136 -0.0532 -0.0531 0.2899 0.2899 6.1519 6.1519 6.7137 6.7137 6.7260 6.7313 7.0147 7.0147 7.2450 7.2450 7.3594 7.3664 8.8202 8.8202 8.8792 8.8792 9.0957 9.0957 13.0772 13.0772 13.1104 13.1156 13.1257 13.1257 15.6340 15.6340 k = 0.2537 0.2525 0.2512 ( 2869 PWs) bands (ev): -46.7357 -46.7357 -23.4574 -23.4574 -22.8044 -22.8044 -22.8036 -22.8035 -15.1499 -15.1499 -6.8763 -6.8763 -6.3854 -6.3854 -6.3663 -6.3663 -1.8020 -1.8020 -0.0360 -0.0358 0.3072 0.3072 6.1767 6.1767 6.7434 6.7434 6.7566 6.7622 7.0689 7.0689 7.2630 7.2630 7.3712 7.3785 8.8080 8.8080 8.8698 8.8699 9.0728 9.0728 13.0421 13.0421 13.0700 13.0754 13.0861 13.0861 15.5733 15.5735 k = 0.2463 0.2450 0.2438 ( 2869 PWs) bands (ev): -46.7358 -46.7358 -23.4566 -23.4566 -22.8035 -22.8035 -22.8027 -22.8027 -15.1545 -15.1545 -6.8942 -6.8942 -6.3890 -6.3890 -6.3703 -6.3702 -1.7914 -1.7914 -0.0194 -0.0193 0.3220 0.3220 6.2035 6.2035 6.7732 6.7732 6.7875 6.7934 7.1263 7.1263 7.2823 7.2823 7.3843 7.3920 8.7978 8.7978 8.8623 8.8624 9.0499 9.0499 13.0065 13.0065 13.0295 13.0350 13.0465 13.0465 15.5115 15.5115 k = 0.2388 0.2376 0.2364 ( 2875 PWs) bands (ev): -46.7358 -46.7358 -23.4559 -23.4559 -22.8027 -22.8027 -22.8018 -22.8018 -15.1592 -15.1592 -6.9112 -6.9112 -6.3925 -6.3925 -6.3741 -6.3741 -1.7818 -1.7818 -0.0037 -0.0035 0.3343 0.3343 6.2326 6.2326 6.8033 6.8033 6.8188 6.8250 7.1865 7.1865 7.3031 7.3031 7.3989 7.4069 8.7896 8.7896 8.8567 8.8569 9.0271 9.0271 12.9705 12.9705 12.9890 12.9945 13.0069 13.0069 15.4487 15.4487 k = 0.2313 0.2302 0.2290 ( 2878 PWs) bands (ev): -46.7359 -46.7359 -23.4551 -23.4551 -22.8018 -22.8018 -22.8009 -22.8009 -15.1640 -15.1640 -6.9274 -6.9274 -6.3957 -6.3957 -6.3778 -6.3778 -1.7732 -1.7732 0.0113 0.0114 0.3441 0.3441 6.2641 6.2641 6.8334 6.8334 6.8504 6.8568 7.2489 7.2489 7.3254 7.3254 7.4149 7.4232 8.7834 8.7834 8.8529 8.8532 9.0046 9.0046 12.9341 12.9341 12.9483 12.9539 12.9673 12.9673 15.3853 15.3853 k = 0.2239 0.2228 0.2216 ( 2872 PWs) bands (ev): -46.7359 -46.7359 -23.4543 -23.4543 -22.8009 -22.8009 -22.8000 -22.8000 -15.1688 -15.1688 -6.9428 -6.9428 -6.3988 -6.3988 -6.3813 -6.3813 -1.7657 -1.7657 0.0254 0.0255 0.3514 0.3514 6.2982 6.2982 6.8635 6.8635 6.8823 6.8889 7.3130 7.3130 7.3496 7.3496 7.4324 7.4410 8.7792 8.7792 8.8510 8.8513 8.9822 8.9822 12.8974 12.8974 12.9078 12.9135 12.9281 12.9281 15.3213 15.3213 k = 0.2164 0.2153 0.2142 ( 2872 PWs) bands (ev): -46.7360 -46.7360 -23.4535 -23.4535 -22.8000 -22.8000 -22.7991 -22.7991 -15.1736 -15.1736 -6.9572 -6.9572 -6.4017 -6.4017 -6.3847 -6.3847 -1.7592 -1.7592 0.0386 0.0387 0.3564 0.3564 6.3348 6.3348 6.8935 6.8935 6.9143 6.9211 7.3691 7.3691 7.3848 7.3848 7.4514 7.4602 8.7770 8.7770 8.8508 8.8512 8.9602 8.9602 12.8604 12.8604 12.8674 12.8731 12.8891 12.8891 15.2570 15.2570 k = 0.2090 0.2079 0.2069 ( 2875 PWs) bands (ev): -46.7361 -46.7361 -23.4528 -23.4528 -22.7992 -22.7992 -22.7982 -22.7982 -15.1784 -15.1784 -6.9708 -6.9708 -6.4045 -6.4045 -6.3880 -6.3880 -1.7537 -1.7537 0.0509 0.0511 0.3591 0.3591 6.3739 6.3739 6.9234 6.9234 6.9465 6.9535 7.3984 7.3984 7.4496 7.4496 7.4718 7.4808 8.7767 8.7767 8.8524 8.8528 8.9384 8.9384 12.8232 12.8232 12.8271 12.8329 12.8506 12.8506 15.1924 15.1924 k = 0.2015 0.2005 0.1995 ( 2875 PWs) bands (ev): -46.7361 -46.7361 -23.4520 -23.4520 -22.7983 -22.7983 -22.7974 -22.7974 -15.1832 -15.1832 -6.9835 -6.9835 -6.4071 -6.4071 -6.3911 -6.3911 -1.7493 -1.7493 0.0623 0.0625 0.3597 0.3597 6.4153 6.4153 6.9530 6.9530 6.9787 6.9859 7.4265 7.4265 7.4936 7.5028 7.5183 7.5183 8.7782 8.7782 8.8557 8.8561 8.9170 8.9170 12.7860 12.7860 12.7872 12.7931 12.8126 12.8126 15.1278 15.1278 k = 0.1940 0.1931 0.1921 ( 2869 PWs) bands (ev): -46.7361 -46.7361 -23.4513 -23.4513 -22.7974 -22.7974 -22.7965 -22.7965 -15.1880 -15.1880 -6.9953 -6.9953 -6.4095 -6.4095 -6.3941 -6.3941 -1.7458 -1.7458 0.0728 0.0730 0.3582 0.3582 6.4589 6.4589 6.9822 6.9822 7.0109 7.0181 7.4558 7.4558 7.5169 7.5263 7.5883 7.5883 8.7816 8.7816 8.8605 8.8609 8.8961 8.8961 12.7476 12.7487 12.7487 12.7535 12.7752 12.7752 15.0634 15.0634 k = 0.1866 0.1856 0.1847 ( 2869 PWs) bands (ev): -46.7362 -46.7362 -23.4505 -23.4505 -22.7966 -22.7966 -22.7957 -22.7957 -15.1927 -15.1927 -7.0063 -7.0063 -6.4117 -6.4117 -6.3969 -6.3969 -1.7433 -1.7433 0.0824 0.0826 0.3548 0.3548 6.5045 6.5045 7.0109 7.0109 7.0429 7.0502 7.4864 7.4864 7.5417 7.5511 7.6591 7.6591 8.7867 8.7867 8.8669 8.8673 8.8756 8.8756 12.7084 12.7116 12.7116 12.7143 12.7386 12.7386 14.9992 14.9992 k = 0.1791 0.1782 0.1773 ( 2881 PWs) bands (ev): -46.7363 -46.7363 -23.4499 -23.4499 -22.7958 -22.7958 -22.7949 -22.7949 -15.1975 -15.1975 -7.0164 -7.0164 -6.4138 -6.4138 -6.3996 -6.3995 -1.7417 -1.7417 0.0911 0.0912 0.3496 0.3496 6.5516 6.5516 7.0390 7.0390 7.0746 7.0819 7.5184 7.5184 7.5680 7.5774 7.7305 7.7305 8.7934 8.7934 8.8556 8.8556 8.8747 8.8751 12.6697 12.6746 12.6746 12.6756 12.7028 12.7028 14.9355 14.9355 k = 0.1716 0.1708 0.1699 ( 2875 PWs) bands (ev): -46.7363 -46.7363 -23.4491 -23.4491 -22.7950 -22.7950 -22.7941 -22.7940 -15.2022 -15.2022 -7.0257 -7.0257 -6.4157 -6.4157 -6.4021 -6.4020 -1.7410 -1.7410 0.0989 0.0991 0.3429 0.3429 6.6002 6.6002 7.0663 7.0663 7.1058 7.1131 7.5518 7.5518 7.5958 7.6051 7.8022 7.8022 8.8015 8.8015 8.8363 8.8363 8.8838 8.8841 12.6315 12.6374 12.6379 12.6379 12.6679 12.6679 14.8724 14.8724 k = 0.1642 0.1634 0.1625 ( 2881 PWs) bands (ev): -46.7363 -46.7363 -23.4485 -23.4485 -22.7942 -22.7942 -22.7933 -22.7933 -15.2068 -15.2068 -7.0343 -7.0343 -6.4174 -6.4174 -6.4044 -6.4044 -1.7412 -1.7412 0.1059 0.1060 0.3349 0.3349 6.6497 6.6497 7.0927 7.0927 7.1363 7.1435 7.5866 7.5866 7.6250 7.6343 7.8740 7.8740 8.8097 8.8097 8.8188 8.8188 8.8940 8.8944 12.5939 12.5999 12.6015 12.6015 12.6340 12.6340 14.8102 14.8106 k = 0.1567 0.1559 0.1551 ( 2881 PWs) bands (ev): -46.7364 -46.7364 -23.4478 -23.4478 -22.7934 -22.7934 -22.7925 -22.7925 -15.2113 -15.2113 -7.0420 -7.0420 -6.4190 -6.4190 -6.4066 -6.4066 -1.7421 -1.7421 0.1120 0.1122 0.3256 0.3256 6.6998 6.6998 7.1182 7.1182 7.1661 7.1731 7.6227 7.6227 7.6558 7.6649 7.9457 7.9457 8.7980 8.7980 8.8231 8.8231 8.9053 8.9057 12.5570 12.5629 12.5657 12.5657 12.6012 12.6012 14.7488 14.7488 k = 0.1493 0.1485 0.1478 ( 2881 PWs) bands (ev): -46.7364 -46.7364 -23.4471 -23.4471 -22.7927 -22.7927 -22.7918 -22.7918 -15.2157 -15.2157 -7.0490 -7.0490 -6.4205 -6.4205 -6.4087 -6.4087 -1.7437 -1.7437 0.1174 0.1175 0.3153 0.3153 6.7502 6.7502 7.1427 7.1427 7.1948 7.2016 7.6601 7.6601 7.6880 7.6969 8.0170 8.0170 8.7806 8.7806 8.8349 8.8349 8.9175 8.9179 12.5208 12.5268 12.5304 12.5304 12.5696 12.5696 14.6885 14.6890 k = 0.1418 0.1411 0.1404 ( 2881 PWs) bands (ev): -46.7365 -46.7365 -23.4465 -23.4465 -22.7919 -22.7919 -22.7911 -22.7911 -15.2201 -15.2201 -7.0552 -7.0552 -6.4218 -6.4218 -6.4106 -6.4106 -1.7459 -1.7459 0.1220 0.1222 0.3043 0.3043 6.8003 6.8003 7.1662 7.1662 7.2225 7.2290 7.6986 7.6986 7.7216 7.7302 8.0878 8.0878 8.7636 8.7636 8.8478 8.8478 8.9305 8.9308 12.4855 12.4914 12.4959 12.4959 12.5392 12.5392 14.6296 14.6305 k = 0.1343 0.1337 0.1330 ( 2881 PWs) bands (ev): -46.7365 -46.7365 -23.4459 -23.4459 -22.7912 -22.7912 -22.7904 -22.7904 -15.2243 -15.2243 -7.0608 -7.0608 -6.4229 -6.4229 -6.4124 -6.4124 -1.7487 -1.7487 0.1260 0.1261 0.2926 0.2926 6.8499 6.8499 7.1886 7.1886 7.2488 7.2550 7.7381 7.7381 7.7566 7.7647 8.1577 8.1577 8.7472 8.7472 8.8615 8.8615 8.9441 8.9443 12.4510 12.4568 12.4620 12.4620 12.5103 12.5103 14.5720 14.5720 k = 0.1269 0.1262 0.1256 ( 2881 PWs) bands (ev): -46.7366 -46.7366 -23.4453 -23.4453 -22.7906 -22.7906 -22.7897 -22.7897 -15.2284 -15.2284 -7.0658 -7.0658 -6.4239 -6.4239 -6.4140 -6.4140 -1.7520 -1.7520 0.1293 0.1294 0.2805 0.2805 6.8985 6.8985 7.2101 7.2101 7.2737 7.2796 7.7784 7.7784 7.7926 7.8003 8.2265 8.2265 8.7316 8.7316 8.8759 8.8759 8.9581 8.9583 12.4175 12.4232 12.4290 12.4290 12.4828 12.4828 14.5161 14.5161 k = 0.1194 0.1188 0.1182 ( 2879 PWs) bands (ev): -46.7366 -46.7366 -23.4447 -23.4447 -22.7899 -22.7899 -22.7891 -22.7891 -15.2323 -15.2323 -7.0701 -7.0701 -6.4248 -6.4248 -6.4155 -6.4155 -1.7556 -1.7556 0.1320 0.1321 0.2681 0.2681 6.9457 6.9457 7.2306 7.2306 7.2972 7.3026 7.8192 7.8192 7.8296 7.8369 8.2938 8.2938 8.7167 8.7167 8.8907 8.8907 8.9723 8.9725 12.3850 12.3907 12.3970 12.3970 12.4569 12.4569 14.4621 14.4637 k = 0.1119 0.1114 0.1108 ( 2879 PWs) bands (ev): -46.7366 -46.7366 -23.4442 -23.4442 -22.7893 -22.7893 -22.7885 -22.7885 -15.2361 -15.2361 -7.0740 -7.0740 -6.4256 -6.4256 -6.4169 -6.4169 -1.7596 -1.7596 0.1342 0.1343 0.2555 0.2555 6.9910 6.9910 7.2504 7.2504 7.3190 7.3241 7.8603 7.8603 7.8673 7.8740 8.3595 8.3595 8.7026 8.7026 8.9058 8.9058 8.9866 8.9868 12.3537 12.3592 12.3660 12.3660 12.4326 12.4326 14.4099 14.4099 k = 0.1045 0.1040 0.1034 ( 2894 PWs) bands (ev): -46.7367 -46.7367 -23.4437 -23.4437 -22.7887 -22.7887 -22.7880 -22.7880 -15.2397 -15.2397 -7.0773 -7.0773 -6.4263 -6.4263 -6.4182 -6.4182 -1.7639 -1.7639 0.1359 0.1360 0.2431 0.2431 7.0339 7.0339 7.2695 7.2695 7.3394 7.3440 7.9014 7.9014 7.9053 7.9116 8.4230 8.4230 8.6892 8.6892 8.9209 8.9209 9.0009 9.0009 12.3236 12.3289 12.3361 12.3361 12.4099 12.4099 14.3599 14.3604 k = 0.0970 0.0965 0.0960 ( 2888 PWs) bands (ev): -46.7367 -46.7367 -23.4432 -23.4432 -22.7881 -22.7881 -22.7874 -22.7874 -15.2431 -15.2431 -7.0801 -7.0801 -6.4269 -6.4269 -6.4193 -6.4193 -1.7683 -1.7683 0.1372 0.1373 0.2308 0.2308 7.0741 7.0741 7.2882 7.2882 7.3581 7.3623 7.9422 7.9422 7.9435 7.9492 8.4842 8.4842 8.6767 8.6767 8.9360 8.9360 9.0148 9.0149 12.2948 12.2999 12.3075 12.3075 12.3890 12.3890 14.3122 14.3125 k = 0.0896 0.0891 0.0887 ( 2891 PWs) bands (ev): -46.7367 -46.7367 -23.4428 -23.4428 -22.7876 -22.7876 -22.7869 -22.7869 -15.2463 -15.2463 -7.0825 -7.0825 -6.4274 -6.4274 -6.4204 -6.4204 -1.7727 -1.7727 0.1382 0.1383 0.2189 0.2189 7.1110 7.1110 7.3066 7.3066 7.3752 7.3790 7.9813 7.9822 7.9822 7.9866 8.5426 8.5426 8.6651 8.6651 8.9507 8.9507 9.0283 9.0283 12.2674 12.2723 12.2802 12.2802 12.3699 12.3699 14.2671 14.2675 k = 0.0821 0.0817 0.0813 ( 2891 PWs) bands (ev): -46.7368 -46.7368 -23.4424 -23.4424 -22.7872 -22.7872 -22.7865 -22.7864 -15.2493 -15.2493 -7.0845 -7.0845 -6.4279 -6.4279 -6.4213 -6.4213 -1.7772 -1.7772 0.1388 0.1389 0.2075 0.2075 7.1442 7.1442 7.3249 7.3249 7.3908 7.3942 8.0184 8.0212 8.0212 8.0232 8.5979 8.5979 8.6543 8.6543 8.9651 8.9651 9.0412 9.0413 12.2415 12.2462 12.2543 12.2543 12.3526 12.3526 14.2247 14.2250 k = 0.0746 0.0743 0.0739 ( 2891 PWs) bands (ev): -46.7368 -46.7368 -23.4420 -23.4420 -22.7867 -22.7867 -22.7861 -22.7861 -15.2521 -15.2521 -7.0862 -7.0862 -6.4282 -6.4282 -6.4221 -6.4221 -1.7815 -1.7815 0.1392 0.1393 0.1967 0.1967 7.1736 7.1736 7.3433 7.3433 7.4049 7.4079 8.0544 8.0586 8.0588 8.0588 8.6441 8.6441 8.6499 8.6499 8.9788 8.9788 9.0534 9.0535 12.2173 12.2217 12.2301 12.2301 12.3370 12.3370 14.1852 14.1852 k = 0.0672 0.0668 0.0665 ( 2885 PWs) bands (ev): -46.7368 -46.7368 -23.4416 -23.4416 -22.7862 -22.7862 -22.7856 -22.7856 -15.2547 -15.2547 -7.0876 -7.0876 -6.4285 -6.4285 -6.4229 -6.4229 -1.7857 -1.7857 0.1394 0.1395 0.1865 0.1865 7.1989 7.1989 7.3617 7.3617 7.4175 7.4201 8.0888 8.0926 8.0945 8.0945 8.6353 8.6353 8.6975 8.6975 8.9920 8.9920 9.0647 9.0648 12.1949 12.1990 12.2076 12.2076 12.3232 12.3232 14.1487 14.1493 k = 0.0597 0.0594 0.0591 ( 2897 PWs) bands (ev): -46.7368 -46.7368 -23.4413 -23.4413 -22.7859 -22.7859 -22.7854 -22.7854 -15.2570 -15.2570 -7.0888 -7.0888 -6.4288 -6.4288 -6.4235 -6.4235 -1.7897 -1.7897 0.1394 0.1395 0.1772 0.1772 7.2202 7.2202 7.3799 7.3799 7.4286 7.4309 8.1212 8.1245 8.1279 8.1279 8.6272 8.6272 8.7411 8.7411 9.0043 9.0043 9.0750 9.0751 12.1744 12.1781 12.1869 12.1869 12.3111 12.3111 14.1155 14.1159 k = 0.0522 0.0520 0.0517 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4412 -23.4412 -22.7857 -22.7857 -22.7851 -22.7851 -15.2591 -15.2591 -7.0897 -7.0897 -6.4290 -6.4290 -6.4241 -6.4241 -1.7934 -1.7934 0.1393 0.1394 0.1688 0.1688 7.2377 7.2377 7.3974 7.3974 7.4384 7.4403 8.1511 8.1539 8.1586 8.1586 8.6200 8.6200 8.7801 8.7801 9.0157 9.0157 9.0843 9.0844 12.1559 12.1592 12.1683 12.1683 12.3006 12.3006 14.0857 14.0863 k = 0.0448 0.0446 0.0443 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4409 -23.4409 -22.7854 -22.7854 -22.7848 -22.7848 -15.2609 -15.2609 -7.0904 -7.0904 -6.4292 -6.4292 -6.4246 -6.4246 -1.7967 -1.7967 0.1392 0.1392 0.1613 0.1613 7.2519 7.2519 7.4138 7.4138 7.4467 7.4484 8.1781 8.1805 8.1862 8.1862 8.6137 8.6137 8.8141 8.8141 9.0262 9.0262 9.0924 9.0925 12.1396 12.1425 12.1518 12.1518 12.2918 12.2918 14.0597 14.0608 k = 0.0373 0.0371 0.0369 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4407 -23.4407 -22.7852 -22.7852 -22.7846 -22.7846 -15.2624 -15.2624 -7.0910 -7.0910 -6.4293 -6.4293 -6.4250 -6.4250 -1.7996 -1.7996 0.1390 0.1390 0.1549 0.1549 7.2632 7.2632 7.4285 7.4285 7.4538 7.4551 8.2018 8.2038 8.2103 8.2103 8.6084 8.6084 8.8430 8.8430 9.0356 9.0356 9.0993 9.0994 12.1256 12.1281 12.1375 12.1375 12.2845 12.2845 14.0371 14.0371 k = 0.0299 0.0297 0.0296 ( 2909 PWs) bands (ev): -46.7369 -46.7369 -23.4405 -23.4405 -22.7850 -22.7850 -22.7844 -22.7844 -15.2637 -15.2637 -7.0914 -7.0914 -6.4294 -6.4294 -6.4253 -6.4253 -1.8020 -1.8020 0.1388 0.1388 0.1495 0.1495 7.2720 7.2720 7.4412 7.4412 7.4595 7.4606 8.2218 8.2234 8.2307 8.2307 8.6041 8.6041 8.8666 8.8666 9.0437 9.0437 9.1049 9.1050 12.1140 12.1160 12.1257 12.1257 12.2787 12.2787 14.0185 14.0187 k = 0.0224 0.0223 0.0222 ( 2909 PWs) bands (ev): -46.7369 -46.7369 -23.4404 -23.4404 -22.7848 -22.7848 -22.7842 -22.7842 -15.2647 -15.2647 -7.0917 -7.0917 -6.4295 -6.4295 -6.4255 -6.4255 -1.8039 -1.8039 0.1386 0.1386 0.1453 0.1453 7.2785 7.2785 7.4514 7.4514 7.4640 7.4648 8.2378 8.2390 8.2468 8.2468 8.6007 8.6007 8.8848 8.8848 9.0504 9.0504 9.1094 9.1095 12.1049 12.1065 12.1164 12.1164 12.2742 12.2742 14.0043 14.0053 k = 0.0149 0.0149 0.0148 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4403 -23.4403 -22.7847 -22.7847 -22.7841 -22.7841 -15.2654 -15.2654 -7.0919 -7.0919 -6.4295 -6.4295 -6.4257 -6.4257 -1.8053 -1.8053 0.1384 0.1384 0.1423 0.1423 7.2830 7.2830 7.4589 7.4589 7.4672 7.4678 8.2495 8.2503 8.2585 8.2585 8.5983 8.5983 8.8978 8.8978 9.0554 9.0554 9.1125 9.1126 12.0985 12.0995 12.1096 12.1096 12.2711 12.2711 13.9935 13.9936 k = 0.0075 0.0074 0.0074 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4402 -23.4402 -22.7847 -22.7847 -22.7840 -22.7840 -15.2658 -15.2658 -7.0920 -7.0920 -6.4295 -6.4295 -6.4258 -6.4258 -1.8062 -1.8062 0.1383 0.1383 0.1405 0.1405 7.2857 7.2857 7.4635 7.4635 7.4692 7.4695 8.2566 8.2570 8.2657 8.2657 8.5968 8.5968 8.9055 8.9055 9.0585 9.0585 9.1144 9.1145 12.0947 12.0952 12.1056 12.1056 12.2692 12.2692 13.9874 13.9881 k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -46.7369 -46.7369 -23.4402 -23.4402 -22.7847 -22.7847 -22.7840 -22.7840 -15.2660 -15.2660 -7.0921 -7.0921 -6.4296 -6.4296 -6.4259 -6.4259 -1.8065 -1.8065 0.1383 0.1383 0.1399 0.1399 7.2865 7.2865 7.4650 7.4650 7.4700 7.4700 8.2592 8.2592 8.2680 8.2680 8.5963 8.5963 8.9080 8.9080 9.0595 9.0595 9.1151 9.1151 12.0936 12.0936 12.1042 12.1042 12.2686 12.2686 13.9852 13.9872 k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -46.7369 -46.7369 -23.4402 -23.4402 -22.7847 -22.7847 -22.7840 -22.7840 -15.2660 -15.2660 -7.0921 -7.0921 -6.4296 -6.4296 -6.4259 -6.4259 -1.8065 -1.8065 0.1383 0.1383 0.1399 0.1399 7.2865 7.2865 7.4650 7.4650 7.4700 7.4700 8.2592 8.2592 8.2680 8.2680 8.5963 8.5963 8.9080 8.9080 9.0595 9.0595 9.1151 9.1151 12.0936 12.0936 12.1042 12.1042 12.2686 12.2686 13.9851 13.9854 k = 0.0090-0.0000-0.0091 ( 2919 PWs) bands (ev): -46.7369 -46.7369 -23.4403 -23.4402 -22.7847 -22.7846 -22.7841 -22.7841 -15.2658 -15.2658 -7.0923 -7.0919 -6.4298 -6.4293 -6.4258 -6.4258 -1.8062 -1.8062 0.1387 0.1388 0.1398 0.1405 7.2827 7.2882 7.4603 7.4655 7.4693 7.4697 8.2576 8.2577 8.2655 8.2677 8.5939 8.5953 8.8904 8.9193 9.0456 9.0721 9.1163 9.1169 12.0938 12.0943 12.1039 12.1066 12.2680 12.2702 13.9868 13.9872 k = 0.0181-0.0001-0.0182 ( 2921 PWs) bands (ev): -46.7369 -46.7369 -23.4404 -23.4402 -22.7849 -22.7847 -22.7841 -22.7841 -15.2654 -15.2654 -7.0924 -7.0916 -6.4300 -6.4290 -6.4258 -6.4257 -1.8053 -1.8053 0.1392 0.1398 0.1406 0.1422 7.2768 7.2878 7.4519 7.4626 7.4667 7.4685 8.2526 8.2530 8.2607 8.2647 8.5881 8.5908 8.8682 8.9214 9.0343 9.0799 9.1190 9.1232 12.0928 12.0965 12.1077 12.1109 12.2685 12.2728 13.9898 13.9907 k = 0.0271-0.0001-0.0273 ( 2925 PWs) bands (ev): -46.7369 -46.7369 -23.4406 -23.4403 -22.7851 -22.7847 -22.7843 -22.7842 -15.2647 -15.2647 -7.0925 -7.0913 -6.4302 -6.4287 -6.4257 -6.4256 -1.8038 -1.8038 0.1397 0.1403 0.1433 0.1452 7.2686 7.2852 7.4398 7.4571 7.4617 7.4659 8.2432 8.2446 8.2542 8.2594 8.5793 8.5834 8.8427 8.9124 9.0283 9.0823 9.1226 9.1334 12.0905 12.0989 12.1155 12.1189 12.2702 12.2763 13.9949 13.9962 k = 0.0362-0.0002-0.0364 ( 2915 PWs) bands (ev): -46.7369 -46.7369 -23.4407 -23.4404 -22.7853 -22.7848 -22.7844 -22.7842 -15.2637 -15.2637 -7.0925 -7.0909 -6.4304 -6.4283 -6.4256 -6.4253 -1.8018 -1.8017 0.1402 0.1408 0.1473 0.1495 7.2579 7.2803 7.4244 7.4488 7.4550 7.4618 8.2297 8.2323 8.2462 8.2520 8.5681 8.5735 8.8144 8.8932 9.0269 9.0813 9.1266 9.1448 12.0878 12.1004 12.1266 12.1313 12.2732 12.2808 14.0019 14.0037 k = 0.0452-0.0002-0.0455 ( 2909 PWs) bands (ev): -46.7369 -46.7369 -23.4409 -23.4405 -22.7856 -22.7850 -22.7845 -22.7843 -15.2624 -15.2624 -7.0925 -7.0905 -6.4306 -6.4278 -6.4255 -6.4249 -1.7992 -1.7991 0.1408 0.1416 0.1524 0.1549 7.2445 7.2728 7.4059 7.4370 7.4474 7.4564 8.2124 8.2160 8.2360 8.2424 8.5552 8.5618 8.7840 8.8668 9.0274 9.0784 9.1306 9.1554 12.0853 12.1015 12.1410 12.1474 12.2775 12.2865 14.0108 14.0130 k = 0.0543-0.0003-0.0545 ( 2905 PWs) bands (ev): -46.7369 -46.7369 -23.4411 -23.4406 -22.7860 -22.7852 -22.7847 -22.7844 -15.2609 -15.2608 -7.0925 -7.0901 -6.4308 -6.4273 -6.4254 -6.4244 -1.7962 -1.7959 0.1415 0.1424 0.1585 0.1614 7.2282 7.2623 7.3847 7.4219 7.4390 7.4496 8.1917 8.1961 8.2235 8.2302 8.5414 8.5491 8.7517 8.8357 9.0277 9.0741 9.1341 9.1641 12.0836 12.1026 12.1586 12.1667 12.2834 12.2935 14.0214 14.0240 k = 0.0633-0.0003-0.0636 ( 2905 PWs) bands (ev): -46.7369 -46.7369 -23.4414 -23.4408 -22.7864 -22.7856 -22.7849 -22.7845 -15.2591 -15.2590 -7.0924 -7.0896 -6.4309 -6.4266 -6.4253 -6.4237 -1.7927 -1.7922 0.1423 0.1434 0.1657 0.1687 7.2088 7.2483 7.3612 7.4038 7.4300 7.4416 8.1678 8.1730 8.2082 8.2151 8.5275 8.5360 8.7178 8.8012 9.0267 9.0686 9.1367 9.1706 12.0829 12.1043 12.1790 12.1889 12.2909 12.3021 14.0336 14.0366 k = 0.0724-0.0004-0.0727 ( 2903 PWs) bands (ev): -46.7368 -46.7368 -23.4417 -23.4410 -22.7869 -22.7860 -22.7851 -22.7846 -15.2570 -15.2570 -7.0922 -7.0891 -6.4311 -6.4258 -6.4252 -6.4228 -1.7888 -1.7881 0.1433 0.1445 0.1738 0.1770 7.1860 7.2300 7.3361 7.3828 7.4204 7.4326 8.1410 8.1468 8.1902 8.1971 8.5141 8.5232 8.6827 8.7643 9.0242 9.0619 9.1380 9.1745 12.0835 12.1069 12.2018 12.2135 12.3003 12.3126 14.0471 14.0506 k = 0.0814-0.0004-0.0818 ( 2901 PWs) bands (ev): -46.7368 -46.7368 -23.4420 -23.4413 -22.7875 -22.7864 -22.7853 -22.7847 -15.2547 -15.2546 -7.0919 -7.0885 -6.4313 -6.4251 -6.4248 -6.4217 -1.7846 -1.7836 0.1444 0.1457 0.1828 0.1860 7.1598 7.2071 7.3098 7.3590 7.4106 7.4228 8.1114 8.1180 8.1694 8.1761 8.5018 8.5110 8.6468 8.7255 9.0200 9.0542 9.1377 9.1758 12.0858 12.1107 12.2265 12.2401 12.3120 12.3254 14.0620 14.0658 k = 0.0905-0.0005-0.0909 ( 2899 PWs) bands (ev): -46.7368 -46.7368 -23.4424 -23.4416 -22.7882 -22.7870 -22.7855 -22.7848 -15.2522 -15.2521 -7.0916 -7.0878 -6.4314 -6.4250 -6.4236 -6.4203 -1.7801 -1.7788 0.1456 0.1470 0.1924 0.1956 7.1301 7.1790 7.2827 7.3326 7.4005 7.4124 8.0792 8.0870 8.1458 8.1524 8.4907 8.4993 8.6107 8.6854 9.0142 9.0454 9.1357 9.1745 12.0900 12.1162 12.2526 12.2679 12.3265 12.3409 14.0778 14.0820 k = 0.0995-0.0005-0.1000 ( 2901 PWs) bands (ev): -46.7368 -46.7368 -23.4428 -23.4419 -22.7889 -22.7876 -22.7857 -22.7850 -15.2494 -15.2493 -7.0912 -7.0870 -6.4316 -6.4248 -6.4222 -6.4187 -1.7754 -1.7736 0.1469 0.1485 0.2027 0.2059 7.0971 7.1461 7.2548 7.3035 7.3904 7.4016 8.0447 8.0539 8.1198 8.1262 8.4805 8.4873 8.5756 8.6445 9.0069 9.0356 9.1319 9.1707 12.0963 12.1235 12.2793 12.2959 12.3447 12.3596 14.0946 14.0991 k = 0.1085-0.0005-0.1091 ( 2895 PWs) bands (ev): -46.7367 -46.7367 -23.4432 -23.4423 -22.7896 -22.7882 -22.7859 -22.7851 -15.2464 -15.2463 -7.0906 -7.0861 -6.4317 -6.4247 -6.4205 -6.4168 -1.7705 -1.7682 0.1484 0.1500 0.2134 0.2165 7.0609 7.1087 7.2256 7.2718 7.3803 7.3905 8.0081 8.0191 8.0916 8.0981 8.4699 8.4732 8.5441 8.6039 8.9983 9.0249 9.1263 9.1647 12.1048 12.1328 12.3062 12.3226 12.3679 12.3822 14.1120 14.1169 k = 0.1176-0.0006-0.1182 ( 2891 PWs) bands (ev): -46.7367 -46.7367 -23.4437 -23.4427 -22.7904 -22.7889 -22.7861 -22.7853 -15.2433 -15.2432 -7.0899 -7.0851 -6.4319 -6.4246 -6.4185 -6.4147 -1.7655 -1.7627 0.1499 0.1517 0.2244 0.2275 7.0219 7.0676 7.1947 7.2376 7.3702 7.3794 7.9697 7.9825 8.0617 8.0684 8.4497 8.4603 8.5208 8.5654 8.9885 9.0135 9.1191 9.1566 12.1157 12.1443 12.3327 12.3473 12.3966 12.4087 14.1300 14.1352 k = 0.1266-0.0006-0.1273 ( 2889 PWs) bands (ev): -46.7367 -46.7367 -23.4441 -23.4431 -22.7912 -22.7897 -22.7864 -22.7855 -15.2399 -15.2398 -7.0890 -7.0840 -6.4320 -6.4245 -6.4163 -6.4123 -1.7604 -1.7570 0.1515 0.1535 0.2355 0.2388 6.9802 7.0234 7.1618 7.2010 7.3601 7.3682 7.9297 7.9444 8.0304 8.0376 8.4189 8.4439 8.5073 8.5330 8.9776 9.0013 9.1105 9.1469 12.1289 12.1581 12.3589 12.3709 12.4296 12.4390 14.1483 14.1539 k = 0.1357-0.0007-0.1364 ( 2887 PWs) bands (ev): -46.7366 -46.7366 -23.4447 -23.4435 -22.7921 -22.7905 -22.7866 -22.7857 -15.2364 -15.2363 -7.0880 -7.0826 -6.4321 -6.4244 -6.4138 -6.4095 -1.7554 -1.7512 0.1532 0.1553 0.2464 0.2502 6.9363 6.9769 7.1266 7.1620 7.3500 7.3571 7.8883 7.9047 7.9983 8.0061 8.3825 8.4176 8.5006 8.5116 8.9657 8.9884 9.1007 9.1359 12.1446 12.1742 12.3852 12.3945 12.4655 12.4725 14.1669 14.1727 k = 0.1447-0.0007-0.1455 ( 2889 PWs) bands (ev): -46.7366 -46.7366 -23.4452 -23.4440 -22.7931 -22.7914 -22.7869 -22.7859 -15.2327 -15.2326 -7.0867 -7.0811 -6.4322 -6.4243 -6.4109 -6.4065 -1.7504 -1.7454 0.1549 0.1572 0.2572 0.2616 6.8906 6.9284 7.0892 7.1209 7.3397 7.3461 7.8455 7.8635 7.9659 7.9740 8.3435 8.3816 8.4972 8.5014 8.9527 8.9748 9.0903 9.1241 12.1627 12.1926 12.4119 12.4190 12.5031 12.5087 14.1854 14.1916 k = 0.1538-0.0008-0.1545 ( 2889 PWs) bands (ev): -46.7366 -46.7366 -23.4458 -23.4445 -22.7941 -22.7923 -22.7872 -22.7862 -15.2289 -15.2288 -7.0851 -7.0793 -6.4323 -6.4242 -6.4078 -6.4032 -1.7455 -1.7397 0.1567 0.1593 0.2675 0.2730 6.8433 6.8786 7.0496 7.0777 7.3292 7.3352 7.8017 7.8208 7.9334 7.9416 8.3035 8.3404 8.4952 8.4987 8.9386 8.9604 9.0797 9.1121 12.1831 12.2133 12.4394 12.4447 12.5419 12.5469 14.2040 14.2104 k = 0.1628-0.0008-0.1636 ( 2891 PWs) bands (ev): -46.7365 -46.7365 -23.4463 -23.4450 -22.7951 -22.7932 -22.7875 -22.7864 -15.2249 -15.2248 -7.0833 -7.0772 -6.4324 -6.4240 -6.4044 -6.3997 -1.7408 -1.7341 0.1584 0.1613 0.2773 0.2841 6.7948 6.8276 7.0080 7.0328 7.3185 7.3243 7.7566 7.7765 7.9012 7.9091 8.2635 8.2971 8.4949 8.4994 8.9234 8.9450 9.0695 9.1004 12.2059 12.2362 12.4678 12.4718 12.5816 12.5866 14.2222 14.2290 k = 0.1719-0.0009-0.1727 ( 2887 PWs) bands (ev): -46.7365 -46.7365 -23.4469 -23.4456 -22.7961 -22.7942 -22.7877 -22.7867 -15.2209 -15.2208 -7.0811 -7.0748 -6.4325 -6.4239 -6.4007 -6.3959 -1.7363 -1.7286 0.1602 0.1635 0.2864 0.2947 6.7455 6.7761 6.9645 6.9864 7.3076 7.3134 7.7105 7.7307 7.8695 7.8767 8.2241 8.2536 8.4964 8.5016 8.9070 8.9283 9.0603 9.0897 12.2308 12.2612 12.4972 12.5002 12.6219 12.6273 14.2402 14.2473 k = 0.1809-0.0009-0.1818 ( 2883 PWs) bands (ev): -46.7365 -46.7365 -23.4475 -23.4461 -22.7971 -22.7951 -22.7880 -22.7869 -15.2167 -15.2166 -7.0785 -7.0720 -6.4326 -6.4238 -6.3968 -6.3918 -1.7320 -1.7233 0.1618 0.1657 0.2948 0.3049 6.6957 6.7242 6.9195 6.9386 7.2963 7.3023 7.6632 7.6833 7.8383 7.8446 8.1858 8.2110 8.4992 8.5049 8.8892 8.9101 9.0528 9.0806 12.2578 12.2883 12.5275 12.5299 12.6629 12.6688 14.2577 14.2651 k = 0.1900-0.0010-0.1909 ( 2891 PWs) bands (ev): -46.7364 -46.7364 -23.4482 -23.4468 -22.7983 -22.7962 -22.7884 -22.7872 -15.2125 -15.2124 -7.0755 -7.0688 -6.4326 -6.4237 -6.3927 -6.3876 -1.7280 -1.7183 0.1634 0.1678 0.3024 0.3144 6.6457 6.6721 6.8731 6.8898 7.2847 7.2911 7.6148 7.6343 7.8077 7.8128 8.1493 8.1700 8.5029 8.5089 8.8699 8.8900 9.0474 9.0734 12.2868 12.3173 12.5586 12.5608 12.7042 12.7107 14.2747 14.2823 k = 0.1990-0.0010-0.2000 ( 2883 PWs) bands (ev): -46.7364 -46.7364 -23.4488 -23.4473 -22.7993 -22.7973 -22.7886 -22.7875 -15.2082 -15.2081 -7.0721 -7.0652 -6.4326 -6.4236 -6.3884 -6.3832 -1.7243 -1.7135 0.1649 0.1700 0.3090 0.3231 6.5956 6.6203 6.8257 6.8403 7.2728 7.2797 7.5652 7.5837 7.7776 7.7814 8.1151 8.1315 8.5074 8.5136 8.8493 8.8683 9.0445 9.0685 12.3175 12.3481 12.5904 12.5929 12.7459 12.7529 14.2911 14.2990 k = 0.2080-0.0011-0.2091 ( 2887 PWs) bands (ev): -46.7363 -46.7363 -23.4494 -23.4480 -22.8005 -22.7984 -22.7890 -22.7878 -15.2039 -15.2038 -7.0681 -7.0611 -6.4327 -6.4234 -6.3841 -6.3788 -1.7210 -1.7091 0.1663 0.1721 0.3146 0.3310 6.5458 6.5689 6.7775 6.7901 7.2603 7.2680 7.5143 7.5315 7.7479 7.7504 8.0837 8.0961 8.5122 8.5188 8.8272 8.8449 9.0442 9.0661 12.3500 12.3806 12.6228 12.6258 12.7878 12.7952 14.3068 14.3149 k = 0.2171-0.0011-0.2182 ( 2885 PWs) bands (ev): -46.7363 -46.7363 -23.4501 -23.4486 -22.8016 -22.7994 -22.7893 -22.7881 -15.1996 -15.1995 -7.0636 -7.0564 -6.4327 -6.4233 -6.3796 -6.3742 -1.7180 -1.7050 0.1675 0.1742 0.3192 0.3379 6.4965 6.5180 6.7287 6.7396 7.2471 7.2561 7.4625 7.4779 7.7183 7.7197 8.0557 8.0647 8.5175 8.5244 8.8040 8.8201 9.0465 9.0663 12.3839 12.4145 12.6558 12.6594 12.8297 12.8375 14.3217 14.3301 k = 0.2261-0.0011-0.2273 ( 2887 PWs) bands (ev): -46.7363 -46.7363 -23.4508 -23.4492 -22.8028 -22.8006 -22.7896 -22.7884 -15.1952 -15.1951 -7.0586 -7.0512 -6.4326 -6.4232 -6.3751 -6.3697 -1.7153 -1.7012 0.1684 0.1761 0.3227 0.3440 6.4477 6.4679 6.6796 6.6890 7.2331 7.2440 7.4097 7.4229 7.6888 7.6892 8.0315 8.0377 8.5230 8.5302 8.7797 8.7942 9.0514 9.0690 12.4193 12.4498 12.6892 12.6935 12.8715 12.8797 14.3357 14.3444 k = 0.2352-0.0012-0.2364 ( 2890 PWs) bands (ev): -46.7362 -46.7362 -23.4514 -23.4499 -22.8039 -22.8017 -22.7899 -22.7887 -15.1909 -15.1908 -7.0529 -7.0454 -6.4326 -6.4231 -6.3707 -6.3652 -1.7131 -1.6979 0.1691 0.1778 0.3251 0.3490 6.3997 6.4187 6.6304 6.6385 7.2177 7.2316 7.3567 7.3668 7.6587 7.6593 8.0116 8.0156 8.5286 8.5363 8.7546 8.7675 9.0587 9.0743 12.4558 12.4863 12.7230 12.7279 12.9132 12.9217 14.3489 14.3578 k = 0.2442-0.0012-0.2455 ( 2892 PWs) bands (ev): -46.7362 -46.7362 -23.4521 -23.4505 -22.8051 -22.8029 -22.7902 -22.7890 -15.1866 -15.1865 -7.0465 -7.0390 -6.4326 -6.4229 -6.3664 -6.3608 -1.7113 -1.6950 0.1695 0.1793 0.3266 0.3531 6.3526 6.3704 6.5814 6.5883 7.1999 7.2190 7.3038 7.3106 7.6284 7.6295 7.9960 7.9987 8.5342 8.5425 8.7289 8.7403 9.0683 9.0820 12.4934 12.5238 12.7569 12.7624 12.9546 12.9634 14.3612 14.3703 k = 0.2533-0.0013-0.2546 ( 2892 PWs) bands (ev): -46.7361 -46.7361 -23.4528 -23.4512 -22.8062 -22.8040 -22.7905 -22.7893 -15.1823 -15.1822 -7.0395 -7.0319 -6.4325 -6.4228 -6.3622 -6.3566 -1.7098 -1.6926 0.1695 0.1804 0.3271 0.3563 6.3065 6.3232 6.5327 6.5385 7.1768 7.2057 7.2494 7.2599 7.5981 7.5994 7.9850 7.9872 8.5398 8.5487 8.7030 8.7131 9.0801 9.0918 12.5319 12.5621 12.7908 12.7969 12.9957 13.0047 14.3725 14.3818 k = 0.2623-0.0013-0.2636 ( 2894 PWs) bands (ev): -46.7361 -46.7361 -23.4534 -23.4519 -22.8074 -22.8051 -22.7908 -22.7896 -15.1781 -15.1780 -7.0319 -7.0241 -6.4324 -6.4227 -6.3582 -6.3526 -1.7088 -1.6906 0.1691 0.1811 0.3268 0.3586 6.2614 6.2772 6.4845 6.4895 7.1431 7.1831 7.2008 7.2217 7.5678 7.5691 7.9785 7.9807 8.5452 8.5549 8.6771 8.6863 9.0937 9.1037 12.5711 12.6012 12.8245 12.8313 13.0363 13.0454 14.3828 14.3924 k = 0.2714-0.0014-0.2727 ( 2892 PWs) bands (ev): -46.7361 -46.7361 -23.4541 -23.4525 -22.8085 -22.8063 -22.7911 -22.7899 -15.1739 -15.1738 -7.0235 -7.0157 -6.4323 -6.4225 -6.3546 -6.3489 -1.7082 -1.6890 0.1682 0.1812 0.3259 0.3601 6.2175 6.2324 6.4371 6.4412 7.0973 7.1284 7.1832 7.1960 7.5376 7.5387 7.9765 7.9789 8.5501 8.5608 8.6515 8.6606 9.1090 9.1174 12.6109 12.6409 12.8581 12.8653 13.0764 13.0856 14.3921 14.4019 k = 0.2804-0.0014-0.2818 ( 2888 PWs) bands (ev): -46.7360 -46.7360 -23.4547 -23.4531 -22.8096 -22.8074 -22.7914 -22.7902 -15.1698 -15.1697 -7.0144 -7.0066 -6.4322 -6.4224 -6.3512 -6.3455 -1.7079 -1.6880 0.1668 0.1807 0.3244 0.3609 6.1749 6.1888 6.3905 6.3939 7.0447 7.0692 7.1692 7.1778 7.5077 7.5084 7.9788 7.9813 8.5538 8.5659 8.6268 8.6373 9.1259 9.1328 12.6511 12.6809 12.8912 12.8990 13.1159 13.1251 14.4004 14.4103 k = 0.2895-0.0015-0.2909 ( 2886 PWs) bands (ev): -46.7360 -46.7360 -23.4553 -23.4538 -22.8107 -22.8085 -22.7916 -22.7905 -15.1658 -15.1657 -7.0046 -6.9967 -6.4321 -6.4223 -6.3483 -6.3426 -1.7080 -1.6873 0.1647 0.1794 0.3227 0.3611 6.1334 6.1466 6.3450 6.3478 6.9892 7.0097 7.1553 7.1633 7.4780 7.4784 7.9846 7.9876 8.5545 8.5694 8.6043 8.6187 9.1440 9.1496 12.6915 12.7212 12.9237 12.9321 13.1546 13.1638 14.4077 14.4177 k = 0.2985-0.0015-0.3000 ( 2888 PWs) bands (ev): -46.7359 -46.7359 -23.4559 -23.4544 -22.8118 -22.8096 -22.7919 -22.7908 -15.1619 -15.1618 -6.9941 -6.9862 -6.4320 -6.4221 -6.3458 -6.3401 -1.7085 -1.6872 0.1620 0.1772 0.3208 0.3609 6.0933 6.1056 6.3008 6.3030 6.9327 6.9503 7.1418 7.1505 7.4487 7.4490 7.9935 7.9971 8.5485 8.5666 8.5889 8.6085 9.1632 9.1675 12.7321 12.7615 12.9557 12.9645 13.1925 13.2017 14.4139 14.4241 k = 0.3075-0.0016-0.3091 ( 2882 PWs) bands (ev): -46.7359 -46.7359 -23.4565 -23.4550 -22.8128 -22.8107 -22.7922 -22.7910 -15.1581 -15.1581 -6.9828 -6.9749 -6.4319 -6.4220 -6.3439 -6.3381 -1.7093 -1.6875 0.1587 0.1741 0.3191 0.3603 6.0545 6.0660 6.2580 6.2596 6.8762 6.8916 7.1288 7.1386 7.4197 7.4204 8.0048 8.0091 8.5353 8.5520 8.5874 8.6072 9.1833 9.1866 12.7726 12.8018 12.9869 12.9961 13.2295 13.2386 14.4191 14.4294 k = 0.3166-0.0016-0.3182 ( 2884 PWs) bands (ev): -46.7358 -46.7358 -23.4571 -23.4557 -22.8138 -22.8117 -22.7924 -22.7913 -15.1545 -15.1544 -6.9710 -6.9631 -6.4317 -6.4218 -6.3425 -6.3367 -1.7104 -1.6882 0.1546 0.1699 0.3176 0.3595 6.0170 6.0278 6.2167 6.2178 6.8200 6.8336 7.1165 7.1273 7.3913 7.3925 8.0176 8.0229 8.5192 8.5347 8.5913 8.6107 9.2040 9.2064 12.8128 12.8419 13.0172 13.0269 13.2654 13.2744 14.4233 14.4337 k = 0.3256-0.0016-0.3273 ( 2886 PWs) bands (ev): -46.7358 -46.7358 -23.4577 -23.4563 -22.8148 -22.8128 -22.7927 -22.7916 -15.1509 -15.1509 -6.9584 -6.9505 -6.4316 -6.4217 -6.3417 -6.3359 -1.7118 -1.6893 0.1498 0.1648 0.3165 0.3585 5.9809 5.9909 6.1770 6.1778 6.7647 6.7767 7.1050 7.1165 7.3637 7.3653 8.0312 8.0373 8.5038 8.5193 8.5965 8.6164 9.2251 9.2270 12.8528 12.8815 13.0466 13.0567 13.3003 13.3091 14.4265 14.4370 k = 0.3347-0.0017-0.3364 ( 2892 PWs) bands (ev): -46.7358 -46.7358 -23.4583 -23.4569 -22.8158 -22.8138 -22.7930 -22.7919 -15.1476 -15.1475 -6.9453 -6.9374 -6.4314 -6.4216 -6.3416 -6.3358 -1.7135 -1.6908 0.1444 0.1586 0.3158 0.3575 5.9462 5.9554 6.1390 6.1398 6.7105 6.7211 7.0941 7.1063 7.3370 7.3391 8.0445 8.0516 8.4908 8.5073 8.6021 8.6231 9.2463 9.2480 12.8922 12.9206 13.0749 13.0854 13.3339 13.3425 14.4288 14.4393 k = 0.3437-0.0017-0.3455 ( 2888 PWs) bands (ev): -46.7357 -46.7357 -23.4588 -23.4575 -22.8167 -22.8148 -22.7932 -22.7921 -15.1443 -15.1443 -6.9316 -6.9238 -6.4313 -6.4214 -6.3422 -6.3363 -1.7153 -1.6926 0.1384 0.1515 0.3157 0.3565 5.9128 5.9213 6.1028 6.1040 6.6576 6.6670 7.0841 7.0966 7.3112 7.3137 8.0565 8.0644 8.4817 8.4994 8.6080 8.6303 9.2676 9.2695 12.9309 12.9590 13.1022 13.1131 13.3663 13.3746 14.4301 14.4407 k = 0.3528-0.0018-0.3546 ( 2892 PWs) bands (ev): -46.7357 -46.7357 -23.4593 -23.4580 -22.8176 -22.8158 -22.7934 -22.7924 -15.1412 -15.1412 -6.9174 -6.9097 -6.4311 -6.4213 -6.3434 -6.3375 -1.7173 -1.6948 0.1318 0.1437 0.3160 0.3556 5.8809 5.8885 6.0686 6.0703 6.6063 6.6146 7.0748 7.0875 7.2865 7.2893 8.0664 8.0748 8.4771 8.4963 8.6140 8.6380 9.2887 9.2909 12.9687 12.9966 13.1282 13.1395 13.3973 13.4053 14.4306 14.4411 k = 0.3618-0.0018-0.3636 ( 2892 PWs) bands (ev): -46.7357 -46.7357 -23.4598 -23.4586 -22.8184 -22.8167 -22.7936 -22.7927 -15.1383 -15.1383 -6.9028 -6.8951 -6.4310 -6.4211 -6.3454 -6.3394 -1.7195 -1.6973 0.1248 0.1354 0.3169 0.3548 5.8503 5.8573 6.0367 6.0388 6.5567 6.5640 7.0663 7.0790 7.2628 7.2660 8.0734 8.0820 8.4777 8.4984 8.6201 8.6459 9.3095 9.3122 13.0056 13.0331 13.1530 13.1647 13.4268 13.4344 14.4303 14.4407 k = 0.3709-0.0019-0.3727 ( 2894 PWs) bands (ev): -46.7356 -46.7356 -23.4603 -23.4591 -22.8192 -22.8176 -22.7938 -22.7929 -15.1355 -15.1355 -6.8878 -6.8803 -6.4309 -6.4210 -6.3480 -6.3421 -1.7217 -1.7000 0.1174 0.1266 0.3181 0.3542 5.8213 5.8274 6.0070 6.0096 6.5092 6.5156 7.0586 7.0712 7.2402 7.2437 8.0771 8.0855 8.4832 8.5057 8.6262 8.6543 9.3300 9.3331 13.0413 13.0684 13.1764 13.1886 13.4547 13.4620 14.4293 14.4396 k = 0.3799-0.0019-0.3818 ( 2892 PWs) bands (ev): -46.7356 -46.7356 -23.4607 -23.4596 -22.8200 -22.8184 -22.7940 -22.7931 -15.1329 -15.1329 -6.8726 -6.8651 -6.4307 -6.4208 -6.3514 -6.3453 -1.7239 -1.7029 0.1099 0.1176 0.3196 0.3536 5.7937 5.7992 5.9796 5.9827 6.4638 6.4693 7.0518 7.0640 7.2188 7.2225 8.0776 8.0855 8.4933 8.5177 8.6325 8.6630 9.3500 9.3534 13.0757 13.1024 13.1985 13.2111 13.4810 13.4879 14.4276 14.4377 k = 0.3890-0.0020-0.3909 ( 2894 PWs) bands (ev): -46.7356 -46.7356 -23.4611 -23.4600 -22.8207 -22.8192 -22.7941 -22.7933 -15.1305 -15.1305 -6.8572 -6.8499 -6.4306 -6.4207 -6.3554 -6.3493 -1.7261 -1.7059 0.1022 0.1086 0.3214 0.3531 5.7676 5.7725 5.9547 5.9581 6.4207 6.4254 7.0458 7.0576 7.1985 7.2025 8.0752 8.0823 8.5070 8.5336 8.6389 8.6721 9.3693 9.3729 13.1086 13.1349 13.2191 13.2322 13.5057 13.5121 14.4253 14.4352 k = 0.3980-0.0020-0.4000 ( 2896 PWs) bands (ev): -46.7356 -46.7356 -23.4615 -23.4605 -22.8213 -22.8199 -22.7943 -22.7935 -15.1283 -15.1283 -6.8417 -6.8347 -6.4306 -6.4205 -6.3601 -6.3538 -1.7283 -1.7091 0.0945 0.0997 0.3234 0.3527 5.7432 5.7474 5.9321 5.9359 6.3800 6.3841 7.0406 7.0519 7.1794 7.1835 8.0705 8.0768 8.5230 8.5520 8.6459 8.6818 9.3878 9.3915 13.1398 13.1657 13.2382 13.2519 13.5285 13.5345 14.4226 14.4321 k = 0.4070-0.0021-0.4091 ( 2890 PWs) bands (ev): -46.7355 -46.7355 -23.4618 -23.4609 -22.8219 -22.8206 -22.7944 -22.7937 -15.1262 -15.1262 -6.8264 -6.8196 -6.4305 -6.4203 -6.3653 -6.3588 -1.7304 -1.7123 0.0870 0.0911 0.3255 0.3524 5.7204 5.7241 5.9120 5.9160 6.3420 6.3455 7.0363 7.0469 7.1615 7.1657 8.0642 8.0696 8.5401 8.5715 8.6537 8.6921 9.4053 9.4091 13.1692 13.1947 13.2557 13.2700 13.5496 13.5551 14.4196 14.4287 k = 0.4161-0.0021-0.4182 ( 2894 PWs) bands (ev): -46.7355 -46.7355 -23.4621 -23.4613 -22.8224 -22.8212 -22.7945 -22.7939 -15.1244 -15.1243 -6.8113 -6.8048 -6.4305 -6.4201 -6.3710 -6.3643 -1.7323 -1.7155 0.0798 0.0829 0.3277 0.3521 5.6994 5.7026 5.8942 5.8983 6.3068 6.3097 7.0329 7.0428 7.1447 7.1491 8.0568 8.0614 8.5573 8.5904 8.6630 8.7030 9.4217 9.4254 13.1966 13.2218 13.2717 13.2867 13.5688 13.5739 14.4163 14.4249 k = 0.4251-0.0022-0.4273 ( 2890 PWs) bands (ev): -46.7355 -46.7355 -23.4624 -23.4616 -22.8229 -22.8218 -22.7946 -22.7940 -15.1227 -15.1227 -6.7966 -6.7905 -6.4304 -6.4200 -6.3770 -6.3700 -1.7341 -1.7186 0.0730 0.0753 0.3299 0.3517 5.6802 5.6830 5.8787 5.8828 6.2746 6.2770 7.0303 7.0395 7.1292 7.1336 8.0490 8.0528 8.5735 8.6067 8.6746 8.7145 9.4368 9.4405 13.2219 13.2467 13.2860 13.3017 13.5861 13.5907 14.4129 14.4209 k = 0.4342-0.0022-0.4364 ( 2886 PWs) bands (ev): -46.7355 -46.7355 -23.4626 -23.4619 -22.8233 -22.8223 -22.7947 -22.7942 -15.1212 -15.1212 -6.7826 -6.7768 -6.4304 -6.4198 -6.3832 -6.3759 -1.7356 -1.7217 0.0667 0.0683 0.3322 0.3514 5.6630 5.6654 5.8655 5.8695 6.2454 6.2474 7.0287 7.0371 7.1149 7.1193 8.0412 8.0443 8.5881 8.6194 8.6888 8.7263 9.4506 9.4541 13.2448 13.2693 13.2986 13.3152 13.6016 13.6056 14.4096 14.4169 k = 0.4432-0.0022-0.4455 ( 2888 PWs) bands (ev): -46.7354 -46.7354 -23.4628 -23.4622 -22.8236 -22.8228 -22.7948 -22.7943 -15.1199 -15.1199 -6.7694 -6.7642 -6.4304 -6.4196 -6.3895 -6.3818 -1.7369 -1.7246 0.0610 0.0621 0.3343 0.3509 5.6478 5.6498 5.8544 5.8581 6.2196 6.2211 7.0279 7.0356 7.1017 7.1061 8.0338 8.0363 8.6008 8.6285 8.7048 8.7381 9.4629 9.4661 13.2652 13.2895 13.3095 13.3270 13.6150 13.6185 14.4064 14.4129 k = 0.4523-0.0023-0.4546 ( 2896 PWs) bands (ev): -46.7354 -46.7354 -23.4630 -23.4625 -22.8240 -22.8233 -22.7948 -22.7945 -15.1187 -15.1187 -6.7574 -6.7527 -6.4304 -6.4195 -6.3955 -6.3875 -1.7378 -1.7274 0.0560 0.0567 0.3364 0.3504 5.6347 5.6364 5.8453 5.8487 6.1971 6.1983 7.0280 7.0350 7.0897 7.0941 8.0271 8.0290 8.6116 8.6346 8.7213 8.7492 9.4736 9.4765 13.2831 13.3072 13.3186 13.3371 13.6266 13.6295 14.4035 14.4092 k = 0.4613-0.0023-0.4636 ( 2892 PWs) bands (ev): -46.7354 -46.7354 -23.4631 -23.4627 -22.8242 -22.8236 -22.7949 -22.7946 -15.1178 -15.1178 -6.7467 -6.7427 -6.4302 -6.4195 -6.4009 -6.3927 -1.7385 -1.7299 0.0517 0.0521 0.3385 0.3498 5.6238 5.6252 5.8381 5.8410 6.1783 6.1792 7.0291 7.0354 7.0789 7.0832 8.0212 8.0227 8.6204 8.6387 8.7368 8.7592 9.4827 9.4851 13.2983 13.3219 13.3262 13.3453 13.6362 13.6385 14.4010 14.4057 k = 0.4704-0.0024-0.4727 ( 2880 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4628 -22.8243 -22.8238 -22.7948 -22.7946 -15.1171 -15.1171 -6.7377 -6.7345 -6.4299 -6.4200 -6.4052 -6.3974 -1.7388 -1.7321 0.0482 0.0484 0.3403 0.3490 5.6152 5.6162 5.8327 5.8351 6.1632 6.1639 7.0311 7.0367 7.0693 7.0735 8.0165 8.0176 8.6275 8.6411 8.7504 8.7673 9.4900 9.4919 13.3108 13.3304 13.3355 13.3516 13.6438 13.6456 14.3990 14.4027 k = 0.4794-0.0024-0.4818 ( 2874 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4630 -22.8244 -22.8241 -22.7948 -22.7947 -15.1165 -15.1165 -6.7306 -6.7283 -6.4292 -6.4213 -6.4078 -6.4014 -1.7388 -1.7341 0.0456 0.0457 0.3421 0.3481 5.6088 5.6095 5.8290 5.8307 6.1520 6.1524 7.0340 7.0391 7.0608 7.0649 8.0129 8.0136 8.6331 8.6423 8.7615 8.7730 9.4956 9.4969 13.3206 13.3339 13.3449 13.3559 13.6495 13.6507 14.3977 14.4003 k = 0.4884-0.0025-0.4909 ( 2878 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4631 -22.8244 -22.8243 -22.7948 -22.7947 -15.1162 -15.1162 -6.7258 -6.7245 -6.4282 -6.4233 -6.4085 -6.4046 -1.7384 -1.7357 0.0440 0.0440 0.3437 0.3471 5.6048 5.6052 5.8268 5.8278 6.1448 6.1450 7.0378 7.0422 7.0537 7.0576 8.0106 8.0110 8.6372 8.6423 8.7696 8.7761 9.4992 9.5000 13.3278 13.3351 13.3519 13.3579 13.6532 13.6539 14.3970 14.3984 k = 0.4975-0.0025-0.5000 ( 2878 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4632 -22.8244 -22.8244 -22.7948 -22.7948 -15.1161 -15.1161 -6.7233 -6.7230 -6.4266 -6.4255 -6.4078 -6.4069 -1.7376 -1.7371 0.0432 0.0432 0.3452 0.3459 5.6031 5.6032 5.8261 5.8263 6.1417 6.1417 7.0421 7.0439 7.0501 7.0518 8.0097 8.0098 8.6401 8.6412 8.7746 8.7760 9.5010 9.5012 13.3325 13.3341 13.3562 13.3575 13.6550 13.6552 14.3970 14.3973 k = 0.5025 0.4950-0.0050 ( 2878 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4632 -22.8244 -22.8244 -22.7948 -22.7948 -15.1161 -15.1161 -6.7234 -6.7231 -6.4266 -6.4255 -6.4078 -6.4069 -1.7376 -1.7371 0.0432 0.0432 0.3452 0.3459 5.6031 5.6032 5.8261 5.8263 6.1417 6.1417 7.0421 7.0439 7.0502 7.0518 8.0097 8.0098 8.6401 8.6412 8.7746 8.7760 9.5011 9.5012 13.3325 13.3341 13.3563 13.3575 13.6550 13.6552 14.3970 14.3973 k = 0.5000 0.4975-0.0050 ( 2876 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4632 -22.8244 -22.8244 -22.7948 -22.7948 -15.1160 -15.1160 -6.7231 -6.7231 -6.4261 -6.4261 -6.4074 -6.4074 -1.7374 -1.7374 0.0432 0.0432 0.3455 0.3455 5.6031 5.6031 5.8261 5.8261 6.1416 6.1416 7.0432 7.0432 7.0507 7.0507 8.0097 8.0097 8.6407 8.6407 8.7754 8.7754 9.5012 9.5012 13.3334 13.3334 13.3570 13.3570 13.6552 13.6552 14.3971 14.3971 k = 0.5000 0.4975-0.0050 ( 2876 PWs) bands (ev): -46.7354 -46.7354 -23.4632 -23.4632 -22.8244 -22.8244 -22.7948 -22.7948 -15.1160 -15.1160 -6.7231 -6.7231 -6.4261 -6.4261 -6.4074 -6.4074 -1.7374 -1.7374 0.0432 0.0432 0.3455 0.3455 5.6031 5.6031 5.8261 5.8261 6.1416 6.1416 7.0432 7.0432 7.0507 7.0507 8.0097 8.0097 8.6407 8.6407 8.7754 8.7754 9.5012 9.5012 13.3334 13.3334 13.3570 13.3570 13.6552 13.6552 14.3971 14.3971 k = 0.5001 0.4975 0.0077 ( 2882 PWs) bands (ev): -46.7354 -46.7354 -23.4633 -23.4632 -22.8244 -22.8244 -22.7949 -22.7948 -15.1160 -15.1160 -6.7225 -6.7224 -6.4261 -6.4256 -6.4072 -6.4072 -1.7402 -1.7363 0.0422 0.0422 0.3414 0.3463 5.6027 5.6036 5.8285 5.8287 6.1416 6.1416 7.0427 7.0439 7.0513 7.0515 8.0054 8.0059 8.6421 8.6422 8.7761 8.7765 9.5013 9.5013 13.3324 13.3344 13.3573 13.3576 13.6554 13.6554 14.4015 14.4031 k = 0.5001 0.4976 0.0203 ( 2878 PWs) bands (ev): -46.7354 -46.7354 -23.4633 -23.4632 -22.8244 -22.8244 -22.7951 -22.7949 -15.1157 -15.1157 -6.7206 -6.7203 -6.4256 -6.4246 -6.4066 -6.4065 -1.7447 -1.7370 0.0392 0.0393 0.3339 0.3438 5.6024 5.6041 5.8356 5.8361 6.1415 6.1415 7.0423 7.0448 7.0532 7.0537 7.9931 7.9941 8.6464 8.6466 8.7786 8.7793 9.5016 9.5016 13.3313 13.3354 13.3586 13.3593 13.6563 13.6563 14.4161 14.4194 k = 0.5002 0.4977 0.0330 ( 2878 PWs) bands (ev): -46.7354 -46.7354 -23.4634 -23.4632 -22.8244 -22.8244 -22.7953 -22.7951 -15.1153 -15.1153 -6.7173 -6.7169 -6.4247 -6.4232 -6.4056 -6.4055 -1.7509 -1.7394 0.0343 0.0345 0.3232 0.3379 5.6022 5.6047 5.8475 5.8482 6.1415 6.1415 7.0419 7.0458 7.0565 7.0573 7.9733 7.9746 8.6536 8.6539 8.7828 8.7838 9.5020 9.5020 13.3301 13.3361 13.3612 13.3624 13.6577 13.6578 14.4407 14.4455 k = 0.5003 0.4977 0.0457 ( 2882 PWs) bands (ev): -46.7354 -46.7354 -23.4636 -23.4633 -22.8244 -22.8244 -22.7957 -22.7954 -15.1147 -15.1147 -6.7127 -6.7122 -6.4233 -6.4214 -6.4043 -6.4041 -1.7588 -1.7435 0.0275 0.0278 0.3094 0.3288 5.6022 5.6052 5.8641 5.8652 6.1415 6.1415 7.0415 7.0467 7.0612 7.0622 7.9462 7.9479 8.6633 8.6639 8.7887 8.7901 9.5027 9.5027 13.3289 13.3365 13.3654 13.3669 13.6598 13.6598 14.4747 14.4807 k = 0.5003 0.4978 0.0584 ( 2884 PWs) bands (ev): -46.7354 -46.7354 -23.4638 -23.4634 -22.8243 -22.8243 -22.7962 -22.7957 -15.1140 -15.1140 -6.7068 -6.7062 -6.4214 -6.4190 -6.4025 -6.4023 -1.7683 -1.7493 0.0188 0.0192 0.2927 0.3166 5.6021 5.6055 5.8853 5.8867 6.1414 6.1414 7.0409 7.0475 7.0671 7.0684 7.9127 7.9145 8.6756 8.6764 8.7964 8.7980 9.5035 9.5035 13.3279 13.3367 13.3713 13.3730 13.6625 13.6625 14.5172 14.5243 k = 0.5004 0.4979 0.0711 ( 2889 PWs) bands (ev): -46.7354 -46.7354 -23.4640 -23.4636 -22.8243 -22.8243 -22.7967 -22.7962 -15.1131 -15.1131 -6.6997 -6.6989 -6.4191 -6.4163 -6.4004 -6.4002 -1.7793 -1.7568 0.0084 0.0088 0.2731 0.3014 5.6021 5.6058 5.9110 5.9125 6.1414 6.1414 7.0402 7.0482 7.0741 7.0756 7.8732 7.8751 8.6902 8.6913 8.8058 8.8076 9.5044 9.5045 13.3275 13.3372 13.3790 13.3806 13.6658 13.6658 14.5675 14.5754 k = 0.5004 0.4979 0.0838 ( 2895 PWs) bands (ev): -46.7353 -46.7353 -23.4643 -23.4638 -22.8243 -22.8243 -22.7973 -22.7967 -15.1121 -15.1121 -6.6913 -6.6904 -6.4164 -6.4131 -6.3979 -6.3976 -1.7918 -1.7659 -0.0037 -0.0032 0.2510 0.2833 5.6020 5.6058 5.9408 5.9425 6.1413 6.1414 7.0391 7.0485 7.0819 7.0838 7.8287 7.8305 8.7070 8.7084 8.8168 8.8188 9.5056 9.5057 13.3280 13.3382 13.3882 13.3898 13.6697 13.6697 14.6245 14.6331 k = 0.5005 0.4980 0.0965 ( 2892 PWs) bands (ev): -46.7353 -46.7353 -23.4645 -23.4639 -22.8243 -22.8243 -22.7980 -22.7973 -15.1109 -15.1109 -6.6818 -6.6807 -6.4133 -6.4095 -6.3950 -6.3947 -1.8056 -1.7765 -0.0174 -0.0169 0.2265 0.2626 5.6017 5.6056 5.9746 5.9763 6.1413 6.1415 7.0375 7.0483 7.0904 7.0926 7.7800 7.7814 8.7259 8.7276 8.8296 8.8316 9.5069 9.5070 13.3296 13.3401 13.3989 13.4004 13.6743 13.6743 14.6874 14.6965 k = 0.5006 0.4981 0.1092 ( 2890 PWs) bands (ev): -46.7353 -46.7353 -23.4648 -23.4642 -22.8242 -22.8242 -22.7987 -22.7979 -15.1096 -15.1096 -6.6711 -6.6700 -6.4098 -6.4055 -6.3918 -6.3915 -1.8207 -1.7886 -0.0327 -0.0320 0.1998 0.2394 5.6014 5.6053 6.0121 6.0136 6.1413 6.1416 7.0351 7.0474 7.0993 7.1019 7.7279 7.7290 8.7468 8.7489 8.8440 8.8461 9.5084 9.5085 13.3325 13.3432 13.4110 13.4124 13.6794 13.6794 14.7552 14.7646 k = 0.5006 0.4981 0.1219 ( 2889 PWs) bands (ev): -46.7353 -46.7353 -23.4651 -23.4644 -22.8242 -22.8242 -22.7995 -22.7986 -15.1082 -15.1082 -6.6594 -6.6581 -6.4059 -6.4012 -6.3883 -6.3879 -1.8370 -1.8020 -0.0493 -0.0486 0.1713 0.2141 5.6009 5.6046 6.0529 6.0537 6.1414 6.1420 7.0317 7.0453 7.1084 7.1114 7.6737 7.6741 8.7696 8.7720 8.8601 8.8623 9.5100 9.5101 13.3370 13.3476 13.4243 13.4257 13.6851 13.6852 14.8270 14.8365 k = 0.5007 0.4982 0.1346 ( 2893 PWs) bands (ev): -46.7353 -46.7353 -23.4654 -23.4647 -22.8241 -22.8241 -22.8004 -22.7995 -15.1066 -15.1066 -6.6467 -6.6453 -6.4016 -6.3965 -6.3845 -6.3841 -1.8543 -1.8167 -0.0672 -0.0664 0.1412 0.1868 5.6001 5.6038 6.0958 6.0965 6.1416 6.1433 7.0267 7.0416 7.1173 7.1208 7.6179 7.6185 8.7943 8.7970 8.8778 8.8801 9.5117 9.5119 13.3429 13.3534 13.4389 13.4401 13.6913 13.6914 14.9017 14.9113 k = 0.5008 0.4982 0.1473 ( 2891 PWs) bands (ev): -46.7352 -46.7352 -23.4658 -23.4650 -22.8240 -22.8240 -22.8012 -22.8003 -15.1049 -15.1049 -6.6331 -6.6315 -6.3971 -6.3916 -6.3804 -6.3799 -1.8726 -1.8326 -0.0863 -0.0853 0.1097 0.1578 5.5992 5.6027 6.1314 6.1374 6.1472 6.1534 7.0196 7.0354 7.1258 7.1296 7.5620 7.5639 8.8208 8.8238 8.8973 8.8996 9.5136 9.5138 13.3505 13.3606 13.4546 13.4557 13.6980 13.6982 14.9786 14.9881 k = 0.5008 0.4983 0.1600 ( 2893 PWs) bands (ev): -46.7352 -46.7352 -23.4661 -23.4653 -22.8240 -22.8240 -22.8022 -22.8012 -15.1032 -15.1032 -6.6186 -6.6169 -6.3923 -6.3863 -6.3760 -6.3754 -1.8916 -1.8496 -0.1063 -0.1052 0.0771 0.1273 5.5979 5.6013 6.1384 6.1406 6.1927 6.1941 7.0094 7.0257 7.1334 7.1374 7.5082 7.5118 8.8489 8.8521 8.9184 8.9207 9.5155 9.5158 13.3596 13.3694 13.4713 13.4723 13.7052 13.7055 15.0566 15.0661 k = 0.5009 0.4984 0.1726 ( 2892 PWs) bands (ev): -46.7352 -46.7352 -23.4665 -23.4656 -22.8239 -22.8239 -22.8032 -22.8022 -15.1013 -15.1013 -6.6033 -6.6015 -6.3872 -6.3809 -6.3714 -6.3707 -1.9114 -1.8675 -0.1272 -0.1260 0.0436 0.0956 5.5964 5.5995 6.1395 6.1409 6.2422 6.2430 6.9950 7.0112 7.1399 7.1437 7.4584 7.4642 8.8785 8.8820 8.9411 8.9434 9.5176 9.5180 13.3701 13.3795 13.4889 13.4899 13.7128 13.7131 15.1349 15.1443 k = 0.5010 0.4984 0.1853 ( 2892 PWs) bands (ev): -46.7352 -46.7352 -23.4669 -23.4660 -22.8238 -22.8238 -22.8042 -22.8032 -15.0994 -15.0994 -6.5874 -6.5855 -6.3819 -6.3752 -6.3665 -6.3658 -1.9318 -1.8863 -0.1489 -0.1475 0.0096 0.0629 5.5945 5.5974 6.1399 6.1410 6.2921 6.2949 6.9750 6.9900 7.1452 7.1481 7.4151 7.4234 8.9096 8.9132 8.9654 8.9677 9.5198 9.5202 13.3821 13.3910 13.5074 13.5083 13.7208 13.7212 15.2126 15.2220 k = 0.5010 0.4985 0.1980 ( 2901 PWs) bands (ev): -46.7351 -46.7351 -23.4673 -23.4664 -22.8238 -22.8238 -22.8053 -22.8042 -15.0974 -15.0974 -6.5710 -6.5689 -6.3764 -6.3694 -6.3614 -6.3606 -1.9525 -1.9058 -0.1711 -0.1696 -0.0248 0.0295 5.5922 5.5949 6.1402 6.1411 6.3428 6.3478 6.9479 6.9611 7.1494 7.1503 7.3804 7.3912 8.9420 8.9456 8.9912 8.9935 9.5220 9.5225 13.3953 13.4037 13.5266 13.5275 13.7291 13.7295 15.2888 15.2981 k = 0.5011 0.4986 0.2107 ( 2903 PWs) bands (ev): -46.7351 -46.7351 -23.4678 -23.4668 -22.8237 -22.8237 -22.8064 -22.8053 -15.0954 -15.0954 -6.5540 -6.5518 -6.3708 -6.3635 -6.3560 -6.3553 -1.9736 -1.9258 -0.1938 -0.1921 -0.0594 -0.0044 5.5894 5.5920 6.1404 6.1413 6.3936 6.4011 6.9133 6.9240 7.1505 7.1527 7.3552 7.3680 8.9755 8.9791 9.0185 9.0208 9.5243 9.5249 13.4097 13.4176 13.5465 13.5473 13.7376 13.7382 15.3626 15.3720 k = 0.5012 0.4986 0.2234 ( 2895 PWs) bands (ev): -46.7351 -46.7351 -23.4681 -23.4672 -22.8236 -22.8236 -22.8075 -22.8063 -15.0933 -15.0933 -6.5367 -6.5344 -6.3650 -6.3576 -6.3505 -6.3498 -1.9948 -1.9463 -0.2167 -0.2149 -0.0938 -0.0386 5.5861 5.5885 6.1407 6.1414 6.4441 6.4543 6.8714 6.8797 7.1493 7.1557 7.3392 7.3530 9.0099 9.0135 9.0471 9.0494 9.5267 9.5274 13.4251 13.4324 13.5669 13.5677 13.7465 13.7471 15.4333 15.4428 k = 0.5012 0.4987 0.2361 ( 2897 PWs) bands (ev): -46.7351 -46.7351 -23.4686 -23.4676 -22.8235 -22.8235 -22.8086 -22.8074 -15.0912 -15.0912 -6.5191 -6.5166 -6.3593 -6.3517 -6.3447 -6.3441 -2.0161 -1.9672 -0.2398 -0.2378 -0.1278 -0.0728 5.5823 5.5845 6.1409 6.1416 6.4935 6.5068 6.8239 6.8301 7.1476 7.1589 7.3305 7.3446 9.0450 9.0486 9.0769 9.0793 9.5291 9.5299 13.4414 13.4482 13.5878 13.5885 13.7555 13.7562 15.4999 15.5097 k = 0.5013 0.4988 0.2488 ( 2903 PWs) bands (ev): -46.7350 -46.7350 -23.4690 -23.4680 -22.8235 -22.8235 -22.8097 -22.8086 -15.0891 -15.0891 -6.5014 -6.4988 -6.3535 -6.3458 -6.3388 -6.3384 -2.0372 -1.9882 -0.2629 -0.2607 -0.1614 -0.1068 5.5778 5.5798 6.1411 6.1417 6.5408 6.5573 6.7732 6.7778 7.1463 7.1626 7.3270 7.3409 9.0806 9.0841 9.1078 9.1102 9.5315 9.5325 13.4583 13.4646 13.6090 13.6097 13.7646 13.7654 15.5619 15.5721 k = 0.5013 0.4988 0.2615 ( 2905 PWs) bands (ev): -46.7350 -46.7350 -23.4694 -23.4684 -22.8234 -22.8234 -22.8108 -22.8097 -15.0870 -15.0870 -6.4836 -6.4809 -6.3477 -6.3400 -6.3328 -6.3326 -2.0581 -2.0093 -0.2858 -0.2834 -0.1942 -0.1405 5.5726 5.5744 6.1413 6.1419 6.5836 6.6028 6.7240 6.7265 7.1460 7.1672 7.3268 7.3403 9.1166 9.1199 9.1396 9.1420 9.5339 9.5350 13.4758 13.4815 13.6303 13.6311 13.7739 13.7748 15.6185 15.6294 k = 0.5014 0.4989 0.2742 ( 2902 PWs) bands (ev): -46.7350 -46.7350 -23.4698 -23.4688 -22.8233 -22.8233 -22.8119 -22.8108 -15.0849 -15.0849 -6.4660 -6.4630 -6.3420 -6.3343 -6.3267 -6.3267 -2.0786 -2.0303 -0.3085 -0.3058 -0.2261 -0.1736 5.5667 5.5682 6.1415 6.1421 6.6094 6.6236 6.6897 6.6969 7.1470 7.1729 7.3287 7.3417 9.1525 9.1555 9.1721 9.1745 9.5363 9.5376 13.4936 13.4989 13.6518 13.6525 13.7833 13.7842 15.6694 15.6811 k = 0.5015 0.4989 0.2869 ( 2909 PWs) bands (ev): -46.7349 -46.7349 -23.4703 -23.4693 -22.8232 -22.8232 -22.8130 -22.8119 -15.0829 -15.0829 -6.4485 -6.4454 -6.3363 -6.3287 -6.3208 -6.3206 -2.0985 -2.0511 -0.3307 -0.3277 -0.2570 -0.2060 5.5599 5.5613 6.1418 6.1423 6.5864 6.5897 6.7000 6.7224 7.1496 7.1798 7.3318 7.3443 9.1882 9.1909 9.2052 9.2075 9.5387 9.5402 13.5116 13.5164 13.6733 13.6739 13.7926 13.7936 15.7143 15.7270 k = 0.5015 0.4990 0.2996 ( 2915 PWs) bands (ev): -46.7349 -46.7349 -23.4707 -23.4697 -22.8232 -22.8232 -22.8140 -22.8130 -15.0809 -15.0809 -6.4314 -6.4281 -6.3308 -6.3233 -6.3149 -6.3145 -2.1179 -2.0716 -0.3523 -0.3491 -0.2866 -0.2375 5.5523 5.5535 6.1420 6.1425 6.5395 6.5406 6.7329 6.7616 7.1541 7.1881 7.3354 7.3475 9.2234 9.2256 9.2386 9.2408 9.5410 9.5427 13.5296 13.5340 13.6945 13.6952 13.8020 13.8030 15.7532 15.7671 k = 0.5016 0.4991 0.3123 ( 2917 PWs) bands (ev): -46.7349 -46.7349 -23.4711 -23.4701 -22.8231 -22.8231 -22.8150 -22.8140 -15.0789 -15.0789 -6.4148 -6.4112 -6.3255 -6.3179 -6.3091 -6.3086 -2.1365 -2.0916 -0.3732 -0.3697 -0.3149 -0.2679 5.5438 5.5448 6.1423 6.1428 6.4903 6.4909 6.7672 6.8001 7.1608 7.1980 7.3393 7.3511 9.2578 9.2595 9.2720 9.2741 9.5433 9.5452 13.5475 13.5515 13.7155 13.7161 13.8113 13.8123 15.7863 15.8015 k = 0.5017 0.4991 0.3249 ( 2913 PWs) bands (ev): -46.7349 -46.7349 -23.4714 -23.4705 -22.8230 -22.8230 -22.8160 -22.8150 -15.0770 -15.0770 -6.3987 -6.3949 -6.3203 -6.3127 -6.3034 -6.3028 -2.1542 -2.1111 -0.3933 -0.3896 -0.3417 -0.2972 5.5345 5.5353 6.1425 6.1430 6.4427 6.4431 6.7993 6.8351 7.1699 7.2093 7.3431 7.3548 9.2913 9.2925 9.3051 9.3070 9.5456 9.5477 13.5650 13.5686 13.7361 13.7367 13.8204 13.8215 15.8141 15.8306 k = 0.5017 0.4992 0.3376 ( 2909 PWs) bands (ev): -46.7348 -46.7348 -23.4717 -23.4709 -22.8229 -22.8229 -22.8168 -22.8159 -15.0752 -15.0752 -6.3834 -6.3793 -6.3153 -6.3076 -6.2978 -6.2972 -2.1710 -2.1298 -0.4124 -0.4084 -0.3669 -0.3250 5.5244 5.5251 6.1428 6.1432 6.3980 6.3983 6.8281 6.8658 7.1817 7.2221 7.3469 7.3585 9.3237 9.3243 9.3373 9.3392 9.5477 9.5501 13.5820 13.5852 13.7560 13.7566 13.8295 13.8306 15.8369 15.8549 k = 0.5018 0.4993 0.3503 ( 2909 PWs) bands (ev): -46.7348 -46.7348 -23.4720 -23.4713 -22.8229 -22.8228 -22.8177 -22.8168 -15.0735 -15.0734 -6.3689 -6.3645 -6.3105 -6.3027 -6.2925 -6.2918 -2.1867 -2.1478 -0.4304 -0.4262 -0.3905 -0.3514 5.5136 5.5141 6.1430 6.1434 6.3567 6.3569 6.8534 6.8916 7.1961 7.2360 7.3504 7.3620 9.3547 9.3549 9.3685 9.3704 9.5497 9.5525 13.5984 13.6012 13.7753 13.7758 13.8383 13.8394 15.8557 15.8750 k = 0.5019 0.4993 0.3630 ( 2906 PWs) bands (ev): -46.7348 -46.7348 -23.4723 -23.4716 -22.8228 -22.8228 -22.8185 -22.8176 -15.0718 -15.0718 -6.3555 -6.3506 -6.3059 -6.2978 -6.2873 -6.2868 -2.2013 -2.1648 -0.4472 -0.4429 -0.4122 -0.3763 5.5023 5.5027 6.1433 6.1436 6.3191 6.3193 6.8752 6.9126 7.2128 7.2508 7.3536 7.3654 9.3839 9.3842 9.3982 9.4002 9.5517 9.5548 13.6138 13.6164 13.7937 13.7942 13.8468 13.8479 15.8710 15.8915 k = 0.5019 0.4994 0.3757 ( 2900 PWs) bands (ev): -46.7348 -46.7348 -23.4726 -23.4719 -22.8227 -22.8227 -22.8192 -22.8184 -15.0703 -15.0703 -6.3432 -6.3380 -6.3014 -6.2931 -6.2825 -6.2820 -2.2145 -2.1808 -0.4626 -0.4583 -0.4322 -0.3994 5.4907 5.4910 6.1435 6.1438 6.2854 6.2855 6.8936 6.9292 7.2312 7.2659 7.3566 7.3687 9.4112 9.4119 9.4260 9.4282 9.5536 9.5571 13.6284 13.6306 13.8110 13.8115 13.8551 13.8561 15.8836 15.9051 k = 0.5020 0.4995 0.3884 ( 2900 PWs) bands (ev): -46.7347 -46.7347 -23.4728 -23.4722 -22.8227 -22.8226 -22.8198 -22.8192 -15.0689 -15.0689 -6.3322 -6.3266 -6.2971 -6.2886 -6.2779 -6.2776 -2.2265 -2.1956 -0.4767 -0.4723 -0.4502 -0.4208 5.4790 5.4792 6.1437 6.1440 6.2556 6.2557 6.9090 6.9418 7.2505 7.2809 7.3593 7.3718 9.4365 9.4376 9.4518 9.4542 9.5554 9.5594 13.6418 13.6437 13.8272 13.8276 13.8629 13.8638 15.8941 15.9164 k = 0.5021 0.4995 0.4011 ( 2902 PWs) bands (ev): -46.7347 -46.7347 -23.4731 -23.4725 -22.8226 -22.8226 -22.8204 -22.8198 -15.0677 -15.0677 -6.3226 -6.3168 -6.2927 -6.2841 -6.2736 -6.2735 -2.2370 -2.2093 -0.4891 -0.4849 -0.4663 -0.4403 5.4675 5.4676 6.1439 6.1442 6.2296 6.2297 6.9218 6.9512 7.2698 7.2951 7.3618 7.3749 9.4595 9.4610 9.4751 9.4778 9.5572 9.5617 13.6539 13.6556 13.8420 13.8424 13.8703 13.8711 15.9034 15.9257 k = 0.5021 0.4996 0.4138 ( 2897 PWs) bands (ev): -46.7347 -46.7347 -23.4732 -23.4727 -22.8226 -22.8225 -22.8209 -22.8204 -15.0666 -15.0666 -6.3145 -6.3088 -6.2883 -6.2799 -6.2697 -6.2697 -2.2461 -2.2217 -0.4999 -0.4960 -0.4805 -0.4578 5.4566 5.4567 6.1441 6.1443 6.2074 6.2075 6.9324 6.9580 7.2882 7.3081 7.3641 7.3778 9.4801 9.4820 9.4959 9.4988 9.5590 9.5642 13.6647 13.6662 13.8553 13.8556 13.8771 13.8778 15.9117 15.9335 k = 0.5022 0.4996 0.4265 ( 2895 PWs) bands (ev): -46.7347 -46.7347 -23.4734 -23.4730 -22.8226 -22.8225 -22.8213 -22.8209 -15.0656 -15.0656 -6.3079 -6.3026 -6.2837 -6.2760 -6.2662 -6.2661 -2.2537 -2.2327 -0.5090 -0.5055 -0.4926 -0.4733 5.4466 5.4466 6.1443 6.1445 6.1889 6.1889 6.9410 6.9627 7.3050 7.3194 7.3665 7.3806 9.4979 9.5003 9.5136 9.5168 9.5610 9.5668 13.6741 13.6754 13.8669 13.8671 13.8833 13.8839 15.9195 15.9399 k = 0.5022 0.4997 0.4392 ( 2892 PWs) bands (ev): -46.7347 -46.7347 -23.4735 -23.4732 -22.8225 -22.8224 -22.8217 -22.8214 -15.0648 -15.0648 -6.3027 -6.2982 -6.2791 -6.2727 -6.2631 -6.2629 -2.2597 -2.2423 -0.5162 -0.5133 -0.5028 -0.4868 5.4377 5.4377 6.1444 6.1446 6.1737 6.1738 6.9480 6.9658 7.3195 7.3287 7.3690 7.3831 9.5126 9.5156 9.5282 9.5313 9.5636 9.5697 13.6820 13.6831 13.8767 13.8768 13.8888 13.8892 15.9271 15.9445 k = 0.5023 0.4998 0.4519 ( 2888 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4733 -22.8225 -22.8224 -22.8219 -22.8217 -15.0641 -15.0641 -6.2987 -6.2953 -6.2751 -6.2700 -6.2603 -6.2601 -2.2641 -2.2504 -0.5216 -0.5196 -0.5109 -0.4981 5.4303 5.4303 6.1445 6.1446 6.1619 6.1620 6.9537 6.9676 7.3310 7.3359 7.3719 7.3851 9.5243 9.5275 9.5396 9.5420 9.5671 9.5729 13.6884 13.6892 13.8843 13.8843 13.8936 13.8938 15.9342 15.9470 k = 0.5024 0.4998 0.4646 ( 2884 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4734 -22.8225 -22.8224 -22.8220 -22.8219 -15.0637 -15.0636 -6.2958 -6.2934 -6.2718 -6.2682 -6.2580 -6.2579 -2.2669 -2.2569 -0.5252 -0.5241 -0.5169 -0.5072 5.4246 5.4246 6.1446 6.1446 6.1533 6.1533 6.9583 6.9682 7.3393 7.3413 7.3752 7.3862 9.5327 9.5359 9.5476 9.5489 9.5714 9.5759 13.6932 13.6938 13.8897 13.8898 13.8976 13.8976 15.9402 15.9468 k = 0.5024 0.4999 0.4772 ( 2878 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0633 -15.0633 -6.2939 -6.2925 -6.2694 -6.2673 -6.2564 -6.2563 -2.2681 -2.2619 -0.5273 -0.5269 -0.5204 -0.5141 5.4208 5.4208 6.1445 6.1445 6.1478 6.1478 6.9619 6.9680 7.3443 7.3448 7.3786 7.3861 9.5382 9.5406 9.5527 9.5530 9.5755 9.5783 13.6964 13.6968 13.8931 13.8932 13.9004 13.9004 15.9434 15.9449 k = 0.5025 0.5000 0.4899 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0632 -15.0632 -6.2928 -6.2923 -6.2679 -6.2671 -6.2555 -6.2555 -2.2676 -2.2653 -0.5282 -0.5282 -0.5210 -0.5185 5.4190 5.4190 6.1440 6.1440 6.1457 6.1457 6.9646 6.9668 7.3466 7.3466 7.3817 7.3846 9.5411 9.5421 9.5550 9.5550 9.5782 9.5792 13.6980 13.6982 13.8946 13.8946 13.9018 13.9019 15.9436 15.9437 k = 0.5025 0.5000 0.4899 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0632 -15.0632 -6.2928 -6.2923 -6.2679 -6.2671 -6.2555 -6.2555 -2.2676 -2.2653 -0.5282 -0.5282 -0.5210 -0.5185 5.4190 5.4190 6.1440 6.1440 6.1457 6.1457 6.9646 6.9668 7.3466 7.3466 7.3817 7.3846 9.5411 9.5421 9.5550 9.5550 9.5782 9.5792 13.6980 13.6982 13.8946 13.8946 13.9018 13.9019 15.9436 15.9437 k = 0.5000 0.4975 0.4950 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4736 -22.8224 -22.8224 -22.8222 -22.8222 -15.0632 -15.0632 -6.2925 -6.2925 -6.2674 -6.2674 -6.2554 -6.2554 -2.2667 -2.2667 -0.5283 -0.5283 -0.5201 -0.5201 5.4188 5.4188 6.1439 6.1439 6.1455 6.1455 6.9658 6.9658 7.3469 7.3469 7.3832 7.3832 9.5419 9.5419 9.5552 9.5552 9.5790 9.5790 13.6983 13.6983 13.8948 13.8948 13.9020 13.9020 15.9435 15.9435 k = 0.5000-0.0025-0.0025 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4523 -22.8117 -22.8117 -22.7825 -22.7825 -15.1759 -15.1759 -7.2479 -7.2479 -6.3977 -6.3977 -6.2243 -6.2243 -1.6341 -1.6341 0.2942 0.2942 0.4085 0.4085 5.8732 5.8732 7.0360 7.0360 7.0491 7.0491 7.5322 7.5322 7.6034 7.6034 7.9805 7.9805 8.0780 8.0780 8.5688 8.5688 8.7306 8.7306 12.2471 12.2471 13.2517 13.2517 13.3892 13.3892 13.9447 13.9447 k = 0.5001 0.0065 0.0065 ( 2885 PWs) bands (ev): -46.7361 -46.7361 -23.4523 -23.4522 -22.8117 -22.8117 -22.7825 -22.7825 -15.1758 -15.1758 -7.2473 -7.2472 -6.3976 -6.3976 -6.2246 -6.2245 -1.6344 -1.6341 0.2940 0.2940 0.4079 0.4081 5.8727 5.8733 7.0354 7.0364 7.0480 7.0488 7.5234 7.5269 7.5993 7.5998 7.9853 7.9856 8.0843 8.0847 8.5659 8.5668 8.7294 8.7295 12.2488 12.2489 13.2514 13.2518 13.3884 13.3895 13.9473 13.9483 k = 0.5002 0.0156 0.0155 ( 2883 PWs) bands (ev): -46.7361 -46.7361 -23.4524 -23.4523 -22.8118 -22.8117 -22.7826 -22.7826 -15.1755 -15.1755 -7.2452 -7.2451 -6.3973 -6.3973 -6.2255 -6.2254 -1.6351 -1.6344 0.2936 0.2936 0.4063 0.4067 5.8716 5.8729 7.0341 7.0366 7.0460 7.0472 7.5015 7.5083 7.5886 7.5893 7.9995 7.9999 8.1026 8.1033 8.5582 8.5599 8.7260 8.7261 12.2539 12.2540 13.2510 13.2519 13.3870 13.3893 13.9560 13.9580 k = 0.5003 0.0246 0.0245 ( 2882 PWs) bands (ev): -46.7361 -46.7361 -23.4525 -23.4523 -22.8119 -22.8117 -22.7828 -22.7828 -15.1751 -15.1751 -7.2419 -7.2417 -6.3968 -6.3968 -6.2270 -6.2268 -1.6362 -1.6351 0.2928 0.2928 0.4037 0.4043 5.8701 5.8721 7.0310 7.0359 7.0440 7.0448 7.4691 7.4788 7.5728 7.5738 8.0216 8.0219 8.1305 8.1313 8.5456 8.5483 8.7205 8.7207 12.2623 12.2625 13.2506 13.2520 13.3853 13.3887 13.9707 13.9737 k = 0.5004 0.0336 0.0335 ( 2880 PWs) bands (ev): -46.7361 -46.7361 -23.4526 -23.4524 -22.8119 -22.8117 -22.7830 -22.7830 -15.1744 -15.1744 -7.2371 -7.2369 -6.3961 -6.3961 -6.2291 -6.2288 -1.6376 -1.6362 0.2915 0.2916 0.4002 0.4011 5.8682 5.8708 7.0249 7.0325 7.0430 7.0431 7.4292 7.4413 7.5537 7.5548 8.0499 8.0500 8.1652 8.1658 8.5284 8.5319 8.7131 8.7132 12.2741 12.2744 13.2502 13.2520 13.3834 13.3877 13.9913 13.9951 k = 0.5005 0.0427 0.0425 ( 2880 PWs) bands (ev): -46.7361 -46.7361 -23.4528 -23.4525 -22.8121 -22.8117 -22.7833 -22.7833 -15.1736 -15.1736 -7.2310 -7.2307 -6.3952 -6.3952 -6.2317 -6.2313 -1.6395 -1.6376 0.2897 0.2899 0.3958 0.3971 5.8658 5.8691 7.0154 7.0252 7.0428 7.0429 7.3845 7.3989 7.5328 7.5338 8.0828 8.0828 8.2040 8.2043 8.5067 8.5112 8.7039 8.7040 12.2891 12.2894 13.2498 13.2520 13.3813 13.3864 14.0175 14.0220 k = 0.5005 0.0517 0.0515 ( 2884 PWs) bands (ev): -46.7361 -46.7361 -23.4530 -23.4527 -22.8122 -22.8118 -22.7837 -22.7837 -15.1725 -15.1725 -7.2236 -7.2233 -6.3941 -6.3941 -6.2348 -6.2343 -1.6418 -1.6394 0.2870 0.2874 0.3907 0.3925 5.8631 5.8669 7.0025 7.0143 7.0428 7.0432 7.3376 7.3542 7.5111 7.5120 8.1190 8.1193 8.2449 8.2453 8.4808 8.4864 8.6933 8.6934 12.3073 12.3076 13.2496 13.2522 13.3793 13.3851 14.0491 14.0542 k = 0.5006 0.0608 0.0605 ( 2888 PWs) bands (ev): -46.7361 -46.7361 -23.4533 -23.4529 -22.8124 -22.8119 -22.7841 -22.7841 -15.1713 -15.1713 -7.2149 -7.2145 -6.3929 -6.3929 -6.2383 -6.2378 -1.6446 -1.6417 0.2834 0.2841 0.3851 0.3876 5.8601 5.8644 6.9858 6.9995 7.0427 7.0434 7.2908 7.3092 7.4894 7.4900 8.1578 8.1583 8.2856 8.2871 8.4514 8.4585 8.6816 8.6816 12.3284 12.3288 13.2497 13.2526 13.3775 13.3839 14.0857 14.0913 k = 0.5007 0.0698 0.0695 ( 2883 PWs) bands (ev): -46.7361 -46.7361 -23.4535 -23.4531 -22.8125 -22.8120 -22.7845 -22.7845 -15.1700 -15.1700 -7.2049 -7.2044 -6.3914 -6.3914 -6.2423 -6.2418 -1.6480 -1.6445 0.2786 0.2796 0.3790 0.3824 5.8568 5.8616 6.9647 6.9801 7.0423 7.0433 7.2459 7.2658 7.4681 7.4685 8.1983 8.1992 8.3235 8.3271 8.4203 8.4298 8.6692 8.6693 12.3524 12.3529 13.2501 13.2533 13.3761 13.3829 14.1271 14.1330 k = 0.5008 0.0789 0.0785 ( 2885 PWs) bands (ev): -46.7360 -46.7360 -23.4538 -23.4534 -22.8127 -22.8121 -22.7851 -22.7851 -15.1684 -15.1684 -7.1936 -7.1930 -6.3898 -6.3898 -6.2467 -6.2461 -1.6520 -1.6479 0.2723 0.2738 0.3726 0.3771 5.8533 5.8586 6.9388 6.9552 7.0411 7.0425 7.2050 7.2256 7.4478 7.4479 8.2398 8.2413 8.3452 8.3504 8.4022 8.4136 8.6567 8.6569 12.3791 12.3796 13.2510 13.2544 13.3751 13.3822 14.1729 14.1790 k = 0.5009 0.0879 0.0875 ( 2885 PWs) bands (ev): -46.7360 -46.7360 -23.4542 -23.4536 -22.8129 -22.8122 -22.7857 -22.7857 -15.1667 -15.1667 -7.1811 -7.1804 -6.3879 -6.3879 -6.2514 -6.2507 -1.6566 -1.6518 0.2644 0.2664 0.3662 0.3719 5.8496 5.8553 6.9078 6.9242 7.0390 7.0407 7.1691 7.1895 7.4284 7.4286 8.2805 8.2838 8.3255 8.3277 8.4283 8.4338 8.6446 8.6451 12.4083 12.4088 13.2523 13.2560 13.3747 13.3820 14.2228 14.2291 k = 0.5010 0.0970 0.0965 ( 2883 PWs) bands (ev): -46.7360 -46.7360 -23.4545 -23.4539 -22.8131 -22.8124 -22.7863 -22.7863 -15.1649 -15.1648 -7.1674 -7.1666 -6.3859 -6.3859 -6.2563 -6.2556 -1.6619 -1.6563 0.2547 0.2574 0.3596 0.3669 5.8458 5.8518 6.8721 6.8876 7.0357 7.0377 7.1388 7.1578 7.4102 7.4107 8.2828 8.2834 8.3269 8.3289 8.4672 8.4697 8.6340 8.6348 12.4399 12.4404 13.2543 13.2581 13.3749 13.3824 14.2765 14.2830 k = 0.5011 0.1060 0.1055 ( 2883 PWs) bands (ev): -46.7360 -46.7360 -23.4549 -23.4543 -22.8133 -22.8126 -22.7870 -22.7870 -15.1628 -15.1628 -7.1524 -7.1516 -6.3838 -6.3838 -6.2615 -6.2607 -1.6680 -1.6615 0.2432 0.2465 0.3531 0.3619 5.8419 5.8482 6.8326 6.8464 7.0310 7.0333 7.1133 7.1303 7.3934 7.3942 8.2372 8.2396 8.3683 8.3684 8.5069 8.5078 8.6258 8.6272 12.4736 12.4741 13.2571 13.2610 13.3759 13.3835 14.3337 14.3402 k = 0.5012 0.1151 0.1145 ( 2887 PWs) bands (ev): -46.7360 -46.7360 -23.4553 -23.4547 -22.8135 -22.8128 -22.7878 -22.7878 -15.1607 -15.1607 -7.1363 -7.1354 -6.3815 -6.3814 -6.2668 -6.2660 -1.6748 -1.6674 0.2300 0.2339 0.3464 0.3569 5.8381 5.8445 6.7906 6.8024 7.0246 7.0272 7.0916 7.1061 7.3780 7.3791 8.1879 8.1913 8.4068 8.4076 8.5453 8.5458 8.6221 8.6243 12.5092 12.5098 13.2606 13.2646 13.3776 13.3853 14.3941 14.4006 k = 0.5013 0.1241 0.1235 ( 2891 PWs) bands (ev): -46.7359 -46.7359 -23.4558 -23.4551 -22.8138 -22.8130 -22.7886 -22.7886 -15.1584 -15.1584 -7.1192 -7.1181 -6.3790 -6.3789 -6.2723 -6.2714 -1.6824 -1.6741 0.2151 0.2197 0.3393 0.3516 5.8343 5.8408 6.7475 6.7570 7.0163 7.0193 7.0725 7.0844 7.3639 7.3652 8.1364 8.1403 8.4412 8.4424 8.5805 8.5827 8.6257 8.6292 12.5466 12.5472 13.2649 13.2690 13.3802 13.3879 14.4573 14.4638 k = 0.5014 0.1331 0.1325 ( 2886 PWs) bands (ev): -46.7359 -46.7359 -23.4562 -23.4555 -22.8140 -22.8132 -22.7894 -22.7894 -15.1560 -15.1560 -7.1009 -7.0998 -6.3764 -6.3763 -6.2777 -6.2768 -1.6909 -1.6816 0.1987 0.2038 0.3318 0.3459 5.8306 5.8370 6.7044 6.7117 7.0060 7.0096 7.0551 7.0645 7.3509 7.3525 8.0832 8.0874 8.4687 8.4703 8.6121 8.6155 8.6416 8.6460 12.5856 12.5862 13.2702 13.2743 13.3838 13.3914 14.5232 14.5296 k = 0.5015 0.1422 0.1415 ( 2886 PWs) bands (ev): -46.7359 -46.7359 -23.4567 -23.4559 -22.8143 -22.8134 -22.7903 -22.7903 -15.1534 -15.1534 -7.0816 -7.0804 -6.3736 -6.3735 -6.2832 -6.2822 -1.7002 -1.6898 0.1809 0.1866 0.3236 0.3396 5.8269 5.8332 6.6623 6.6674 6.9938 6.9980 7.0386 7.0457 7.3389 7.3407 8.0288 8.0332 8.4881 8.4898 8.6421 8.6449 8.6703 8.6738 12.6258 12.6264 13.2764 13.2805 13.3883 13.3958 14.5912 14.5976 k = 0.5015 0.1512 0.1505 ( 2884 PWs) bands (ev): -46.7358 -46.7358 -23.4572 -23.4564 -22.8146 -22.8136 -22.7912 -22.7912 -15.1508 -15.1508 -7.0613 -7.0600 -6.3707 -6.3706 -6.2886 -6.2876 -1.7105 -1.6989 0.1619 0.1680 0.3144 0.3323 5.8235 5.8294 6.6222 6.6251 6.9796 6.9845 7.0223 7.0274 7.3276 7.3296 7.9738 7.9781 8.5010 8.5027 8.6752 8.6773 8.7042 8.7066 12.6672 12.6678 13.2836 13.2877 13.3938 13.4013 14.6613 14.6676 k = 0.5016 0.1603 0.1595 ( 2888 PWs) bands (ev): -46.7358 -46.7358 -23.4577 -23.4569 -22.8149 -22.8138 -22.7922 -22.7922 -15.1480 -15.1480 -7.0401 -7.0387 -6.3677 -6.3676 -6.2938 -6.2928 -1.7216 -1.7088 0.1417 0.1483 0.3041 0.3240 5.8201 5.8256 6.5846 6.5853 6.9635 6.9694 7.0058 7.0091 7.3168 7.3190 7.9185 7.9227 8.5108 8.5122 8.7115 8.7135 8.7392 8.7409 12.7095 12.7100 13.2918 13.2958 13.4003 13.4077 14.7330 14.7392 k = 0.5017 0.1693 0.1685 ( 2891 PWs) bands (ev): -46.7358 -46.7358 -23.4583 -23.4574 -22.8151 -22.8141 -22.7932 -22.7932 -15.1452 -15.1452 -7.0180 -7.0164 -6.3646 -6.3645 -6.2988 -6.2977 -1.7335 -1.7196 0.1206 0.1276 0.2925 0.3143 5.8168 5.8218 6.5485 6.5501 6.9458 6.9527 6.9888 6.9904 7.3064 7.3087 7.8635 7.8675 8.5200 8.5213 8.7492 8.7512 8.7750 8.7762 12.7524 12.7530 13.3011 13.3050 13.4079 13.4151 14.8061 14.8122 k = 0.5018 0.1784 0.1775 ( 2892 PWs) bands (ev): -46.7357 -46.7357 -23.4588 -23.4579 -22.8155 -22.8144 -22.7942 -22.7942 -15.1423 -15.1423 -6.9951 -6.9934 -6.3614 -6.3613 -6.3036 -6.3025 -1.7464 -1.7312 0.0985 0.1059 0.2794 0.3033 5.8136 5.8178 6.5153 6.5191 6.9265 6.9345 6.9707 6.9708 7.2961 7.2985 7.8093 7.8131 8.5305 8.5315 8.7860 8.7881 8.8122 8.8130 12.7959 12.7965 13.3113 13.3152 13.4165 13.4236 14.8802 14.8862 k = 0.5019 0.1874 0.1865 ( 2894 PWs) bands (ev): -46.7357 -46.7357 -23.4594 -23.4585 -22.8157 -22.8147 -22.7953 -22.7953 -15.1393 -15.1393 -6.9714 -6.9696 -6.3582 -6.3580 -6.3081 -6.3069 -1.7601 -1.7436 0.0758 0.0835 0.2647 0.2906 5.8103 5.8138 6.4857 6.4920 6.9058 6.9147 6.9499 6.9519 7.2859 7.2884 7.7565 7.7600 8.5432 8.5440 8.8207 8.8229 8.8512 8.8517 12.8397 12.8403 13.3227 13.3264 13.4263 13.4332 14.9551 14.9610 k = 0.5020 0.1965 0.1955 ( 2894 PWs) bands (ev): -46.7356 -46.7356 -23.4600 -23.4590 -22.8161 -22.8149 -22.7964 -22.7963 -15.1362 -15.1362 -6.9470 -6.9451 -6.3549 -6.3546 -6.3122 -6.3109 -1.7747 -1.7569 0.0523 0.0604 0.2483 0.2763 5.8069 5.8095 6.4602 6.4691 6.8837 6.8934 6.9277 6.9319 7.2758 7.2783 7.7056 7.7087 8.5586 8.5593 8.8532 8.8555 8.8914 8.8915 12.8837 12.8842 13.3350 13.3386 13.4370 13.4438 15.0304 15.0362 k = 0.5021 0.2055 0.2045 ( 2892 PWs) bands (ev): -46.7356 -46.7356 -23.4606 -23.4596 -22.8163 -22.8152 -22.7974 -22.7974 -15.1331 -15.1331 -6.9220 -6.9200 -6.3516 -6.3512 -6.3159 -6.3145 -1.7901 -1.7710 0.0283 0.0368 0.2302 0.2602 5.8034 5.8050 6.4389 6.4505 6.8603 6.8705 6.9041 6.9106 7.2656 7.2681 7.6572 7.6599 8.5770 8.5775 8.8842 8.8866 8.9318 8.9320 12.9276 12.9280 13.3484 13.3519 13.4488 13.4554 15.1059 15.1115 k = 0.5022 0.2145 0.2135 ( 2893 PWs) bands (ev): -46.7356 -46.7356 -23.4612 -23.4602 -22.8167 -22.8155 -22.7985 -22.7985 -15.1299 -15.1299 -6.8964 -6.8942 -6.3483 -6.3478 -6.3191 -6.3176 -1.8062 -1.7858 0.0039 0.0126 0.2104 0.2423 5.7994 5.8002 6.4217 6.4362 6.8355 6.8461 6.8790 6.8882 7.2553 7.2579 7.6117 7.6141 8.5984 8.5987 8.9140 8.9165 8.9718 8.9722 12.9712 12.9716 13.3628 13.3661 13.4617 13.4680 15.1811 15.1867 k = 0.5023 0.2236 0.2225 ( 2893 PWs) bands (ev): -46.7355 -46.7355 -23.4618 -23.4608 -22.8170 -22.8158 -22.7997 -22.7996 -15.1268 -15.1268 -6.8703 -6.8680 -6.3452 -6.3445 -6.3217 -6.3201 -1.8231 -1.8014 -0.0209 -0.0119 0.1887 0.2225 5.7949 5.7951 6.4087 6.4263 6.8095 6.8201 6.8524 6.8648 7.2451 7.2476 7.5697 7.5718 8.6227 8.6229 8.9429 8.9455 9.0111 9.0116 13.0145 13.0148 13.3781 13.3813 13.4755 13.4816 15.2559 15.2613 k = 0.5024 0.2326 0.2315 ( 2898 PWs) bands (ev): -46.7355 -46.7355 -23.4624 -23.4614 -22.8173 -22.8161 -22.8008 -22.8008 -15.1236 -15.1236 -6.8438 -6.8414 -6.3422 -6.3413 -6.3237 -6.3219 -1.8406 -1.8177 -0.0460 -0.0368 0.1653 0.2009 5.7891 5.7901 6.3996 6.4204 6.7823 6.7927 6.8246 6.8404 7.2350 7.2373 7.5315 7.5334 8.6499 8.6500 8.9711 8.9738 9.0495 9.0501 13.0572 13.0575 13.3944 13.3974 13.4902 13.4962 15.3298 15.3351 k = 0.5025 0.2417 0.2405 ( 2896 PWs) bands (ev): -46.7354 -46.7354 -23.4630 -23.4620 -22.8176 -22.8164 -22.8019 -22.8019 -15.1204 -15.1203 -6.8169 -6.8144 -6.3397 -6.3386 -6.3248 -6.3228 -1.8588 -1.8346 -0.0712 -0.0618 0.1403 0.1776 5.7827 5.7845 6.3940 6.4181 6.7540 6.7640 6.7961 6.8155 7.2250 7.2271 7.4974 7.4992 8.6798 8.6798 8.9986 9.0014 9.0867 9.0875 13.0992 13.0994 13.4116 13.4144 13.5058 13.5116 15.4025 15.4076 k = 0.5026 0.2507 0.2495 ( 2890 PWs) bands (ev): -46.7354 -46.7354 -23.4636 -23.4626 -22.8179 -22.8167 -22.8030 -22.8030 -15.1171 -15.1171 -6.7898 -6.7871 -6.3377 -6.3364 -6.3247 -6.3225 -1.8775 -1.8522 -0.0965 -0.0869 0.1136 0.1525 5.7757 5.7781 6.3913 6.4189 6.7249 6.7341 6.7674 6.7906 7.2152 7.2169 7.4675 7.4692 8.7120 8.7121 9.0256 9.0285 9.1228 9.1237 13.1403 13.1404 13.4297 13.4323 13.5222 13.5277 15.4736 15.4786 k = 0.5026 0.2598 0.2585 ( 2891 PWs) bands (ev): -46.7353 -46.7353 -23.4642 -23.4632 -22.8182 -22.8170 -22.8041 -22.8041 -15.1139 -15.1139 -6.7624 -6.7597 -6.3363 -6.3352 -6.3232 -6.3212 -1.8966 -1.8703 -0.1218 -0.1121 0.0855 0.1258 5.7680 5.7708 6.3908 6.4217 6.6950 6.7032 6.7396 6.7666 7.2059 7.2068 7.4418 7.4436 8.7464 8.7466 9.0521 9.0551 9.1575 9.1585 13.1804 13.1805 13.4487 13.4510 13.5393 13.5446 15.5427 15.5475 k = 0.5027 0.2688 0.2675 ( 2897 PWs) bands (ev): -46.7353 -46.7353 -23.4648 -23.4638 -22.8185 -22.8173 -22.8053 -22.8053 -15.1108 -15.1108 -6.7350 -6.7322 -6.3354 -6.3344 -6.3207 -6.3189 -1.9162 -1.8889 -0.1469 -0.1372 0.0560 0.0976 5.7595 5.7626 6.3912 6.4250 6.6647 6.6717 6.7143 6.7446 7.1972 7.1972 7.4201 7.4220 8.7827 8.7831 9.0782 9.0812 9.1907 9.1918 13.2193 13.2194 13.4684 13.4705 13.5570 13.5621 15.6094 15.6141 k = 0.5028 0.2779 0.2765 ( 2894 PWs) bands (ev): -46.7353 -46.7353 -23.4654 -23.4644 -22.8188 -22.8176 -22.8064 -22.8064 -15.1076 -15.1076 -6.7075 -6.7046 -6.3345 -6.3337 -6.3177 -6.3160 -1.9361 -1.9079 -0.1719 -0.1621 0.0254 0.0681 5.7502 5.7534 6.3911 6.4268 6.6340 6.6396 6.6935 6.7261 7.1880 7.1893 7.4021 7.4041 8.8208 8.8212 9.1039 9.1070 9.2226 9.2238 13.2568 13.2572 13.4890 13.4908 13.5753 13.5802 15.6733 15.6777 k = 0.5029 0.2869 0.2855 ( 2894 PWs) bands (ev): -46.7352 -46.7352 -23.4660 -23.4650 -22.8191 -22.8179 -22.8075 -22.8075 -15.1045 -15.1045 -6.6801 -6.6772 -6.3335 -6.3328 -6.3143 -6.3129 -1.9563 -1.9272 -0.1967 -0.1868 -0.0062 0.0375 5.7400 5.7432 6.3889 6.4248 6.6031 6.6074 6.6799 6.7127 7.1795 7.1825 7.3875 7.3895 8.8602 8.8608 9.1294 9.1325 9.2529 9.2542 13.2930 13.2935 13.5102 13.5118 13.5940 13.5987 15.7338 15.7380 k = 0.5030 0.2960 0.2945 ( 2896 PWs) bands (ev): -46.7352 -46.7352 -23.4666 -23.4656 -22.8194 -22.8182 -22.8086 -22.8086 -15.1015 -15.1015 -6.6529 -6.6499 -6.3323 -6.3316 -6.3109 -6.3095 -1.9767 -1.9469 -0.2210 -0.2112 -0.0385 0.0058 5.7288 5.7319 6.3833 6.4170 6.5720 6.5751 6.6756 6.7057 7.1720 7.1770 7.3757 7.3779 8.9007 8.9014 9.1545 9.1577 9.2817 9.2831 13.3277 13.3283 13.5321 13.5334 13.6130 13.6174 15.7904 15.7944 k = 0.5031 0.3050 0.3035 ( 2896 PWs) bands (ev): -46.7351 -46.7351 -23.4671 -23.4662 -22.8197 -22.8185 -22.8096 -22.8096 -15.0985 -15.0985 -6.6259 -6.6229 -6.3307 -6.3300 -6.3074 -6.3061 -1.9971 -1.9667 -0.2449 -0.2351 -0.0714 -0.0266 5.7166 5.7194 6.3735 6.4030 6.5408 6.5432 6.6809 6.7058 7.1656 7.1729 7.3665 7.3687 8.9421 8.9430 9.1795 9.1826 9.3091 9.3105 13.3608 13.3616 13.5546 13.5557 13.6322 13.6365 15.8426 15.8464 k = 0.5032 0.3140 0.3125 ( 2898 PWs) bands (ev): -46.7351 -46.7351 -23.4677 -23.4668 -22.8199 -22.8188 -22.8107 -22.8106 -15.0956 -15.0956 -6.5993 -6.5962 -6.3288 -6.3281 -6.3039 -6.3026 -2.0175 -1.9867 -0.2683 -0.2586 -0.1046 -0.0595 5.7034 5.7059 6.3597 6.3841 6.5099 6.5116 6.6947 6.7128 7.1605 7.1705 7.3594 7.3617 8.9841 8.9850 9.2042 9.2072 9.3349 9.3364 13.3922 13.3932 13.5776 13.5784 13.6516 13.6556 15.8899 15.8935 k = 0.5033 0.3231 0.3215 ( 2898 PWs) bands (ev): -46.7351 -46.7351 -23.4682 -23.4673 -22.8202 -22.8191 -22.8117 -22.8117 -15.0927 -15.0927 -6.5731 -6.5701 -6.3265 -6.3258 -6.3004 -6.2992 -2.0377 -2.0067 -0.2911 -0.2816 -0.1379 -0.0928 5.6890 5.6912 6.3428 6.3621 6.4793 6.4806 6.7146 6.7257 7.1569 7.1698 7.3541 7.3564 9.0264 9.0274 9.2287 9.2317 9.3592 9.3608 13.4220 13.4231 13.6009 13.6015 13.6709 13.6746 15.9317 15.9351 k = 0.5034 0.3321 0.3305 ( 2906 PWs) bands (ev): -46.7350 -46.7350 -23.4688 -23.4679 -22.8204 -22.8194 -22.8127 -22.8127 -15.0900 -15.0900 -6.5475 -6.5445 -6.3240 -6.3231 -6.2970 -6.2958 -2.0578 -2.0266 -0.3132 -0.3039 -0.1711 -0.1262 5.6735 5.6753 6.3239 6.3389 6.4492 6.4503 6.7388 6.7429 7.1551 7.1711 7.3502 7.3526 9.0686 9.0698 9.2530 9.2559 9.3820 9.3837 13.4501 13.4513 13.6244 13.6248 13.6901 13.6936 15.9676 15.9708 k = 0.5035 0.3412 0.3395 ( 2907 PWs) bands (ev): -46.7350 -46.7350 -23.4693 -23.4685 -22.8207 -22.8197 -22.8137 -22.8136 -15.0873 -15.0873 -6.5225 -6.5196 -6.3211 -6.3201 -6.2936 -6.2924 -2.0775 -2.0464 -0.3345 -0.3255 -0.2039 -0.1594 5.6570 5.6584 6.3042 6.3156 6.4199 6.4208 6.7631 6.7653 7.1552 7.1744 7.3476 7.3500 9.1107 9.1120 9.2770 9.2798 9.4033 9.4051 13.4765 13.4779 13.6480 13.6482 13.7090 13.7123 15.9972 16.0002 k = 0.5036 0.3502 0.3485 ( 2910 PWs) bands (ev): -46.7350 -46.7350 -23.4698 -23.4690 -22.8209 -22.8199 -22.8146 -22.8146 -15.0848 -15.0848 -6.4983 -6.4954 -6.3180 -6.3169 -6.2903 -6.2892 -2.0969 -2.0659 -0.3551 -0.3463 -0.2361 -0.1923 5.6395 5.6406 6.2847 6.2931 6.3916 6.3923 6.7848 6.7928 7.1575 7.1799 7.3460 7.3485 9.1522 9.1537 9.3008 9.3034 9.4232 9.4252 13.5013 13.5028 13.6714 13.6714 13.7275 13.7306 16.0204 16.0231 k = 0.5036 0.3593 0.3575 ( 2916 PWs) bands (ev): -46.7349 -46.7349 -23.4703 -23.4695 -22.8211 -22.8202 -22.8155 -22.8155 -15.0824 -15.0824 -6.4749 -6.4722 -6.3147 -6.3134 -6.2872 -6.2860 -2.1157 -2.0852 -0.3747 -0.3663 -0.2674 -0.2247 5.6212 5.6220 6.2659 6.2721 6.3643 6.3649 6.8069 6.8201 7.1623 7.1876 7.3453 7.3478 9.1929 9.1946 9.3242 9.3268 9.4417 9.4438 13.5245 13.5261 13.6944 13.6945 13.7456 13.7485 16.0371 16.0397 k = 0.5037 0.3683 0.3665 ( 2911 PWs) bands (ev): -46.7349 -46.7349 -23.4707 -23.4700 -22.8213 -22.8204 -22.8163 -22.8163 -15.0801 -15.0801 -6.4524 -6.4499 -6.3113 -6.3098 -6.2841 -6.2829 -2.1338 -2.1040 -0.3934 -0.3853 -0.2977 -0.2562 5.6023 5.6029 6.2484 6.2528 6.3382 6.3387 6.8286 6.8460 7.1697 7.1975 7.3452 7.3479 9.2325 9.2344 9.3473 9.3497 9.4588 9.4610 13.5462 13.5478 13.7168 13.7170 13.7631 13.7658 16.0476 16.0501 k = 0.5038 0.3774 0.3755 ( 2905 PWs) bands (ev): -46.7349 -46.7349 -23.4711 -23.4704 -22.8215 -22.8206 -22.8171 -22.8170 -15.0779 -15.0779 -6.4309 -6.4287 -6.3077 -6.3059 -6.2811 -6.2799 -2.1512 -2.1222 -0.4110 -0.4034 -0.3268 -0.2868 5.5830 5.5834 6.2322 6.2354 6.3134 6.3138 6.8490 6.8698 7.1799 7.2095 7.3457 7.3486 9.2709 9.2730 9.3699 9.3721 9.4746 9.4769 13.5665 13.5680 13.7386 13.7389 13.7799 13.7823 16.0524 16.0549 k = 0.5039 0.3864 0.3845 ( 2905 PWs) bands (ev): -46.7348 -46.7348 -23.4715 -23.4708 -22.8217 -22.8208 -22.8178 -22.8178 -15.0758 -15.0758 -6.4106 -6.4088 -6.3041 -6.3021 -6.2783 -6.2771 -2.1678 -2.1398 -0.4276 -0.4205 -0.3544 -0.3161 5.5636 5.5639 6.2177 6.2198 6.2900 6.2904 6.8677 6.8909 7.1928 7.2233 7.3466 7.3498 9.3076 9.3099 9.3919 9.3940 9.4890 9.4916 13.5852 13.5868 13.7595 13.7598 13.7959 13.7981 16.0521 16.0548 k = 0.5040 0.3954 0.3935 ( 2907 PWs) bands (ev): -46.7348 -46.7348 -23.4719 -23.4713 -22.8218 -22.8211 -22.8185 -22.8185 -15.0739 -15.0739 -6.3916 -6.3901 -6.3005 -6.2981 -6.2756 -6.2744 -2.1834 -2.1566 -0.4431 -0.4365 -0.3803 -0.3441 5.5445 5.5446 6.2048 6.2062 6.2681 6.2684 6.8845 6.9088 7.2083 7.2385 7.3479 7.3514 9.3425 9.3451 9.4132 9.4151 9.5022 9.5049 13.6025 13.6040 13.7794 13.7797 13.8111 13.8131 16.0476 16.0505 k = 0.5041 0.4045 0.4025 ( 2901 PWs) bands (ev): -46.7348 -46.7348 -23.4722 -23.4716 -22.8220 -22.8212 -22.8192 -22.8191 -15.0721 -15.0721 -6.3738 -6.3728 -6.2970 -6.2942 -6.2731 -6.2718 -2.1979 -2.1726 -0.4574 -0.4513 -0.4045 -0.3705 5.5258 5.5259 6.1934 6.1942 6.2478 6.2481 6.8992 6.9237 7.2257 7.2547 7.3495 7.3535 9.3752 9.3782 9.4336 9.4355 9.5142 9.5171 13.6184 13.6199 13.7981 13.7985 13.8253 13.8270 16.0397 16.0429 k = 0.5042 0.4135 0.4115 ( 2896 PWs) bands (ev): -46.7348 -46.7348 -23.4725 -23.4719 -22.8221 -22.8214 -22.8197 -22.8197 -15.0705 -15.0705 -6.3576 -6.3571 -6.2935 -6.2903 -6.2707 -6.2694 -2.2113 -2.1877 -0.4704 -0.4650 -0.4266 -0.3952 5.5080 5.5080 6.1835 6.1839 6.2292 6.2294 6.9119 6.9357 7.2444 7.2711 7.3512 7.3559 9.4057 9.4090 9.4530 9.4548 9.5250 9.5282 13.6329 13.6343 13.8155 13.8159 13.8384 13.8400 16.0293 16.0330 k = 0.5043 0.4226 0.4205 ( 2896 PWs) bands (ev): -46.7347 -46.7347 -23.4727 -23.4723 -22.8222 -22.8216 -22.8203 -22.8202 -15.0690 -15.0690 -6.3430 -6.3429 -6.2901 -6.2864 -6.2684 -6.2671 -2.2235 -2.2017 -0.4823 -0.4775 -0.4467 -0.4180 5.4911 5.4912 6.1750 6.1751 6.2123 6.2125 6.9228 6.9452 7.2636 7.2871 7.3532 7.3587 9.4334 9.4372 9.4712 9.4729 9.5347 9.5381 13.6460 13.6472 13.8314 13.8318 13.8505 13.8518 16.0172 16.0214 k = 0.5044 0.4316 0.4295 ( 2898 PWs) bands (ev): -46.7347 -46.7347 -23.4730 -23.4726 -22.8223 -22.8217 -22.8207 -22.8207 -15.0677 -15.0677 -6.3307 -6.3299 -6.2867 -6.2826 -6.2662 -6.2650 -2.2343 -2.2145 -0.4928 -0.4887 -0.4645 -0.4388 5.4756 5.4757 6.1677 6.1677 6.1971 6.1973 6.9321 6.9525 7.2823 7.3019 7.3554 7.3621 9.4583 9.4625 9.4881 9.4898 9.5433 9.5469 13.6576 13.6587 13.8458 13.8461 13.8614 13.8625 16.0043 16.0086 k = 0.5045 0.4407 0.4385 ( 2902 PWs) bands (ev): -46.7347 -46.7347 -23.4732 -23.4728 -22.8224 -22.8219 -22.8212 -22.8211 -15.0666 -15.0666 -6.3202 -6.3187 -6.2834 -6.2790 -6.2642 -6.2631 -2.2438 -2.2261 -0.5019 -0.4987 -0.4799 -0.4575 5.4616 5.4617 6.1615 6.1616 6.1839 6.1840 6.9399 6.9580 7.2997 7.3149 7.3579 7.3660 9.4801 9.4847 9.5034 9.5052 9.5509 9.5547 13.6678 13.6688 13.8584 13.8588 13.8712 13.8720 15.9912 15.9952 k = 0.5046 0.4497 0.4475 ( 2896 PWs) bands (ev): -46.7347 -46.7347 -23.4734 -23.4730 -22.8224 -22.8220 -22.8215 -22.8214 -15.0656 -15.0656 -6.3115 -6.3096 -6.2801 -6.2756 -6.2623 -6.2613 -2.2517 -2.2363 -0.5097 -0.5073 -0.4930 -0.4738 5.4494 5.4495 6.1564 6.1566 6.1725 6.1726 6.9464 6.9620 7.3151 7.3255 7.3609 7.3706 9.4985 9.5034 9.5173 9.5190 9.5576 9.5615 13.6765 13.6774 13.8692 13.8696 13.8797 13.8803 15.9786 15.9808 k = 0.5046 0.4588 0.4565 ( 2896 PWs) bands (ev): -46.7347 -46.7347 -23.4735 -23.4732 -22.8225 -22.8221 -22.8218 -22.8217 -15.0648 -15.0648 -6.3047 -6.3026 -6.2769 -6.2726 -6.2605 -6.2597 -2.2581 -2.2452 -0.5162 -0.5146 -0.5035 -0.4879 5.4391 5.4391 6.1523 6.1525 6.1630 6.1631 6.9518 6.9648 7.3275 7.3335 7.3647 7.3754 9.5134 9.5182 9.5295 9.5310 9.5634 9.5674 13.6838 13.6845 13.8781 13.8785 13.8870 13.8874 15.9673 15.9682 k = 0.5047 0.4678 0.4655 ( 2894 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4734 -22.8226 -22.8223 -22.8220 -22.8219 -15.0641 -15.0641 -6.2997 -6.2976 -6.2737 -6.2701 -6.2587 -6.2583 -2.2629 -2.2526 -0.5212 -0.5203 -0.5115 -0.4994 5.4308 5.4308 6.1492 6.1493 6.1555 6.1556 6.9563 6.9666 7.3364 7.3391 7.3694 7.3799 9.5249 9.5291 9.5399 9.5408 9.5685 9.5723 13.6896 13.6902 13.8850 13.8854 13.8930 13.8932 15.9575 15.9577 k = 0.5048 0.4769 0.4745 ( 2882 PWs) bands (ev): -46.7347 -46.7347 -23.4736 -23.4734 -22.8225 -22.8223 -22.8220 -22.8220 -15.0636 -15.0636 -6.2961 -6.2944 -6.2711 -6.2683 -6.2572 -6.2570 -2.2661 -2.2584 -0.5249 -0.5246 -0.5171 -0.5084 5.4246 5.4246 6.1468 6.1469 6.1501 6.1502 6.9598 6.9675 7.3420 7.3429 7.3744 7.3834 9.5332 9.5365 9.5479 9.5482 9.5729 9.5760 13.6939 13.6943 13.8900 13.8903 13.8975 13.8976 15.9496 15.9510 k = 0.5049 0.4859 0.4835 ( 2880 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0633 -15.0633 -6.2939 -6.2927 -6.2691 -6.2673 -6.2561 -6.2561 -2.2677 -2.2627 -0.5272 -0.5271 -0.5203 -0.5148 5.4207 5.4207 6.1451 6.1451 6.1468 6.1469 6.9626 6.9676 7.3452 7.3454 7.3788 7.3850 9.5386 9.5407 9.5529 9.5530 9.5762 9.5784 13.6967 13.6970 13.8932 13.8934 13.9005 13.9006 15.9450 15.9456 k = 0.5050 0.4949 0.4925 ( 2872 PWs) bands (ev): -46.7346 -46.7346 -23.4736 -23.4735 -22.8225 -22.8224 -22.8221 -22.8221 -15.0632 -15.0632 -6.2928 -6.2923 -6.2679 -6.2671 -6.2555 -6.2555 -2.2676 -2.2653 -0.5282 -0.5282 -0.5210 -0.5185 5.4190 5.4190 6.1440 6.1440 6.1457 6.1457 6.9646 6.9668 7.3466 7.3466 7.3817 7.3846 9.5411 9.5421 9.5550 9.5550 9.5782 9.5792 13.6980 13.6982 13.8946 13.8946 13.9018 13.9019 15.9436 15.9442 Writing output data file BaTiO3.save init_run : 2.70s CPU 12.57s WALL ( 1 calls) electrons : 636.71s CPU 643.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.36s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 636.69s CPU 643.42s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.05s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.13s CPU 0.65s WALL ( 1 calls) newd : 0.41s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 322 calls) cegterg : 611.38s CPU 616.12s WALL ( 1107 calls) Called by sum_band: Called by *egterg: h_psi : 208.96s CPU 219.18s WALL ( 20462 calls) s_psi : 24.35s CPU 24.83s WALL ( 20462 calls) g_psi : 0.46s CPU 0.54s WALL ( 19033 calls) cdiaghg : 285.61s CPU 280.77s WALL ( 19355 calls) cegterg:over : 48.60s CPU 45.91s WALL ( 19033 calls) cegterg:upda : 6.25s CPU 10.17s WALL ( 19033 calls) cegterg:last : 6.31s CPU 7.25s WALL ( 2452 calls) Called by h_psi: h_psi:vloc : 160.39s CPU 169.48s WALL ( 20462 calls) h_psi:vnl : 48.26s CPU 48.95s WALL ( 20462 calls) add_vuspsi : 14.99s CPU 18.32s WALL ( 20462 calls) General routines calbec : 33.21s CPU 30.54s WALL ( 20462 calls) fft : 0.59s CPU 1.29s WALL ( 19 calls) ffts : 0.01s CPU 0.55s WALL ( 4 calls) fftw : 149.42s CPU 154.63s WALL ( 1373364 calls) interpolate : 0.02s CPU 0.56s WALL ( 4 calls) davcio : 0.04s CPU 1.23s WALL ( 644 calls) Parallel routines fft_scatter : 107.18s CPU 110.98s WALL ( 1373387 calls) PWSCF : 11m19.33s CPU 12m36.27s WALL This run was terminated on: 22:26:55 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=