Program PWSCF v.5.1.1 starts on 10Oct2015 at 20:24:45 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 55 20 6 2142 460 76 Max 56 21 7 2144 471 80 Sum 2653 961 293 102867 22329 3743 bravais-lattice index = 14 lattice parameter (alat) = 7.6137 a.u. unit-cell volume = 441.3403 (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)= 7.613706 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.004765 celldm(5)= 0.004765 celldm(6)= 0.004765 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.004765 0.999989 0.000000 ) a(3) = ( 0.004765 0.004742 0.999977 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.004765 -0.004742 ) b(2) = ( 0.000000 1.000011 -0.004742 ) b(3) = ( 0.000000 0.000000 1.000023 ) 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= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0128205 -0.0000611 -0.0000608), wk = 0.0030864 k( 3) = ( 0.0256410 -0.0001222 -0.0001216), wk = 0.0030864 k( 4) = ( 0.0384615 -0.0001833 -0.0001824), wk = 0.0030864 k( 5) = ( 0.0512821 -0.0002443 -0.0002432), wk = 0.0030864 k( 6) = ( 0.0641026 -0.0003054 -0.0003040), wk = 0.0030864 k( 7) = ( 0.0769231 -0.0003665 -0.0003648), wk = 0.0030864 k( 8) = ( 0.0897436 -0.0004276 -0.0004256), wk = 0.0030864 k( 9) = ( 0.1025641 -0.0004887 -0.0004864), wk = 0.0030864 k( 10) = ( 0.1153846 -0.0005498 -0.0005472), wk = 0.0030864 k( 11) = ( 0.1282051 -0.0006109 -0.0006080), wk = 0.0030864 k( 12) = ( 0.1410256 -0.0006720 -0.0006688), wk = 0.0030864 k( 13) = ( 0.1538461 -0.0007330 -0.0007296), wk = 0.0030864 k( 14) = ( 0.1666667 -0.0007941 -0.0007904), wk = 0.0030864 k( 15) = ( 0.1794872 -0.0008552 -0.0008512), wk = 0.0030864 k( 16) = ( 0.1923077 -0.0009163 -0.0009120), wk = 0.0030864 k( 17) = ( 0.2051282 -0.0009774 -0.0009728), wk = 0.0030864 k( 18) = ( 0.2179487 -0.0010385 -0.0010336), wk = 0.0030864 k( 19) = ( 0.2307692 -0.0010996 -0.0010944), wk = 0.0030864 k( 20) = ( 0.2435897 -0.0011607 -0.0011552), wk = 0.0030864 k( 21) = ( 0.2564103 -0.0012217 -0.0012160), wk = 0.0030864 k( 22) = ( 0.2692308 -0.0012828 -0.0012768), wk = 0.0030864 k( 23) = ( 0.2820513 -0.0013439 -0.0013376), wk = 0.0030864 k( 24) = ( 0.2948718 -0.0014050 -0.0013984), wk = 0.0030864 k( 25) = ( 0.3076923 -0.0014661 -0.0014592), wk = 0.0030864 k( 26) = ( 0.3205128 -0.0015272 -0.0015199), wk = 0.0030864 k( 27) = ( 0.3333333 -0.0015883 -0.0015807), wk = 0.0030864 k( 28) = ( 0.3461538 -0.0016493 -0.0016415), wk = 0.0030864 k( 29) = ( 0.3589744 -0.0017104 -0.0017023), wk = 0.0030864 k( 30) = ( 0.3717949 -0.0017715 -0.0017631), wk = 0.0030864 k( 31) = ( 0.3846154 -0.0018326 -0.0018239), wk = 0.0030864 k( 32) = ( 0.3974359 -0.0018937 -0.0018847), wk = 0.0030864 k( 33) = ( 0.4102564 -0.0019548 -0.0019455), wk = 0.0030864 k( 34) = ( 0.4230769 -0.0020159 -0.0020063), wk = 0.0030864 k( 35) = ( 0.4358974 -0.0020770 -0.0020671), wk = 0.0030864 k( 36) = ( 0.4487179 -0.0021380 -0.0021279), wk = 0.0030864 k( 37) = ( 0.4615385 -0.0021991 -0.0021887), wk = 0.0030864 k( 38) = ( 0.4743590 -0.0022602 -0.0022495), wk = 0.0030864 k( 39) = ( 0.4871795 -0.0023213 -0.0023103), wk = 0.0030864 k( 40) = ( 0.5000000 -0.0023824 -0.0023711), wk = 0.0030864 k( 41) = ( 0.5000000 -0.0023824 -0.0023711), wk = 0.0030864 k( 42) = ( 0.5000000 0.0066228 -0.0114191), wk = 0.0030864 k( 43) = ( 0.5000000 0.0156280 -0.0204671), wk = 0.0030864 k( 44) = ( 0.5000000 0.0246332 -0.0295151), wk = 0.0030864 k( 45) = ( 0.5000000 0.0336384 -0.0385631), wk = 0.0030864 k( 46) = ( 0.5000000 0.0426436 -0.0476111), wk = 0.0030864 k( 47) = ( 0.5000000 0.0516488 -0.0566591), wk = 0.0030864 k( 48) = ( 0.5000000 0.0606540 -0.0657071), wk = 0.0030864 k( 49) = ( 0.5000000 0.0696592 -0.0747551), wk = 0.0030864 k( 50) = ( 0.5000000 0.0786644 -0.0838032), wk = 0.0030864 k( 51) = ( 0.5000000 0.0876696 -0.0928511), wk = 0.0030864 k( 52) = ( 0.5000000 0.0966748 -0.1018992), wk = 0.0030864 k( 53) = ( 0.5000000 0.1056800 -0.1109472), wk = 0.0030864 k( 54) = ( 0.5000000 0.1146852 -0.1199952), wk = 0.0030864 k( 55) = ( 0.5000000 0.1236904 -0.1290432), wk = 0.0030864 k( 56) = ( 0.5000000 0.1326956 -0.1380912), wk = 0.0030864 k( 57) = ( 0.5000000 0.1417008 -0.1471392), wk = 0.0030864 k( 58) = ( 0.5000000 0.1507060 -0.1561872), wk = 0.0030864 k( 59) = ( 0.5000000 0.1597112 -0.1652352), wk = 0.0030864 k( 60) = ( 0.5000000 0.1687164 -0.1742832), wk = 0.0030864 k( 61) = ( 0.5000000 0.1777216 -0.1833312), wk = 0.0030864 k( 62) = ( 0.5000000 0.1867268 -0.1923792), wk = 0.0030864 k( 63) = ( 0.5000000 0.1957320 -0.2014272), wk = 0.0030864 k( 64) = ( 0.5000000 0.2047371 -0.2104752), wk = 0.0030864 k( 65) = ( 0.5000000 0.2137424 -0.2195232), wk = 0.0030864 k( 66) = ( 0.5000000 0.2227475 -0.2285712), wk = 0.0030864 k( 67) = ( 0.5000000 0.2317527 -0.2376192), wk = 0.0030864 k( 68) = ( 0.5000000 0.2407579 -0.2466672), wk = 0.0030864 k( 69) = ( 0.5000000 0.2497631 -0.2557152), wk = 0.0030864 k( 70) = ( 0.5000000 0.2587683 -0.2647632), wk = 0.0030864 k( 71) = ( 0.5000000 0.2677735 -0.2738112), wk = 0.0030864 k( 72) = ( 0.5000000 0.2767787 -0.2828592), wk = 0.0030864 k( 73) = ( 0.5000000 0.2857839 -0.2919072), wk = 0.0030864 k( 74) = ( 0.5000000 0.2947891 -0.3009552), wk = 0.0030864 k( 75) = ( 0.5000000 0.3037943 -0.3100032), wk = 0.0030864 k( 76) = ( 0.5000000 0.3127995 -0.3190512), wk = 0.0030864 k( 77) = ( 0.5000000 0.3218047 -0.3280992), wk = 0.0030864 k( 78) = ( 0.5000000 0.3308099 -0.3371472), wk = 0.0030864 k( 79) = ( 0.5000000 0.3398151 -0.3461952), wk = 0.0030864 k( 80) = ( 0.5000000 0.3488203 -0.3552432), wk = 0.0030864 k( 81) = ( 0.5000000 0.3578255 -0.3642913), wk = 0.0030864 k( 82) = ( 0.5000000 0.3668307 -0.3733393), wk = 0.0030864 k( 83) = ( 0.5000000 0.3758359 -0.3823873), wk = 0.0030864 k( 84) = ( 0.5000000 0.3848411 -0.3914353), wk = 0.0030864 k( 85) = ( 0.5000000 0.3938463 -0.4004833), wk = 0.0030864 k( 86) = ( 0.5000000 0.4028515 -0.4095313), wk = 0.0030864 k( 87) = ( 0.5000000 0.4118567 -0.4185793), wk = 0.0030864 k( 88) = ( 0.5000000 0.4208619 -0.4276273), wk = 0.0030864 k( 89) = ( 0.5000000 0.4298671 -0.4366753), wk = 0.0030864 k( 90) = ( 0.5000000 0.4388723 -0.4457233), wk = 0.0030864 k( 91) = ( 0.5000000 0.4478775 -0.4547713), wk = 0.0030864 k( 92) = ( 0.5000000 0.4568827 -0.4638193), wk = 0.0030864 k( 93) = ( 0.5000000 0.4658879 -0.4728673), wk = 0.0030864 k( 94) = ( 0.5000000 0.4748931 -0.4819153), wk = 0.0030864 k( 95) = ( 0.5000000 0.4838983 -0.4909633), wk = 0.0030864 k( 96) = ( 0.5000000 0.4929035 -0.5000113), wk = 0.0030864 k( 97) = ( 0.5047198 0.4976008 0.4905268), wk = 0.0030864 k( 98) = ( 0.5000000 0.4976233 0.4952691), wk = 0.0030864 k( 99) = ( 0.5000000 0.4976233 0.4952691), wk = 0.0030864 k( 100) = ( 0.4926471 0.4903053 0.4879857), wk = 0.0030864 k( 101) = ( 0.4852941 0.4829873 0.4807023), wk = 0.0030864 k( 102) = ( 0.4779412 0.4756693 0.4734190), wk = 0.0030864 k( 103) = ( 0.4705882 0.4683513 0.4661356), wk = 0.0030864 k( 104) = ( 0.4632353 0.4610333 0.4588522), wk = 0.0030864 k( 105) = ( 0.4558823 0.4537153 0.4515688), wk = 0.0030864 k( 106) = ( 0.4485294 0.4463974 0.4442855), wk = 0.0030864 k( 107) = ( 0.4411765 0.4390794 0.4370021), wk = 0.0030864 k( 108) = ( 0.4338235 0.4317614 0.4297187), wk = 0.0030864 k( 109) = ( 0.4264706 0.4244434 0.4224354), wk = 0.0030864 k( 110) = ( 0.4191177 0.4171254 0.4151520), wk = 0.0030864 k( 111) = ( 0.4117647 0.4098074 0.4078686), wk = 0.0030864 k( 112) = ( 0.4044118 0.4024894 0.4005853), wk = 0.0030864 k( 113) = ( 0.3970588 0.3951714 0.3933019), wk = 0.0030864 k( 114) = ( 0.3897059 0.3878534 0.3860185), wk = 0.0030864 k( 115) = ( 0.3823529 0.3805355 0.3787352), wk = 0.0030864 k( 116) = ( 0.3750000 0.3732175 0.3714518), wk = 0.0030864 k( 117) = ( 0.3676471 0.3658995 0.3641684), wk = 0.0030864 k( 118) = ( 0.3602941 0.3585815 0.3568851), wk = 0.0030864 k( 119) = ( 0.3529412 0.3512635 0.3496017), wk = 0.0030864 k( 120) = ( 0.3455882 0.3439455 0.3423183), wk = 0.0030864 k( 121) = ( 0.3382353 0.3366275 0.3350349), wk = 0.0030864 k( 122) = ( 0.3308823 0.3293095 0.3277516), wk = 0.0030864 k( 123) = ( 0.3235294 0.3219915 0.3204682), wk = 0.0030864 k( 124) = ( 0.3161765 0.3146735 0.3131848), wk = 0.0030864 k( 125) = ( 0.3088235 0.3073556 0.3059015), wk = 0.0030864 k( 126) = ( 0.3014706 0.3000376 0.2986181), wk = 0.0030864 k( 127) = ( 0.2941177 0.2927196 0.2913347), wk = 0.0030864 k( 128) = ( 0.2867647 0.2854016 0.2840514), wk = 0.0030864 k( 129) = ( 0.2794118 0.2780836 0.2767680), wk = 0.0030864 k( 130) = ( 0.2720588 0.2707656 0.2694846), wk = 0.0030864 k( 131) = ( 0.2647059 0.2634476 0.2622013), wk = 0.0030864 k( 132) = ( 0.2573529 0.2561296 0.2549179), wk = 0.0030864 k( 133) = ( 0.2500000 0.2488116 0.2476345), wk = 0.0030864 k( 134) = ( 0.2426471 0.2414937 0.2403512), wk = 0.0030864 k( 135) = ( 0.2352941 0.2341757 0.2330678), wk = 0.0030864 k( 136) = ( 0.2279412 0.2268577 0.2257844), wk = 0.0030864 k( 137) = ( 0.2205882 0.2195397 0.2185011), wk = 0.0030864 k( 138) = ( 0.2132353 0.2122217 0.2112177), wk = 0.0030864 k( 139) = ( 0.2058823 0.2049037 0.2039343), wk = 0.0030864 k( 140) = ( 0.1985294 0.1975857 0.1966509), wk = 0.0030864 k( 141) = ( 0.1911765 0.1902677 0.1893676), wk = 0.0030864 k( 142) = ( 0.1838235 0.1829497 0.1820842), wk = 0.0030864 k( 143) = ( 0.1764706 0.1756317 0.1748008), wk = 0.0030864 k( 144) = ( 0.1691177 0.1683138 0.1675175), wk = 0.0030864 k( 145) = ( 0.1617647 0.1609958 0.1602341), wk = 0.0030864 k( 146) = ( 0.1544118 0.1536778 0.1529507), wk = 0.0030864 k( 147) = ( 0.1470588 0.1463598 0.1456674), wk = 0.0030864 k( 148) = ( 0.1397059 0.1390418 0.1383840), wk = 0.0030864 k( 149) = ( 0.1323529 0.1317238 0.1311006), wk = 0.0030864 k( 150) = ( 0.1250000 0.1244058 0.1238173), wk = 0.0030864 k( 151) = ( 0.1176471 0.1170878 0.1165339), wk = 0.0030864 k( 152) = ( 0.1102941 0.1097698 0.1092505), wk = 0.0030864 k( 153) = ( 0.1029412 0.1024519 0.1019672), wk = 0.0030864 k( 154) = ( 0.0955882 0.0951339 0.0946838), wk = 0.0030864 k( 155) = ( 0.0882353 0.0878159 0.0874004), wk = 0.0030864 k( 156) = ( 0.0808824 0.0804979 0.0801171), wk = 0.0030864 k( 157) = ( 0.0735294 0.0731799 0.0728337), wk = 0.0030864 k( 158) = ( 0.0661765 0.0658619 0.0655503), wk = 0.0030864 k( 159) = ( 0.0588235 0.0585439 0.0582669), wk = 0.0030864 k( 160) = ( 0.0514706 0.0512259 0.0509836), wk = 0.0030864 k( 161) = ( 0.0441177 0.0439079 0.0437002), wk = 0.0030864 k( 162) = ( 0.0367647 0.0365900 0.0364168), wk = 0.0030864 k( 163) = ( 0.0294118 0.0292720 0.0291335), wk = 0.0030864 k( 164) = ( 0.0220588 0.0219540 0.0218501), wk = 0.0030864 k( 165) = ( 0.0147059 0.0146360 0.0145667), wk = 0.0030864 k( 166) = ( 0.0073529 0.0073180 0.0072834), wk = 0.0030864 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 169) = ( 0.0088864 -0.0000423 -0.0089288), wk = 0.0030864 k( 170) = ( 0.0177729 -0.0000847 -0.0178575), wk = 0.0030864 k( 171) = ( 0.0266593 -0.0001270 -0.0267863), wk = 0.0030864 k( 172) = ( 0.0355457 -0.0001694 -0.0357151), wk = 0.0030864 k( 173) = ( 0.0444321 -0.0002117 -0.0446439), wk = 0.0030864 k( 174) = ( 0.0533186 -0.0002541 -0.0535726), wk = 0.0030864 k( 175) = ( 0.0622050 -0.0002964 -0.0625014), wk = 0.0030864 k( 176) = ( 0.0710915 -0.0003387 -0.0714302), wk = 0.0030864 k( 177) = ( 0.0799779 -0.0003811 -0.0803590), wk = 0.0030864 k( 178) = ( 0.0888643 -0.0004234 -0.0892877), wk = 0.0030864 k( 179) = ( 0.0977507 -0.0004658 -0.0982165), wk = 0.0030864 k( 180) = ( 0.1066372 -0.0005081 -0.1071453), wk = 0.0030864 k( 181) = ( 0.1155236 -0.0005504 -0.1160741), wk = 0.0030864 k( 182) = ( 0.1244100 -0.0005928 -0.1250028), wk = 0.0030864 k( 183) = ( 0.1332965 -0.0006351 -0.1339316), wk = 0.0030864 k( 184) = ( 0.1421829 -0.0006775 -0.1428604), wk = 0.0030864 k( 185) = ( 0.1510693 -0.0007198 -0.1517891), wk = 0.0030864 k( 186) = ( 0.1599558 -0.0007622 -0.1607179), wk = 0.0030864 k( 187) = ( 0.1688422 -0.0008045 -0.1696467), wk = 0.0030864 k( 188) = ( 0.1777286 -0.0008468 -0.1785755), wk = 0.0030864 k( 189) = ( 0.1866151 -0.0008892 -0.1875042), wk = 0.0030864 k( 190) = ( 0.1955015 -0.0009315 -0.1964330), wk = 0.0030864 k( 191) = ( 0.2043879 -0.0009739 -0.2053618), wk = 0.0030864 k( 192) = ( 0.2132743 -0.0010162 -0.2142906), wk = 0.0030864 k( 193) = ( 0.2221608 -0.0010585 -0.2232193), wk = 0.0030864 k( 194) = ( 0.2310472 -0.0011009 -0.2321481), wk = 0.0030864 k( 195) = ( 0.2399336 -0.0011432 -0.2410769), wk = 0.0030864 k( 196) = ( 0.2488201 -0.0011856 -0.2500056), wk = 0.0030864 k( 197) = ( 0.2577065 -0.0012279 -0.2589344), wk = 0.0030864 k( 198) = ( 0.2665929 -0.0012703 -0.2678632), wk = 0.0030864 k( 199) = ( 0.2754794 -0.0013126 -0.2767920), wk = 0.0030864 k( 200) = ( 0.2843658 -0.0013549 -0.2857207), wk = 0.0030864 k( 201) = ( 0.2932522 -0.0013973 -0.2946495), wk = 0.0030864 k( 202) = ( 0.3021387 -0.0014396 -0.3035783), wk = 0.0030864 k( 203) = ( 0.3110251 -0.0014820 -0.3125071), wk = 0.0030864 k( 204) = ( 0.3199115 -0.0015243 -0.3214358), wk = 0.0030864 k( 205) = ( 0.3287979 -0.0015667 -0.3303646), wk = 0.0030864 k( 206) = ( 0.3376844 -0.0016090 -0.3392934), wk = 0.0030864 k( 207) = ( 0.3465708 -0.0016513 -0.3482222), wk = 0.0030864 k( 208) = ( 0.3554572 -0.0016937 -0.3571509), wk = 0.0030864 k( 209) = ( 0.3643437 -0.0017360 -0.3660797), wk = 0.0030864 k( 210) = ( 0.3732301 -0.0017784 -0.3750085), wk = 0.0030864 k( 211) = ( 0.3821165 -0.0018207 -0.3839372), wk = 0.0030864 k( 212) = ( 0.3910030 -0.0018630 -0.3928660), wk = 0.0030864 k( 213) = ( 0.3998894 -0.0019054 -0.4017948), wk = 0.0030864 k( 214) = ( 0.4087758 -0.0019477 -0.4107236), wk = 0.0030864 k( 215) = ( 0.4176623 -0.0019901 -0.4196523), wk = 0.0030864 k( 216) = ( 0.4265487 -0.0020324 -0.4285811), wk = 0.0030864 k( 217) = ( 0.4354351 -0.0020748 -0.4375099), wk = 0.0030864 k( 218) = ( 0.4443215 -0.0021171 -0.4464387), wk = 0.0030864 k( 219) = ( 0.4532080 -0.0021594 -0.4553674), wk = 0.0030864 k( 220) = ( 0.4620944 -0.0022018 -0.4642962), wk = 0.0030864 k( 221) = ( 0.4709808 -0.0022441 -0.4732250), wk = 0.0030864 k( 222) = ( 0.4798673 -0.0022865 -0.4821538), wk = 0.0030864 k( 223) = ( 0.4887537 -0.0023288 -0.4910825), wk = 0.0030864 k( 224) = ( 0.4976401 -0.0023711 -0.5000113), wk = 0.0030864 k( 225) = ( 0.5023599 0.4952521 -0.0047422), wk = 0.0030864 k( 226) = ( 0.5000000 0.4976233 -0.0047422), wk = 0.0030864 k( 227) = ( 0.5000000 0.4976233 -0.0047422), wk = 0.0030864 k( 228) = ( 0.5000605 0.4976835 0.0079570), wk = 0.0030864 k( 229) = ( 0.5001210 0.4977437 0.0206562), wk = 0.0030864 k( 230) = ( 0.5001815 0.4978040 0.0333554), wk = 0.0030864 k( 231) = ( 0.5002420 0.4978642 0.0460546), wk = 0.0030864 k( 232) = ( 0.5003026 0.4979244 0.0587538), wk = 0.0030864 k( 233) = ( 0.5003631 0.4979846 0.0714530), wk = 0.0030864 k( 234) = ( 0.5004236 0.4980448 0.0841522), wk = 0.0030864 k( 235) = ( 0.5004841 0.4981051 0.0968514), wk = 0.0030864 k( 236) = ( 0.5005446 0.4981653 0.1095506), wk = 0.0030864 k( 237) = ( 0.5006051 0.4982255 0.1222498), wk = 0.0030864 k( 238) = ( 0.5006656 0.4982857 0.1349490), wk = 0.0030864 k( 239) = ( 0.5007261 0.4983460 0.1476482), wk = 0.0030864 k( 240) = ( 0.5007866 0.4984062 0.1603474), wk = 0.0030864 k( 241) = ( 0.5008471 0.4984664 0.1730466), wk = 0.0030864 k( 242) = ( 0.5009077 0.4985266 0.1857459), wk = 0.0030864 k( 243) = ( 0.5009681 0.4985868 0.1984451), wk = 0.0030864 k( 244) = ( 0.5010287 0.4986471 0.2111443), wk = 0.0030864 k( 245) = ( 0.5010892 0.4987073 0.2238435), wk = 0.0030864 k( 246) = ( 0.5011497 0.4987675 0.2365427), wk = 0.0030864 k( 247) = ( 0.5012102 0.4988277 0.2492419), wk = 0.0030864 k( 248) = ( 0.5012707 0.4988879 0.2619411), wk = 0.0030864 k( 249) = ( 0.5013312 0.4989482 0.2746403), wk = 0.0030864 k( 250) = ( 0.5013917 0.4990084 0.2873395), wk = 0.0030864 k( 251) = ( 0.5014522 0.4990686 0.3000387), wk = 0.0030864 k( 252) = ( 0.5015127 0.4991288 0.3127379), wk = 0.0030864 k( 253) = ( 0.5015732 0.4991891 0.3254371), wk = 0.0030864 k( 254) = ( 0.5016338 0.4992493 0.3381363), wk = 0.0030864 k( 255) = ( 0.5016943 0.4993095 0.3508355), wk = 0.0030864 k( 256) = ( 0.5017548 0.4993697 0.3635347), wk = 0.0030864 k( 257) = ( 0.5018153 0.4994299 0.3762339), wk = 0.0030864 k( 258) = ( 0.5018758 0.4994902 0.3889332), wk = 0.0030864 k( 259) = ( 0.5019363 0.4995504 0.4016324), wk = 0.0030864 k( 260) = ( 0.5019968 0.4996106 0.4143316), wk = 0.0030864 k( 261) = ( 0.5020573 0.4996708 0.4270308), wk = 0.0030864 k( 262) = ( 0.5021178 0.4997311 0.4397300), wk = 0.0030864 k( 263) = ( 0.5021783 0.4997913 0.4524292), wk = 0.0030864 k( 264) = ( 0.5022389 0.4998515 0.4651284), wk = 0.0030864 k( 265) = ( 0.5022994 0.4999117 0.4778276), wk = 0.0030864 k( 266) = ( 0.5023599 0.4999719 0.4905268), wk = 0.0030864 k( 267) = ( 0.5023599 0.4999719 0.4905268), wk = 0.0030864 k( 268) = ( 0.5000000 0.4976233 0.4952691), wk = 0.0030864 k( 269) = ( 0.5000000 -0.0023824 -0.0023711), wk = 0.0030864 k( 270) = ( 0.5000858 0.0066653 0.0066338), wk = 0.0030864 k( 271) = ( 0.5001716 0.0157130 0.0156387), wk = 0.0030864 k( 272) = ( 0.5002574 0.0247607 0.0246436), wk = 0.0030864 k( 273) = ( 0.5003433 0.0338084 0.0336484), wk = 0.0030864 k( 274) = ( 0.5004291 0.0428561 0.0426533), wk = 0.0030864 k( 275) = ( 0.5005149 0.0519038 0.0516582), wk = 0.0030864 k( 276) = ( 0.5006007 0.0609515 0.0606631), wk = 0.0030864 k( 277) = ( 0.5006865 0.0699992 0.0696680), wk = 0.0030864 k( 278) = ( 0.5007723 0.0790469 0.0786729), wk = 0.0030864 k( 279) = ( 0.5008581 0.0880946 0.0876778), wk = 0.0030864 k( 280) = ( 0.5009440 0.0971423 0.0966827), wk = 0.0030864 k( 281) = ( 0.5010298 0.1061900 0.1056876), wk = 0.0030864 k( 282) = ( 0.5011156 0.1152377 0.1146925), wk = 0.0030864 k( 283) = ( 0.5012014 0.1242854 0.1236974), wk = 0.0030864 k( 284) = ( 0.5012872 0.1333330 0.1327023), wk = 0.0030864 k( 285) = ( 0.5013730 0.1423807 0.1417072), wk = 0.0030864 k( 286) = ( 0.5014588 0.1514284 0.1507120), wk = 0.0030864 k( 287) = ( 0.5015447 0.1604761 0.1597169), wk = 0.0030864 k( 288) = ( 0.5016305 0.1695238 0.1687218), wk = 0.0030864 k( 289) = ( 0.5017163 0.1785715 0.1777267), wk = 0.0030864 k( 290) = ( 0.5018021 0.1876192 0.1867316), wk = 0.0030864 k( 291) = ( 0.5018879 0.1966669 0.1957365), wk = 0.0030864 k( 292) = ( 0.5019737 0.2057146 0.2047414), wk = 0.0030864 k( 293) = ( 0.5020595 0.2147623 0.2137463), wk = 0.0030864 k( 294) = ( 0.5021453 0.2238100 0.2227512), wk = 0.0030864 k( 295) = ( 0.5022312 0.2328577 0.2317561), wk = 0.0030864 k( 296) = ( 0.5023170 0.2419054 0.2407610), wk = 0.0030864 k( 297) = ( 0.5024028 0.2509531 0.2497658), wk = 0.0030864 k( 298) = ( 0.5024886 0.2600008 0.2587707), wk = 0.0030864 k( 299) = ( 0.5025744 0.2690485 0.2677756), wk = 0.0030864 k( 300) = ( 0.5026602 0.2780962 0.2767805), wk = 0.0030864 k( 301) = ( 0.5027460 0.2871439 0.2857854), wk = 0.0030864 k( 302) = ( 0.5028318 0.2961916 0.2947903), wk = 0.0030864 k( 303) = ( 0.5029177 0.3052393 0.3037952), wk = 0.0030864 k( 304) = ( 0.5030035 0.3142870 0.3128001), wk = 0.0030864 k( 305) = ( 0.5030893 0.3233347 0.3218050), wk = 0.0030864 k( 306) = ( 0.5031751 0.3323824 0.3308099), wk = 0.0030864 k( 307) = ( 0.5032609 0.3414301 0.3398148), wk = 0.0030864 k( 308) = ( 0.5033467 0.3504778 0.3488197), wk = 0.0030864 k( 309) = ( 0.5034325 0.3595255 0.3578246), wk = 0.0030864 k( 310) = ( 0.5035184 0.3685731 0.3668294), wk = 0.0030864 k( 311) = ( 0.5036042 0.3776208 0.3758343), wk = 0.0030864 k( 312) = ( 0.5036900 0.3866685 0.3848392), wk = 0.0030864 k( 313) = ( 0.5037758 0.3957162 0.3938441), wk = 0.0030864 k( 314) = ( 0.5038616 0.4047639 0.4028490), wk = 0.0030864 k( 315) = ( 0.5039474 0.4138116 0.4118539), wk = 0.0030864 k( 316) = ( 0.5040332 0.4228593 0.4208588), wk = 0.0030864 k( 317) = ( 0.5041191 0.4319070 0.4298637), wk = 0.0030864 k( 318) = ( 0.5042049 0.4409547 0.4388686), wk = 0.0030864 k( 319) = ( 0.5042907 0.4500024 0.4478735), wk = 0.0030864 k( 320) = ( 0.5043765 0.4590501 0.4568784), wk = 0.0030864 k( 321) = ( 0.5044623 0.4680978 0.4658833), wk = 0.0030864 k( 322) = ( 0.5045481 0.4771455 0.4748882), wk = 0.0030864 k( 323) = ( 0.5046339 0.4861932 0.4838930), wk = 0.0030864 k( 324) = ( 0.5047198 0.4952409 0.4928979), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0030864 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0030864 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0030864 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0030864 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0030864 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0030864 k( 10) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0030864 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0030864 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0030864 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0030864 k( 14) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0030864 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0030864 k( 16) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0030864 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0030864 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0030864 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0030864 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0030864 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0030864 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0030864 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0030864 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0030864 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0030864 k( 26) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0030864 k( 27) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030864 k( 28) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0030864 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0030864 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0030864 k( 31) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0030864 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0030864 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0030864 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0030864 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0030864 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0030864 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0030864 k( 38) = ( 0.4743590 -0.0000000 0.0000000), wk = 0.0030864 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0030864 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 42) = ( 0.5000000 0.0090051 -0.0090051), wk = 0.0030864 k( 43) = ( 0.5000000 0.0180102 -0.0180102), wk = 0.0030864 k( 44) = ( 0.5000000 0.0270153 -0.0270153), wk = 0.0030864 k( 45) = ( 0.5000000 0.0360204 -0.0360204), wk = 0.0030864 k( 46) = ( 0.5000000 0.0450255 -0.0450255), wk = 0.0030864 k( 47) = ( 0.5000000 0.0540306 -0.0540306), wk = 0.0030864 k( 48) = ( 0.5000000 0.0630357 -0.0630357), wk = 0.0030864 k( 49) = ( 0.5000000 0.0720408 -0.0720408), wk = 0.0030864 k( 50) = ( 0.5000000 0.0810459 -0.0810459), wk = 0.0030864 k( 51) = ( 0.5000000 0.0900510 -0.0900510), wk = 0.0030864 k( 52) = ( 0.5000000 0.0990561 -0.0990561), wk = 0.0030864 k( 53) = ( 0.5000000 0.1080611 -0.1080611), wk = 0.0030864 k( 54) = ( 0.5000000 0.1170662 -0.1170662), wk = 0.0030864 k( 55) = ( 0.5000000 0.1260713 -0.1260713), wk = 0.0030864 k( 56) = ( 0.5000000 0.1350764 -0.1350764), wk = 0.0030864 k( 57) = ( 0.5000000 0.1440815 -0.1440815), wk = 0.0030864 k( 58) = ( 0.5000000 0.1530866 -0.1530866), wk = 0.0030864 k( 59) = ( 0.5000000 0.1620917 -0.1620917), wk = 0.0030864 k( 60) = ( 0.5000000 0.1710968 -0.1710968), wk = 0.0030864 k( 61) = ( 0.5000000 0.1801019 -0.1801019), wk = 0.0030864 k( 62) = ( 0.5000000 0.1891070 -0.1891070), wk = 0.0030864 k( 63) = ( 0.5000000 0.1981121 -0.1981121), wk = 0.0030864 k( 64) = ( 0.5000000 0.2071172 -0.2071172), wk = 0.0030864 k( 65) = ( 0.5000000 0.2161223 -0.2161223), wk = 0.0030864 k( 66) = ( 0.5000000 0.2251274 -0.2251274), wk = 0.0030864 k( 67) = ( 0.5000000 0.2341325 -0.2341325), wk = 0.0030864 k( 68) = ( 0.5000000 0.2431376 -0.2431376), wk = 0.0030864 k( 69) = ( 0.5000000 0.2521427 -0.2521427), wk = 0.0030864 k( 70) = ( 0.5000000 0.2611478 -0.2611478), wk = 0.0030864 k( 71) = ( 0.5000000 0.2701529 -0.2701529), wk = 0.0030864 k( 72) = ( 0.5000000 0.2791580 -0.2791580), wk = 0.0030864 k( 73) = ( 0.5000000 0.2881631 -0.2881631), wk = 0.0030864 k( 74) = ( 0.5000000 0.2971682 -0.2971682), wk = 0.0030864 k( 75) = ( 0.5000000 0.3061732 -0.3061732), wk = 0.0030864 k( 76) = ( 0.5000000 0.3151783 -0.3151783), wk = 0.0030864 k( 77) = ( 0.5000000 0.3241834 -0.3241834), wk = 0.0030864 k( 78) = ( 0.5000000 0.3331885 -0.3331885), wk = 0.0030864 k( 79) = ( 0.5000000 0.3421936 -0.3421936), wk = 0.0030864 k( 80) = ( 0.5000000 0.3511987 -0.3511987), wk = 0.0030864 k( 81) = ( 0.5000000 0.3602038 -0.3602038), wk = 0.0030864 k( 82) = ( 0.5000000 0.3692089 -0.3692089), wk = 0.0030864 k( 83) = ( 0.5000000 0.3782140 -0.3782140), wk = 0.0030864 k( 84) = ( 0.5000000 0.3872191 -0.3872191), wk = 0.0030864 k( 85) = ( 0.5000000 0.3962242 -0.3962242), wk = 0.0030864 k( 86) = ( 0.5000000 0.4052293 -0.4052293), wk = 0.0030864 k( 87) = ( 0.5000000 0.4142344 -0.4142344), wk = 0.0030864 k( 88) = ( 0.5000000 0.4232395 -0.4232395), wk = 0.0030864 k( 89) = ( 0.5000000 0.4322446 -0.4322446), wk = 0.0030864 k( 90) = ( 0.5000000 0.4412497 -0.4412497), wk = 0.0030864 k( 91) = ( 0.5000000 0.4502548 -0.4502548), wk = 0.0030864 k( 92) = ( 0.5000000 0.4592599 -0.4592599), wk = 0.0030864 k( 93) = ( 0.5000000 0.4682650 -0.4682650), wk = 0.0030864 k( 94) = ( 0.5000000 0.4772701 -0.4772701), wk = 0.0030864 k( 95) = ( 0.5000000 0.4862752 -0.4862752), wk = 0.0030864 k( 96) = ( 0.5000000 0.4952803 -0.4952802), wk = 0.0030864 k( 97) = ( 0.5047198 0.5000000 0.4952803), wk = 0.0030864 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 100) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030864 k( 101) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030864 k( 102) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030864 k( 103) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030864 k( 104) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030864 k( 105) = ( 0.4558823 0.4558823 0.4558824), wk = 0.0030864 k( 106) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030864 k( 107) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030864 k( 108) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030864 k( 109) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030864 k( 110) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030864 k( 111) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030864 k( 112) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030864 k( 113) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030864 k( 114) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030864 k( 115) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030864 k( 116) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030864 k( 117) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030864 k( 118) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030864 k( 119) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030864 k( 120) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030864 k( 121) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030864 k( 122) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030864 k( 123) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030864 k( 124) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030864 k( 125) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030864 k( 126) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030864 k( 127) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0030864 k( 128) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030864 k( 129) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030864 k( 130) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030864 k( 131) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030864 k( 132) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030864 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 134) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030864 k( 135) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030864 k( 136) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030864 k( 137) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030864 k( 138) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030864 k( 139) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0030864 k( 140) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030864 k( 141) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030864 k( 142) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030864 k( 143) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030864 k( 144) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030864 k( 145) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030864 k( 146) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030864 k( 147) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030864 k( 148) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030864 k( 149) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030864 k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030864 k( 151) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030864 k( 152) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030864 k( 153) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030864 k( 154) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030864 k( 155) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030864 k( 156) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030864 k( 157) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030864 k( 158) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030864 k( 159) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030864 k( 160) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030864 k( 161) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030864 k( 162) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030864 k( 163) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030864 k( 164) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030864 k( 165) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030864 k( 166) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030864 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 169) = ( 0.0088864 0.0000000 -0.0088864), wk = 0.0030864 k( 170) = ( 0.0177729 0.0000000 -0.0177729), wk = 0.0030864 k( 171) = ( 0.0266593 0.0000000 -0.0266593), wk = 0.0030864 k( 172) = ( 0.0355457 0.0000000 -0.0355457), wk = 0.0030864 k( 173) = ( 0.0444321 0.0000000 -0.0444322), wk = 0.0030864 k( 174) = ( 0.0533186 0.0000000 -0.0533186), wk = 0.0030864 k( 175) = ( 0.0622050 -0.0000000 -0.0622050), wk = 0.0030864 k( 176) = ( 0.0710915 -0.0000000 -0.0710915), wk = 0.0030864 k( 177) = ( 0.0799779 0.0000000 -0.0799779), wk = 0.0030864 k( 178) = ( 0.0888643 -0.0000000 -0.0888643), wk = 0.0030864 k( 179) = ( 0.0977507 -0.0000000 -0.0977507), wk = 0.0030864 k( 180) = ( 0.1066372 0.0000000 -0.1066372), wk = 0.0030864 k( 181) = ( 0.1155236 0.0000000 -0.1155236), wk = 0.0030864 k( 182) = ( 0.1244100 0.0000000 -0.1244100), wk = 0.0030864 k( 183) = ( 0.1332965 0.0000000 -0.1332965), wk = 0.0030864 k( 184) = ( 0.1421829 0.0000000 -0.1421829), wk = 0.0030864 k( 185) = ( 0.1510693 0.0000000 -0.1510693), wk = 0.0030864 k( 186) = ( 0.1599558 0.0000000 -0.1599558), wk = 0.0030864 k( 187) = ( 0.1688422 0.0000000 -0.1688422), wk = 0.0030864 k( 188) = ( 0.1777286 -0.0000000 -0.1777286), wk = 0.0030864 k( 189) = ( 0.1866151 0.0000000 -0.1866151), wk = 0.0030864 k( 190) = ( 0.1955015 -0.0000000 -0.1955015), wk = 0.0030864 k( 191) = ( 0.2043879 -0.0000000 -0.2043879), wk = 0.0030864 k( 192) = ( 0.2132743 0.0000000 -0.2132743), wk = 0.0030864 k( 193) = ( 0.2221608 0.0000000 -0.2221608), wk = 0.0030864 k( 194) = ( 0.2310472 0.0000000 -0.2310472), wk = 0.0030864 k( 195) = ( 0.2399336 -0.0000000 -0.2399336), wk = 0.0030864 k( 196) = ( 0.2488201 0.0000000 -0.2488201), wk = 0.0030864 k( 197) = ( 0.2577065 0.0000000 -0.2577065), wk = 0.0030864 k( 198) = ( 0.2665929 0.0000000 -0.2665929), wk = 0.0030864 k( 199) = ( 0.2754794 -0.0000000 -0.2754793), wk = 0.0030864 k( 200) = ( 0.2843658 0.0000000 -0.2843658), wk = 0.0030864 k( 201) = ( 0.2932522 -0.0000000 -0.2932522), wk = 0.0030864 k( 202) = ( 0.3021387 0.0000000 -0.3021387), wk = 0.0030864 k( 203) = ( 0.3110251 -0.0000000 -0.3110251), wk = 0.0030864 k( 204) = ( 0.3199115 -0.0000000 -0.3199115), wk = 0.0030864 k( 205) = ( 0.3287979 -0.0000000 -0.3287979), wk = 0.0030864 k( 206) = ( 0.3376844 0.0000000 -0.3376844), wk = 0.0030864 k( 207) = ( 0.3465708 -0.0000000 -0.3465708), wk = 0.0030864 k( 208) = ( 0.3554572 0.0000000 -0.3554572), wk = 0.0030864 k( 209) = ( 0.3643437 -0.0000000 -0.3643437), wk = 0.0030864 k( 210) = ( 0.3732301 -0.0000000 -0.3732301), wk = 0.0030864 k( 211) = ( 0.3821165 -0.0000000 -0.3821165), wk = 0.0030864 k( 212) = ( 0.3910030 0.0000000 -0.3910030), wk = 0.0030864 k( 213) = ( 0.3998894 -0.0000000 -0.3998894), wk = 0.0030864 k( 214) = ( 0.4087758 -0.0000000 -0.4087758), wk = 0.0030864 k( 215) = ( 0.4176623 -0.0000000 -0.4176623), wk = 0.0030864 k( 216) = ( 0.4265487 0.0000000 -0.4265487), wk = 0.0030864 k( 217) = ( 0.4354351 -0.0000000 -0.4354351), wk = 0.0030864 k( 218) = ( 0.4443215 0.0000000 -0.4443215), wk = 0.0030864 k( 219) = ( 0.4532080 0.0000000 -0.4532080), wk = 0.0030864 k( 220) = ( 0.4620944 0.0000000 -0.4620944), wk = 0.0030864 k( 221) = ( 0.4709808 0.0000000 -0.4709808), wk = 0.0030864 k( 222) = ( 0.4798673 -0.0000000 -0.4798673), wk = 0.0030864 k( 223) = ( 0.4887537 -0.0000000 -0.4887537), wk = 0.0030864 k( 224) = ( 0.4976401 0.0000000 -0.4976401), wk = 0.0030864 k( 225) = ( 0.5023599 0.4976401 -0.0000000), wk = 0.0030864 k( 226) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030864 k( 228) = ( 0.5000605 0.5000605 0.0126995), wk = 0.0030864 k( 229) = ( 0.5001210 0.5001210 0.0253990), wk = 0.0030864 k( 230) = ( 0.5001815 0.5001815 0.0380985), wk = 0.0030864 k( 231) = ( 0.5002420 0.5002420 0.0507980), wk = 0.0030864 k( 232) = ( 0.5003026 0.5003026 0.0634975), wk = 0.0030864 k( 233) = ( 0.5003631 0.5003631 0.0761970), wk = 0.0030864 k( 234) = ( 0.5004236 0.5004236 0.0888965), wk = 0.0030864 k( 235) = ( 0.5004841 0.5004841 0.1015960), wk = 0.0030864 k( 236) = ( 0.5005446 0.5005446 0.1142954), wk = 0.0030864 k( 237) = ( 0.5006051 0.5006051 0.1269949), wk = 0.0030864 k( 238) = ( 0.5006656 0.5006656 0.1396944), wk = 0.0030864 k( 239) = ( 0.5007261 0.5007261 0.1523939), wk = 0.0030864 k( 240) = ( 0.5007866 0.5007866 0.1650934), wk = 0.0030864 k( 241) = ( 0.5008471 0.5008471 0.1777929), wk = 0.0030864 k( 242) = ( 0.5009077 0.5009077 0.1904924), wk = 0.0030864 k( 243) = ( 0.5009681 0.5009681 0.2031919), wk = 0.0030864 k( 244) = ( 0.5010287 0.5010287 0.2158914), wk = 0.0030864 k( 245) = ( 0.5010892 0.5010892 0.2285909), wk = 0.0030864 k( 246) = ( 0.5011497 0.5011497 0.2412904), wk = 0.0030864 k( 247) = ( 0.5012102 0.5012102 0.2539899), wk = 0.0030864 k( 248) = ( 0.5012707 0.5012707 0.2666894), wk = 0.0030864 k( 249) = ( 0.5013312 0.5013312 0.2793889), wk = 0.0030864 k( 250) = ( 0.5013917 0.5013917 0.2920884), wk = 0.0030864 k( 251) = ( 0.5014522 0.5014522 0.3047878), wk = 0.0030864 k( 252) = ( 0.5015127 0.5015127 0.3174873), wk = 0.0030864 k( 253) = ( 0.5015732 0.5015732 0.3301868), wk = 0.0030864 k( 254) = ( 0.5016338 0.5016338 0.3428863), wk = 0.0030864 k( 255) = ( 0.5016943 0.5016943 0.3555858), wk = 0.0030864 k( 256) = ( 0.5017548 0.5017548 0.3682853), wk = 0.0030864 k( 257) = ( 0.5018153 0.5018153 0.3809848), wk = 0.0030864 k( 258) = ( 0.5018758 0.5018758 0.3936843), wk = 0.0030864 k( 259) = ( 0.5019363 0.5019363 0.4063838), wk = 0.0030864 k( 260) = ( 0.5019968 0.5019968 0.4190833), wk = 0.0030864 k( 261) = ( 0.5020573 0.5020573 0.4317828), wk = 0.0030864 k( 262) = ( 0.5021178 0.5021178 0.4444823), wk = 0.0030864 k( 263) = ( 0.5021783 0.5021783 0.4571818), wk = 0.0030864 k( 264) = ( 0.5022389 0.5022389 0.4698813), wk = 0.0030864 k( 265) = ( 0.5022994 0.5022994 0.4825808), wk = 0.0030864 k( 266) = ( 0.5023599 0.5023599 0.4952802), wk = 0.0030864 k( 267) = ( 0.5023599 0.5023599 0.4952802), wk = 0.0030864 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 269) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 270) = ( 0.5000858 0.0090480 0.0090480), wk = 0.0030864 k( 271) = ( 0.5001716 0.0180960 0.0180960), wk = 0.0030864 k( 272) = ( 0.5002574 0.0271440 0.0271440), wk = 0.0030864 k( 273) = ( 0.5003433 0.0361920 0.0361920), wk = 0.0030864 k( 274) = ( 0.5004291 0.0452400 0.0452400), wk = 0.0030864 k( 275) = ( 0.5005149 0.0542880 0.0542880), wk = 0.0030864 k( 276) = ( 0.5006007 0.0633360 0.0633360), wk = 0.0030864 k( 277) = ( 0.5006865 0.0723840 0.0723840), wk = 0.0030864 k( 278) = ( 0.5007723 0.0814320 0.0814320), wk = 0.0030864 k( 279) = ( 0.5008581 0.0904800 0.0904800), wk = 0.0030864 k( 280) = ( 0.5009440 0.0995280 0.0995280), wk = 0.0030864 k( 281) = ( 0.5010298 0.1085760 0.1085760), wk = 0.0030864 k( 282) = ( 0.5011156 0.1176240 0.1176240), wk = 0.0030864 k( 283) = ( 0.5012014 0.1266720 0.1266720), wk = 0.0030864 k( 284) = ( 0.5012872 0.1357200 0.1357200), wk = 0.0030864 k( 285) = ( 0.5013730 0.1447680 0.1447680), wk = 0.0030864 k( 286) = ( 0.5014588 0.1538160 0.1538160), wk = 0.0030864 k( 287) = ( 0.5015447 0.1628640 0.1628640), wk = 0.0030864 k( 288) = ( 0.5016305 0.1719120 0.1719120), wk = 0.0030864 k( 289) = ( 0.5017163 0.1809600 0.1809600), wk = 0.0030864 k( 290) = ( 0.5018021 0.1900081 0.1900081), wk = 0.0030864 k( 291) = ( 0.5018879 0.1990561 0.1990561), wk = 0.0030864 k( 292) = ( 0.5019737 0.2081041 0.2081041), wk = 0.0030864 k( 293) = ( 0.5020595 0.2171521 0.2171521), wk = 0.0030864 k( 294) = ( 0.5021453 0.2262001 0.2262001), wk = 0.0030864 k( 295) = ( 0.5022312 0.2352481 0.2352481), wk = 0.0030864 k( 296) = ( 0.5023170 0.2442961 0.2442961), wk = 0.0030864 k( 297) = ( 0.5024028 0.2533441 0.2533441), wk = 0.0030864 k( 298) = ( 0.5024886 0.2623921 0.2623921), wk = 0.0030864 k( 299) = ( 0.5025744 0.2714401 0.2714401), wk = 0.0030864 k( 300) = ( 0.5026602 0.2804881 0.2804881), wk = 0.0030864 k( 301) = ( 0.5027460 0.2895361 0.2895361), wk = 0.0030864 k( 302) = ( 0.5028318 0.2985841 0.2985841), wk = 0.0030864 k( 303) = ( 0.5029177 0.3076321 0.3076321), wk = 0.0030864 k( 304) = ( 0.5030035 0.3166801 0.3166801), wk = 0.0030864 k( 305) = ( 0.5030893 0.3257281 0.3257281), wk = 0.0030864 k( 306) = ( 0.5031751 0.3347761 0.3347761), wk = 0.0030864 k( 307) = ( 0.5032609 0.3438241 0.3438241), wk = 0.0030864 k( 308) = ( 0.5033467 0.3528721 0.3528721), wk = 0.0030864 k( 309) = ( 0.5034325 0.3619201 0.3619201), wk = 0.0030864 k( 310) = ( 0.5035184 0.3709681 0.3709681), wk = 0.0030864 k( 311) = ( 0.5036042 0.3800161 0.3800161), wk = 0.0030864 k( 312) = ( 0.5036900 0.3890641 0.3890641), wk = 0.0030864 k( 313) = ( 0.5037758 0.3981121 0.3981121), wk = 0.0030864 k( 314) = ( 0.5038616 0.4071601 0.4071601), wk = 0.0030864 k( 315) = ( 0.5039474 0.4162081 0.4162081), wk = 0.0030864 k( 316) = ( 0.5040332 0.4252561 0.4252561), wk = 0.0030864 k( 317) = ( 0.5041191 0.4343041 0.4343041), wk = 0.0030864 k( 318) = ( 0.5042049 0.4433521 0.4433521), wk = 0.0030864 k( 319) = ( 0.5042907 0.4524001 0.4524001), wk = 0.0030864 k( 320) = ( 0.5043765 0.4614481 0.4614481), wk = 0.0030864 k( 321) = ( 0.5044623 0.4704961 0.4704961), wk = 0.0030864 k( 322) = ( 0.5045481 0.4795441 0.4795441), wk = 0.0030864 k( 323) = ( 0.5046339 0.4885921 0.4885921), wk = 0.0030864 k( 324) = ( 0.5047198 0.4976401 0.4976401), wk = 0.0030864 Dense grid: 102867 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22329 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 136, 48) NL pseudopotentials 0.12 Mb ( 68, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2143) G-vector shells 0.01 Mb ( 1810) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 136, 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 44.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.6 secs Computing kpt #: 5 total cpu time spent up to now is 57.4 secs Computing kpt #: 6 total cpu time spent up to now is 59.5 secs Computing kpt #: 7 total cpu time spent up to now is 61.4 secs Computing kpt #: 8 total cpu time spent up to now is 63.6 secs Computing kpt #: 9 total cpu time spent up to now is 65.4 secs Computing kpt #: 10 total cpu time spent up to now is 66.9 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 69.6 secs Computing kpt #: 13 total cpu time spent up to now is 70.9 secs Computing kpt #: 14 total cpu time spent up to now is 72.3 secs Computing kpt #: 15 total cpu time spent up to now is 73.5 secs Computing kpt #: 16 total cpu time spent up to now is 74.8 secs Computing kpt #: 17 total cpu time spent up to now is 76.1 secs Computing kpt #: 18 total cpu time spent up to now is 77.3 secs Computing kpt #: 19 total cpu time spent up to now is 78.7 secs Computing kpt #: 20 total cpu time spent up to now is 79.9 secs Computing kpt #: 21 total cpu time spent up to now is 81.2 secs Computing kpt #: 22 total cpu time spent up to now is 82.6 secs Computing kpt #: 23 total cpu time spent up to now is 83.8 secs Computing kpt #: 24 total cpu time spent up to now is 85.0 secs Computing kpt #: 25 total cpu time spent up to now is 86.2 secs Computing kpt #: 26 total cpu time spent up to now is 87.4 secs Computing kpt #: 27 total cpu time spent up to now is 88.8 secs Computing kpt #: 28 total cpu time spent up to now is 90.0 secs Computing kpt #: 29 total cpu time spent up to now is 91.3 secs Computing kpt #: 30 total cpu time spent up to now is 92.5 secs Computing kpt #: 31 total cpu time spent up to now is 93.8 secs Computing kpt #: 32 total cpu time spent up to now is 94.9 secs Computing kpt #: 33 total cpu time spent up to now is 96.2 secs Computing kpt #: 34 total cpu time spent up to now is 97.5 secs Computing kpt #: 35 total cpu time spent up to now is 98.8 secs Computing kpt #: 36 total cpu time spent up to now is 99.9 secs Computing kpt #: 37 total cpu time spent up to now is 101.1 secs Computing kpt #: 38 total cpu time spent up to now is 102.3 secs Computing kpt #: 39 total cpu time spent up to now is 103.7 secs Computing kpt #: 40 total cpu time spent up to now is 105.0 secs Computing kpt #: 41 total cpu time spent up to now is 106.3 secs Computing kpt #: 42 total cpu time spent up to now is 107.5 secs Computing kpt #: 43 total cpu time spent up to now is 108.7 secs Computing kpt #: 44 total cpu time spent up to now is 110.1 secs Computing kpt #: 45 total cpu time spent up to now is 111.3 secs Computing kpt #: 46 total cpu time spent up to now is 112.6 secs Computing kpt #: 47 total cpu time spent up to now is 113.8 secs Computing kpt #: 48 total cpu time spent up to now is 115.1 secs Computing kpt #: 49 total cpu time spent up to now is 116.4 secs Computing kpt #: 50 total cpu time spent up to now is 117.7 secs Computing kpt #: 51 total cpu time spent up to now is 119.0 secs Computing kpt #: 52 total cpu time spent up to now is 120.2 secs Computing kpt #: 53 total cpu time spent up to now is 121.4 secs Computing kpt #: 54 total cpu time spent up to now is 122.6 secs Computing kpt #: 55 total cpu time spent up to now is 123.8 secs Computing kpt #: 56 total cpu time spent up to now is 125.1 secs Computing kpt #: 57 total cpu time spent up to now is 126.9 secs Computing kpt #: 58 total cpu time spent up to now is 128.8 secs Computing kpt #: 59 total cpu time spent up to now is 130.7 secs Computing kpt #: 60 total cpu time spent up to now is 132.2 secs Computing kpt #: 61 total cpu time spent up to now is 133.7 secs Computing kpt #: 62 total cpu time spent up to now is 135.0 secs Computing kpt #: 63 total cpu time spent up to now is 136.5 secs Computing kpt #: 64 total cpu time spent up to now is 137.8 secs Computing kpt #: 65 total cpu time spent up to now is 139.4 secs Computing kpt #: 66 total cpu time spent up to now is 140.7 secs Computing kpt #: 67 total cpu time spent up to now is 142.3 secs Computing kpt #: 68 total cpu time spent up to now is 143.9 secs Computing kpt #: 69 total cpu time spent up to now is 145.5 secs Computing kpt #: 70 total cpu time spent up to now is 147.2 secs Computing kpt #: 71 total cpu time spent up to now is 148.6 secs Computing kpt #: 72 total cpu time spent up to now is 150.2 secs Computing kpt #: 73 total cpu time spent up to now is 152.0 secs Computing kpt #: 74 total cpu time spent up to now is 153.6 secs Computing kpt #: 75 total cpu time spent up to now is 155.2 secs Computing kpt #: 76 total cpu time spent up to now is 156.9 secs Computing kpt #: 77 total cpu time spent up to now is 158.9 secs Computing kpt #: 78 total cpu time spent up to now is 161.3 secs Computing kpt #: 79 total cpu time spent up to now is 163.4 secs Computing kpt #: 80 total cpu time spent up to now is 165.8 secs Computing kpt #: 81 total cpu time spent up to now is 168.0 secs Computing kpt #: 82 total cpu time spent up to now is 170.5 secs Computing kpt #: 83 total cpu time spent up to now is 173.0 secs Computing kpt #: 84 total cpu time spent up to now is 175.4 secs Computing kpt #: 85 total cpu time spent up to now is 177.9 secs Computing kpt #: 86 total cpu time spent up to now is 180.6 secs Computing kpt #: 87 total cpu time spent up to now is 183.5 secs Computing kpt #: 88 total cpu time spent up to now is 186.1 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.7 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.0 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.7 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.0 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.6 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.4 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.4 secs Computing kpt #: 115 total cpu time spent up to now is 271.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.0 secs Computing kpt #: 120 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 289.9 secs Computing kpt #: 122 total cpu time spent up to now is 292.0 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.3 secs Computing kpt #: 125 total cpu time spent up to now is 300.3 secs Computing kpt #: 126 total cpu time spent up to now is 302.2 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.5 secs Computing kpt #: 129 total cpu time spent up to now is 310.6 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.7 secs Computing kpt #: 131 total cpu time spent up to now is 316.1 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.2 secs Computing kpt #: 133 total cpu time spent up to now is 321.8 secs Computing kpt #: 134 total cpu time spent up to now is 323.4 secs Computing kpt #: 135 total cpu time spent up to now is 325.1 secs Computing kpt #: 136 total cpu time spent up to now is 326.9 secs Computing kpt #: 137 total cpu time spent up to now is 328.5 secs Computing kpt #: 138 total cpu time spent up to now is 329.9 secs Computing kpt #: 139 total cpu time spent up to now is 331.5 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.7 secs Computing kpt #: 141 total cpu time spent up to now is 336.3 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.6 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 144 total cpu time spent up to now is 344.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.6 secs Computing kpt #: 147 total cpu time spent up to now is 352.1 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.3 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.6 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.8 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.0 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.3 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.4 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.8 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.0 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.4 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.6 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.9 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.1 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.3 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.5 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.7 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.7 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.9 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.9 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.2 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.7 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.5 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.8 secs Computing kpt #: 173 total cpu time spent up to now is 434.9 secs Computing kpt #: 174 total cpu time spent up to now is 437.6 secs Computing kpt #: 175 total cpu time spent up to now is 439.5 secs Computing kpt #: 176 total cpu time spent up to now is 441.3 secs Computing kpt #: 177 total cpu time spent up to now is 443.0 secs Computing kpt #: 178 total cpu time spent up to now is 444.7 secs Computing kpt #: 179 total cpu time spent up to now is 446.5 secs Computing kpt #: 180 total cpu time spent up to now is 448.2 secs Computing kpt #: 181 total cpu time spent up to now is 449.8 secs Computing kpt #: 182 total cpu time spent up to now is 451.2 secs Computing kpt #: 183 total cpu time spent up to now is 452.7 secs Computing kpt #: 184 total cpu time spent up to now is 454.1 secs Computing kpt #: 185 total cpu time spent up to now is 455.4 secs Computing kpt #: 186 total cpu time spent up to now is 456.6 secs Computing kpt #: 187 total cpu time spent up to now is 457.9 secs Computing kpt #: 188 total cpu time spent up to now is 459.5 secs Computing kpt #: 189 total cpu time spent up to now is 461.0 secs Computing kpt #: 190 total cpu time spent up to now is 462.6 secs Computing kpt #: 191 total cpu time spent up to now is 463.8 secs Computing kpt #: 192 total cpu time spent up to now is 465.1 secs Computing kpt #: 193 total cpu time spent up to now is 466.4 secs Computing kpt #: 194 total cpu time spent up to now is 467.6 secs Computing kpt #: 195 total cpu time spent up to now is 468.9 secs Computing kpt #: 196 total cpu time spent up to now is 470.1 secs Computing kpt #: 197 total cpu time spent up to now is 471.4 secs Computing kpt #: 198 total cpu time spent up to now is 472.9 secs Computing kpt #: 199 total cpu time spent up to now is 474.1 secs Computing kpt #: 200 total cpu time spent up to now is 475.3 secs Computing kpt #: 201 total cpu time spent up to now is 476.7 secs Computing kpt #: 202 total cpu time spent up to now is 477.9 secs Computing kpt #: 203 total cpu time spent up to now is 479.1 secs Computing kpt #: 204 total cpu time spent up to now is 480.2 secs Computing kpt #: 205 total cpu time spent up to now is 481.4 secs Computing kpt #: 206 total cpu time spent up to now is 482.7 secs Computing kpt #: 207 total cpu time spent up to now is 484.0 secs Computing kpt #: 208 total cpu time spent up to now is 485.1 secs Computing kpt #: 209 total cpu time spent up to now is 486.3 secs Computing kpt #: 210 total cpu time spent up to now is 487.5 secs Computing kpt #: 211 total cpu time spent up to now is 488.6 secs Computing kpt #: 212 total cpu time spent up to now is 489.8 secs Computing kpt #: 213 total cpu time spent up to now is 491.0 secs Computing kpt #: 214 total cpu time spent up to now is 492.2 secs Computing kpt #: 215 total cpu time spent up to now is 493.5 secs Computing kpt #: 216 total cpu time spent up to now is 494.5 secs Computing kpt #: 217 total cpu time spent up to now is 495.7 secs Computing kpt #: 218 total cpu time spent up to now is 496.8 secs Computing kpt #: 219 total cpu time spent up to now is 497.9 secs Computing kpt #: 220 total cpu time spent up to now is 499.0 secs Computing kpt #: 221 total cpu time spent up to now is 500.2 secs Computing kpt #: 222 total cpu time spent up to now is 501.4 secs Computing kpt #: 223 total cpu time spent up to now is 502.5 secs Computing kpt #: 224 total cpu time spent up to now is 503.6 secs Computing kpt #: 225 total cpu time spent up to now is 504.6 secs Computing kpt #: 226 total cpu time spent up to now is 505.5 secs Computing kpt #: 227 total cpu time spent up to now is 506.6 secs Computing kpt #: 228 total cpu time spent up to now is 507.7 secs Computing kpt #: 229 total cpu time spent up to now is 508.8 secs Computing kpt #: 230 total cpu time spent up to now is 509.9 secs Computing kpt #: 231 total cpu time spent up to now is 511.1 secs Computing kpt #: 232 total cpu time spent up to now is 512.1 secs Computing kpt #: 233 total cpu time spent up to now is 513.4 secs Computing kpt #: 234 total cpu time spent up to now is 514.5 secs Computing kpt #: 235 total cpu time spent up to now is 515.8 secs Computing kpt #: 236 total cpu time spent up to now is 517.1 secs Computing kpt #: 237 total cpu time spent up to now is 518.5 secs Computing kpt #: 238 total cpu time spent up to now is 520.0 secs Computing kpt #: 239 total cpu time spent up to now is 521.3 secs Computing kpt #: 240 total cpu time spent up to now is 522.6 secs Computing kpt #: 241 total cpu time spent up to now is 524.0 secs Computing kpt #: 242 total cpu time spent up to now is 525.5 secs Computing kpt #: 243 total cpu time spent up to now is 527.1 secs Computing kpt #: 244 total cpu time spent up to now is 528.6 secs Computing kpt #: 245 total cpu time spent up to now is 530.2 secs Computing kpt #: 246 total cpu time spent up to now is 531.8 secs Computing kpt #: 247 total cpu time spent up to now is 533.3 secs Computing kpt #: 248 total cpu time spent up to now is 535.0 secs Computing kpt #: 249 total cpu time spent up to now is 536.8 secs Computing kpt #: 250 total cpu time spent up to now is 538.4 secs Computing kpt #: 251 total cpu time spent up to now is 540.1 secs Computing kpt #: 252 total cpu time spent up to now is 541.8 secs Computing kpt #: 253 total cpu time spent up to now is 543.6 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 547.5 secs Computing kpt #: 256 total cpu time spent up to now is 549.6 secs Computing kpt #: 257 total cpu time spent up to now is 552.0 secs Computing kpt #: 258 total cpu time spent up to now is 554.5 secs Computing kpt #: 259 total cpu time spent up to now is 557.1 secs Computing kpt #: 260 total cpu time spent up to now is 559.9 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.1 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.2 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.0 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.2 secs Computing kpt #: 269 total cpu time spent up to now is 586.4 secs Computing kpt #: 270 total cpu time spent up to now is 587.6 secs Computing kpt #: 271 total cpu time spent up to now is 588.7 secs Computing kpt #: 272 total cpu time spent up to now is 589.9 secs Computing kpt #: 273 total cpu time spent up to now is 591.1 secs Computing kpt #: 274 total cpu time spent up to now is 592.4 secs Computing kpt #: 275 total cpu time spent up to now is 593.6 secs Computing kpt #: 276 total cpu time spent up to now is 594.8 secs Computing kpt #: 277 total cpu time spent up to now is 596.0 secs Computing kpt #: 278 total cpu time spent up to now is 597.2 secs Computing kpt #: 279 total cpu time spent up to now is 598.5 secs Computing kpt #: 280 total cpu time spent up to now is 599.7 secs Computing kpt #: 281 total cpu time spent up to now is 600.8 secs Computing kpt #: 282 total cpu time spent up to now is 602.1 secs Computing kpt #: 283 total cpu time spent up to now is 603.2 secs Computing kpt #: 284 total cpu time spent up to now is 604.4 secs Computing kpt #: 285 total cpu time spent up to now is 605.6 secs Computing kpt #: 286 total cpu time spent up to now is 607.0 secs Computing kpt #: 287 total cpu time spent up to now is 608.2 secs Computing kpt #: 288 total cpu time spent up to now is 609.5 secs Computing kpt #: 289 total cpu time spent up to now is 610.7 secs Computing kpt #: 290 total cpu time spent up to now is 612.0 secs Computing kpt #: 291 total cpu time spent up to now is 613.2 secs Computing kpt #: 292 total cpu time spent up to now is 614.6 secs Computing kpt #: 293 total cpu time spent up to now is 616.1 secs Computing kpt #: 294 total cpu time spent up to now is 617.3 secs Computing kpt #: 295 total cpu time spent up to now is 618.5 secs Computing kpt #: 296 total cpu time spent up to now is 619.8 secs Computing kpt #: 297 total cpu time spent up to now is 621.0 secs Computing kpt #: 298 total cpu time spent up to now is 622.5 secs Computing kpt #: 299 total cpu time spent up to now is 624.0 secs Computing kpt #: 300 total cpu time spent up to now is 625.3 secs Computing kpt #: 301 total cpu time spent up to now is 627.1 secs Computing kpt #: 302 total cpu time spent up to now is 628.8 secs Computing kpt #: 303 total cpu time spent up to now is 630.4 secs Computing kpt #: 304 total cpu time spent up to now is 631.8 secs Computing kpt #: 305 total cpu time spent up to now is 633.6 secs Computing kpt #: 306 total cpu time spent up to now is 635.3 secs Computing kpt #: 307 total cpu time spent up to now is 637.4 secs Computing kpt #: 308 total cpu time spent up to now is 639.5 secs Computing kpt #: 309 total cpu time spent up to now is 641.9 secs Computing kpt #: 310 total cpu time spent up to now is 644.4 secs Computing kpt #: 311 total cpu time spent up to now is 647.0 secs Computing kpt #: 312 total cpu time spent up to now is 649.1 secs Computing kpt #: 313 total cpu time spent up to now is 651.7 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.9 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.1 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 661.3 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.5 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.7 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.9 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.0 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.2 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.3 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.6 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.7 secs ethr = 2.50E-11, avg # of iterations = 60.9 total cpu time spent up to now is 686.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8813 -22.2296 -22.2296 -22.2252 -22.2252 -14.7310 -14.7310 -6.7151 -6.7151 -6.0528 -6.0528 -6.0489 -6.0489 -1.2701 -1.2701 0.6556 0.6556 0.6589 0.6589 7.7322 7.7322 7.9325 7.9325 7.9345 7.9345 8.6617 8.6617 8.6706 8.6706 8.9939 8.9939 9.3752 9.3752 9.5388 9.5388 9.5988 9.5988 12.6027 12.6027 12.6134 12.6134 12.7816 12.7816 14.6424 14.6436 k = 0.0128-0.0001-0.0001 ( 2801 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8812 -22.2296 -22.2296 -22.2252 -22.2251 -14.7308 -14.7308 -6.7152 -6.7149 -6.0530 -6.0525 -6.0489 -6.0489 -1.2698 -1.2697 0.6559 0.6560 0.6589 0.6596 7.7289 7.7334 7.9279 7.9316 7.9344 7.9349 8.6597 8.6599 8.6678 8.6697 8.9923 8.9935 9.3600 9.3843 9.5268 9.5491 9.5992 9.5996 12.6032 12.6039 12.6137 12.6159 12.7814 12.7832 14.6430 14.6433 k = 0.0256-0.0001-0.0001 ( 2803 PWs) bands (ev): -46.1581 -46.1581 -22.8814 -22.8813 -22.2296 -22.2296 -22.2253 -22.2251 -14.7303 -14.7303 -6.7154 -6.7148 -6.0531 -6.0522 -6.0488 -6.0488 -1.2689 -1.2686 0.6569 0.6571 0.6598 0.6612 7.7234 7.7323 7.9190 7.9266 7.9333 7.9342 8.6541 8.6544 8.6613 8.6651 8.9886 8.9909 9.3403 9.3857 9.5156 9.5554 9.6000 9.6025 12.6029 12.6065 12.6191 12.6212 12.7826 12.7862 14.6427 14.6432 k = 0.0385-0.0002-0.0002 ( 2805 PWs) bands (ev): -46.1581 -46.1581 -22.8816 -22.8813 -22.2298 -22.2298 -22.2254 -22.2252 -14.7295 -14.7294 -6.7157 -6.7147 -6.0532 -6.0519 -6.0486 -6.0485 -1.2673 -1.2668 0.6585 0.6589 0.6615 0.6638 7.7153 7.7289 7.9063 7.9180 7.9313 7.9323 8.6449 8.6451 8.6515 8.6569 8.9830 8.9863 9.3172 9.3785 9.5068 9.5570 9.6005 9.6073 12.6014 12.6087 12.6303 12.6313 12.7854 12.7905 14.6425 14.6433 k = 0.0513-0.0002-0.0002 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8818 -22.8815 -22.2300 -22.2300 -22.2256 -22.2253 -14.7283 -14.7283 -6.7160 -6.7147 -6.0532 -6.0515 -6.0482 -6.0482 -1.2650 -1.2644 0.6605 0.6611 0.6642 0.6674 7.7044 7.7226 7.8902 7.9061 7.9282 7.9295 8.6321 8.6322 8.6386 8.6455 8.9753 8.9795 9.2913 9.3630 9.5004 9.5546 9.6003 9.6124 12.5997 12.6102 12.6464 12.6465 12.7900 12.7963 14.6423 14.6433 k = 0.0641-0.0003-0.0003 ( 2811 PWs) bands (ev): -46.1581 -46.1581 -22.8820 -22.8817 -22.2304 -22.2303 -22.2258 -22.2255 -14.7268 -14.7268 -6.7165 -6.7149 -6.0530 -6.0509 -6.0477 -6.0477 -1.2621 -1.2614 0.6630 0.6636 0.6681 0.6720 7.6899 7.7126 7.8715 7.8916 7.9243 7.9256 8.6159 8.6160 8.6232 8.6310 8.9655 8.9705 9.2634 9.3409 9.4953 9.5497 9.5988 9.6159 12.5987 12.6115 12.6665 12.6671 12.7965 12.8037 14.6420 14.6432 k = 0.0769-0.0004-0.0004 ( 2809 PWs) bands (ev): -46.1581 -46.1581 -22.8823 -22.8818 -22.2308 -22.2306 -22.2260 -22.2256 -14.7250 -14.7249 -6.7172 -6.7153 -6.0526 -6.0502 -6.0471 -6.0470 -1.2586 -1.2577 0.6660 0.6666 0.6730 0.6775 7.6714 7.6979 7.8516 7.8752 7.9193 7.9208 8.5965 8.5966 8.6056 8.6137 8.9537 8.9593 9.2339 9.3141 9.4900 9.5428 9.5957 9.6168 12.5985 12.6132 12.6910 12.6919 12.8052 12.8129 14.6416 14.6431 k = 0.0897-0.0004-0.0004 ( 2817 PWs) bands (ev): -46.1581 -46.1581 -22.8826 -22.8821 -22.2313 -22.2311 -22.2261 -22.2258 -14.7229 -14.7228 -6.7182 -6.7160 -6.0520 -6.0494 -6.0462 -6.0460 -1.2546 -1.2535 0.6694 0.6700 0.6788 0.6839 7.6480 7.6772 7.8319 7.8579 7.9134 7.9150 8.5743 8.5747 8.5860 8.5939 8.9399 8.9460 9.2032 9.2839 9.4838 9.5344 9.5905 9.6145 12.5996 12.6156 12.7196 12.7207 12.8162 12.8244 14.6412 14.6429 k = 0.1026-0.0005-0.0005 ( 2817 PWs) bands (ev): -46.1580 -46.1580 -22.8830 -22.8824 -22.2320 -22.2317 -22.2263 -22.2259 -14.7205 -14.7204 -6.7196 -6.7170 -6.0511 -6.0484 -6.0452 -6.0446 -1.2499 -1.2487 0.6733 0.6739 0.6855 0.6912 7.6192 7.6495 7.8138 7.8405 7.9064 7.9081 8.5498 8.5505 8.5646 8.5720 8.9242 8.9305 9.1715 9.2512 9.4762 9.5248 9.5832 9.6088 12.6022 12.6188 12.7521 12.7531 12.8300 12.8383 14.6408 14.6427 k = 0.1154-0.0005-0.0005 ( 2819 PWs) bands (ev): -46.1580 -46.1580 -22.8834 -22.8828 -22.2327 -22.2323 -22.2264 -22.2260 -14.7178 -14.7177 -6.7214 -6.7186 -6.0499 -6.0474 -6.0438 -6.0427 -1.2448 -1.2434 0.6776 0.6782 0.6930 0.6993 7.5849 7.6145 7.7978 7.8236 7.8982 7.9001 8.5232 8.5245 8.5418 8.5483 8.9065 8.9131 9.1391 9.2165 9.4672 9.5140 9.5735 9.5996 12.6061 12.6230 12.7880 12.7885 12.8467 12.8553 14.6403 14.6425 k = 0.1282-0.0006-0.0006 ( 2819 PWs) bands (ev): -46.1580 -46.1580 -22.8838 -22.8831 -22.2335 -22.2331 -22.2264 -22.2261 -14.7148 -14.7147 -6.7237 -6.7207 -6.0484 -6.0463 -6.0420 -6.0400 -1.2392 -1.2376 0.6823 0.6829 0.7013 0.7082 7.5451 7.5729 7.7836 7.8073 7.8888 7.8909 8.4951 8.4972 8.5179 8.5231 8.8872 8.8938 9.1060 9.1802 9.4566 9.5022 9.5614 9.5870 12.6113 12.6281 12.8264 12.8271 12.8668 12.8761 14.6398 14.6422 k = 0.1410-0.0007-0.0007 ( 2817 PWs) bands (ev): -46.1580 -46.1580 -22.8842 -22.8835 -22.2345 -22.2339 -22.2265 -22.2262 -14.7116 -14.7115 -6.7267 -6.7234 -6.0468 -6.0452 -6.0394 -6.0367 -1.2331 -1.2314 0.6874 0.6880 0.7104 0.7177 7.5001 7.5255 7.7707 7.7918 7.8782 7.8804 8.4657 8.4688 8.4931 8.4970 8.8663 8.8729 9.0725 9.1426 9.4445 9.4894 9.5472 9.5712 12.6177 12.6340 12.8651 12.8685 12.8909 12.9022 14.6392 14.6418 k = 0.1538-0.0007-0.0007 ( 2813 PWs) bands (ev): -46.1579 -46.1579 -22.8847 -22.8839 -22.2354 -22.2349 -22.2265 -22.2262 -14.7082 -14.7081 -6.7303 -6.7269 -6.0452 -6.0441 -6.0358 -6.0324 -1.2267 -1.2247 0.6929 0.6935 0.7201 0.7279 7.4506 7.4735 7.7584 7.7766 7.8662 7.8687 8.4355 8.4399 8.4678 8.4701 8.8441 8.8505 9.0386 9.1038 9.4311 9.4758 9.5311 9.5527 12.6249 12.6405 12.9021 12.9090 12.9221 12.9359 14.6385 14.6414 k = 0.1667-0.0008-0.0008 ( 2813 PWs) bands (ev): -46.1579 -46.1579 -22.8852 -22.8844 -22.2365 -22.2359 -22.2265 -22.2262 -14.7046 -14.7045 -6.7347 -6.7311 -6.0437 -6.0429 -6.0313 -6.0273 -1.2199 -1.2178 0.6987 0.6993 0.7304 0.7387 7.3972 7.4177 7.7462 7.7617 7.8529 7.8555 8.4046 8.4105 8.4422 8.4429 8.8206 8.8268 9.0044 9.0642 9.4164 9.4614 9.5134 9.5317 12.6327 12.6474 12.9370 12.9433 12.9655 12.9776 14.6378 14.6409 k = 0.1795-0.0009-0.0009 ( 2811 PWs) bands (ev): -46.1579 -46.1579 -22.8857 -22.8849 -22.2377 -22.2369 -22.2264 -22.2262 -14.7008 -14.7007 -6.7399 -6.7361 -6.0423 -6.0417 -6.0257 -6.0213 -1.2128 -1.2106 0.7048 0.7054 0.7413 0.7500 7.3406 7.3588 7.7339 7.7469 7.8383 7.8410 8.3735 8.3812 8.4156 8.4167 8.7963 8.8021 8.9702 9.0239 9.4004 9.4462 9.4945 9.5087 12.6408 12.6545 12.9721 12.9777 13.0140 13.0246 14.6370 14.6404 k = 0.1923-0.0009-0.0009 ( 2809 PWs) bands (ev): -46.1578 -46.1578 -22.8862 -22.8854 -22.2388 -22.2381 -22.2264 -22.2262 -14.6968 -14.6967 -6.7458 -6.7419 -6.0409 -6.0404 -6.0190 -6.0143 -1.2054 -1.2031 0.7112 0.7117 0.7526 0.7617 7.2814 7.2976 7.7212 7.7318 7.8222 7.8251 8.3424 8.3520 8.3886 8.3913 8.7712 8.7766 8.9359 8.9833 9.3832 9.4303 9.4748 9.4843 12.6490 12.6616 13.0092 13.0149 13.0649 13.0746 14.6362 14.6397 k = 0.2051-0.0010-0.0010 ( 2808 PWs) bands (ev): -46.1578 -46.1578 -22.8868 -22.8859 -22.2401 -22.2392 -22.2264 -22.2262 -14.6928 -14.6926 -6.7524 -6.7485 -6.0395 -6.0392 -6.0113 -6.0064 -1.1979 -1.1954 0.7177 0.7183 0.7644 0.7738 7.2202 7.2346 7.7080 7.7165 7.8048 7.8078 8.3116 8.3233 8.3619 8.3663 8.7456 8.7506 8.9019 8.9425 9.3650 9.4136 9.4547 9.4590 12.6573 12.6688 13.0488 13.0549 13.1173 13.1264 14.6352 14.6390 k = 0.2179-0.0010-0.0010 ( 2810 PWs) bands (ev): -46.1577 -46.1577 -22.8874 -22.8865 -22.2413 -22.2405 -22.2263 -22.2261 -14.6886 -14.6884 -6.7598 -6.7559 -6.0381 -6.0378 -6.0027 -5.9976 -1.1902 -1.1876 0.7245 0.7251 0.7765 0.7862 7.1575 7.1703 7.6941 7.7007 7.7862 7.7893 8.2813 8.2951 8.3358 8.3418 8.7199 8.7242 8.8682 8.9019 9.3457 9.3958 9.4335 9.4344 12.6654 12.6759 13.0908 13.0975 13.1707 13.1796 14.6342 14.6382 k = 0.2308-0.0011-0.0011 ( 2807 PWs) bands (ev): -46.1577 -46.1577 -22.8879 -22.8870 -22.2426 -22.2417 -22.2263 -22.2261 -14.6843 -14.6842 -6.7679 -6.7639 -6.0367 -6.0365 -5.9931 -5.9880 -1.1824 -1.1797 0.7314 0.7320 0.7888 0.7987 7.0939 7.1054 7.6796 7.6845 7.7665 7.7695 8.2517 8.2676 8.3103 8.3178 8.6941 8.6978 8.8351 8.8619 9.3256 9.3765 9.4089 9.4144 12.6733 12.6829 13.1351 13.1423 13.2249 13.2336 14.6330 14.6373 k = 0.2436-0.0012-0.0012 ( 2805 PWs) bands (ev): -46.1577 -46.1577 -22.8885 -22.8876 -22.2439 -22.2430 -22.2262 -22.2260 -14.6800 -14.6798 -6.7766 -6.7727 -6.0354 -6.0352 -5.9828 -5.9776 -1.1746 -1.1718 0.7384 0.7390 0.8013 0.8115 7.0299 7.0402 7.6645 7.6678 7.7457 7.7488 8.2229 8.2410 8.2854 8.2942 8.6686 8.6715 8.8027 8.8228 9.3048 9.3548 9.3864 9.3948 12.6810 12.6897 13.1812 13.1889 13.2794 13.2880 14.6318 14.6362 k = 0.2564-0.0012-0.0012 ( 2804 PWs) bands (ev): -46.1576 -46.1576 -22.8891 -22.8882 -22.2452 -22.2442 -22.2261 -22.2260 -14.6756 -14.6755 -6.7858 -6.7819 -6.0340 -6.0338 -5.9717 -5.9665 -1.1667 -1.1639 0.7455 0.7461 0.8139 0.8242 6.9659 6.9752 7.6488 7.6508 7.7242 7.7272 8.1950 8.2153 8.2612 8.2712 8.6435 8.6456 8.7713 8.7850 9.2835 9.3309 9.3663 9.3758 12.6884 12.6963 13.2288 13.2368 13.3339 13.3425 14.6304 14.6350 k = 0.2692-0.0013-0.0013 ( 2799 PWs) bands (ev): -46.1576 -46.1576 -22.8897 -22.8887 -22.2464 -22.2455 -22.2261 -22.2259 -14.6713 -14.6712 -6.7954 -6.7916 -6.0326 -6.0325 -5.9600 -5.9549 -1.1589 -1.1560 0.7526 0.7532 0.8266 0.8369 6.9025 6.9109 7.6326 7.6333 7.7020 7.7050 8.1683 8.1906 8.2377 8.2485 8.6191 8.6202 8.7412 8.7489 9.2620 9.3054 9.3481 9.3574 12.6956 12.7028 13.2773 13.2855 13.3881 13.3967 14.6289 14.6337 k = 0.2821-0.0013-0.0013 ( 2799 PWs) bands (ev): -46.1576 -46.1576 -22.8903 -22.8893 -22.2477 -22.2468 -22.2260 -22.2259 -14.6670 -14.6669 -6.8054 -6.8017 -6.0313 -6.0312 -5.9478 -5.9428 -1.1513 -1.1483 0.7596 0.7602 0.8392 0.8495 6.8399 6.8476 7.6157 7.6160 7.6795 7.6823 8.1427 8.1669 8.2148 8.2261 8.5955 8.5956 8.7124 8.7148 9.2403 9.2795 9.3313 9.3398 12.7025 12.7091 13.3263 13.3347 13.4418 13.4503 14.6273 14.6323 k = 0.2949-0.0014-0.0014 ( 2799 PWs) bands (ev): -46.1575 -46.1575 -22.8908 -22.8899 -22.2489 -22.2480 -22.2259 -22.2258 -14.6628 -14.6626 -6.8155 -6.8119 -6.0300 -6.0299 -5.9353 -5.9304 -1.1437 -1.1408 0.7666 0.7671 0.8516 0.8619 6.7788 6.7857 7.5979 7.5991 7.6569 7.6595 8.1182 8.1443 8.1926 8.2039 8.5717 8.5728 8.6830 8.6853 9.2189 9.2537 9.3155 9.3230 12.7092 12.7151 13.3754 13.3838 13.4944 13.5029 14.6256 14.6307 k = 0.3077-0.0015-0.0015 ( 2801 PWs) bands (ev): -46.1575 -46.1575 -22.8914 -22.8905 -22.2501 -22.2492 -22.2259 -22.2258 -14.6586 -14.6585 -6.8257 -6.8223 -6.0287 -6.0286 -5.9226 -5.9178 -1.1364 -1.1334 0.7734 0.7740 0.8639 0.8739 6.7193 6.7256 7.5802 7.5821 7.6344 7.6368 8.0951 8.1227 8.1709 8.1820 8.5488 8.5512 8.6538 8.6599 9.1978 9.2285 9.3005 9.3070 12.7156 12.7210 13.4241 13.4325 13.5459 13.5543 14.6238 14.6290 k = 0.3205-0.0015-0.0015 ( 2803 PWs) bands (ev): -46.1575 -46.1575 -22.8919 -22.8911 -22.2513 -22.2504 -22.2258 -22.2257 -14.6546 -14.6544 -6.8359 -6.8327 -6.0274 -6.0274 -5.9098 -5.9052 -1.1293 -1.1264 0.7801 0.7806 0.8758 0.8856 6.6620 6.6677 7.5627 7.5652 7.6122 7.6143 8.0732 8.1021 8.1499 8.1602 8.5271 8.5307 8.6273 8.6364 9.1772 9.2041 9.2862 9.2919 12.7217 12.7266 13.4720 13.4803 13.5958 13.6041 14.6218 14.6271 k = 0.3333-0.0016-0.0016 ( 2802 PWs) bands (ev): -46.1574 -46.1574 -22.8924 -22.8916 -22.2524 -22.2516 -22.2257 -22.2256 -14.6507 -14.6506 -6.8460 -6.8429 -6.0263 -6.0262 -5.8971 -5.8928 -1.1224 -1.1196 0.7865 0.7870 0.8874 0.8969 6.6070 6.6123 7.5455 7.5485 7.5906 7.5924 8.0526 8.0825 8.1295 8.1388 8.5065 8.5113 8.6037 8.6149 9.1575 9.1808 9.2727 9.2776 12.7275 12.7319 13.5186 13.5268 13.6440 13.6521 14.6197 14.6250 k = 0.3462-0.0016-0.0016 ( 2800 PWs) bands (ev): -46.1574 -46.1574 -22.8929 -22.8921 -22.2535 -22.2527 -22.2256 -22.2255 -14.6470 -14.6468 -6.8557 -6.8529 -6.0251 -6.0251 -5.8847 -5.8806 -1.1159 -1.1132 0.7927 0.7932 0.8985 0.9076 6.5549 6.5596 7.5289 7.5322 7.5698 7.5713 8.0333 8.0640 8.1100 8.1178 8.4873 8.4932 8.5828 8.5954 9.1386 9.1587 9.2600 9.2643 12.7330 12.7370 13.5637 13.5715 13.6900 13.6980 14.6175 14.6228 k = 0.3590-0.0017-0.0017 ( 2798 PWs) bands (ev): -46.1574 -46.1574 -22.8934 -22.8926 -22.2545 -22.2537 -22.2255 -22.2255 -14.6434 -14.6433 -6.8652 -6.8625 -6.0240 -6.0240 -5.8726 -5.8688 -1.1098 -1.1071 0.7986 0.7990 0.9090 0.9177 6.5058 6.5101 7.5129 7.5164 7.5500 7.5512 8.0154 8.0465 8.0913 8.0974 8.4695 8.4763 8.5647 8.5779 9.1207 9.1380 9.2482 9.2518 12.7381 12.7417 13.6067 13.6142 13.7338 13.7415 14.6152 14.6205 k = 0.3718-0.0018-0.0018 ( 2802 PWs) bands (ev): -46.1573 -46.1573 -22.8938 -22.8931 -22.2554 -22.2547 -22.2255 -22.2254 -14.6401 -14.6400 -6.8741 -6.8717 -6.0230 -6.0230 -5.8611 -5.8575 -1.1040 -1.1015 0.8041 0.8045 0.9190 0.9272 6.4600 6.4639 7.4979 7.5014 7.5313 7.5322 7.9988 8.0299 8.0737 8.0779 8.4532 8.4607 8.5491 8.5624 9.1040 9.1187 9.2372 9.2404 12.7429 12.7462 13.6474 13.6544 13.7749 13.7823 14.6129 14.6181 k = 0.3846-0.0018-0.0018 ( 2803 PWs) bands (ev): -46.1573 -46.1573 -22.8942 -22.8936 -22.2563 -22.2556 -22.2254 -22.2254 -14.6370 -14.6370 -6.8825 -6.8803 -6.0221 -6.0220 -5.8502 -5.8469 -1.0987 -1.0964 0.8092 0.8096 0.9283 0.9359 6.4178 6.4213 7.4838 7.4873 7.5139 7.5145 7.9838 8.0142 8.0572 8.0595 8.4385 8.4464 8.5359 8.5488 9.0886 9.1010 9.2272 9.2299 12.7474 12.7502 13.6854 13.6919 13.8131 13.8202 14.6105 14.6156 k = 0.3974-0.0019-0.0019 ( 2802 PWs) bands (ev): -46.1573 -46.1573 -22.8946 -22.8940 -22.2571 -22.2565 -22.2254 -22.2253 -14.6342 -14.6342 -6.8902 -6.8883 -6.0212 -6.0212 -5.8400 -5.8371 -1.0938 -1.0917 0.8139 0.8143 0.9368 0.9438 6.3794 6.3825 7.4709 7.4742 7.4980 7.4983 7.9702 7.9994 8.0420 8.0427 8.4255 8.4334 8.5248 8.5370 9.0745 9.0849 9.2181 9.2204 12.7514 12.7539 13.7203 13.7263 13.8483 13.8549 14.6082 14.6130 k = 0.4103-0.0020-0.0019 ( 2804 PWs) bands (ev): -46.1573 -46.1573 -22.8949 -22.8944 -22.2577 -22.2572 -22.2253 -22.2253 -14.6317 -14.6316 -6.8972 -6.8955 -6.0205 -6.0204 -5.8308 -5.8282 -1.0894 -1.0875 0.8181 0.8185 0.9446 0.9508 6.3451 6.3478 7.4592 7.4623 7.4837 7.4837 7.9582 7.9856 8.0276 8.0282 8.4142 8.4218 8.5156 8.5269 9.0619 9.0705 9.2101 9.2120 12.7551 12.7573 13.7519 13.7573 13.8801 13.8862 14.6059 14.6104 k = 0.4231-0.0020-0.0020 ( 2804 PWs) bands (ev): -46.1572 -46.1572 -22.8952 -22.8947 -22.2583 -22.2579 -22.2253 -22.2253 -14.6295 -14.6294 -6.9034 -6.9019 -6.0198 -6.0198 -5.8225 -5.8203 -1.0855 -1.0838 0.8219 0.8222 0.9515 0.9570 6.3150 6.3173 7.4490 7.4516 7.4708 7.4710 7.9480 7.9728 8.0145 8.0160 8.4045 8.4115 8.5083 8.5182 9.0509 9.0578 9.2030 9.2046 12.7583 12.7602 13.7800 13.7847 13.9083 13.9138 14.6038 14.6079 k = 0.4359-0.0021-0.0021 ( 2802 PWs) bands (ev): -46.1572 -46.1572 -22.8954 -22.8950 -22.2588 -22.2584 -22.2252 -22.2252 -14.6276 -14.6275 -6.9088 -6.9075 -6.0192 -6.0192 -5.8154 -5.8135 -1.0822 -1.0807 0.8251 0.8253 0.9575 0.9622 6.2892 6.2912 7.4402 7.4424 7.4598 7.4601 7.9395 7.9611 8.0034 8.0054 8.3965 8.4027 8.5025 8.5110 9.0415 9.0469 9.1970 9.1983 12.7611 12.7626 13.8042 13.8082 13.9327 13.9375 14.6019 14.6055 k = 0.4487-0.0021-0.0021 ( 2804 PWs) bands (ev): -46.1572 -46.1572 -22.8956 -22.8953 -22.2592 -22.2589 -22.2252 -22.2252 -14.6260 -14.6260 -6.9132 -6.9122 -6.0187 -6.0187 -5.8094 -5.8078 -1.0794 -1.0782 0.8278 0.8280 0.9626 0.9664 6.2680 6.2696 7.4329 7.4347 7.4507 7.4511 7.9328 7.9507 7.9946 7.9966 8.3902 8.3954 8.4981 8.5051 9.0337 9.0379 9.1921 9.1931 12.7634 12.7646 13.8244 13.8277 13.9532 13.9571 14.6003 14.6033 k = 0.4615-0.0022-0.0022 ( 2802 PWs) bands (ev): -46.1572 -46.1572 -22.8957 -22.8955 -22.2595 -22.2593 -22.2252 -22.2252 -14.6248 -14.6247 -6.9166 -6.9159 -6.0183 -6.0183 -5.8046 -5.8034 -1.0772 -1.0763 0.8299 0.8300 0.9667 0.9696 6.2515 6.2526 7.4272 7.4286 7.4435 7.4439 7.9281 7.9418 7.9878 7.9896 8.3854 8.3895 8.4951 8.5004 9.0277 9.0308 9.1883 9.1891 12.7653 12.7662 13.8404 13.8429 13.9694 13.9724 14.5991 14.6014 k = 0.4744-0.0023-0.0022 ( 2800 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8956 -22.2597 -22.2596 -22.2252 -22.2252 -14.6239 -14.6238 -6.9191 -6.9186 -6.0181 -6.0181 -5.8011 -5.8003 -1.0755 -1.0749 0.8314 0.8315 0.9698 0.9717 6.2396 6.2404 7.4232 7.4241 7.4385 7.4387 7.9253 7.9347 7.9831 7.9844 8.3823 8.3850 8.4932 8.4968 9.0235 9.0255 9.1856 9.1861 12.7667 12.7673 13.8520 13.8537 13.9813 13.9833 14.5982 14.5998 k = 0.4872-0.0023-0.0023 ( 2796 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8957 -22.2598 -22.2597 -22.2251 -22.2251 -14.6233 -14.6233 -6.9205 -6.9202 -6.0179 -6.0179 -5.7988 -5.7985 -1.0745 -1.0742 0.8323 0.8324 0.9719 0.9728 6.2326 6.2330 7.4209 7.4213 7.4354 7.4356 7.9246 7.9293 7.9805 7.9811 8.3807 8.3820 8.4925 8.4943 9.0212 9.0222 9.1840 9.1843 12.7675 12.7678 13.8592 13.8601 13.9887 13.9897 14.5979 14.5987 k = 0.5000-0.0024-0.0024 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8958 -22.2598 -22.2598 -22.2251 -22.2251 -14.6231 -14.6231 -6.9209 -6.9209 -6.0179 -6.0179 -5.7980 -5.7980 -1.0740 -1.0740 0.8327 0.8327 0.9729 0.9729 6.2304 6.2304 7.4203 7.4203 7.4345 7.4345 7.9260 7.9260 7.9798 7.9798 8.3806 8.3806 8.4929 8.4929 9.0208 9.0208 9.1836 9.1836 12.7679 12.7679 13.8619 13.8619 13.9915 13.9915 14.5980 14.5980 k = 0.5000-0.0024-0.0024 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8958 -22.2598 -22.2598 -22.2251 -22.2251 -14.6231 -14.6231 -6.9209 -6.9209 -6.0179 -6.0179 -5.7980 -5.7980 -1.0740 -1.0740 0.8327 0.8327 0.9729 0.9729 6.2304 6.2304 7.4203 7.4203 7.4345 7.4345 7.9260 7.9260 7.9798 7.9798 8.3806 8.3806 8.4929 8.4929 9.0208 9.0208 9.1836 9.1836 12.7679 12.7679 13.8619 13.8619 13.9915 13.9915 14.5980 14.5980 k = 0.5000 0.0066-0.0114 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8957 -22.2599 -22.2598 -22.2253 -22.2251 -14.6230 -14.6230 -6.9203 -6.9200 -6.0180 -6.0175 -5.7985 -5.7982 -1.0759 -1.0725 0.8297 0.8355 0.9713 0.9731 6.2298 6.2305 7.4126 7.4217 7.4324 7.4412 7.9084 7.9330 7.9586 7.9892 8.3756 8.3979 8.4849 8.5118 9.0062 9.0193 9.1821 9.1958 12.7671 12.7696 13.8609 13.8623 13.9910 13.9922 14.6012 14.6023 k = 0.5000 0.0156-0.0205 ( 2802 PWs) bands (ev): -46.1572 -46.1572 -22.8960 -22.8958 -22.2600 -22.2598 -22.2255 -22.2252 -14.6227 -14.6227 -6.9182 -6.9176 -6.0178 -6.0169 -5.7997 -5.7991 -1.0780 -1.0713 0.8266 0.8382 0.9685 0.9721 6.2287 6.2300 7.4033 7.4141 7.4378 7.4478 7.8803 7.9252 7.9315 7.9883 8.3835 8.4234 8.4900 8.5393 8.9804 9.0021 9.1911 9.2139 12.7672 12.7722 13.8594 13.8621 13.9907 13.9931 14.6118 14.6140 k = 0.5000 0.0246-0.0295 ( 2800 PWs) bands (ev): -46.1572 -46.1572 -22.8961 -22.8958 -22.2601 -22.2598 -22.2257 -22.2253 -14.6222 -14.6221 -6.9146 -6.9137 -6.0175 -6.0161 -5.8016 -5.8007 -1.0805 -1.0705 0.8232 0.8407 0.9645 0.9699 6.2271 6.2292 7.3928 7.4041 7.4437 7.4538 7.8435 7.8833 7.9221 7.9795 8.4024 8.4515 8.5100 8.5730 8.9478 8.9741 9.2059 9.2336 12.7683 12.7757 13.8574 13.8612 13.9907 13.9941 14.6296 14.6329 k = 0.5000 0.0336-0.0386 ( 2800 PWs) bands (ev): -46.1572 -46.1572 -22.8963 -22.8959 -22.2602 -22.2598 -22.2261 -22.2255 -14.6214 -14.6214 -6.9095 -6.9084 -6.0169 -6.0151 -5.8042 -5.8030 -1.0834 -1.0700 0.8196 0.8429 0.9594 0.9666 6.2251 6.2278 7.3807 7.3927 7.4492 7.4591 7.7998 7.8343 7.9085 7.9654 8.4296 8.4795 8.5432 8.6108 8.9114 8.9400 9.2220 9.2524 12.7707 12.7804 13.8554 13.8600 13.9909 13.9950 14.6543 14.6586 k = 0.5000 0.0426-0.0476 ( 2798 PWs) bands (ev): -46.1572 -46.1572 -22.8965 -22.8960 -22.2603 -22.2599 -22.2265 -22.2258 -14.6204 -14.6204 -6.9030 -6.9015 -6.0161 -6.0138 -5.8074 -5.8059 -1.0867 -1.0700 0.8156 0.8446 0.9532 0.9622 6.2226 6.2260 7.3669 7.3797 7.4540 7.4637 7.7513 7.7812 7.8922 7.9479 8.4624 8.5088 8.5838 8.6505 8.8728 8.9031 9.2370 9.2688 12.7748 12.7867 13.8533 13.8587 13.9913 13.9960 14.6856 14.6909 k = 0.5000 0.0516-0.0567 ( 2802 PWs) bands (ev): -46.1571 -46.1571 -22.8968 -22.8962 -22.2605 -22.2600 -22.2270 -22.2261 -14.6192 -14.6192 -6.8949 -6.8932 -6.0150 -6.0124 -5.8112 -5.8094 -1.0904 -1.0705 0.8111 0.8455 0.9463 0.9569 6.2198 6.2238 7.3508 7.3646 7.4579 7.4673 7.6999 7.7265 7.8745 7.9288 8.4989 8.5406 8.6269 8.6896 8.8341 8.8664 9.2498 9.2823 12.7809 12.7948 13.8515 13.8573 13.9919 13.9970 14.7230 14.7292 k = 0.5000 0.0607-0.0657 ( 2802 PWs) bands (ev): -46.1571 -46.1571 -22.8971 -22.8964 -22.2607 -22.2601 -22.2275 -22.2265 -14.6179 -14.6178 -6.8855 -6.8835 -6.0138 -6.0107 -5.8156 -5.8135 -1.0946 -1.0715 0.8058 0.8453 0.9390 0.9508 6.2166 6.2212 7.3318 7.3470 7.4609 7.4699 7.6476 7.6721 7.8564 7.9090 8.5371 8.5739 8.6679 8.7222 8.7992 8.8361 9.2595 9.2923 12.7893 12.8050 13.8502 13.8562 13.9927 13.9980 14.7659 14.7730 k = 0.5000 0.0697-0.0748 ( 2804 PWs) bands (ev): -46.1571 -46.1571 -22.8974 -22.8967 -22.2609 -22.2602 -22.2282 -22.2270 -14.6163 -14.6163 -6.8746 -6.8724 -6.0123 -6.0088 -5.8205 -5.8181 -1.0993 -1.0731 0.7995 0.8434 0.9318 0.9440 6.2132 6.2183 7.3093 7.3259 7.4626 7.4712 7.5962 7.6196 7.8387 7.8896 8.5742 8.6050 8.6973 8.7324 8.7811 8.8296 9.2660 9.2988 12.8004 12.8178 13.8494 13.8555 13.9937 13.9991 14.8140 14.8218 k = 0.5000 0.0787-0.0838 ( 2800 PWs) bands (ev): -46.1571 -46.1571 -22.8978 -22.8969 -22.2611 -22.2603 -22.2288 -22.2276 -14.6145 -14.6145 -6.8623 -6.8598 -6.0106 -6.0066 -5.8258 -5.8232 -1.1046 -1.0754 0.7921 0.8393 0.9250 0.9369 6.2095 6.2151 7.2824 7.3001 7.4630 7.4708 7.5480 7.5708 7.8218 7.8709 8.6028 8.6208 8.7080 8.7208 8.7979 8.8543 9.2692 9.3017 12.8145 12.8333 13.8492 13.8554 13.9951 14.0005 14.8667 14.8751 k = 0.5000 0.0877-0.0929 ( 2798 PWs) bands (ev): -46.1570 -46.1570 -22.8982 -22.8972 -22.2613 -22.2605 -22.2296 -22.2282 -14.6125 -14.6125 -6.8487 -6.8459 -6.0086 -6.0043 -5.8315 -5.8287 -1.1106 -1.0783 0.7833 0.8324 0.9193 0.9294 6.2056 6.2117 7.2505 7.2687 7.4618 7.4680 7.5055 7.5266 7.8060 7.8534 8.6018 8.6078 8.7243 8.7313 8.8345 8.8909 9.2691 9.3011 12.8318 12.8519 13.8499 13.8559 13.9969 14.0023 14.9235 14.9325 k = 0.5000 0.0967-0.1019 ( 2802 PWs) bands (ev): -46.1570 -46.1570 -22.8986 -22.8976 -22.2616 -22.2607 -22.2304 -22.2289 -14.6104 -14.6104 -6.8337 -6.8307 -6.0065 -6.0018 -5.8376 -5.8345 -1.1173 -1.0821 0.7729 0.8225 0.9146 0.9217 6.2017 6.2082 7.2135 7.2311 7.4563 7.4588 7.4760 7.4878 7.7914 7.8373 8.5679 8.5801 8.7544 8.7692 8.8755 8.9301 9.2660 9.2972 12.8525 12.8736 13.8513 13.8571 13.9993 14.0045 14.9840 14.9935 k = 0.5000 0.1057-0.1109 ( 2800 PWs) bands (ev): -46.1570 -46.1570 -22.8991 -22.8980 -22.2618 -22.2609 -22.2313 -22.2296 -14.6081 -14.6080 -6.8174 -6.8142 -6.0042 -5.9991 -5.8439 -5.8406 -1.1247 -1.0867 0.7609 0.8096 0.9107 0.9141 6.1977 6.2045 7.1722 7.1881 7.4301 7.4510 7.4568 7.4653 7.7781 7.8225 8.5274 8.5417 8.7958 8.8125 8.9170 8.9695 9.2603 9.2905 12.8767 12.8987 13.8536 13.8592 14.0023 14.0073 15.0477 15.0577 k = 0.5000 0.1147-0.1200 ( 2800 PWs) bands (ev): -46.1570 -46.1570 -22.8996 -22.8984 -22.2621 -22.2611 -22.2322 -22.2304 -14.6056 -14.6055 -6.7999 -6.7964 -6.0017 -5.9962 -5.8504 -5.8468 -1.1329 -1.0922 0.7471 0.7942 0.9049 0.9086 6.1937 6.2008 7.1275 7.1412 7.4042 7.4238 7.4475 7.4570 7.7660 7.8090 8.4854 8.4998 8.8413 8.8582 8.9578 9.0082 9.2526 9.2813 12.9043 12.9271 13.8569 13.8622 14.0059 14.0108 15.1143 15.1246 k = 0.5000 0.1237-0.1290 ( 2796 PWs) bands (ev): -46.1569 -46.1569 -22.9001 -22.8988 -22.2624 -22.2613 -22.2332 -22.2313 -14.6029 -14.6029 -6.7811 -6.7774 -5.9990 -5.9932 -5.8570 -5.8532 -1.1420 -1.0987 0.7315 0.7765 0.8968 0.9054 6.1898 6.1970 7.0812 7.0923 7.3813 7.3978 7.4384 7.4473 7.7549 7.7968 8.4433 8.4570 8.8885 8.9050 8.9976 9.0457 9.2434 9.2704 12.9355 12.9588 13.8611 13.8661 14.0104 14.0151 15.1833 15.1939 k = 0.5000 0.1327-0.1381 ( 2790 PWs) bands (ev): -46.1569 -46.1569 -22.9006 -22.8992 -22.2627 -22.2615 -22.2342 -22.2322 -14.6001 -14.6001 -6.7611 -6.7572 -5.9961 -5.9900 -5.8636 -5.8597 -1.1520 -1.1062 0.7142 0.7570 0.8879 0.9019 6.1860 6.1933 7.0344 7.0432 7.3604 7.3740 7.4271 7.4356 7.7445 7.7855 8.4020 8.4144 8.9364 8.9526 9.0360 9.0815 9.2339 9.2584 12.9699 12.9936 13.8663 13.8710 14.0157 14.0203 15.2544 15.2652 k = 0.5000 0.1417-0.1471 ( 2786 PWs) bands (ev): -46.1568 -46.1568 -22.9011 -22.8997 -22.2630 -22.2617 -22.2352 -22.2331 -14.5972 -14.5972 -6.7400 -6.7358 -5.9930 -5.9866 -5.8703 -5.8661 -1.1629 -1.1147 0.6952 0.7358 0.8784 0.8977 6.1824 6.1896 6.9885 6.9950 7.3408 7.3517 7.4138 7.4219 7.7346 7.7750 8.3617 8.3727 8.9844 9.0003 9.0729 9.1147 9.2255 9.2463 13.0075 13.0314 13.8726 13.8770 14.0219 14.0264 15.3273 15.3383 k = 0.5000 0.1507-0.1562 ( 2788 PWs) bands (ev): -46.1568 -46.1568 -22.9017 -22.9003 -22.2633 -22.2620 -22.2364 -22.2342 -14.5941 -14.5941 -6.7178 -6.7134 -5.9898 -5.9832 -5.8768 -5.8725 -1.1747 -1.1242 0.6748 0.7133 0.8680 0.8924 6.1789 6.1859 6.9445 6.9488 7.3218 7.3304 7.3984 7.4063 7.7249 7.7650 8.3226 8.3319 9.0322 9.0479 9.1076 9.1431 9.2210 9.2358 13.0479 13.0720 13.8800 13.8841 14.0291 14.0334 15.4017 15.4128 k = 0.5000 0.1597-0.1652 ( 2786 PWs) bands (ev): -46.1567 -46.1567 -22.9023 -22.9008 -22.2637 -22.2623 -22.2375 -22.2352 -14.5910 -14.5909 -6.6946 -6.6900 -5.9865 -5.9796 -5.8831 -5.8787 -1.1875 -1.1348 0.6530 0.6896 0.8565 0.8856 6.1756 6.1823 6.9030 6.9055 7.3025 7.3095 7.3810 7.3888 7.7153 7.7554 8.2848 8.2924 9.0794 9.0949 9.1382 9.1621 9.2217 9.2336 13.0910 13.1151 13.8885 13.8923 14.0373 14.0414 15.4772 15.4884 k = 0.5000 0.1687-0.1743 ( 2782 PWs) bands (ev): -46.1567 -46.1567 -22.9029 -22.9014 -22.2640 -22.2626 -22.2387 -22.2363 -14.5877 -14.5877 -6.6703 -6.6656 -5.9830 -5.9758 -5.8892 -5.8847 -1.2012 -1.1465 0.6299 0.6648 0.8436 0.8772 6.1725 6.1786 6.8644 6.8661 7.2824 7.2888 7.3617 7.3697 7.7057 7.7461 8.2482 8.2539 9.1255 9.1408 9.1572 9.1737 9.2243 9.2514 13.1365 13.1604 13.8981 13.9016 14.0464 14.0504 15.5536 15.5648 k = 0.5000 0.1777-0.1833 ( 2790 PWs) bands (ev): -46.1567 -46.1567 -22.9036 -22.9020 -22.2644 -22.2629 -22.2400 -22.2375 -14.5843 -14.5843 -6.6452 -6.6404 -5.9795 -5.9721 -5.8949 -5.8904 -1.2158 -1.1592 0.6058 0.6392 0.8292 0.8670 6.1694 6.1749 6.8286 6.8316 7.2610 7.2681 7.3407 7.3492 7.6960 7.7371 8.2126 8.2165 9.1583 9.1703 9.1826 9.1860 9.2414 9.2786 13.1839 13.2076 13.9089 13.9121 14.0565 14.0604 15.6306 15.6417 k = 0.5000 0.1867-0.1924 ( 2792 PWs) bands (ev): -46.1566 -46.1566 -22.9043 -22.9026 -22.2647 -22.2633 -22.2412 -22.2387 -14.5808 -14.5808 -6.6192 -6.6142 -5.9758 -5.9682 -5.9003 -5.8958 -1.2314 -1.1730 0.5808 0.6127 0.8132 0.8547 6.1663 6.1711 6.7967 6.8017 7.2380 7.2468 7.3185 7.3278 7.6864 7.7283 8.1778 8.1802 9.1594 9.1795 9.2172 9.2277 9.2710 9.3089 13.2330 13.2565 13.9208 13.9239 14.0675 14.0714 15.7079 15.7190 k = 0.5000 0.1957-0.2014 ( 2796 PWs) bands (ev): -46.1566 -46.1566 -22.9050 -22.9033 -22.2651 -22.2636 -22.2425 -22.2399 -14.5773 -14.5773 -6.5925 -6.5873 -5.9720 -5.9643 -5.9053 -5.9007 -1.2478 -1.1878 0.5549 0.5856 0.7953 0.8403 6.1631 6.1671 6.7693 6.7766 7.2133 7.2242 7.2954 7.3058 7.6769 7.7199 8.1433 8.1450 9.1611 9.1802 9.2588 9.2663 9.3065 9.3406 13.2835 13.3066 13.9339 13.9368 14.0795 14.0833 15.7852 15.7962 k = 0.5000 0.2047-0.2105 ( 2794 PWs) bands (ev): -46.1565 -46.1565 -22.9057 -22.9039 -22.2655 -22.2640 -22.2438 -22.2412 -14.5737 -14.5737 -6.5650 -6.5597 -5.9683 -5.9604 -5.9096 -5.9052 -1.2651 -1.2036 0.5284 0.5580 0.7754 0.8236 6.1597 6.1628 6.7465 6.7563 7.1868 7.2000 7.2717 7.2835 7.6677 7.7118 8.1088 8.1114 9.1656 9.1832 9.2977 9.3021 9.3453 9.3734 13.3350 13.3577 13.9482 13.9508 14.0924 14.0961 15.8621 15.8730 k = 0.5000 0.2137-0.2195 ( 2794 PWs) bands (ev): -46.1565 -46.1565 -22.9064 -22.9046 -22.2659 -22.2643 -22.2451 -22.2424 -14.5701 -14.5701 -6.5369 -6.5315 -5.9645 -5.9565 -5.9134 -5.9092 -1.2832 -1.2204 0.5013 0.5299 0.7535 0.8046 6.1558 6.1582 6.7286 6.7411 7.1587 7.1740 7.2477 7.2613 7.6587 7.7042 8.0746 8.0786 9.1735 9.1895 9.3316 9.3379 9.3855 9.4071 13.3872 13.4094 13.9637 13.9661 14.1062 14.1098 15.9384 15.9492 k = 0.5000 0.2227-0.2286 ( 2794 PWs) bands (ev): -46.1564 -46.1564 -22.9071 -22.9053 -22.2662 -22.2647 -22.2464 -22.2437 -14.5664 -14.5664 -6.5082 -6.5027 -5.9607 -5.9527 -5.9165 -5.9126 -1.3021 -1.2381 0.4738 0.5014 0.7296 0.7833 6.1512 6.1531 6.7154 6.7307 7.1291 7.1465 7.2234 7.2392 7.6501 7.6970 8.0413 8.0468 9.1851 9.1995 9.3623 9.3726 9.4259 9.4416 13.4398 13.4615 13.9803 13.9825 14.1208 14.1244 16.0137 16.0244 k = 0.5000 0.2318-0.2376 ( 2796 PWs) bands (ev): -46.1564 -46.1564 -22.9078 -22.9060 -22.2666 -22.2651 -22.2478 -22.2450 -14.5627 -14.5627 -6.4790 -6.4735 -5.9570 -5.9490 -5.9189 -5.9153 -1.3216 -1.2566 0.4460 0.4728 0.7037 0.7597 6.1458 6.1477 6.7068 6.7251 7.0986 7.1179 7.1988 7.2172 7.6418 7.6902 8.0090 8.0159 9.2005 9.2134 9.3916 9.4052 9.4657 9.4768 13.4926 13.5136 13.9980 14.0001 14.1361 14.1396 16.0876 16.0982 k = 0.5000 0.2408-0.2467 ( 2804 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9067 -22.2670 -22.2655 -22.2491 -22.2463 -14.5590 -14.5590 -6.4495 -6.4439 -5.9535 -5.9455 -5.9203 -5.9174 -1.3419 -1.2759 0.4179 0.4439 0.6758 0.7338 6.1394 6.1417 6.7022 6.7236 7.0679 7.0892 7.1737 7.1950 7.6339 7.6838 7.9781 7.9864 9.2194 9.2309 9.4199 9.4358 9.5045 9.5121 13.5451 13.5655 14.0168 14.0187 14.1521 14.1556 16.1595 16.1702 k = 0.5000 0.2498-0.2557 ( 2804 PWs) bands (ev): -46.1563 -46.1563 -22.9093 -22.9074 -22.2674 -22.2658 -22.2504 -22.2476 -14.5553 -14.5553 -6.4196 -6.4139 -5.9502 -5.9424 -5.9208 -5.9186 -1.3626 -1.2960 0.3898 0.4151 0.6460 0.7057 6.1323 6.1350 6.7012 6.7256 7.0378 7.0612 7.1479 7.1726 7.6262 7.6777 7.9490 7.9586 9.2418 9.2520 9.4476 9.4649 9.5421 9.5471 13.5972 13.6168 14.0366 14.0383 14.1688 14.1722 16.2292 16.2398 k = 0.5000 0.2588-0.2648 ( 2806 PWs) bands (ev): -46.1562 -46.1562 -22.9100 -22.9082 -22.2678 -22.2662 -22.2518 -22.2490 -14.5516 -14.5516 -6.3895 -6.3838 -5.9472 -5.9396 -5.9204 -5.9188 -1.3839 -1.3167 0.3617 0.3862 0.6144 0.6756 6.1243 6.1274 6.7026 6.7298 7.0095 7.0353 7.1213 7.1499 7.6188 7.6717 7.9222 7.9329 9.2674 9.2764 9.4747 9.4929 9.5783 9.5815 13.6486 13.6675 14.0574 14.0589 14.1860 14.1894 16.2958 16.3067 k = 0.5000 0.2678-0.2738 ( 2800 PWs) bands (ev): -46.1562 -46.1562 -22.9107 -22.9088 -22.2681 -22.2666 -22.2530 -22.2502 -14.5479 -14.5479 -6.3592 -6.3535 -5.9447 -5.9371 -5.9195 -5.9175 -1.4056 -1.3381 0.3338 0.3576 0.5813 0.6436 6.1155 6.1190 6.7050 6.7345 6.9843 7.0132 7.0935 7.1271 7.6116 7.6659 7.8980 7.9097 9.2958 9.3036 9.5014 9.5199 9.6131 9.6149 13.6990 13.7171 14.0791 14.0804 14.2037 14.2070 16.3589 16.3701 k = 0.5000 0.2768-0.2829 ( 2802 PWs) bands (ev): -46.1561 -46.1561 -22.9114 -22.9096 -22.2685 -22.2669 -22.2543 -22.2515 -14.5443 -14.5443 -6.3289 -6.3233 -5.9424 -5.9349 -5.9181 -5.9152 -1.4276 -1.3599 0.3060 0.3291 0.5468 0.6099 6.1059 6.1095 6.7067 6.7372 6.9635 6.9969 7.0647 7.1049 7.6047 7.6602 7.8767 7.8893 9.3266 9.3335 9.5278 9.5463 9.6462 9.6474 13.7483 13.7656 14.1016 14.1028 14.2218 14.2251 16.4176 16.4294 k = 0.5000 0.2858-0.2919 ( 2800 PWs) bands (ev): -46.1561 -46.1561 -22.9120 -22.9102 -22.2688 -22.2673 -22.2556 -22.2528 -14.5407 -14.5407 -6.2987 -6.2931 -5.9403 -5.9327 -5.9159 -5.9121 -1.4499 -1.3822 0.2786 0.3010 0.5111 0.5748 6.0954 6.0991 6.7058 6.7355 6.9477 6.9888 7.0347 7.0845 7.5982 7.6547 7.8586 7.8717 9.3596 9.3656 9.5538 9.5721 9.6774 9.6788 13.7963 13.8127 14.1248 14.1258 14.2402 14.2434 16.4711 16.4838 k = 0.5000 0.2948-0.3010 ( 2796 PWs) bands (ev): -46.1560 -46.1560 -22.9127 -22.9109 -22.2692 -22.2677 -22.2568 -22.2540 -14.5372 -14.5372 -6.2687 -6.2631 -5.9381 -5.9306 -5.9131 -5.9087 -1.4723 -1.4049 0.2516 0.2733 0.4745 0.5384 6.0841 6.0878 6.7009 6.7279 6.9354 6.9901 7.0039 7.0684 7.5921 7.6494 7.8436 7.8571 9.3944 9.3995 9.5797 9.5975 9.7070 9.7090 13.8427 13.8581 14.1488 14.1496 14.2589 14.2619 16.5187 16.5325 k = 0.5000 0.3038-0.3100 ( 2802 PWs) bands (ev): -46.1560 -46.1560 -22.9134 -22.9116 -22.2695 -22.2681 -22.2580 -22.2553 -14.5338 -14.5337 -6.2389 -6.2334 -5.9358 -5.9283 -5.9099 -5.9051 -1.4948 -1.4278 0.2251 0.2461 0.4372 0.5011 6.0719 6.0755 6.6913 6.7145 6.9231 6.9711 7.0019 7.0604 7.5867 7.6446 7.8318 7.8454 9.4306 9.4349 9.6053 9.6226 9.7351 9.7376 13.8874 13.9019 14.1733 14.1738 14.2776 14.2806 16.5594 16.5747 k = 0.5000 0.3128-0.3191 ( 2804 PWs) bands (ev): -46.1559 -46.1559 -22.9140 -22.9123 -22.2699 -22.2685 -22.2592 -22.2565 -14.5304 -14.5304 -6.2094 -6.2040 -5.9332 -5.9258 -5.9063 -5.9013 -1.5172 -1.4509 0.1992 0.2195 0.3994 0.4631 6.0588 6.0622 6.6778 6.6972 6.9067 6.9383 7.0203 7.0639 7.5822 7.6406 7.8227 7.8363 9.4679 9.4715 9.6308 9.6474 9.7616 9.7647 13.9302 13.9437 14.1982 14.1986 14.2964 14.2993 16.5925 16.6098 k = 0.5000 0.3218-0.3281 ( 2804 PWs) bands (ev): -46.1559 -46.1559 -22.9147 -22.9130 -22.2702 -22.2689 -22.2603 -22.2577 -14.5271 -14.5271 -6.1804 -6.1752 -5.9303 -5.9230 -5.9026 -5.8975 -1.5395 -1.4741 0.1740 0.1936 0.3615 0.4246 6.0448 6.0480 6.6616 6.6776 6.8847 6.9049 7.0434 7.0792 7.5789 7.6378 7.8162 7.8295 9.5060 9.5089 9.6561 9.6721 9.7867 9.7902 13.9711 13.9836 14.2235 14.2236 14.3152 14.3179 16.6176 16.6371 k = 0.5000 0.3308-0.3371 ( 2802 PWs) bands (ev): -46.1558 -46.1558 -22.9153 -22.9136 -22.2705 -22.2692 -22.2613 -22.2588 -14.5239 -14.5239 -6.1520 -6.1470 -5.9271 -5.9200 -5.8987 -5.8937 -1.5616 -1.4973 0.1495 0.1684 0.3237 0.3859 6.0300 6.0330 6.6441 6.6572 6.8584 6.8711 7.0694 7.1035 7.5770 7.6366 7.8117 7.8249 9.5445 9.5468 9.6813 9.6965 9.8103 9.8142 14.0100 14.0214 14.2488 14.2489 14.3338 14.3364 16.6346 16.6566 k = 0.5000 0.3398-0.3462 ( 2798 PWs) bands (ev): -46.1558 -46.1558 -22.9158 -22.9143 -22.2708 -22.2696 -22.2623 -22.2599 -14.5208 -14.5208 -6.1243 -6.1195 -5.9236 -5.9167 -5.8948 -5.8899 -1.5832 -1.5203 0.1259 0.1440 0.2863 0.3473 6.0144 6.0171 6.6262 6.6371 6.8294 6.8374 7.0973 7.1334 7.5770 7.6371 7.8091 7.8220 9.5832 9.5848 9.7064 9.7208 9.8323 9.8367 14.0467 14.0571 14.2740 14.2743 14.3521 14.3547 16.6438 16.6683 k = 0.5000 0.3488-0.3552 ( 2796 PWs) bands (ev): -46.1557 -46.1557 -22.9164 -22.9149 -22.2711 -22.2700 -22.2633 -22.2609 -14.5179 -14.5179 -6.0974 -6.0928 -5.9198 -5.9131 -5.8909 -5.8861 -1.6044 -1.5432 0.1033 0.1205 0.2496 0.3091 5.9982 6.0006 6.6087 6.6178 6.7991 6.8039 7.1263 7.1658 7.5789 7.6397 7.8078 7.8207 9.6217 9.6227 9.7312 9.7449 9.8529 9.8577 14.0813 14.0905 14.2990 14.2996 14.3702 14.3726 16.6460 16.6731 k = 0.5000 0.3578-0.3643 ( 2796 PWs) bands (ev): -46.1557 -46.1557 -22.9169 -22.9155 -22.2714 -22.2704 -22.2642 -22.2620 -14.5151 -14.5151 -6.0713 -6.0671 -5.9158 -5.9094 -5.8869 -5.8825 -1.6250 -1.5657 0.0816 0.0979 0.2138 0.2715 5.9813 5.9835 6.5920 6.5997 6.7682 6.7710 7.1556 7.1988 7.5832 7.6445 7.8077 7.8205 9.6597 9.6601 9.7558 9.7687 9.8721 9.8773 14.1136 14.1219 14.3237 14.3246 14.3878 14.3901 16.6425 16.6719 k = 0.5000 0.3668-0.3733 ( 2796 PWs) bands (ev): -46.1557 -46.1557 -22.9174 -22.9160 -22.2717 -22.2708 -22.2650 -22.2629 -14.5124 -14.5124 -6.0463 -6.0425 -5.9117 -5.9055 -5.8830 -5.8789 -1.6449 -1.5878 0.0610 0.0764 0.1791 0.2348 5.9642 5.9660 6.5765 6.5831 6.7373 6.7391 7.1843 7.2309 7.5903 7.6514 7.8084 7.8214 9.6966 9.6970 9.7801 9.7923 9.8898 9.8954 14.1438 14.1510 14.3479 14.3489 14.4049 14.4071 16.6346 16.6659 k = 0.5000 0.3758-0.3824 ( 2800 PWs) bands (ev): -46.1556 -46.1556 -22.9179 -22.9166 -22.2720 -22.2712 -22.2658 -22.2638 -14.5098 -14.5098 -6.0223 -6.0190 -5.9075 -5.9015 -5.8792 -5.8754 -1.6640 -1.6093 0.0415 0.0560 0.1459 0.1992 5.9468 5.9484 6.5623 6.5680 6.7070 6.7085 7.2119 7.2608 7.6002 7.6606 7.8099 7.8230 9.7323 9.7332 9.8040 9.8155 9.9062 9.9122 14.1718 14.1780 14.3713 14.3725 14.4214 14.4234 16.6236 16.6566 k = 0.5000 0.3848-0.3914 ( 2794 PWs) bands (ev): -46.1556 -46.1556 -22.9183 -22.9171 -22.2723 -22.2715 -22.2665 -22.2646 -14.5074 -14.5074 -5.9996 -5.9969 -5.9032 -5.8975 -5.8754 -5.8719 -1.6822 -1.6302 0.0233 0.0367 0.1143 0.1650 5.9295 5.9308 6.5495 6.5545 6.6776 6.6792 7.2377 7.2878 7.6132 7.6718 7.8118 7.8252 9.7666 9.7681 9.8274 9.8383 9.9212 9.9277 14.1976 14.2030 14.3939 14.3952 14.4372 14.4391 16.6110 16.6451 k = 0.5000 0.3938-0.4005 ( 2796 PWs) bands (ev): -46.1556 -46.1556 -22.9188 -22.9176 -22.2726 -22.2719 -22.2671 -22.2654 -14.5052 -14.5052 -5.9782 -5.9762 -5.8990 -5.8934 -5.8717 -5.8686 -1.6992 -1.6503 0.0062 0.0187 0.0845 0.1324 5.9124 5.9135 6.5381 6.5424 6.6496 6.6515 7.2613 7.3112 7.6292 7.6848 7.8141 7.8278 9.7993 9.8014 9.8501 9.8605 9.9349 9.9420 14.2213 14.2259 14.4153 14.4167 14.4522 14.4541 16.5978 16.6327 k = 0.5000 0.4029-0.4095 ( 2796 PWs) bands (ev): -46.1555 -46.1555 -22.9191 -22.9181 -22.2728 -22.2723 -22.2677 -22.2662 -14.5031 -14.5031 -5.9583 -5.9572 -5.8949 -5.8892 -5.8680 -5.8654 -1.7152 -1.6694 -0.0095 0.0019 0.0568 0.1015 5.8958 5.8967 6.5280 6.5318 6.6234 6.6254 7.2826 7.3308 7.6478 7.6991 7.8166 7.8307 9.8301 9.8329 9.8720 9.8820 9.9474 9.9550 14.2429 14.2467 14.4354 14.4368 14.4664 14.4681 16.5852 16.6204 k = 0.5000 0.4119-0.4186 ( 2802 PWs) bands (ev): -46.1555 -46.1555 -22.9195 -22.9185 -22.2731 -22.2727 -22.2682 -22.2668 -14.5012 -14.5012 -5.9402 -5.9396 -5.8910 -5.8849 -5.8645 -5.8623 -1.7298 -1.6875 -0.0239 -0.0137 0.0312 0.0725 5.8799 5.8806 6.5191 6.5225 6.5990 6.6011 7.3015 7.3468 7.6683 7.7142 7.8192 7.8337 9.8588 9.8621 9.8930 9.9026 9.9587 9.9669 14.2624 14.2656 14.4541 14.4555 14.4797 14.4813 16.5739 16.6089 k = 0.5000 0.4209-0.4276 ( 2810 PWs) bands (ev): -46.1555 -46.1555 -22.9198 -22.9190 -22.2734 -22.2731 -22.2687 -22.2675 -14.4995 -14.4995 -5.9249 -5.9231 -5.8874 -5.8804 -5.8612 -5.8593 -1.7431 -1.7045 -0.0369 -0.0278 0.0081 0.0457 5.8650 5.8655 6.5115 6.5144 6.5767 6.5787 7.3180 7.3595 7.6899 7.7297 7.8218 7.8367 9.8850 9.8890 9.9128 9.9222 9.9688 9.9777 14.2800 14.2826 14.4712 14.4725 14.4920 14.4934 16.5645 16.5989 k = 0.5000 0.4299-0.4367 ( 2812 PWs) bands (ev): -46.1555 -46.1555 -22.9201 -22.9193 -22.2736 -22.2734 -22.2691 -22.2680 -14.4980 -14.4980 -5.9120 -5.9083 -5.8839 -5.8755 -5.8580 -5.8564 -1.7548 -1.7202 -0.0484 -0.0406 -0.0126 0.0212 5.8511 5.8515 6.5049 6.5074 6.5566 6.5585 7.3323 7.3694 7.7118 7.7448 7.8243 7.8397 9.9086 9.9131 9.9313 9.9404 9.9779 9.9875 14.2955 14.2976 14.4866 14.4878 14.5032 14.5045 16.5576 16.5907 k = 0.5000 0.4389-0.4457 ( 2820 PWs) bands (ev): -46.1554 -46.1554 -22.9204 -22.9197 -22.2739 -22.2737 -22.2694 -22.2685 -14.4966 -14.4966 -5.9018 -5.8960 -5.8801 -5.8701 -5.8550 -5.8536 -1.7650 -1.7346 -0.0585 -0.0519 -0.0307 -0.0009 5.8386 5.8389 6.4994 6.5016 6.5388 6.5406 7.3446 7.3769 7.7330 7.7591 7.8267 7.8424 9.9293 9.9342 9.9484 9.9569 9.9861 9.9964 14.3091 14.3108 14.5002 14.5012 14.5133 14.5144 16.5534 16.5845 k = 0.5000 0.4479-0.4548 ( 2826 PWs) bands (ev): -46.1554 -46.1554 -22.9206 -22.9200 -22.2741 -22.2741 -22.2696 -22.2689 -14.4954 -14.4954 -5.8941 -5.8871 -5.8753 -5.8644 -5.8521 -5.8508 -1.7736 -1.7475 -0.0671 -0.0618 -0.0461 -0.0204 5.8275 5.8277 6.4948 6.4966 6.5235 6.5250 7.3550 7.3823 7.7527 7.7721 7.8288 7.8448 9.9468 9.9520 9.9639 9.9714 9.9938 10.0044 14.3206 14.3220 14.5119 14.5127 14.5223 14.5232 16.5520 16.5800 k = 0.5000 0.4569-0.4638 ( 2824 PWs) bands (ev): -46.1554 -46.1554 -22.9207 -22.9203 -22.2743 -22.2743 -22.2698 -22.2692 -14.4945 -14.4944 -5.8885 -5.8824 -5.8688 -5.8591 -5.8493 -5.8480 -1.7804 -1.7588 -0.0741 -0.0702 -0.0586 -0.0373 5.8181 5.8182 6.4912 6.4926 6.5106 6.5119 7.3638 7.3861 7.7704 7.7835 7.8309 7.8466 9.9612 9.9665 9.9773 9.9832 10.0014 10.0115 14.3303 14.3313 14.5216 14.5222 14.5301 14.5307 16.5534 16.5768 k = 0.5000 0.4659-0.4729 ( 2824 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9205 -22.2745 -22.2745 -22.2699 -22.2695 -14.4937 -14.4937 -5.8846 -5.8800 -5.8624 -5.8551 -5.8463 -5.8453 -1.7854 -1.7685 -0.0795 -0.0770 -0.0684 -0.0515 5.8104 5.8105 6.4883 6.4894 6.5002 6.5013 7.3712 7.3884 7.7854 7.7929 7.8329 7.8476 9.9725 9.9778 9.9883 9.9918 10.0091 10.0175 14.3380 14.3388 14.5293 14.5296 14.5366 14.5369 16.5571 16.5739 k = 0.5000 0.4749-0.4819 ( 2816 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9206 -22.2746 -22.2745 -22.2700 -22.2697 -14.4931 -14.4931 -5.8818 -5.8787 -5.8575 -5.8526 -5.8432 -5.8427 -1.7886 -1.7764 -0.0834 -0.0822 -0.0753 -0.0628 5.8045 5.8046 6.4862 6.4870 6.4925 6.4932 7.3772 7.3895 7.7970 7.8003 7.8351 7.8477 9.9809 9.9855 9.9964 9.9979 10.0163 10.0224 14.3438 14.3444 14.5350 14.5351 14.5416 14.5418 16.5618 16.5707 k = 0.5000 0.4839-0.4910 ( 2812 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9207 -22.2746 -22.2746 -22.2700 -22.2698 -14.4927 -14.4927 -5.8799 -5.8781 -5.8542 -5.8514 -5.8408 -5.8407 -1.7900 -1.7826 -0.0860 -0.0857 -0.0791 -0.0713 5.8005 5.8006 6.4848 6.4851 6.4875 6.4879 7.3819 7.3893 7.8047 7.8055 7.8379 7.8466 9.9867 9.9899 10.0018 10.0021 10.0220 10.0256 14.3478 14.3481 14.5387 14.5387 14.5451 14.5452 16.5652 16.5676 k = 0.5000 0.4929-0.5000 ( 2806 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2747 -22.2747 -22.2699 -22.2699 -14.4925 -14.4925 -5.8787 -5.8781 -5.8522 -5.8513 -5.8395 -5.8395 -1.7895 -1.7869 -0.0874 -0.0874 -0.0797 -0.0770 5.7985 5.7985 6.4838 6.4838 6.4854 6.4854 7.3855 7.3880 7.8083 7.8084 7.8411 7.8444 9.9902 9.9914 10.0044 10.0044 10.0256 10.0268 14.3498 14.3499 14.5405 14.5405 14.5469 14.5469 16.5658 16.5659 k = 0.5047 0.4976 0.4905 ( 2806 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2747 -22.2747 -22.2699 -22.2699 -14.4925 -14.4925 -5.8787 -5.8781 -5.8522 -5.8513 -5.8395 -5.8395 -1.7895 -1.7869 -0.0874 -0.0874 -0.0797 -0.0770 5.7985 5.7985 6.4838 6.4838 6.4854 6.4854 7.3855 7.3880 7.8083 7.8084 7.8411 7.8444 9.9902 9.9914 10.0044 10.0044 10.0256 10.0268 14.3498 14.3499 14.5405 14.5405 14.5469 14.5469 16.5658 16.5751 k = 0.5000 0.4976 0.4953 ( 2800 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9208 -22.2746 -22.2746 -22.2699 -22.2699 -14.4924 -14.4924 -5.8783 -5.8783 -5.8516 -5.8516 -5.8393 -5.8393 -1.7884 -1.7884 -0.0876 -0.0876 -0.0787 -0.0787 5.7982 5.7982 6.4836 6.4836 6.4852 6.4852 7.3869 7.3869 7.8088 7.8088 7.8428 7.8428 9.9911 9.9911 10.0047 10.0047 10.0265 10.0265 14.3501 14.3501 14.5407 14.5407 14.5472 14.5472 16.5656 16.5656 k = 0.5000 0.4976 0.4953 ( 2800 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9208 -22.2746 -22.2746 -22.2699 -22.2699 -14.4924 -14.4924 -5.8783 -5.8783 -5.8516 -5.8516 -5.8393 -5.8393 -1.7884 -1.7884 -0.0876 -0.0876 -0.0787 -0.0787 5.7982 5.7982 6.4836 6.4836 6.4852 6.4852 7.3869 7.3869 7.8088 7.8088 7.8428 7.8428 9.9911 9.9911 10.0047 10.0047 10.0265 10.0265 14.3501 14.3501 14.5407 14.5407 14.5472 14.5472 16.5656 16.5657 k = 0.4926 0.4903 0.4880 ( 2815 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9209 -22.2747 -22.2747 -22.2700 -22.2700 -14.4925 -14.4925 -5.8791 -5.8791 -5.8521 -5.8521 -5.8395 -5.8395 -1.7875 -1.7875 -0.0868 -0.0868 -0.0772 -0.0772 5.7995 5.7995 6.4843 6.4843 6.4858 6.4859 7.3865 7.3865 7.8085 7.8086 7.8411 7.8411 9.9896 9.9896 10.0031 10.0032 10.0259 10.0259 14.3494 14.3494 14.5397 14.5399 14.5462 14.5462 16.5675 16.5681 k = 0.4853 0.4830 0.4807 ( 2815 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9208 -22.2746 -22.2746 -22.2699 -22.2699 -14.4928 -14.4928 -5.8814 -5.8814 -5.8534 -5.8534 -5.8401 -5.8401 -1.7848 -1.7848 -0.0846 -0.0846 -0.0727 -0.0727 5.8033 5.8033 6.4863 6.4863 6.4879 6.4881 7.3852 7.3852 7.8078 7.8080 7.8359 7.8359 9.9850 9.9850 9.9984 9.9986 10.0238 10.0238 14.3472 14.3472 14.5368 14.5371 14.5434 14.5434 16.5737 16.5749 k = 0.4779 0.4757 0.4734 ( 2815 PWs) bands (ev): -46.1554 -46.1554 -22.9207 -22.9207 -22.2745 -22.2745 -22.2698 -22.2698 -14.4933 -14.4933 -5.8855 -5.8855 -5.8553 -5.8553 -5.8410 -5.8410 -1.7802 -1.7802 -0.0809 -0.0809 -0.0652 -0.0652 5.8097 5.8097 6.4898 6.4898 6.4914 6.4916 7.3830 7.3830 7.8068 7.8071 7.8275 7.8275 9.9775 9.9775 9.9906 9.9909 10.0205 10.0205 14.3435 14.3435 14.5319 14.5325 14.5386 14.5386 16.5840 16.5858 k = 0.4706 0.4684 0.4661 ( 2821 PWs) bands (ev): -46.1554 -46.1554 -22.9206 -22.9206 -22.2743 -22.2743 -22.2696 -22.2696 -14.4940 -14.4940 -5.8915 -5.8915 -5.8578 -5.8578 -5.8423 -5.8423 -1.7739 -1.7739 -0.0758 -0.0757 -0.0547 -0.0547 5.8185 5.8185 6.4946 6.4946 6.4963 6.4966 7.3800 7.3800 7.8053 7.8057 7.8159 7.8159 9.9669 9.9669 9.9799 9.9802 10.0160 10.0160 14.3384 14.3384 14.5253 14.5260 14.5320 14.5320 16.5984 16.6007 k = 0.4632 0.4610 0.4589 ( 2821 PWs) bands (ev): -46.1554 -46.1554 -22.9204 -22.9204 -22.2741 -22.2741 -22.2694 -22.2694 -14.4949 -14.4949 -5.8995 -5.8995 -5.8605 -5.8605 -5.8439 -5.8439 -1.7659 -1.7659 -0.0692 -0.0691 -0.0414 -0.0414 5.8298 5.8298 6.5008 6.5008 6.5025 6.5029 7.3758 7.3758 7.8016 7.8016 7.8035 7.8040 9.9535 9.9535 9.9663 9.9667 10.0103 10.0103 14.3319 14.3319 14.5167 14.5176 14.5236 14.5236 16.6164 16.6193 k = 0.4559 0.4537 0.4516 ( 2821 PWs) bands (ev): -46.1554 -46.1554 -22.9202 -22.9202 -22.2739 -22.2739 -22.2692 -22.2692 -14.4960 -14.4960 -5.9095 -5.9095 -5.8634 -5.8634 -5.8458 -5.8458 -1.7563 -1.7563 -0.0612 -0.0611 -0.0251 -0.0251 5.8436 5.8436 6.5084 6.5084 6.5101 6.5107 7.3706 7.3706 7.7847 7.7847 7.8013 7.8019 9.9373 9.9373 9.9500 9.9505 10.0034 10.0034 14.3240 14.3240 14.5063 14.5073 14.5133 14.5133 16.6378 16.6412 k = 0.4485 0.4464 0.4443 ( 2821 PWs) bands (ev): -46.1555 -46.1555 -22.9199 -22.9199 -22.2736 -22.2736 -22.2689 -22.2689 -14.4973 -14.4973 -5.9215 -5.9215 -5.8665 -5.8665 -5.8481 -5.8481 -1.7451 -1.7451 -0.0518 -0.0518 -0.0062 -0.0062 5.8597 5.8597 6.5173 6.5173 6.5191 6.5197 7.3642 7.3642 7.7658 7.7658 7.7987 7.7994 9.9185 9.9185 9.9313 9.9318 9.9954 9.9954 14.3147 14.3147 14.4940 14.4953 14.5011 14.5011 16.6620 16.6661 k = 0.4412 0.4391 0.4370 ( 2824 PWs) bands (ev): -46.1555 -46.1555 -22.9196 -22.9196 -22.2732 -22.2732 -22.2686 -22.2686 -14.4988 -14.4988 -5.9353 -5.9353 -5.8698 -5.8698 -5.8508 -5.8508 -1.7324 -1.7324 -0.0411 -0.0410 0.0154 0.0154 5.8781 5.8781 6.5275 6.5275 6.5295 6.5302 7.3563 7.3563 7.7454 7.7454 7.7958 7.7966 9.8973 9.8973 9.9102 9.9109 9.9863 9.9863 14.3040 14.3040 14.4800 14.4814 14.4872 14.4872 16.6886 16.6933 k = 0.4338 0.4318 0.4297 ( 2830 PWs) bands (ev): -46.1555 -46.1555 -22.9193 -22.9193 -22.2728 -22.2728 -22.2682 -22.2682 -14.5005 -14.5005 -5.9508 -5.9508 -5.8733 -5.8733 -5.8537 -5.8537 -1.7183 -1.7183 -0.0291 -0.0290 0.0396 0.0396 5.8988 5.8988 6.5390 6.5390 6.5411 6.5419 7.3469 7.3469 7.7239 7.7239 7.7925 7.7935 9.8739 9.8739 9.8872 9.8878 9.9761 9.9761 14.2920 14.2920 14.4642 14.4657 14.4715 14.4715 16.7170 16.7221 k = 0.4265 0.4244 0.4224 ( 2836 PWs) bands (ev): -46.1555 -46.1555 -22.9189 -22.9189 -22.2724 -22.2724 -22.2679 -22.2679 -14.5024 -14.5024 -5.9679 -5.9679 -5.8770 -5.8770 -5.8569 -5.8569 -1.7030 -1.7030 -0.0158 -0.0158 0.0661 0.0661 5.9215 5.9215 6.5518 6.5518 6.5541 6.5550 7.3358 7.3358 7.7021 7.7021 7.7890 7.7901 9.8485 9.8485 9.8622 9.8630 9.9648 9.9648 14.2787 14.2787 14.4466 14.4483 14.4540 14.4540 16.7463 16.7519 k = 0.4191 0.4171 0.4152 ( 2818 PWs) bands (ev): -46.1556 -46.1556 -22.9184 -22.9184 -22.2719 -22.2719 -22.2672 -22.2672 -14.5044 -14.5044 -5.9863 -5.9863 -5.8809 -5.8809 -5.8604 -5.8604 -1.6866 -1.6866 -0.0014 -0.0013 0.0949 0.0949 5.9463 5.9463 6.5659 6.5659 6.5683 6.5693 7.3228 7.3228 7.6806 7.6806 7.7852 7.7865 9.8215 9.8215 9.8358 9.8365 9.9525 9.9525 14.2641 14.2641 14.4273 14.4292 14.4349 14.4349 16.7758 16.7820 k = 0.4118 0.4098 0.4079 ( 2800 PWs) bands (ev): -46.1556 -46.1556 -22.9179 -22.9179 -22.2713 -22.2713 -22.2667 -22.2667 -14.5067 -14.5067 -6.0061 -6.0061 -5.8850 -5.8850 -5.8642 -5.8642 -1.6691 -1.6691 0.0142 0.0142 0.1259 0.1259 5.9730 5.9730 6.5811 6.5811 6.5838 6.5849 7.3079 7.3079 7.6599 7.6599 7.7812 7.7827 9.7931 9.7931 9.8081 9.8088 9.9392 9.9392 14.2482 14.2482 14.4063 14.4084 14.4141 14.4141 16.8047 16.8112 k = 0.4044 0.4025 0.4006 ( 2800 PWs) bands (ev): -46.1556 -46.1556 -22.9174 -22.9174 -22.2708 -22.2707 -22.2661 -22.2661 -14.5091 -14.5091 -6.0270 -6.0270 -5.8894 -5.8894 -5.8682 -5.8682 -1.6507 -1.6507 0.0308 0.0309 0.1587 0.1587 6.0014 6.0014 6.5976 6.5976 6.6004 6.6017 7.2910 7.2910 7.6406 7.6406 7.7770 7.7786 9.7634 9.7634 9.7793 9.7801 9.9249 9.9249 14.2311 14.2311 14.3837 14.3859 14.3916 14.3916 16.8319 16.8388 k = 0.3971 0.3952 0.3933 ( 2788 PWs) bands (ev): -46.1556 -46.1556 -22.9169 -22.9169 -22.2701 -22.2701 -22.2655 -22.2655 -14.5117 -14.5117 -6.0489 -6.0489 -5.8939 -5.8939 -5.8724 -5.8724 -1.6316 -1.6316 0.0484 0.0485 0.1932 0.1932 6.0313 6.0313 6.6152 6.6152 6.6183 6.6197 7.2723 7.2723 7.6231 7.6231 7.7727 7.7745 9.7328 9.7328 9.7498 9.7506 9.9097 9.9097 14.2128 14.2128 14.3595 14.3619 14.3675 14.3675 16.8564 16.8637 k = 0.3897 0.3879 0.3860 ( 2794 PWs) bands (ev): -46.1557 -46.1557 -22.9163 -22.9163 -22.2695 -22.2695 -22.2649 -22.2649 -14.5145 -14.5145 -6.0716 -6.0716 -5.8986 -5.8986 -5.8769 -5.8769 -1.6118 -1.6118 0.0669 0.0670 0.2293 0.2293 6.0626 6.0626 6.6339 6.6339 6.6373 6.6388 7.2521 7.2521 7.6077 7.6077 7.7683 7.7703 9.7015 9.7015 9.7197 9.7205 9.8936 9.8936 14.1932 14.1932 14.3337 14.3363 14.3420 14.3420 16.8773 16.8847 k = 0.3824 0.3805 0.3787 ( 2794 PWs) bands (ev): -46.1557 -46.1557 -22.9158 -22.9158 -22.2688 -22.2688 -22.2643 -22.2643 -14.5175 -14.5175 -6.0951 -6.0951 -5.9035 -5.9035 -5.8816 -5.8815 -1.5915 -1.5915 0.0863 0.0864 0.2667 0.2667 6.0949 6.0949 6.6536 6.6536 6.6574 6.6590 7.2311 7.2311 7.5946 7.5946 7.7639 7.7661 9.6698 9.6698 9.6894 9.6902 9.8766 9.8766 14.1725 14.1725 14.3065 14.3092 14.3149 14.3149 16.8934 16.9009 k = 0.3750 0.3732 0.3715 ( 2791 PWs) bands (ev): -46.1558 -46.1558 -22.9151 -22.9151 -22.2681 -22.2681 -22.2636 -22.2636 -14.5206 -14.5206 -6.1192 -6.1192 -5.9085 -5.9085 -5.8864 -5.8864 -1.5707 -1.5707 0.1064 0.1065 0.3051 0.3051 6.1281 6.1281 6.6744 6.6744 6.6785 6.6803 7.2098 7.2098 7.5837 7.5837 7.7596 7.7619 9.6379 9.6379 9.6591 9.6599 9.8589 9.8589 14.1506 14.1506 14.2778 14.2806 14.2864 14.2864 16.9041 16.9116 k = 0.3676 0.3659 0.3642 ( 2797 PWs) bands (ev): -46.1558 -46.1558 -22.9145 -22.9145 -22.2673 -22.2673 -22.2629 -22.2629 -14.5239 -14.5239 -6.1438 -6.1438 -5.9137 -5.9137 -5.8913 -5.8913 -1.5497 -1.5497 0.1271 0.1272 0.3444 0.3444 6.1617 6.1617 6.6962 6.6962 6.7007 6.7026 7.1892 7.1892 7.5750 7.5750 7.7553 7.7579 9.6060 9.6060 9.6290 9.6298 9.8403 9.8403 14.1275 14.1275 14.2477 14.2507 14.2565 14.2565 16.9087 16.9159 k = 0.3603 0.3586 0.3569 ( 2800 PWs) bands (ev): -46.1559 -46.1559 -22.9139 -22.9139 -22.2666 -22.2666 -22.2622 -22.2622 -14.5274 -14.5274 -6.1687 -6.1687 -5.9189 -5.9189 -5.8964 -5.8964 -1.5285 -1.5285 0.1485 0.1486 0.3842 0.3842 6.1954 6.1954 6.7189 6.7189 6.7238 6.7259 7.1701 7.1701 7.5684 7.5684 7.7513 7.7541 9.5744 9.5744 9.5994 9.6001 9.8211 9.8211 14.1034 14.1034 14.2163 14.2194 14.2254 14.2254 16.9066 16.9134 k = 0.3529 0.3513 0.3496 ( 2797 PWs) bands (ev): -46.1559 -46.1559 -22.9131 -22.9131 -22.2658 -22.2658 -22.2614 -22.2614 -14.5311 -14.5311 -6.1939 -6.1939 -5.9243 -5.9243 -5.9016 -5.9016 -1.5073 -1.5073 0.1703 0.1704 0.4243 0.4243 6.2287 6.2287 6.7425 6.7425 6.7478 6.7501 7.1535 7.1535 7.5637 7.5637 7.7476 7.7507 9.5432 9.5432 9.5704 9.5711 9.8011 9.8011 14.0781 14.0781 14.1836 14.1869 14.1929 14.1929 16.8978 16.9042 k = 0.3456 0.3439 0.3423 ( 2797 PWs) bands (ev): -46.1560 -46.1560 -22.9124 -22.9124 -22.2649 -22.2649 -22.2606 -22.2606 -14.5349 -14.5349 -6.2191 -6.2191 -5.9296 -5.9296 -5.9069 -5.9069 -1.4861 -1.4861 0.1925 0.1926 0.4644 0.4644 6.2613 6.2613 6.7670 6.7670 6.7728 6.7753 7.1404 7.1404 7.5608 7.5608 7.7443 7.7476 9.5127 9.5127 9.5423 9.5430 9.7806 9.7806 14.0517 14.0517 14.1497 14.1531 14.1594 14.1594 16.8823 16.8881 k = 0.3382 0.3366 0.3350 ( 2791 PWs) bands (ev): -46.1560 -46.1560 -22.9116 -22.9116 -22.2641 -22.2640 -22.2597 -22.2597 -14.5388 -14.5388 -6.2444 -6.2444 -5.9351 -5.9351 -5.9123 -5.9123 -1.4651 -1.4651 0.2150 0.2151 0.5042 0.5042 6.2925 6.2925 6.7922 6.7922 6.7985 6.8012 7.1317 7.1317 7.5597 7.5597 7.7414 7.7450 9.4830 9.4830 9.5152 9.5158 9.7595 9.7595 14.0242 14.0242 14.1147 14.1182 14.1247 14.1247 16.8606 16.8685 k = 0.3309 0.3293 0.3278 ( 2797 PWs) bands (ev): -46.1561 -46.1561 -22.9109 -22.9109 -22.2632 -22.2632 -22.2589 -22.2589 -14.5429 -14.5429 -6.2696 -6.2696 -5.9405 -5.9405 -5.9177 -5.9177 -1.4443 -1.4443 0.2377 0.2378 0.5436 0.5436 6.3221 6.3221 6.8182 6.8182 6.8250 6.8279 7.1283 7.1283 7.5601 7.5601 7.7392 7.7431 9.4543 9.4543 9.4893 9.4898 9.7379 9.7379 13.9957 13.9957 14.0787 14.0823 14.0889 14.0889 16.8327 16.8372 k = 0.3235 0.3220 0.3205 ( 2797 PWs) bands (ev): -46.1561 -46.1561 -22.9101 -22.9101 -22.2623 -22.2623 -22.2580 -22.2580 -14.5471 -14.5471 -6.2945 -6.2945 -5.9459 -5.9459 -5.9232 -5.9231 -1.4240 -1.4240 0.2605 0.2606 0.5821 0.5821 6.3495 6.3495 6.8449 6.8449 6.8522 6.8554 7.1310 7.1310 7.5622 7.5622 7.7377 7.7418 9.4268 9.4268 9.4647 9.4652 9.7158 9.7158 13.9661 13.9661 14.0416 14.0454 14.0522 14.0522 16.7995 16.8034 k = 0.3162 0.3147 0.3132 ( 2797 PWs) bands (ev): -46.1562 -46.1562 -22.9093 -22.9093 -22.2614 -22.2613 -22.2571 -22.2571 -14.5515 -14.5515 -6.3191 -6.3191 -5.9513 -5.9513 -5.9286 -5.9286 -1.4040 -1.4040 0.2833 0.2834 0.6195 0.6195 6.3748 6.3748 6.8722 6.8722 6.8802 6.8835 7.1404 7.1404 7.5658 7.5658 7.7369 7.7414 9.4006 9.4006 9.4415 9.4419 9.6933 9.6933 13.9355 13.9355 14.0037 14.0075 14.0147 14.0147 16.7616 16.7647 k = 0.3088 0.3074 0.3059 ( 2797 PWs) bands (ev): -46.1562 -46.1562 -22.9085 -22.9085 -22.2604 -22.2604 -22.2562 -22.2562 -14.5561 -14.5561 -6.3434 -6.3434 -5.9567 -5.9567 -5.9341 -5.9340 -1.3847 -1.3847 0.3060 0.3061 0.6556 0.6556 6.3978 6.3978 6.9002 6.9002 6.9087 6.9123 7.1566 7.1566 7.5710 7.5710 7.7371 7.7419 9.3759 9.3759 9.4199 9.4202 9.6705 9.6705 13.9039 13.9039 13.9649 13.9688 13.9763 13.9763 16.7190 16.7208 k = 0.3015 0.3000 0.2986 ( 2797 PWs) bands (ev): -46.1563 -46.1563 -22.9076 -22.9076 -22.2594 -22.2594 -22.2552 -22.2552 -14.5607 -14.5607 -6.3672 -6.3672 -5.9620 -5.9620 -5.9395 -5.9395 -1.3660 -1.3660 0.3285 0.3286 0.6901 0.6901 6.4188 6.4188 6.9288 6.9288 6.9378 6.9417 7.1797 7.1797 7.5776 7.5776 7.7383 7.7434 9.3526 9.3526 9.3999 9.4002 9.6474 9.6474 13.8714 13.8714 13.9253 13.9294 13.9372 13.9372 16.6728 16.6733 k = 0.2941 0.2927 0.2913 ( 2797 PWs) bands (ev): -46.1564 -46.1564 -22.9067 -22.9067 -22.2584 -22.2584 -22.2542 -22.2542 -14.5655 -14.5655 -6.3905 -6.3905 -5.9672 -5.9672 -5.9449 -5.9448 -1.3480 -1.3480 0.3507 0.3508 0.7227 0.7227 6.4383 6.4383 6.9578 6.9578 6.9675 6.9716 7.2096 7.2096 7.5858 7.5858 7.7406 7.7461 9.3311 9.3311 9.3816 9.3819 9.6240 9.6240 13.8379 13.8379 13.8851 13.8893 13.8975 13.8975 16.6225 16.6227 k = 0.2868 0.2854 0.2841 ( 2803 PWs) bands (ev): -46.1564 -46.1564 -22.9059 -22.9059 -22.2574 -22.2574 -22.2533 -22.2533 -14.5704 -14.5704 -6.4131 -6.4131 -5.9724 -5.9724 -5.9502 -5.9502 -1.3308 -1.3308 0.3725 0.3727 0.7532 0.7532 6.4570 6.4570 6.9874 6.9874 6.9977 7.0021 7.2456 7.2456 7.5954 7.5954 7.7441 7.7499 9.3113 9.3113 9.3651 9.3653 9.6004 9.6004 13.8036 13.8036 13.8442 13.8485 13.8572 13.8572 16.5689 16.5689 k = 0.2794 0.2781 0.2768 ( 2800 PWs) bands (ev): -46.1565 -46.1565 -22.9050 -22.9050 -22.2564 -22.2564 -22.2523 -22.2523 -14.5754 -14.5754 -6.4351 -6.4351 -5.9774 -5.9774 -5.9554 -5.9554 -1.3144 -1.3144 0.3939 0.3940 0.7815 0.7815 6.4755 6.4755 7.0175 7.0175 7.0283 7.0330 7.2873 7.2873 7.6066 7.6066 7.7489 7.7551 9.2933 9.2933 9.3505 9.3506 9.5767 9.5767 13.7684 13.7684 13.8029 13.8072 13.8165 13.8165 16.5129 16.5129 k = 0.2721 0.2708 0.2695 ( 2788 PWs) bands (ev): -46.1565 -46.1565 -22.9041 -22.9041 -22.2553 -22.2553 -22.2512 -22.2512 -14.5805 -14.5805 -6.4563 -6.4563 -5.9823 -5.9823 -5.9606 -5.9606 -1.2990 -1.2990 0.4147 0.4148 0.8073 0.8073 6.4947 6.4947 7.0479 7.0479 7.0594 7.0644 7.3340 7.3340 7.6193 7.6193 7.7551 7.7617 9.2772 9.2772 9.3377 9.3377 9.5530 9.5530 13.7323 13.7323 13.7611 13.7655 13.7755 13.7755 16.4548 16.4548 k = 0.2647 0.2634 0.2622 ( 2788 PWs) bands (ev): -46.1566 -46.1566 -22.9032 -22.9032 -22.2543 -22.2543 -22.2502 -22.2502 -14.5856 -14.5856 -6.4768 -6.4768 -5.9870 -5.9870 -5.9657 -5.9656 -1.2845 -1.2845 0.4349 0.4350 0.8306 0.8306 6.5150 6.5150 7.0787 7.0787 7.0910 7.0963 7.3851 7.3851 7.6335 7.6335 7.7628 7.7697 9.2630 9.2630 9.3267 9.3267 9.5291 9.5291 13.6955 13.6955 13.7189 13.7234 13.7342 13.7342 16.3949 16.3949 k = 0.2574 0.2561 0.2549 ( 2788 PWs) bands (ev): -46.1567 -46.1567 -22.9022 -22.9022 -22.2533 -22.2533 -22.2492 -22.2492 -14.5909 -14.5909 -6.4964 -6.4964 -5.9916 -5.9916 -5.9706 -5.9706 -1.2710 -1.2710 0.4543 0.4545 0.8511 0.8511 6.5373 6.5373 7.1098 7.1098 7.1229 7.1285 7.4401 7.4401 7.6492 7.6492 7.7719 7.7791 9.2508 9.2508 9.3176 9.3177 9.5053 9.5053 13.6580 13.6580 13.6764 13.6811 13.6927 13.6927 16.3333 16.3334 k = 0.2500 0.2488 0.2476 ( 2788 PWs) bands (ev): -46.1567 -46.1567 -22.9013 -22.9013 -22.2522 -22.2522 -22.2482 -22.2482 -14.5963 -14.5963 -6.5152 -6.5152 -5.9961 -5.9961 -5.9755 -5.9754 -1.2587 -1.2587 0.4731 0.4732 0.8689 0.8689 6.5618 6.5618 7.1413 7.1413 7.1553 7.1612 7.4982 7.4982 7.6664 7.6664 7.7825 7.7901 9.2406 9.2406 9.3104 9.3105 9.4816 9.4816 13.6198 13.6198 13.6338 13.6385 13.6511 13.6511 16.2705 16.2705 k = 0.2426 0.2415 0.2404 ( 2794 PWs) bands (ev): -46.1568 -46.1568 -22.9004 -22.9004 -22.2512 -22.2512 -22.2472 -22.2472 -14.6017 -14.6017 -6.5331 -6.5331 -6.0004 -6.0004 -5.9802 -5.9801 -1.2474 -1.2474 0.4909 0.4911 0.8839 0.8839 6.5889 6.5889 7.1730 7.1730 7.1880 7.1942 7.5591 7.5591 7.6852 7.6852 7.7946 7.8026 9.2324 9.2324 9.3051 9.3052 9.4579 9.4579 13.5809 13.5809 13.5910 13.5958 13.6096 13.6096 16.2065 16.2065 k = 0.2353 0.2342 0.2331 ( 2800 PWs) bands (ev): -46.1569 -46.1569 -22.8996 -22.8996 -22.2502 -22.2502 -22.2462 -22.2462 -14.6072 -14.6072 -6.5501 -6.5501 -6.0045 -6.0045 -5.9847 -5.9847 -1.2372 -1.2372 0.5079 0.5081 0.8960 0.8960 6.6189 6.6189 7.2049 7.2049 7.2211 7.2276 7.6222 7.6222 7.7056 7.7056 7.8083 7.8166 9.2262 9.2262 9.3016 9.3018 9.4345 9.4345 13.5416 13.5416 13.5481 13.5530 13.5683 13.5683 16.1416 16.1416 k = 0.2279 0.2269 0.2258 ( 2800 PWs) bands (ev): -46.1569 -46.1569 -22.8987 -22.8987 -22.2491 -22.2491 -22.2451 -22.2451 -14.6127 -14.6127 -6.5662 -6.5662 -6.0084 -6.0084 -5.9892 -5.9891 -1.2281 -1.2281 0.5240 0.5242 0.9054 0.9054 6.6519 6.6519 7.2369 7.2369 7.2546 7.2613 7.6864 7.6864 7.7284 7.7284 7.8235 7.8321 9.2221 9.2221 9.3000 9.3002 9.4112 9.4112 13.5017 13.5017 13.5053 13.5102 13.5272 13.5272 16.0761 16.0761 k = 0.2206 0.2195 0.2185 ( 2800 PWs) bands (ev): -46.1570 -46.1570 -22.8977 -22.8977 -22.2481 -22.2481 -22.2441 -22.2441 -14.6182 -14.6182 -6.5813 -6.5813 -6.0122 -6.0122 -5.9934 -5.9934 -1.2202 -1.2202 0.5392 0.5393 0.9120 0.9120 6.6879 6.6879 7.2691 7.2691 7.2884 7.2953 7.7415 7.7415 7.7635 7.7635 7.8402 7.8491 9.2199 9.2199 9.3001 9.3004 9.3882 9.3882 13.4615 13.4615 13.4626 13.4676 13.4863 13.4863 16.0100 16.0100 k = 0.2132 0.2122 0.2112 ( 2800 PWs) bands (ev): -46.1570 -46.1570 -22.8968 -22.8968 -22.2471 -22.2471 -22.2431 -22.2431 -14.6238 -14.6238 -6.5954 -6.5954 -6.0157 -6.0157 -5.9975 -5.9975 -1.2134 -1.2134 0.5533 0.5535 0.9160 0.9160 6.7269 6.7269 7.3012 7.3012 7.3225 7.3297 7.7708 7.7708 7.8272 7.8272 7.8585 7.8676 9.2197 9.2197 9.3020 9.3023 9.3656 9.3656 13.4200 13.4211 13.4211 13.4250 13.4459 13.4459 15.9435 15.9435 k = 0.2059 0.2049 0.2039 ( 2794 PWs) bands (ev): -46.1571 -46.1571 -22.8959 -22.8959 -22.2460 -22.2460 -22.2420 -22.2420 -14.6294 -14.6294 -6.6087 -6.6087 -6.0191 -6.0191 -6.0014 -6.0014 -1.2078 -1.2078 0.5665 0.5666 0.9174 0.9174 6.7687 6.7687 7.3333 7.3333 7.3569 7.3643 7.7973 7.7973 7.8782 7.8876 7.8965 7.8965 9.2214 9.2214 9.3056 9.3060 9.3433 9.3433 13.3777 13.3805 13.3805 13.3828 13.4058 13.4058 15.8769 15.8769 k = 0.1985 0.1976 0.1967 ( 2788 PWs) bands (ev): -46.1572 -46.1572 -22.8950 -22.8950 -22.2450 -22.2450 -22.2410 -22.2410 -14.6350 -14.6350 -6.6210 -6.6210 -6.0223 -6.0223 -6.0052 -6.0052 -1.2032 -1.2032 0.5786 0.5788 0.9165 0.9165 6.8131 6.8131 7.3652 7.3652 7.3914 7.3990 7.8247 7.8247 7.8993 7.9089 7.9673 7.9673 9.2250 9.2250 9.3108 9.3112 9.3213 9.3213 13.3357 13.3400 13.3400 13.3408 13.3662 13.3662 15.8103 15.8110 k = 0.1912 0.1903 0.1894 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8942 -22.8942 -22.2441 -22.2441 -22.2401 -22.2401 -14.6406 -14.6406 -6.6323 -6.6323 -6.0252 -6.0252 -6.0088 -6.0088 -1.1998 -1.1998 0.5897 0.5899 0.9133 0.9133 6.8599 6.8599 7.3969 7.3969 7.4260 7.4338 7.8534 7.8534 7.9219 7.9317 8.0390 8.0390 9.2303 9.2303 9.2999 9.2999 9.3176 9.3179 13.2940 13.2992 13.2997 13.2997 13.3272 13.3272 15.7439 15.7439 k = 0.1838 0.1829 0.1821 ( 2791 PWs) bands (ev): -46.1573 -46.1573 -22.8933 -22.8933 -22.2431 -22.2431 -22.2390 -22.2390 -14.6461 -14.6461 -6.6428 -6.6428 -6.0280 -6.0280 -6.0122 -6.0122 -1.1973 -1.1973 0.5999 0.6000 0.9082 0.9082 6.9088 6.9088 7.4280 7.4280 7.4607 7.4685 7.8834 7.8834 7.9460 7.9558 8.1114 8.1114 9.2373 9.2373 9.2790 9.2790 9.3258 9.3261 13.2528 13.2580 13.2595 13.2595 13.2888 13.2888 15.6779 15.6789 k = 0.1765 0.1756 0.1748 ( 2779 PWs) bands (ev): -46.1573 -46.1573 -22.8924 -22.8924 -22.2421 -22.2421 -22.2381 -22.2381 -14.6516 -14.6516 -6.6523 -6.6523 -6.0306 -6.0306 -6.0155 -6.0155 -1.1959 -1.1959 0.6090 0.6092 0.9011 0.9011 6.9595 6.9595 7.4587 7.4587 7.4951 7.5030 7.9149 7.9149 7.9715 7.9813 8.1842 8.1842 9.2451 9.2452 9.2592 9.2592 9.3354 9.3357 13.2121 13.2173 13.2198 13.2198 13.2510 13.2510 15.6123 15.6123 k = 0.1691 0.1683 0.1675 ( 2791 PWs) bands (ev): -46.1574 -46.1574 -22.8916 -22.8916 -22.2412 -22.2412 -22.2372 -22.2372 -14.6570 -14.6570 -6.6610 -6.6610 -6.0330 -6.0330 -6.0186 -6.0185 -1.1954 -1.1954 0.6172 0.6174 0.8924 0.8924 7.0115 7.0115 7.4886 7.4886 7.5292 7.5371 7.9478 7.9478 7.9984 8.0083 8.2573 8.2573 9.2374 9.2374 9.2572 9.2572 9.3462 9.3465 13.1720 13.1772 13.1805 13.1805 13.2141 13.2141 15.5475 15.5475 k = 0.1618 0.1610 0.1602 ( 2785 PWs) bands (ev): -46.1574 -46.1574 -22.8908 -22.8908 -22.2403 -22.2403 -22.2362 -22.2362 -14.6624 -14.6624 -6.6688 -6.6688 -6.0353 -6.0353 -6.0215 -6.0214 -1.1958 -1.1958 0.6245 0.6246 0.8823 0.8823 7.0646 7.0646 7.5177 7.5177 7.5628 7.5706 7.9821 7.9821 8.0269 8.0366 8.3303 8.3303 9.2184 9.2185 9.2682 9.2682 9.3581 9.3583 13.1325 13.1377 13.1418 13.1418 13.1781 13.1781 15.4835 15.4835 k = 0.1544 0.1537 0.1530 ( 2800 PWs) bands (ev): -46.1575 -46.1575 -22.8901 -22.8901 -22.2395 -22.2395 -22.2354 -22.2354 -14.6676 -14.6676 -6.6759 -6.6759 -6.0373 -6.0373 -6.0242 -6.0242 -1.1971 -1.1971 0.6308 0.6310 0.8710 0.8710 7.1182 7.1182 7.5458 7.5458 7.5957 7.6033 8.0179 8.0179 8.0568 8.0664 8.4031 8.4031 9.1998 9.1998 9.2808 9.2808 9.3709 9.3712 13.0937 13.0989 13.1037 13.1037 13.1432 13.1432 15.4205 15.4214 k = 0.1471 0.1464 0.1457 ( 2800 PWs) bands (ev): -46.1576 -46.1576 -22.8893 -22.8893 -22.2386 -22.2386 -22.2345 -22.2345 -14.6728 -14.6728 -6.6821 -6.6821 -6.0392 -6.0392 -6.0268 -6.0267 -1.1991 -1.1991 0.6364 0.6365 0.8587 0.8587 7.1720 7.1720 7.5729 7.5729 7.6276 7.6351 8.0550 8.0550 8.0882 8.0976 8.4755 8.4755 9.1817 9.1817 9.2945 9.2945 9.3847 9.3849 13.0557 13.0609 13.0663 13.0663 13.1094 13.1094 15.3587 15.3587 k = 0.1397 0.1390 0.1384 ( 2803 PWs) bands (ev): -46.1576 -46.1576 -22.8886 -22.8886 -22.2378 -22.2378 -22.2337 -22.2337 -14.6778 -14.6778 -6.6877 -6.6877 -6.0410 -6.0410 -6.0292 -6.0292 -1.2017 -1.2017 0.6411 0.6412 0.8455 0.8455 7.2255 7.2255 7.5990 7.5990 7.6583 7.6655 8.0934 8.0934 8.1211 8.1301 8.5473 8.5473 9.1643 9.1643 9.3091 9.3091 9.3991 9.3993 13.0185 13.0236 13.0296 13.0296 13.0769 13.0769 15.2985 15.2987 k = 0.1324 0.1317 0.1311 ( 2797 PWs) bands (ev): -46.1577 -46.1577 -22.8879 -22.8879 -22.2370 -22.2370 -22.2328 -22.2328 -14.6827 -14.6827 -6.6925 -6.6925 -6.0425 -6.0425 -6.0314 -6.0314 -1.2050 -1.2050 0.6451 0.6452 0.8318 0.8318 7.2782 7.2782 7.6240 7.6240 7.6877 7.6946 8.1329 8.1329 8.1554 8.1640 8.6181 8.6181 9.1476 9.1476 9.3245 9.3245 9.4141 9.4142 12.9823 12.9873 12.9938 12.9938 13.0458 13.0458 15.2394 15.2394 k = 0.1250 0.1244 0.1238 ( 2797 PWs) bands (ev): -46.1577 -46.1577 -22.8872 -22.8872 -22.2363 -22.2363 -22.2320 -22.2320 -14.6874 -14.6874 -6.6967 -6.6967 -6.0439 -6.0439 -6.0335 -6.0335 -1.2088 -1.2088 0.6484 0.6485 0.8177 0.8177 7.3297 7.3297 7.6480 7.6480 7.7156 7.7222 8.1733 8.1733 8.1909 8.1991 8.6877 8.6877 9.1316 9.1316 9.3404 9.3404 9.4294 9.4295 12.9470 12.9519 12.9589 12.9589 13.0162 13.0162 15.1822 15.1831 k = 0.1176 0.1171 0.1165 ( 2803 PWs) bands (ev): -46.1577 -46.1577 -22.8866 -22.8866 -22.2356 -22.2356 -22.2313 -22.2313 -14.6920 -14.6920 -6.7004 -6.7004 -6.0452 -6.0452 -6.0354 -6.0354 -1.2130 -1.2130 0.6511 0.6512 0.8033 0.8033 7.3795 7.3795 7.6710 7.6711 7.7419 7.7480 8.2143 8.2143 8.2275 8.2352 8.7558 8.7558 9.1164 9.1164 9.3567 9.3567 9.4449 9.4450 12.9127 12.9176 12.9250 12.9250 12.9882 12.9882 15.1269 15.1279 k = 0.1103 0.1098 0.1093 ( 2815 PWs) bands (ev): -46.1578 -46.1578 -22.8860 -22.8860 -22.2349 -22.2349 -22.2306 -22.2306 -14.6964 -14.6964 -6.7034 -6.7034 -6.0464 -6.0464 -6.0372 -6.0372 -1.2176 -1.2176 0.6532 0.6533 0.7889 0.7889 7.4271 7.4271 7.6933 7.6933 7.7664 7.7721 8.2558 8.2558 8.2650 8.2722 8.8222 8.8222 9.1020 9.1020 9.3732 9.3732 9.4604 9.4605 12.8797 12.8844 12.8921 12.8921 12.9619 12.9619 15.0739 15.0742 k = 0.1029 0.1025 0.1020 ( 2824 PWs) bands (ev): -46.1578 -46.1578 -22.8855 -22.8855 -22.2343 -22.2343 -22.2300 -22.2300 -14.7006 -14.7006 -6.7060 -6.7060 -6.0474 -6.0474 -6.0388 -6.0388 -1.2224 -1.2224 0.6548 0.6549 0.7747 0.7747 7.4720 7.4720 7.7149 7.7149 7.7892 7.7944 8.2973 8.2973 8.3030 8.3096 8.8864 8.8864 9.0884 9.0885 9.3897 9.3897 9.4758 9.4758 12.8478 12.8524 12.8605 12.8605 12.9373 12.9373 15.0227 15.0233 k = 0.0956 0.0951 0.0947 ( 2824 PWs) bands (ev): -46.1579 -46.1579 -22.8849 -22.8849 -22.2337 -22.2337 -22.2294 -22.2294 -14.7045 -14.7045 -6.7082 -6.7082 -6.0483 -6.0483 -6.0403 -6.0403 -1.2273 -1.2273 0.6560 0.6561 0.7608 0.7608 7.5139 7.5139 7.7361 7.7361 7.8101 7.8148 8.3386 8.3386 8.3413 8.3473 8.9481 8.9481 9.0757 9.0757 9.4060 9.4060 9.4908 9.4909 12.8174 12.8218 12.8301 12.8301 12.9146 12.9146 14.9741 14.9741 k = 0.0882 0.0878 0.0874 ( 2818 PWs) bands (ev): -46.1579 -46.1579 -22.8844 -22.8844 -22.2330 -22.2330 -22.2288 -22.2288 -14.7083 -14.7083 -6.7099 -6.7099 -6.0491 -6.0491 -6.0417 -6.0417 -1.2323 -1.2323 0.6568 0.6569 0.7473 0.7473 7.5521 7.5521 7.7570 7.7571 7.8293 7.8336 8.3793 8.3793 8.3793 8.3848 9.0071 9.0071 9.0638 9.0638 9.4220 9.4220 9.5053 9.5055 12.7883 12.7925 12.8011 12.8011 12.8937 12.8937 14.9282 14.9285 k = 0.0809 0.0805 0.0801 ( 2818 PWs) bands (ev): -46.1580 -46.1580 -22.8839 -22.8839 -22.2325 -22.2325 -22.2282 -22.2282 -14.7118 -14.7118 -6.7113 -6.7113 -6.0498 -6.0498 -6.0429 -6.0429 -1.2373 -1.2373 0.6573 0.6574 0.7344 0.7344 7.5863 7.5863 7.7780 7.7780 7.8467 7.8505 8.4168 8.4189 8.4189 8.4218 9.0527 9.0527 9.0630 9.0630 9.4375 9.4375 9.5192 9.5194 12.7609 12.7649 12.7737 12.7737 12.8747 12.8747 14.8850 14.8857 k = 0.0735 0.0732 0.0728 ( 2812 PWs) bands (ev): -46.1580 -46.1580 -22.8835 -22.8835 -22.2320 -22.2320 -22.2277 -22.2277 -14.7150 -14.7150 -6.7124 -6.7124 -6.0504 -6.0504 -6.0440 -6.0440 -1.2422 -1.2422 0.6575 0.6576 0.7222 0.7222 7.6164 7.6164 7.7988 7.7988 7.8624 7.8657 8.4532 8.4571 8.4571 8.4576 9.0427 9.0427 9.1150 9.1150 9.4524 9.4525 9.5323 9.5325 12.7352 12.7389 12.7479 12.7479 12.8577 12.8577 14.8448 14.8449 k = 0.0662 0.0659 0.0656 ( 2825 PWs) bands (ev): -46.1580 -46.1580 -22.8831 -22.8831 -22.2316 -22.2316 -22.2273 -22.2273 -14.7179 -14.7179 -6.7132 -6.7132 -6.0509 -6.0509 -6.0450 -6.0450 -1.2469 -1.2469 0.6575 0.6576 0.7108 0.7108 7.6422 7.6422 7.8196 7.8196 7.8764 7.8793 8.4881 8.4920 8.4935 8.4935 9.0335 9.0335 9.1631 9.1631 9.4666 9.4666 9.5444 9.5446 12.7113 12.7148 12.7240 12.7240 12.8424 12.8424 14.8079 14.8081 k = 0.0588 0.0585 0.0583 ( 2825 PWs) bands (ev): -46.1580 -46.1580 -22.8827 -22.8827 -22.2312 -22.2312 -22.2268 -22.2268 -14.7206 -14.7206 -6.7138 -6.7138 -6.0513 -6.0513 -6.0458 -6.0458 -1.2514 -1.2514 0.6574 0.6574 0.7004 0.7004 7.6638 7.6638 7.8399 7.8399 7.8888 7.8913 8.5210 8.5244 8.5275 8.5275 9.0253 9.0253 9.2070 9.2070 9.4799 9.4799 9.5555 9.5557 12.6895 12.6926 12.7019 12.7019 12.8291 12.8291 14.7741 14.7746 k = 0.0515 0.0512 0.0510 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8824 -22.8824 -22.2307 -22.2307 -22.2264 -22.2264 -14.7230 -14.7230 -6.7143 -6.7143 -6.0517 -6.0517 -6.0466 -6.0466 -1.2555 -1.2555 0.6571 0.6572 0.6910 0.6910 7.6818 7.6818 7.8593 7.8593 7.8996 7.9017 8.5515 8.5544 8.5589 8.5589 9.0180 9.0180 9.2462 9.2462 9.4922 9.4922 9.5654 9.5657 12.6697 12.6726 12.6820 12.6820 12.8175 12.8175 14.7439 14.7447 k = 0.0441 0.0439 0.0437 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8821 -22.8821 -22.2304 -22.2304 -22.2261 -22.2261 -14.7251 -14.7251 -6.7146 -6.7146 -6.0520 -6.0520 -6.0472 -6.0472 -1.2592 -1.2592 0.6568 0.6569 0.6827 0.6827 7.6963 7.6964 7.8773 7.8773 7.9089 7.9107 8.5790 8.5814 8.5871 8.5871 9.0116 9.0116 9.2805 9.2805 9.5034 9.5034 9.5742 9.5744 12.6523 12.6548 12.6644 12.6644 12.8077 12.8077 14.7175 14.7187 k = 0.0368 0.0366 0.0364 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8818 -22.8818 -22.2302 -22.2302 -22.2258 -22.2258 -14.7269 -14.7269 -6.7148 -6.7148 -6.0522 -6.0522 -6.0478 -6.0478 -1.2624 -1.2624 0.6565 0.6566 0.6755 0.6755 7.7080 7.7080 7.8933 7.8933 7.9166 7.9181 8.6032 8.6052 8.6117 8.6117 9.0062 9.0062 9.3095 9.3095 9.5135 9.5135 9.5816 9.5818 12.6373 12.6394 12.6492 12.6492 12.7995 12.7995 14.6948 14.6961 k = 0.0294 0.0293 0.0291 ( 2804 PWs) bands (ev): -46.1581 -46.1581 -22.8816 -22.8816 -22.2299 -22.2299 -22.2255 -22.2255 -14.7284 -14.7284 -6.7149 -6.7149 -6.0524 -6.0524 -6.0482 -6.0482 -1.2651 -1.2651 0.6562 0.6563 0.6696 0.6696 7.7171 7.7171 7.9070 7.9070 7.9230 7.9242 8.6236 8.6251 8.6324 8.6324 9.0018 9.0018 9.3333 9.3333 9.5221 9.5221 9.5878 9.5880 12.6248 12.6266 12.6365 12.6365 12.7929 12.7929 14.6759 14.6764 k = 0.0221 0.0220 0.0219 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8815 -22.8815 -22.2298 -22.2298 -22.2254 -22.2254 -14.7295 -14.7295 -6.7150 -6.7150 -6.0526 -6.0526 -6.0485 -6.0485 -1.2672 -1.2672 0.6560 0.6560 0.6649 0.6649 7.7238 7.7238 7.9180 7.9180 7.9279 7.9288 8.6399 8.6410 8.6489 8.6489 8.9983 8.9983 9.3517 9.3517 9.5291 9.5291 9.5926 9.5927 12.6151 12.6164 12.6265 12.6265 12.7879 12.7879 14.6611 14.6621 k = 0.0147 0.0146 0.0146 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8814 -22.8814 -22.2296 -22.2296 -22.2252 -22.2252 -14.7303 -14.7303 -6.7150 -6.7150 -6.0527 -6.0527 -6.0488 -6.0488 -1.2688 -1.2688 0.6558 0.6558 0.6616 0.6616 7.7285 7.7285 7.9260 7.9260 7.9315 7.9320 8.6518 8.6526 8.6609 8.6609 8.9959 8.9959 9.3648 9.3648 9.5344 9.5344 9.5960 9.5961 12.6081 12.6090 12.6193 12.6193 12.7844 12.7844 14.6505 14.6506 k = 0.0074 0.0073 0.0073 ( 2801 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8813 -22.2296 -22.2296 -22.2251 -22.2251 -14.7308 -14.7308 -6.7150 -6.7150 -6.0527 -6.0527 -6.0489 -6.0489 -1.2698 -1.2698 0.6556 0.6556 0.6595 0.6595 7.7313 7.7313 7.9308 7.9308 7.9337 7.9339 8.6591 8.6595 8.6682 8.6682 8.9944 8.9944 9.3726 9.3726 9.5377 9.5377 9.5981 9.5981 12.6040 12.6044 12.6149 12.6149 12.7823 12.7823 14.6441 14.6444 k = 0.0000 0.0000 0.0000 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8813 -22.2296 -22.2296 -22.2252 -22.2252 -14.7310 -14.7310 -6.7151 -6.7151 -6.0528 -6.0528 -6.0489 -6.0489 -1.2701 -1.2701 0.6556 0.6556 0.6589 0.6589 7.7322 7.7322 7.9325 7.9325 7.9345 7.9345 8.6617 8.6617 8.6706 8.6706 8.9939 8.9939 9.3752 9.3752 9.5388 9.5388 9.5988 9.5988 12.6027 12.6027 12.6134 12.6134 12.7816 12.7816 14.6421 14.6425 k = 0.0000 0.0000 0.0000 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8813 -22.2296 -22.2296 -22.2252 -22.2252 -14.7310 -14.7310 -6.7151 -6.7151 -6.0528 -6.0528 -6.0489 -6.0489 -1.2701 -1.2701 0.6556 0.6556 0.6589 0.6589 7.7322 7.7322 7.9325 7.9325 7.9345 7.9345 8.6617 8.6617 8.6706 8.6706 8.9939 8.9939 9.3752 9.3752 9.5388 9.5388 9.5988 9.5988 12.6027 12.6027 12.6134 12.6134 12.7816 12.7816 14.6421 14.6441 k = 0.0089-0.0000-0.0089 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8813 -22.8812 -22.2296 -22.2296 -22.2252 -22.2251 -14.7308 -14.7308 -6.7153 -6.7149 -6.0530 -6.0525 -6.0489 -6.0489 -1.2698 -1.2696 0.6560 0.6561 0.6587 0.6596 7.7284 7.7338 7.9274 7.9316 7.9343 7.9353 8.6601 8.6601 8.6680 8.6702 8.9915 8.9929 9.3576 9.3866 9.5248 9.5514 9.5998 9.6003 12.6030 12.6036 12.6132 12.6159 12.7811 12.7834 14.6444 14.6456 k = 0.0178-0.0001-0.0179 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8814 -22.8813 -22.2296 -22.2296 -22.2253 -22.2251 -14.7303 -14.7303 -6.7155 -6.7147 -6.0532 -6.0522 -6.0488 -6.0488 -1.2689 -1.2686 0.6570 0.6577 0.6590 0.6612 7.7224 7.7332 7.9184 7.9276 7.9322 7.9345 8.6549 8.6553 8.6629 8.6671 8.9858 8.9886 9.3354 9.3894 9.5129 9.5596 9.6021 9.6056 12.6023 12.6060 12.6172 12.6204 12.7820 12.7863 14.6469 14.6477 k = 0.0267-0.0001-0.0268 ( 2805 PWs) bands (ev): -46.1581 -46.1581 -22.8816 -22.8813 -22.2298 -22.2298 -22.2255 -22.2252 -14.7295 -14.7295 -6.7158 -6.7146 -6.0533 -6.0518 -6.0487 -6.0486 -1.2674 -1.2668 0.6578 0.6589 0.6612 0.6644 7.7141 7.7303 7.9059 7.9213 7.9276 7.9317 8.6454 8.6468 8.6562 8.6615 8.9772 8.9814 9.3098 9.3817 9.5057 9.5626 9.6050 9.6147 12.6003 12.6085 12.6254 12.6287 12.7844 12.7905 14.6521 14.6556 k = 0.0355-0.0002-0.0357 ( 2807 PWs) bands (ev): -46.1581 -46.1581 -22.8818 -22.8814 -22.2300 -22.2300 -22.2257 -22.2253 -14.7284 -14.7283 -6.7161 -6.7145 -6.0534 -6.0513 -6.0485 -6.0482 -1.2652 -1.2645 0.6586 0.6596 0.6654 0.6690 7.7032 7.7250 7.8900 7.9122 7.9209 7.9272 8.6315 8.6341 8.6477 8.6537 8.9663 8.9718 9.2814 9.3638 9.5029 9.5618 9.6082 9.6250 12.5980 12.6105 12.6371 12.6415 12.7882 12.7960 14.6591 14.6608 k = 0.0444-0.0002-0.0446 ( 2813 PWs) bands (ev): -46.1581 -46.1581 -22.8820 -22.8816 -22.2303 -22.2302 -22.2259 -22.2255 -14.7269 -14.7269 -6.7164 -6.7144 -6.0535 -6.0508 -6.0483 -6.0478 -1.2624 -1.2616 0.6594 0.6605 0.6710 0.6750 7.6896 7.7171 7.8708 7.9000 7.9126 7.9212 8.6139 8.6175 8.6370 8.6435 8.9538 8.9605 9.2507 9.3383 9.5024 9.5587 9.6112 9.6347 12.5962 12.6121 12.6523 12.6583 12.7936 12.8026 14.6681 14.6702 k = 0.0533-0.0003-0.0536 ( 2819 PWs) bands (ev): -46.1581 -46.1581 -22.8823 -22.8818 -22.2306 -22.2305 -22.2262 -22.2257 -14.7252 -14.7251 -6.7167 -6.7144 -6.0535 -6.0501 -6.0480 -6.0471 -1.2590 -1.2581 0.6602 0.6615 0.6777 0.6821 7.6730 7.7061 7.8488 7.8844 7.9033 7.9138 8.5926 8.5971 8.6238 8.6307 8.9405 8.9483 9.2180 9.3075 9.5020 9.5541 9.6136 9.6427 12.5951 12.6138 12.6708 12.6784 12.8006 12.8107 14.6789 14.6813 k = 0.0622-0.0003-0.0625 ( 2815 PWs) bands (ev): -46.1581 -46.1581 -22.8826 -22.8820 -22.2310 -22.2308 -22.2265 -22.2259 -14.7231 -14.7230 -6.7170 -6.7144 -6.0535 -6.0493 -6.0477 -6.0463 -1.2551 -1.2541 0.6612 0.6627 0.6855 0.6903 7.6532 7.6916 7.8244 7.8657 7.8932 7.9050 8.5681 8.5733 8.6079 8.6149 8.9271 8.9358 9.1836 9.2731 9.5006 9.5482 9.6152 9.6484 12.5953 12.6163 12.6923 12.7015 12.8093 12.8204 14.6913 14.6941 k = 0.0711-0.0003-0.0714 ( 2821 PWs) bands (ev): -46.1580 -46.1580 -22.8830 -22.8823 -22.2315 -22.2313 -22.2268 -22.2262 -14.7207 -14.7206 -6.7174 -6.7144 -6.0534 -6.0483 -6.0473 -6.0453 -1.2508 -1.2496 0.6624 0.6640 0.6944 0.6995 7.6300 7.6730 7.7979 7.8439 7.8823 7.8951 8.5405 8.5464 8.5892 8.5962 8.9144 8.9237 9.1478 9.2358 9.4978 9.5410 9.6154 9.6516 12.5969 12.6198 12.7164 12.7273 12.8199 12.8319 14.7051 14.7083 k = 0.0800-0.0004-0.0804 ( 2823 PWs) bands (ev): -46.1580 -46.1580 -22.8834 -22.8827 -22.2321 -22.2317 -22.2271 -22.2265 -14.7181 -14.7180 -6.7177 -6.7144 -6.0533 -6.0472 -6.0469 -6.0440 -1.2460 -1.2447 0.6637 0.6655 0.7043 0.7095 7.6033 7.6498 7.7701 7.8191 7.8710 7.8841 8.5101 8.5169 8.5677 8.5745 8.9028 8.9123 9.1109 9.1964 9.4932 9.5327 9.6141 9.6522 12.6003 12.6247 12.7427 12.7554 12.8327 12.8456 14.7203 14.7238 k = 0.0889-0.0004-0.0893 ( 2823 PWs) bands (ev): -46.1580 -46.1580 -22.8839 -22.8830 -22.2327 -22.2322 -22.2275 -22.2267 -14.7151 -14.7150 -6.7181 -6.7143 -6.0532 -6.0466 -6.0457 -6.0424 -1.2409 -1.2395 0.6651 0.6672 0.7149 0.7203 7.5731 7.6217 7.7411 7.7915 7.8594 7.8724 8.4770 8.4849 8.5435 8.5501 8.8925 8.9019 9.0733 9.1553 9.4872 9.5233 9.6110 9.6501 12.6057 12.6312 12.7706 12.7851 12.8479 12.8618 14.7365 14.7404 k = 0.0978-0.0005-0.0982 ( 2813 PWs) bands (ev): -46.1580 -46.1580 -22.8843 -22.8833 -22.2334 -22.2328 -22.2278 -22.2270 -14.7119 -14.7118 -6.7184 -6.7143 -6.0530 -6.0461 -6.0440 -6.0405 -1.2355 -1.2339 0.6667 0.6689 0.7263 0.7318 7.5393 7.5885 7.7110 7.7611 7.8476 7.8602 8.4416 8.4510 8.5169 8.5233 8.8835 8.8921 9.0355 9.1131 9.4795 9.5129 9.6062 9.6455 12.6133 12.6397 12.7997 12.8157 12.8663 12.8811 14.7538 14.7580 k = 0.1066-0.0005-0.1071 ( 2811 PWs) bands (ev): -46.1579 -46.1579 -22.8848 -22.8838 -22.2342 -22.2334 -22.2281 -22.2273 -14.7085 -14.7084 -6.7186 -6.7142 -6.0528 -6.0456 -6.0421 -6.0384 -1.2300 -1.2280 0.6684 0.6708 0.7383 0.7437 7.5023 7.5507 7.6797 7.7280 7.8358 7.8476 8.4041 8.4154 8.4882 8.4947 8.8754 8.8822 8.9985 9.0702 9.4706 9.5016 9.5996 9.6386 12.6231 12.6504 12.8291 12.8457 12.8891 12.9039 14.7717 14.7763 k = 0.1155-0.0006-0.1161 ( 2811 PWs) bands (ev): -46.1579 -46.1579 -22.8853 -22.8842 -22.2350 -22.2341 -22.2285 -22.2276 -14.7048 -14.7047 -6.7188 -6.7141 -6.0526 -6.0451 -6.0398 -6.0359 -1.2243 -1.2219 0.6702 0.6728 0.7506 0.7560 7.4621 7.5089 7.6466 7.6921 7.8239 7.8347 8.3649 8.3781 8.4576 8.4645 8.8672 8.8705 8.9645 9.0276 9.4604 9.4894 9.5913 9.6296 12.6353 12.6632 12.8584 12.8738 12.9173 12.9306 14.7903 14.7952 k = 0.1244-0.0006-0.1250 ( 2809 PWs) bands (ev): -46.1579 -46.1579 -22.8859 -22.8847 -22.2359 -22.2349 -22.2289 -22.2280 -14.7010 -14.7008 -6.7188 -6.7139 -6.0523 -6.0446 -6.0372 -6.0331 -1.2185 -1.2157 0.6722 0.6750 0.7632 0.7685 7.4191 7.4637 7.6116 7.6536 7.8119 7.8218 8.3243 8.3394 8.4258 8.4332 8.8518 8.8587 8.9372 8.9872 9.4490 9.4765 9.5815 9.6189 12.6500 12.6783 12.8872 12.9002 12.9506 12.9612 14.8094 14.8145 k = 0.1333-0.0006-0.1339 ( 2807 PWs) bands (ev): -46.1578 -46.1578 -22.8865 -22.8852 -22.2369 -22.2357 -22.2292 -22.2283 -14.6969 -14.6967 -6.7187 -6.7135 -6.0520 -6.0441 -6.0342 -6.0299 -1.2128 -1.2093 0.6742 0.6772 0.7759 0.7811 7.3738 7.4157 7.5743 7.6126 7.7999 7.8089 8.2824 8.2994 8.3931 8.4010 8.8250 8.8445 8.9199 8.9522 9.4366 9.4630 9.5707 9.6068 12.6671 12.6958 12.9159 12.9260 12.9875 12.9955 14.8287 14.8341 k = 0.1422-0.0007-0.1429 ( 2803 PWs) bands (ev): -46.1578 -46.1578 -22.8871 -22.8858 -22.2379 -22.2366 -22.2296 -22.2286 -14.6926 -14.6925 -6.7185 -6.7130 -6.0516 -6.0435 -6.0309 -6.0264 -1.2071 -1.2030 0.6763 0.6796 0.7884 0.7938 7.3264 7.3656 7.5347 7.5693 7.7876 7.7960 8.2396 8.2581 8.3599 8.3682 8.7904 8.8209 8.9114 8.9276 9.4232 9.4487 9.5590 9.5939 12.6866 12.7157 12.9447 12.9525 13.0265 13.0327 14.8482 14.8539 k = 0.1511-0.0007-0.1518 ( 2801 PWs) bands (ev): -46.1577 -46.1577 -22.8877 -22.8863 -22.2389 -22.2375 -22.2300 -22.2289 -14.6882 -14.6880 -6.7180 -6.7123 -6.0513 -6.0429 -6.0273 -6.0226 -1.2015 -1.1966 0.6785 0.6821 0.8006 0.8064 7.2773 7.3139 7.4929 7.5239 7.7751 7.7831 8.1959 8.2156 8.3267 8.3350 8.7517 8.7868 8.9079 8.9148 9.4087 9.4336 9.5471 9.5808 12.7086 12.7378 12.9742 12.9799 13.0669 13.0722 14.8676 14.8736 k = 0.1600-0.0008-0.1607 ( 2797 PWs) bands (ev): -46.1577 -46.1577 -22.8883 -22.8869 -22.2400 -22.2385 -22.2303 -22.2293 -14.6836 -14.6834 -6.7172 -6.7113 -6.0509 -6.0422 -6.0233 -6.0184 -1.1960 -1.1903 0.6807 0.6846 0.8123 0.8187 7.2269 7.2610 7.4490 7.4766 7.7622 7.7702 8.1514 8.1718 8.2937 8.3017 8.7112 8.7459 8.9070 8.9104 9.3930 9.4176 9.5355 9.5679 12.7328 12.7623 13.0045 13.0087 13.1082 13.1134 14.8869 14.8931 k = 0.1688-0.0008-0.1696 ( 2796 PWs) bands (ev): -46.1576 -46.1576 -22.8890 -22.8876 -22.2412 -22.2396 -22.2307 -22.2296 -14.6789 -14.6787 -6.7162 -6.7100 -6.0504 -6.0416 -6.0190 -6.0140 -1.1908 -1.1842 0.6830 0.6872 0.8232 0.8307 7.1755 7.2072 7.4032 7.4276 7.7490 7.7571 8.1060 8.1268 8.2610 8.2684 8.6704 8.7023 8.9075 8.9110 9.3760 9.4002 9.5248 9.5559 12.7593 12.7888 13.0357 13.0388 13.1504 13.1559 14.9059 14.9124 k = 0.1777-0.0008-0.1786 ( 2796 PWs) bands (ev): -46.1576 -46.1576 -22.8897 -22.8882 -22.2424 -22.2407 -22.2311 -22.2299 -14.6741 -14.6739 -6.7148 -6.7084 -6.0500 -6.0409 -6.0145 -6.0093 -1.1858 -1.1782 0.6852 0.6899 0.8333 0.8422 7.1236 7.1530 7.3557 7.3773 7.7354 7.7439 8.0599 8.0805 8.2289 8.2352 8.6301 8.6580 8.9097 8.9140 9.3577 9.3813 9.5158 9.5453 12.7879 12.8175 13.0679 13.0701 13.1931 13.1992 14.9246 14.9314 k = 0.1866-0.0009-0.1875 ( 2792 PWs) bands (ev): -46.1575 -46.1575 -22.8904 -22.8889 -22.2436 -22.2418 -22.2314 -22.2303 -14.6692 -14.6690 -6.7130 -6.7065 -6.0495 -6.0402 -6.0097 -6.0043 -1.1811 -1.1725 0.6874 0.6926 0.8425 0.8531 7.0713 7.0986 7.3069 7.3258 7.7212 7.7304 8.0129 8.0328 8.1973 8.2025 8.5910 8.6145 8.9133 8.9183 9.3379 9.3606 9.5087 9.5366 12.8184 12.8480 13.1008 13.1028 13.2364 13.2430 14.9427 14.9498 k = 0.1955-0.0009-0.1964 ( 2790 PWs) bands (ev): -46.1575 -46.1575 -22.8912 -22.8896 -22.2449 -22.2430 -22.2318 -22.2306 -14.6642 -14.6641 -6.7107 -6.7040 -6.0489 -6.0396 -6.0047 -5.9992 -1.1767 -1.1671 0.6895 0.6954 0.8507 0.8631 7.0190 7.0444 7.2569 7.2734 7.7064 7.7166 7.9650 7.9837 8.1663 8.1700 8.5538 8.5729 8.9181 8.9235 9.3167 9.3380 9.5041 9.5301 12.8508 12.8804 13.1344 13.1366 13.2801 13.2872 14.9603 14.9676 k = 0.2044-0.0010-0.2054 ( 2790 PWs) bands (ev): -46.1574 -46.1574 -22.8919 -22.8903 -22.2462 -22.2442 -22.2322 -22.2310 -14.6592 -14.6591 -6.7080 -6.7011 -6.0484 -6.0388 -5.9995 -5.9939 -1.1727 -1.1620 0.6914 0.6981 0.8577 0.8723 6.9668 6.9905 7.2060 7.2205 7.6908 7.7025 7.9161 7.9332 8.1358 8.1380 8.5191 8.5340 8.9237 8.9295 9.2940 9.3138 9.5021 9.5261 12.8848 12.9145 13.1687 13.1713 13.3240 13.3315 14.9773 14.9848 k = 0.2133-0.0010-0.2143 ( 2790 PWs) bands (ev): -46.1574 -46.1574 -22.8927 -22.8910 -22.2475 -22.2455 -22.2326 -22.2313 -14.6542 -14.6540 -6.7047 -6.6977 -6.0478 -6.0381 -5.9943 -5.9886 -1.1690 -1.1572 0.6933 0.7008 0.8636 0.8806 6.9151 6.9372 7.1546 7.1671 7.6742 7.6880 7.8662 7.8814 8.1055 8.1064 8.4876 8.4987 8.9300 8.9361 9.2701 9.2881 9.5027 9.5245 12.9204 12.9500 13.2035 13.2067 13.3680 13.3760 14.9935 15.0013 k = 0.2222-0.0011-0.2232 ( 2792 PWs) bands (ev): -46.1573 -46.1573 -22.8934 -22.8918 -22.2488 -22.2467 -22.2330 -22.2317 -14.6491 -14.6489 -6.7008 -6.6937 -6.0472 -6.0374 -5.9890 -5.9832 -1.1658 -1.1528 0.6949 0.7033 0.8683 0.8878 6.8639 6.8846 7.1027 7.1136 7.6562 7.6733 7.8156 7.8284 8.0749 8.0755 8.4599 8.4678 8.9367 8.9431 9.2451 9.2612 9.5058 9.5255 12.9574 12.9870 13.2388 13.2427 13.4120 13.4204 15.0089 15.0169 k = 0.2310-0.0011-0.2321 ( 2792 PWs) bands (ev): -46.1573 -46.1573 -22.8942 -22.8925 -22.2501 -22.2480 -22.2334 -22.2321 -14.6440 -14.6439 -6.6963 -6.6890 -6.0466 -6.0367 -5.9837 -5.9778 -1.1629 -1.1489 0.6963 0.7058 0.8719 0.8940 6.8136 6.8329 7.0508 7.0602 7.6362 7.6582 7.7642 7.7749 8.0437 8.0452 8.4364 8.4418 8.9437 8.9506 9.2192 9.2335 9.5113 9.5289 12.9957 13.0252 13.2745 13.2789 13.4560 13.4646 15.0235 15.0317 k = 0.2399-0.0011-0.2411 ( 2792 PWs) bands (ev): -46.1572 -46.1572 -22.8950 -22.8933 -22.2514 -22.2493 -22.2337 -22.2324 -14.6390 -14.6389 -6.6911 -6.6837 -6.0460 -6.0359 -5.9785 -5.9725 -1.1605 -1.1453 0.6973 0.7080 0.8742 0.8991 6.7641 6.7822 6.9988 7.0070 7.6130 7.6428 7.7113 7.7234 8.0126 8.0147 8.4175 8.4213 8.9510 8.9583 9.1927 9.2053 9.5190 9.5346 13.0350 13.0644 13.3103 13.3154 13.4997 13.5085 15.0372 15.0456 k = 0.2488-0.0012-0.2500 ( 2790 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8940 -22.2527 -22.2506 -22.2341 -22.2328 -14.6340 -14.6339 -6.6852 -6.6778 -6.0453 -6.0352 -5.9734 -5.9673 -1.1585 -1.1423 0.6981 0.7099 0.8755 0.9032 6.7156 6.7326 6.9472 6.9542 7.5840 7.6261 7.6567 7.6777 7.9814 7.9839 8.4035 8.4065 8.9584 8.9662 9.1659 9.1769 9.5289 9.5425 13.0752 13.1045 13.3462 13.3518 13.5431 13.5522 15.0499 15.0586 k = 0.2577-0.0012-0.2589 ( 2788 PWs) bands (ev): -46.1571 -46.1571 -22.8965 -22.8948 -22.2541 -22.2518 -22.2344 -22.2331 -14.6290 -14.6289 -6.6786 -6.6711 -6.0446 -6.0344 -5.9685 -5.9623 -1.1570 -1.1397 0.6983 0.7114 0.8757 0.9063 6.6683 6.6843 6.8960 6.9021 7.5462 7.5934 7.6159 7.6409 7.9502 7.9527 8.3947 8.3972 8.9658 8.9742 9.1389 9.1487 9.5406 9.5524 13.1163 13.1454 13.3819 13.3882 13.5861 13.5954 15.0617 15.0705 k = 0.2666-0.0013-0.2679 ( 2794 PWs) bands (ev): -46.1571 -46.1571 -22.8973 -22.8956 -22.2554 -22.2532 -22.2348 -22.2335 -14.6242 -14.6240 -6.6712 -6.6636 -6.0439 -6.0337 -5.9639 -5.9577 -1.1558 -1.1375 0.6981 0.7124 0.8752 0.9085 6.6221 6.6372 6.8454 6.8507 7.4996 7.5365 7.5978 7.6126 7.9190 7.9214 8.3909 8.3931 8.9730 8.9820 9.1122 9.1214 9.5541 9.5642 13.1579 13.1869 13.4175 13.4242 13.6287 13.6380 15.0724 15.0815 k = 0.2755-0.0013-0.2768 ( 2790 PWs) bands (ev): -46.1570 -46.1570 -22.8980 -22.8963 -22.2567 -22.2544 -22.2352 -22.2338 -14.6194 -14.6193 -6.6631 -6.6554 -6.0432 -6.0329 -5.9596 -5.9533 -1.1551 -1.1359 0.6973 0.7128 0.8739 0.9098 6.5772 6.5915 6.7957 6.8002 7.4474 7.4772 7.5809 7.5903 7.8880 7.8899 8.3920 8.3939 8.9795 8.9895 9.0861 9.0956 9.5691 9.5776 13.2000 13.2288 13.4526 13.4599 13.6707 13.6801 15.0821 15.0914 k = 0.2844-0.0014-0.2857 ( 2790 PWs) bands (ev): -46.1570 -46.1570 -22.8988 -22.8971 -22.2579 -22.2557 -22.2355 -22.2342 -14.6147 -14.6146 -6.6542 -6.6465 -6.0425 -6.0322 -5.9557 -5.9494 -1.1549 -1.1348 0.6959 0.7125 0.8722 0.9105 6.5336 6.5472 6.7469 6.7508 7.3923 7.4173 7.5635 7.5718 7.8572 7.8586 8.3974 8.3993 8.9844 8.9960 9.0612 9.0730 9.5855 9.5926 13.2423 13.2711 13.4872 13.4950 13.7120 13.7214 15.0908 15.1002 k = 0.2933-0.0014-0.2946 ( 2792 PWs) bands (ev): -46.1569 -46.1569 -22.8995 -22.8978 -22.2592 -22.2570 -22.2358 -22.2345 -14.6101 -14.6100 -6.6445 -6.6368 -6.0418 -6.0315 -5.9523 -5.9459 -1.1550 -1.1341 0.6938 0.7112 0.8702 0.9107 6.4914 6.5043 6.6992 6.7026 7.3357 7.3573 7.5462 7.5555 7.8268 7.8276 8.4065 8.4087 8.9851 9.0002 9.0391 9.0562 9.6031 9.6088 13.2848 13.3134 13.5213 13.5295 13.7525 13.7619 15.0985 15.1080 k = 0.3021-0.0014-0.3036 ( 2798 PWs) bands (ev): -46.1569 -46.1569 -22.9003 -22.8986 -22.2605 -22.2583 -22.2362 -22.2349 -14.6056 -14.6055 -6.6340 -6.6263 -6.0411 -6.0307 -5.9493 -5.9430 -1.1555 -1.1340 0.6910 0.7090 0.8682 0.9104 6.4507 6.4628 6.6528 6.6557 7.2786 7.2975 7.5293 7.5401 7.7969 7.7971 8.4187 8.4215 8.9782 8.9970 9.0261 9.0486 9.6217 9.6261 13.3273 13.3557 13.5546 13.5632 13.7922 13.8015 15.1051 15.1148 k = 0.3110-0.0015-0.3125 ( 2798 PWs) bands (ev): -46.1568 -46.1568 -22.9010 -22.8993 -22.2617 -22.2595 -22.2365 -22.2352 -14.6013 -14.6012 -6.6228 -6.6151 -6.0404 -6.0300 -5.9470 -5.9406 -1.1563 -1.1343 0.6874 0.7057 0.8664 0.9098 6.4113 6.4228 6.6079 6.6103 7.2215 7.2382 7.5132 7.5254 7.7671 7.7677 8.4332 8.4369 8.9645 8.9825 9.0266 9.0494 9.6411 9.6445 13.3697 13.3978 13.5870 13.5960 13.8309 13.8401 15.1107 15.1205 k = 0.3199-0.0015-0.3214 ( 2798 PWs) bands (ev): -46.1568 -46.1568 -22.9017 -22.9000 -22.2628 -22.2607 -22.2368 -22.2356 -14.5971 -14.5971 -6.6109 -6.6031 -6.0397 -6.0293 -5.9453 -5.9389 -1.1575 -1.1350 0.6830 0.7012 0.8650 0.9091 6.3735 6.3843 6.5644 6.5664 7.1649 7.1797 7.4979 7.5111 7.7380 7.7391 8.4494 8.4540 8.9484 8.9656 9.0323 9.0548 9.6610 9.6636 13.4117 13.4395 13.6185 13.6279 13.8685 13.8776 15.1153 15.1251 k = 0.3288-0.0016-0.3304 ( 2798 PWs) bands (ev): -46.1568 -46.1568 -22.9023 -22.9007 -22.2640 -22.2619 -22.2371 -22.2359 -14.5931 -14.5930 -6.5982 -6.5905 -6.0390 -6.0286 -5.9442 -5.9378 -1.1590 -1.1362 0.6778 0.6956 0.8641 0.9083 6.3371 6.3473 6.5227 6.5243 7.1091 7.1223 7.4835 7.4974 7.7097 7.7114 8.4662 8.4719 8.9331 8.9507 9.0394 9.0622 9.6813 9.6833 13.4532 13.4808 13.6490 13.6588 13.9050 13.9139 15.1189 15.1288 k = 0.3377-0.0016-0.3393 ( 2794 PWs) bands (ev): -46.1567 -46.1567 -22.9029 -22.9014 -22.2650 -22.2630 -22.2373 -22.2362 -14.5893 -14.5892 -6.5849 -6.5773 -6.0383 -6.0280 -5.9439 -5.9374 -1.1607 -1.1378 0.6719 0.6889 0.8637 0.9075 6.3022 6.3118 6.4828 6.4840 7.0544 7.0661 7.4698 7.4843 7.6824 7.6846 8.4826 8.4893 8.9205 8.9392 9.0469 9.0707 9.7017 9.7036 13.4941 13.5214 13.6784 13.6885 13.9402 13.9488 15.1215 15.1315 k = 0.3466-0.0017-0.3482 ( 2794 PWs) bands (ev): -46.1567 -46.1567 -22.9035 -22.9021 -22.2661 -22.2641 -22.2376 -22.2365 -14.5856 -14.5855 -6.5711 -6.5634 -6.0376 -6.0273 -5.9442 -5.9377 -1.1627 -1.1398 0.6653 0.6813 0.8640 0.9068 6.2689 6.2778 6.4449 6.4458 7.0010 7.0115 7.4570 7.4718 7.6560 7.6588 8.4976 8.5050 8.9120 8.9321 9.0547 9.0798 9.7220 9.7242 13.5342 13.5611 13.7065 13.7170 13.9741 13.9824 15.1232 15.1332 k = 0.3555-0.0017-0.3572 ( 2792 PWs) bands (ev): -46.1566 -46.1566 -22.9041 -22.9027 -22.2671 -22.2652 -22.2378 -22.2368 -14.5821 -14.5820 -6.5566 -6.5491 -6.0370 -6.0267 -5.9454 -5.9388 -1.1648 -1.1421 0.6582 0.6729 0.8648 0.9062 6.2371 6.2453 6.4089 6.4098 6.9492 6.9585 7.4450 7.4598 7.6308 7.6339 8.5100 8.5181 8.9083 8.9302 9.0624 9.0892 9.7423 9.7448 13.5734 13.5999 13.7334 13.7443 14.0065 14.0145 15.1241 15.1340 k = 0.3643-0.0017-0.3661 ( 2796 PWs) bands (ev): -46.1566 -46.1566 -22.9047 -22.9033 -22.2680 -22.2662 -22.2381 -22.2370 -14.5788 -14.5787 -6.5417 -6.5343 -6.0363 -6.0261 -5.9472 -5.9406 -1.1671 -1.1447 0.6505 0.6639 0.8661 0.9058 6.2068 6.2143 6.3749 6.3760 6.8993 6.9075 7.4340 7.4486 7.6066 7.6102 8.5192 8.5274 8.9101 8.9338 9.0702 9.0989 9.7623 9.7652 13.6114 13.6376 13.7590 13.7702 14.0374 14.0450 15.1242 15.1340 k = 0.3732-0.0018-0.3750 ( 2792 PWs) bands (ev): -46.1565 -46.1565 -22.9052 -22.9039 -22.2689 -22.2672 -22.2383 -22.2373 -14.5756 -14.5756 -6.5265 -6.5191 -6.0358 -6.0255 -5.9499 -5.9432 -1.1694 -1.1475 0.6425 0.6545 0.8678 0.9056 6.1781 6.1849 6.3432 6.3446 6.8513 6.8585 7.4238 7.4381 7.5836 7.5875 8.5246 8.5327 8.9173 8.9430 9.0780 9.1089 9.7819 9.7853 13.6482 13.6740 13.7832 13.7948 14.0666 14.0739 15.1235 15.1332 k = 0.3821-0.0018-0.3839 ( 2786 PWs) bands (ev): -46.1565 -46.1565 -22.9057 -22.9044 -22.2697 -22.2681 -22.2385 -22.2375 -14.5727 -14.5727 -6.5109 -6.5037 -6.0352 -6.0249 -5.9532 -5.9465 -1.1718 -1.1505 0.6343 0.6449 0.8699 0.9054 6.1509 6.1570 6.3138 6.3157 6.8055 6.8118 7.4145 7.4284 7.5618 7.5660 8.5264 8.5340 8.9293 8.9572 9.0858 9.1193 9.8011 9.8048 13.6836 13.7089 13.8060 13.8180 14.0942 14.1010 15.1222 15.1316 k = 0.3910-0.0019-0.3929 ( 2786 PWs) bands (ev): -46.1565 -46.1565 -22.9061 -22.9050 -22.2705 -22.2690 -22.2387 -22.2378 -14.5700 -14.5700 -6.4952 -6.4881 -6.0347 -6.0243 -5.9573 -5.9504 -1.1742 -1.1537 0.6261 0.6353 0.8722 0.9054 6.1254 6.1308 6.2869 6.2891 6.7621 6.7676 7.4062 7.4195 7.5411 7.5455 8.5250 8.5319 8.9452 8.9753 9.0939 9.1299 9.8196 9.8236 13.7173 13.7423 13.8272 13.8397 14.1199 14.1263 15.1203 15.1295 k = 0.3999-0.0019-0.4018 ( 2784 PWs) bands (ev): -46.1564 -46.1564 -22.9066 -22.9055 -22.2712 -22.2698 -22.2388 -22.2380 -14.5675 -14.5674 -6.4794 -6.4726 -6.0342 -6.0238 -5.9619 -5.9549 -1.1765 -1.1570 0.6179 0.6259 0.8748 0.9054 6.1014 6.1062 6.2624 6.2650 6.7212 6.7259 7.3988 7.4114 7.5217 7.5263 8.5211 8.5272 8.9634 8.9960 9.1023 9.1411 9.8373 9.8414 13.7493 13.7738 13.8469 13.8599 14.1439 14.1498 15.1180 15.1268 k = 0.4088-0.0019-0.4107 ( 2784 PWs) bands (ev): -46.1564 -46.1564 -22.9069 -22.9059 -22.2719 -22.2706 -22.2390 -22.2382 -14.5652 -14.5651 -6.4638 -6.4572 -6.0338 -6.0233 -5.9672 -5.9600 -1.1787 -1.1604 0.6098 0.6168 0.8774 0.9055 6.0791 6.0833 6.2403 6.2433 6.6830 6.6870 7.3924 7.4042 7.5035 7.5082 8.5155 8.5207 8.9828 9.0176 9.1116 9.1526 9.8541 9.8583 13.7794 13.8035 13.8650 13.8785 14.1659 14.1713 15.1153 15.1238 k = 0.4177-0.0020-0.4197 ( 2788 PWs) bands (ev): -46.1564 -46.1564 -22.9073 -22.9064 -22.2725 -22.2713 -22.2391 -22.2384 -14.5630 -14.5630 -6.4484 -6.4421 -6.0335 -6.0228 -5.9729 -5.9655 -1.1808 -1.1638 0.6022 0.6081 0.8801 0.9056 6.0586 6.0622 6.2208 6.2239 6.6476 6.6511 7.3870 7.3980 7.4865 7.4913 8.5088 8.5131 9.0021 9.0383 9.1222 9.1647 9.8698 9.8740 13.8074 13.8311 13.8814 13.8956 14.1860 14.1909 15.1124 15.1204 k = 0.4265-0.0020-0.4286 ( 2786 PWs) bands (ev): -46.1564 -46.1564 -22.9076 -22.9068 -22.2731 -22.2720 -22.2392 -22.2386 -14.5612 -14.5611 -6.4335 -6.4275 -6.0332 -6.0223 -5.9790 -5.9713 -1.1827 -1.1671 0.5950 0.6001 0.8828 0.9056 6.0399 6.0429 6.2037 6.2069 6.6153 6.6181 7.3826 7.3928 7.4707 7.4756 8.5016 8.5052 9.0204 9.0566 9.1350 9.1772 9.8843 9.8884 13.8331 13.8564 13.8961 13.9110 14.2041 14.2085 15.1093 15.1168 k = 0.4354-0.0021-0.4375 ( 2784 PWs) bands (ev): -46.1563 -46.1563 -22.9079 -22.9071 -22.2735 -22.2725 -22.2393 -22.2388 -14.5595 -14.5595 -6.4193 -6.4137 -6.0329 -6.0219 -5.9852 -5.9772 -1.1843 -1.1703 0.5883 0.5927 0.8855 0.9056 6.0230 6.0256 6.1890 6.1922 6.5861 6.5885 7.3792 7.3886 7.4562 7.4611 8.4944 8.4973 9.0370 9.0710 9.1501 9.1898 9.8976 9.9014 13.8564 13.8795 13.9091 13.9248 14.2202 14.2241 15.1063 15.1131 k = 0.4443-0.0021-0.4464 ( 2782 PWs) bands (ev): -46.1563 -46.1563 -22.9081 -22.9075 -22.2739 -22.2730 -22.2394 -22.2389 -14.5580 -14.5580 -6.4059 -6.4009 -6.0327 -6.0216 -5.9914 -5.9831 -1.1857 -1.1733 0.5824 0.5860 0.8881 0.9055 6.0082 6.0104 6.1765 6.1796 6.5603 6.5622 7.3769 7.3855 7.4430 7.4477 8.4875 8.4898 9.0515 9.0817 9.1668 9.2022 9.9094 9.9130 13.8771 13.9000 13.9203 13.9369 14.2342 14.2376 15.1034 15.1094 k = 0.4532-0.0022-0.4554 ( 2780 PWs) bands (ev): -46.1563 -46.1563 -22.9083 -22.9077 -22.2742 -22.2735 -22.2395 -22.2391 -14.5568 -14.5567 -6.3937 -6.3893 -6.0325 -6.0213 -5.9973 -5.9887 -1.1867 -1.1762 0.5772 0.5802 0.8906 0.9052 5.9954 5.9972 6.1663 6.1691 6.5379 6.5394 7.3757 7.3835 7.4309 7.4356 8.4813 8.4831 9.0637 9.0891 9.1839 9.2139 9.9197 9.9229 13.8952 13.9180 13.9297 13.9472 14.2463 14.2491 15.1007 15.1060 k = 0.4621-0.0022-0.4643 ( 2784 PWs) bands (ev): -46.1563 -46.1563 -22.9084 -22.9080 -22.2745 -22.2739 -22.2395 -22.2392 -14.5557 -14.5557 -6.3830 -6.3792 -6.0322 -6.0213 -6.0026 -5.9940 -1.1875 -1.1788 0.5728 0.5752 0.8929 0.9047 5.9847 5.9861 6.1581 6.1605 6.5192 6.5203 7.3756 7.3826 7.4201 7.4248 8.4758 8.4772 9.0739 9.0941 9.2001 9.2242 9.9285 9.9311 13.9106 13.9333 13.9371 13.9556 14.2562 14.2586 15.0985 15.1028 k = 0.4710-0.0022-0.4732 ( 2788 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9082 -22.2747 -22.2743 -22.2396 -22.2393 -14.5549 -14.5549 -6.3740 -6.3709 -6.0318 -6.0219 -6.0066 -5.9986 -1.1878 -1.1811 0.5694 0.5712 0.8950 0.9041 5.9762 5.9773 6.1518 6.1538 6.5042 6.5050 7.3765 7.3829 7.4105 7.4151 8.4714 8.4724 9.0821 9.0972 9.2143 9.2325 9.9355 9.9377 13.9232 13.9425 13.9459 13.9621 14.2642 14.2660 15.0967 15.1001 k = 0.4799-0.0023-0.4822 ( 2790 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9084 -22.2749 -22.2745 -22.2396 -22.2394 -14.5543 -14.5543 -6.3669 -6.3648 -6.0311 -6.0232 -6.0090 -6.0025 -1.1878 -1.1831 0.5669 0.5682 0.8970 0.9033 5.9700 5.9707 6.1475 6.1489 6.4931 6.4937 7.3786 7.3843 7.4021 7.4067 8.4681 8.4688 9.0885 9.0988 9.2259 9.2384 9.9409 9.9424 13.9330 13.9460 13.9557 13.9665 14.2701 14.2713 15.0954 15.0978 k = 0.4888-0.0023-0.4911 ( 2776 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9085 -22.2748 -22.2747 -22.2395 -22.2394 -14.5539 -14.5539 -6.3621 -6.3609 -6.0300 -6.0253 -6.0096 -6.0056 -1.1875 -1.1848 0.5654 0.5661 0.8988 0.9023 5.9660 5.9665 6.1449 6.1457 6.4861 6.4864 7.3818 7.3871 7.3949 7.3996 8.4660 8.4664 9.0932 9.0989 9.2345 9.2414 9.9444 9.9453 13.9402 13.9473 13.9627 13.9686 14.2740 14.2746 15.0948 15.0962 k = 0.4976-0.0024-0.5000 ( 2780 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9086 -22.2748 -22.2748 -22.2395 -22.2395 -14.5537 -14.5537 -6.3597 -6.3594 -6.0285 -6.0274 -6.0088 -6.0079 -1.1867 -1.1861 0.5649 0.5651 0.9003 0.9011 5.9644 5.9645 6.1439 6.1441 6.4830 6.4831 7.3861 7.3888 7.3911 7.3937 8.4652 8.4653 9.0965 9.0977 9.2398 9.2413 9.9462 9.9464 13.9449 13.9463 13.9670 13.9682 14.2758 14.2759 15.0948 15.0951 k = 0.5024 0.4953-0.0047 ( 2780 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9086 -22.2748 -22.2748 -22.2395 -22.2395 -14.5537 -14.5537 -6.3597 -6.3595 -6.0284 -6.0274 -6.0088 -6.0079 -1.1867 -1.1861 0.5649 0.5651 0.9003 0.9011 5.9644 5.9645 6.1439 6.1441 6.4831 6.4831 7.3861 7.3888 7.3911 7.3937 8.4652 8.4652 9.0965 9.0977 9.2398 9.2412 9.9462 9.9464 13.9449 13.9463 13.9670 13.9682 14.2758 14.2759 15.0948 15.0951 k = 0.5000 0.4976-0.0047 ( 2778 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9086 -22.2748 -22.2748 -22.2395 -22.2395 -14.5537 -14.5537 -6.3595 -6.3595 -6.0279 -6.0279 -6.0084 -6.0084 -1.1864 -1.1864 0.5650 0.5650 0.9007 0.9007 5.9644 5.9644 6.1440 6.1440 6.4829 6.4829 7.3874 7.3874 7.3923 7.3923 8.4651 8.4651 9.0972 9.0972 9.2406 9.2406 9.9464 9.9464 13.9457 13.9457 13.9677 13.9677 14.2759 14.2759 15.0950 15.0950 k = 0.5000 0.4976-0.0047 ( 2778 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9086 -22.2748 -22.2748 -22.2395 -22.2395 -14.5537 -14.5537 -6.3595 -6.3595 -6.0279 -6.0279 -6.0084 -6.0084 -1.1864 -1.1864 0.5650 0.5650 0.9007 0.9007 5.9644 5.9644 6.1440 6.1440 6.4829 6.4829 7.3874 7.3874 7.3923 7.3923 8.4651 8.4651 9.0972 9.0972 9.2406 9.2406 9.9464 9.9464 13.9457 13.9457 13.9677 13.9677 14.2759 14.2759 15.0950 15.0950 k = 0.5001 0.4977 0.0080 ( 2778 PWs) bands (ev): -46.1563 -46.1563 -22.9086 -22.9086 -22.2748 -22.2748 -22.2396 -22.2395 -14.5536 -14.5536 -6.3588 -6.3587 -6.0279 -6.0274 -6.0082 -6.0082 -1.1894 -1.1854 0.5638 0.5638 0.8962 0.9014 5.9639 5.9652 6.1466 6.1466 6.4829 6.4829 7.3872 7.3883 7.3933 7.3934 8.4606 8.4611 9.0985 9.0985 9.2412 9.2416 9.9464 9.9465 13.9448 13.9468 13.9680 13.9684 14.2763 14.2763 15.0995 15.1011 k = 0.5001 0.4977 0.0207 ( 2779 PWs) bands (ev): -46.1563 -46.1563 -22.9087 -22.9086 -22.2748 -22.2748 -22.2398 -22.2396 -14.5533 -14.5533 -6.3566 -6.3564 -6.0274 -6.0264 -6.0075 -6.0075 -1.1944 -1.1864 0.5604 0.5605 0.8878 0.8981 5.9637 5.9662 6.1545 6.1546 6.4829 6.4829 7.3876 7.3899 7.3963 7.3966 8.4474 8.4485 9.1026 9.1026 9.2434 9.2441 9.9467 9.9468 13.9442 13.9481 13.9693 13.9701 14.2773 14.2773 15.1146 15.1176 k = 0.5002 0.4978 0.0334 ( 2783 PWs) bands (ev): -46.1563 -46.1563 -22.9089 -22.9086 -22.2748 -22.2748 -22.2402 -22.2398 -14.5529 -14.5529 -6.3530 -6.3526 -6.0263 -6.0249 -6.0064 -6.0064 -1.2013 -1.1894 0.5547 0.5549 0.8756 0.8910 5.9638 5.9672 6.1677 6.1678 6.4828 6.4828 7.3886 7.3922 7.4012 7.4017 8.4261 8.4276 9.1092 9.1094 9.2471 9.2482 9.9472 9.9472 13.9437 13.9493 13.9720 13.9732 14.2789 14.2790 15.1398 15.1442 k = 0.5002 0.4979 0.0461 ( 2781 PWs) bands (ev): -46.1562 -46.1562 -22.9091 -22.9087 -22.2748 -22.2748 -22.2406 -22.2401 -14.5522 -14.5522 -6.3479 -6.3473 -6.0247 -6.0228 -6.0049 -6.0048 -1.2101 -1.1944 0.5469 0.5471 0.8598 0.8801 5.9642 5.9682 6.1861 6.1863 6.4827 6.4827 7.3901 7.3950 7.4080 7.4088 8.3971 8.3989 9.1183 9.1186 9.2524 9.2537 9.9479 9.9479 13.9433 13.9504 13.9764 13.9780 14.2813 14.2814 15.1746 15.1802 k = 0.5003 0.4979 0.0588 ( 2777 PWs) bands (ev): -46.1562 -46.1562 -22.9092 -22.9088 -22.2747 -22.2747 -22.2411 -22.2405 -14.5514 -14.5514 -6.3413 -6.3407 -6.0226 -6.0203 -6.0030 -6.0028 -1.2208 -1.2013 0.5369 0.5372 0.8406 0.8656 5.9646 5.9691 6.2095 6.2101 6.4826 6.4826 7.3921 7.3983 7.4166 7.4176 8.3609 8.3630 9.1297 9.1302 9.2592 9.2607 9.9488 9.9488 13.9432 13.9515 13.9827 13.9844 14.2844 14.2844 15.2183 15.2249 k = 0.5004 0.4980 0.0715 ( 2776 PWs) bands (ev): -46.1562 -46.1562 -22.9095 -22.9090 -22.2747 -22.2747 -22.2417 -22.2410 -14.5503 -14.5503 -6.3334 -6.3326 -6.0201 -6.0173 -6.0006 -6.0004 -1.2332 -1.2101 0.5249 0.5252 0.8181 0.8476 5.9650 5.9698 6.2379 6.2387 6.4825 6.4825 7.3944 7.4020 7.4268 7.4280 8.3184 8.3206 9.1433 9.1440 9.2675 9.2693 9.9498 9.9499 13.9437 13.9528 13.9909 13.9926 14.2882 14.2882 15.2698 15.2773 k = 0.5004 0.4980 0.0842 ( 2778 PWs) bands (ev): -46.1562 -46.1562 -22.9097 -22.9092 -22.2747 -22.2746 -22.2424 -22.2416 -14.5491 -14.5491 -6.3241 -6.3231 -6.0170 -6.0138 -5.9978 -5.9976 -1.2472 -1.2207 0.5109 0.5113 0.7927 0.8264 5.9654 5.9702 6.2709 6.2720 6.4824 6.4824 7.3968 7.4059 7.4382 7.4397 8.2703 8.2724 9.1589 9.1599 9.2773 9.2793 9.9510 9.9511 13.9452 13.9548 14.0007 14.0024 14.2926 14.2927 15.3284 15.3365 k = 0.5005 0.4981 0.0969 ( 2778 PWs) bands (ev): -46.1562 -46.1562 -22.9100 -22.9094 -22.2746 -22.2746 -22.2432 -22.2423 -14.5478 -14.5478 -6.3135 -6.3124 -6.0135 -6.0098 -5.9946 -5.9944 -1.2629 -1.2330 0.4951 0.4956 0.7646 0.8021 5.9657 5.9704 6.3084 6.3095 6.4822 6.4824 7.3992 7.4099 7.4508 7.4526 8.2175 8.2194 9.1766 9.1779 9.2887 9.2907 9.9524 9.9525 13.9479 13.9578 14.0121 14.0137 14.2978 14.2978 15.3930 15.4015 k = 0.5005 0.4982 0.1096 ( 2778 PWs) bands (ev): -46.1562 -46.1562 -22.9104 -22.9096 -22.2746 -22.2745 -22.2440 -22.2431 -14.5463 -14.5462 -6.3016 -6.3004 -6.0096 -6.0054 -5.9911 -5.9908 -1.2800 -1.2470 0.4776 0.4781 0.7340 0.7752 5.9658 5.9704 6.3499 6.3507 6.4822 6.4825 7.4013 7.4136 7.4641 7.4664 8.1608 8.1624 9.1961 9.1978 9.3016 9.3037 9.9540 9.9541 13.9520 13.9619 14.0250 14.0264 14.3035 14.3036 15.4626 15.4714 k = 0.5006 0.4982 0.1222 ( 2782 PWs) bands (ev): -46.1561 -46.1561 -22.9107 -22.9099 -22.2745 -22.2745 -22.2450 -22.2440 -14.5446 -14.5446 -6.2886 -6.2873 -6.0052 -6.0007 -5.9872 -5.9868 -1.2984 -1.2626 0.4585 0.4591 0.7014 0.7457 5.9657 5.9702 6.3950 6.3951 6.4821 6.4828 7.4028 7.4168 7.4778 7.4806 8.1015 8.1026 9.2176 9.2195 9.3160 9.3183 9.9557 9.9558 13.9576 13.9674 14.0393 14.0406 14.3099 14.3100 15.5361 15.5451 k = 0.5007 0.4983 0.1349 ( 2786 PWs) bands (ev): -46.1561 -46.1561 -22.9111 -22.9103 -22.2745 -22.2744 -22.2461 -22.2450 -14.5428 -14.5428 -6.2744 -6.2730 -6.0005 -5.9955 -5.9829 -5.9825 -1.3181 -1.2796 0.4379 0.4386 0.6669 0.7141 5.9655 5.9697 6.4413 6.4431 6.4824 6.4845 7.4032 7.4188 7.4916 7.4948 8.0408 8.0411 9.2409 9.2432 9.3321 9.3344 9.9575 9.9577 13.9648 13.9744 14.0548 14.0560 14.3169 14.3170 15.6126 15.6217 k = 0.5007 0.4983 0.1476 ( 2790 PWs) bands (ev): -46.1561 -46.1561 -22.9116 -22.9106 -22.2744 -22.2743 -22.2472 -22.2460 -14.5409 -14.5409 -6.2593 -6.2577 -5.9954 -5.9900 -5.9784 -5.9779 -1.3388 -1.2979 0.4160 0.4169 0.6309 0.6806 5.9650 5.9690 6.4746 6.4797 6.4970 6.5016 7.4019 7.4190 7.5049 7.5087 7.9795 7.9802 9.2660 9.2685 9.3498 9.3521 9.9595 9.9597 13.9736 13.9829 14.0715 14.0726 14.3243 14.3246 15.6910 15.7002 k = 0.5008 0.4984 0.1603 ( 2792 PWs) bands (ev): -46.1560 -46.1560 -22.9120 -22.9110 -22.2744 -22.2743 -22.2483 -22.2471 -14.5388 -14.5388 -6.2431 -6.2414 -5.9900 -5.9842 -5.9735 -5.9730 -1.3605 -1.3174 0.3931 0.3940 0.5937 0.6456 5.9643 5.9681 6.4790 6.4811 6.5493 6.5495 7.3979 7.4161 7.5173 7.5215 7.9197 7.9220 9.2929 9.2956 9.3692 9.3715 9.9616 9.9619 13.9840 13.9929 14.0893 14.0904 14.3323 14.3326 15.7703 15.7795 k = 0.5008 0.4985 0.1730 ( 2791 PWs) bands (ev): -46.1560 -46.1560 -22.9124 -22.9114 -22.2743 -22.2742 -22.2495 -22.2482 -14.5367 -14.5367 -6.2262 -6.2243 -5.9843 -5.9781 -5.9683 -5.9677 -1.3830 -1.3380 0.3691 0.3702 0.5555 0.6092 5.9633 5.9668 6.4798 6.4812 6.6027 6.6048 7.3898 7.4083 7.5282 7.5325 7.8642 7.8687 9.3213 9.3243 9.3902 9.3925 9.9638 9.9642 13.9959 14.0044 14.1081 14.1091 14.3407 14.3411 15.8496 15.8588 k = 0.5009 0.4985 0.1857 ( 2793 PWs) bands (ev): -46.1560 -46.1560 -22.9129 -22.9118 -22.2742 -22.2741 -22.2507 -22.2494 -14.5345 -14.5345 -6.2085 -6.2065 -5.9784 -5.9718 -5.9629 -5.9622 -1.4061 -1.3595 0.3443 0.3455 0.5168 0.5718 5.9620 5.9653 6.4801 6.4813 6.6575 6.6617 7.3756 7.3933 7.5373 7.5410 7.8162 7.8234 9.3514 9.3545 9.4129 9.4152 9.9661 9.9665 14.0092 14.0173 14.1278 14.1287 14.3496 14.3500 15.9278 15.9370 k = 0.5010 0.4986 0.1984 ( 2791 PWs) bands (ev): -46.1559 -46.1559 -22.9133 -22.9123 -22.2741 -22.2740 -22.2519 -22.2506 -14.5322 -14.5322 -6.1901 -6.1880 -5.9723 -5.9654 -5.9572 -5.9565 -1.4297 -1.3818 0.3189 0.3203 0.4778 0.5337 5.9604 5.9634 6.4803 6.4813 6.7130 6.7196 7.3531 7.3688 7.5448 7.5463 7.7789 7.7888 9.3828 9.3861 9.4372 9.4395 9.9685 9.9690 14.0238 14.0314 14.1483 14.1492 14.3587 14.3593 16.0039 16.0132 k = 0.5010 0.4986 0.2111 ( 2805 PWs) bands (ev): -46.1559 -46.1559 -22.9139 -22.9128 -22.2741 -22.2740 -22.2533 -22.2519 -14.5298 -14.5298 -6.1712 -6.1689 -5.9660 -5.9588 -5.9513 -5.9506 -1.4536 -1.4047 0.2931 0.2945 0.4386 0.4951 5.9583 5.9611 6.4805 6.4813 6.7685 6.7779 7.3208 7.3333 7.5488 7.5511 7.7541 7.7662 9.4155 9.4189 9.4630 9.4653 9.9709 9.9715 14.0397 14.0467 14.1695 14.1703 14.3682 14.3689 16.0768 16.0863 k = 0.5011 0.4987 0.2238 ( 2805 PWs) bands (ev): -46.1559 -46.1559 -22.9143 -22.9132 -22.2740 -22.2739 -22.2545 -22.2531 -14.5274 -14.5274 -6.1519 -6.1495 -5.9596 -5.9522 -5.9451 -5.9445 -1.4777 -1.4282 0.2669 0.2685 0.3997 0.4564 5.9558 5.9584 6.4806 6.4814 6.8235 6.8359 7.2786 7.2880 7.5496 7.5572 7.7411 7.7542 9.4494 9.4527 9.4903 9.4927 9.9734 9.9742 14.0565 14.0630 14.1912 14.1920 14.3779 14.3787 16.1457 16.1555 k = 0.5011 0.4988 0.2365 ( 2798 PWs) bands (ev): -46.1558 -46.1558 -22.9148 -22.9137 -22.2740 -22.2738 -22.2558 -22.2543 -14.5250 -14.5250 -6.1322 -6.1297 -5.9531 -5.9456 -5.9387 -5.9382 -1.5019 -1.4519 0.2406 0.2424 0.3611 0.4177 5.9528 5.9551 6.4808 6.4815 6.8771 6.8928 7.2285 7.2353 7.5503 7.5638 7.7371 7.7504 9.4842 9.4875 9.5191 9.5214 9.9760 9.9768 14.0742 14.0801 14.2135 14.2142 14.3879 14.3887 16.2096 16.2199 k = 0.5012 0.4988 0.2492 ( 2796 PWs) bands (ev): -46.1558 -46.1558 -22.9153 -22.9142 -22.2739 -22.2737 -22.2570 -22.2556 -14.5225 -14.5225 -6.1125 -6.1098 -5.9467 -5.9391 -5.9322 -5.9318 -1.5259 -1.4758 0.2144 0.2163 0.3232 0.3792 5.9492 5.9513 6.4810 6.4816 6.9283 6.9476 7.1740 7.1787 7.5520 7.5713 7.7390 7.7519 9.5196 9.5229 9.5490 9.5514 9.9785 9.9795 14.0926 14.0980 14.2360 14.2367 14.3979 14.3989 16.2678 16.2788 k = 0.5013 0.4989 0.2619 ( 2800 PWs) bands (ev): -46.1558 -46.1558 -22.9158 -22.9147 -22.2738 -22.2737 -22.2583 -22.2569 -14.5201 -14.5201 -6.0926 -6.0898 -5.9402 -5.9327 -5.9254 -5.9253 -1.5496 -1.4998 0.1883 0.1905 0.2862 0.3413 5.9449 5.9468 6.4811 6.4818 6.9743 6.9963 7.1206 7.1229 7.5553 7.5800 7.7443 7.7566 9.5556 9.5587 9.5801 9.5825 9.9811 9.9822 14.1115 14.1165 14.2588 14.2595 14.4081 14.4092 16.3197 16.3315 k = 0.5013 0.4989 0.2746 ( 2800 PWs) bands (ev): -46.1557 -46.1557 -22.9162 -22.9152 -22.2738 -22.2736 -22.2596 -22.2581 -14.5177 -14.5177 -6.0729 -6.0699 -5.9338 -5.9263 -5.9187 -5.9186 -1.5729 -1.5237 0.1626 0.1650 0.2502 0.3041 5.9399 5.9416 6.4813 6.4819 7.0001 7.0150 7.0842 7.0940 7.5602 7.5900 7.7514 7.7631 9.5917 9.5947 9.6121 9.6145 9.9836 9.9849 14.1308 14.1353 14.2816 14.2823 14.4184 14.4195 16.3649 16.3779 k = 0.5014 0.4990 0.2873 ( 2795 PWs) bands (ev): -46.1557 -46.1557 -22.9167 -22.9156 -22.2737 -22.2735 -22.2607 -22.2593 -14.5153 -14.5153 -6.0534 -6.0502 -5.9275 -5.9201 -5.9121 -5.9118 -1.5957 -1.5473 0.1374 0.1400 0.2155 0.2678 5.9341 5.9356 6.4816 6.4821 6.9712 6.9747 7.0982 7.1240 7.5670 7.6014 7.7592 7.7706 9.6278 9.6305 9.6448 9.6473 9.9862 9.9876 14.1502 14.1543 14.3045 14.3051 14.4286 14.4299 16.4034 16.4176 k = 0.5015 0.4991 0.3000 ( 2798 PWs) bands (ev): -46.1557 -46.1557 -22.9172 -22.9161 -22.2737 -22.2735 -22.2619 -22.2605 -14.5129 -14.5129 -6.0342 -6.0308 -5.9214 -5.9141 -5.9055 -5.9050 -1.6177 -1.5705 0.1129 0.1157 0.1822 0.2326 5.9274 5.9287 6.4818 6.4823 6.9188 6.9201 7.1342 7.1662 7.5760 7.6142 7.7673 7.7783 9.6635 9.6659 9.6781 9.6805 9.9886 9.9903 14.1697 14.1733 14.3271 14.3277 14.4388 14.4401 16.4354 16.4510 k = 0.5015 0.4991 0.3127 ( 2800 PWs) bands (ev): -46.1556 -46.1556 -22.9176 -22.9166 -22.2736 -22.2734 -22.2631 -22.2617 -14.5107 -14.5106 -6.0156 -6.0119 -5.9154 -5.9081 -5.8991 -5.8984 -1.6389 -1.5931 0.0892 0.0923 0.1504 0.1986 5.9199 5.9210 6.4820 6.4825 6.8644 6.8651 7.1711 7.2071 7.5872 7.6284 7.7752 7.7859 9.6986 9.7004 9.7117 9.7140 9.9911 9.9929 14.1889 14.1921 14.3494 14.3501 14.4490 14.4503 16.4614 16.4785 k = 0.5016 0.4992 0.3254 ( 2804 PWs) bands (ev): -46.1556 -46.1556 -22.9180 -22.9171 -22.2736 -22.2734 -22.2641 -22.2628 -14.5085 -14.5084 -5.9976 -5.9937 -5.9097 -5.9023 -5.8927 -5.8919 -1.6591 -1.6151 0.0665 0.0698 0.1203 0.1660 5.9115 5.9124 6.4823 6.4827 6.8119 6.8125 7.2054 7.2441 7.6010 7.6440 7.7827 7.7934 9.7327 9.7340 9.7452 9.7473 9.9934 9.9955 14.2077 14.2106 14.3713 14.3719 14.4590 14.4604 16.4820 16.5007 k = 0.5016 0.4992 0.3381 ( 2806 PWs) bands (ev): -46.1556 -46.1556 -22.9185 -22.9175 -22.2736 -22.2734 -22.2651 -22.2638 -14.5063 -14.5063 -5.9804 -5.9762 -5.9041 -5.8966 -5.8865 -5.8856 -1.6782 -1.6362 0.0449 0.0484 0.0920 0.1350 5.9022 5.9029 6.4825 6.4829 6.7626 6.7630 7.2363 7.2763 7.6172 7.6608 7.7898 7.8004 9.7658 9.7665 9.7781 9.7801 9.9957 9.9981 14.2260 14.2285 14.3925 14.3931 14.4688 14.4702 16.4980 16.5182 k = 0.5017 0.4993 0.3508 ( 2802 PWs) bands (ev): -46.1555 -46.1555 -22.9188 -22.9179 -22.2736 -22.2734 -22.2660 -22.2648 -14.5043 -14.5043 -5.9642 -5.9596 -5.8988 -5.8911 -5.8805 -5.8797 -1.6961 -1.6564 0.0245 0.0282 0.0656 0.1057 5.8921 5.8927 6.4827 6.4831 6.7170 6.7174 7.2634 7.3036 7.6359 7.6786 7.7962 7.8069 9.7976 9.7977 9.8101 9.8120 9.9978 10.0005 14.2435 14.2458 14.4130 14.4136 14.4784 14.4798 16.5103 16.5319 k = 0.5018 0.4994 0.3635 ( 2804 PWs) bands (ev): -46.1555 -46.1555 -22.9192 -22.9184 -22.2737 -22.2735 -22.2668 -22.2657 -14.5025 -14.5025 -5.9491 -5.9441 -5.8937 -5.8858 -5.8748 -5.8740 -1.7127 -1.6755 0.0055 0.0093 0.0413 0.0782 5.8814 5.8818 6.4830 6.4833 6.6755 6.6759 7.2868 7.3259 7.6566 7.6968 7.8021 7.8130 9.8275 9.8279 9.8407 9.8427 9.9999 10.0030 14.2602 14.2621 14.4326 14.4331 14.4877 14.4891 16.5196 16.5426 k = 0.5018 0.4994 0.3762 ( 2798 PWs) bands (ev): -46.1555 -46.1555 -22.9195 -22.9187 -22.2737 -22.2735 -22.2675 -22.2665 -14.5007 -14.5007 -5.9353 -5.9299 -5.8887 -5.8806 -5.8693 -5.8687 -1.7278 -1.6935 -0.0120 -0.0081 0.0190 0.0526 5.8702 5.8705 6.4832 6.4835 6.6384 6.6386 7.3068 7.3436 7.6785 7.7151 7.8074 7.8186 9.8556 9.8564 9.8695 9.8716 10.0018 10.0053 14.2757 14.2774 14.4511 14.4516 14.4966 14.4979 16.5269 16.5508 k = 0.5019 0.4995 0.3889 ( 2804 PWs) bands (ev): -46.1555 -46.1555 -22.9198 -22.9191 -22.2738 -22.2737 -22.2682 -22.2672 -14.4991 -14.4991 -5.9229 -5.9171 -5.8840 -5.8755 -5.8642 -5.8638 -1.7415 -1.7101 -0.0279 -0.0240 -0.0012 0.0290 5.8588 5.8590 6.4834 6.4837 6.6055 6.6057 7.3237 7.3575 7.7009 7.7329 7.8121 7.8238 9.8817 9.8829 9.8962 9.8985 10.0037 10.0077 14.2901 14.2915 14.4683 14.4688 14.5051 14.5064 16.5328 16.5573 k = 0.5019 0.4996 0.4016 ( 2816 PWs) bands (ev): -46.1555 -46.1555 -22.9201 -22.9195 -22.2740 -22.2738 -22.2688 -22.2679 -14.4977 -14.4976 -5.9121 -5.9060 -5.8792 -5.8705 -5.8595 -5.8592 -1.7536 -1.7254 -0.0421 -0.0383 -0.0192 0.0076 5.8475 5.8476 6.4836 6.4839 6.5770 6.5771 7.3378 7.3680 7.7228 7.7495 7.8163 7.8286 9.9055 9.9072 9.9205 9.9231 10.0054 10.0100 14.3030 14.3043 14.4841 14.4845 14.5131 14.5142 16.5379 16.5625 k = 0.5020 0.4996 0.4143 ( 2822 PWs) bands (ev): -46.1554 -46.1554 -22.9204 -22.9198 -22.2741 -22.2740 -22.2692 -22.2685 -14.4964 -14.4964 -5.9030 -5.8969 -5.8744 -5.8658 -5.8551 -5.8550 -1.7640 -1.7392 -0.0544 -0.0508 -0.0350 -0.0117 5.8366 5.8367 6.4838 6.4840 6.5526 6.5527 7.3496 7.3759 7.7435 7.7645 7.8201 7.8331 9.9268 9.9290 9.9421 9.9449 10.0072 10.0124 14.3146 14.3157 14.4983 14.4987 14.5205 14.5215 16.5427 16.5667 k = 0.5021 0.4997 0.4270 ( 2818 PWs) bands (ev): -46.1554 -46.1554 -22.9206 -22.9201 -22.2742 -22.2741 -22.2695 -22.2689 -14.4952 -14.4952 -5.8955 -5.8899 -5.8694 -5.8614 -5.8512 -5.8511 -1.7728 -1.7514 -0.0647 -0.0616 -0.0485 -0.0287 5.8265 5.8265 6.4840 6.4841 6.5323 6.5324 7.3593 7.3815 7.7622 7.7775 7.8236 7.8371 9.9453 9.9479 9.9608 9.9638 10.0091 10.0150 14.3246 14.3255 14.5107 14.5110 14.5271 14.5280 16.5477 16.5699 k = 0.5021 0.4997 0.4397 ( 2816 PWs) bands (ev): -46.1554 -46.1554 -22.9207 -22.9203 -22.2743 -22.2743 -22.2697 -22.2692 -14.4943 -14.4943 -5.8896 -5.8849 -5.8644 -5.8576 -5.8478 -5.8476 -1.7797 -1.7621 -0.0731 -0.0705 -0.0598 -0.0433 5.8175 5.8175 6.4841 6.4843 6.5158 6.5159 7.3672 7.3854 7.7783 7.7881 7.8270 7.8407 9.9606 9.9638 9.9762 9.9792 10.0115 10.0177 14.3330 14.3338 14.5212 14.5214 14.5330 14.5337 16.5531 16.5720 k = 0.5022 0.4998 0.4524 ( 2812 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9205 -22.2745 -22.2744 -22.2699 -22.2695 -14.4936 -14.4935 -5.8852 -5.8815 -5.8599 -5.8546 -5.8447 -5.8446 -1.7849 -1.7710 -0.0794 -0.0776 -0.0687 -0.0556 5.8099 5.8100 6.4842 6.4843 6.5030 6.5030 7.3737 7.3878 7.7911 7.7964 7.8305 7.8435 9.9728 9.9763 9.9882 9.9906 10.0147 10.0207 14.3398 14.3404 14.5295 14.5295 14.5382 14.5386 16.5586 16.5722 k = 0.5022 0.4999 0.4651 ( 2813 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9206 -22.2746 -22.2746 -22.2700 -22.2697 -14.4930 -14.4930 -5.8819 -5.8794 -5.8563 -5.8526 -5.8422 -5.8421 -1.7882 -1.7782 -0.0837 -0.0827 -0.0752 -0.0654 5.8041 5.8042 6.4843 6.4843 6.4936 6.4936 7.3788 7.3889 7.8003 7.8025 7.8343 7.8453 9.9816 9.9851 9.9968 9.9980 10.0189 10.0237 14.3449 14.3453 14.5353 14.5354 14.5424 14.5426 16.5634 16.5704 k = 0.5023 0.4999 0.4778 ( 2809 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9207 -22.2746 -22.2746 -22.2700 -22.2698 -14.4926 -14.4926 -5.8798 -5.8783 -5.8537 -5.8515 -5.8404 -5.8404 -1.7897 -1.7836 -0.0862 -0.0860 -0.0790 -0.0727 5.8002 5.8003 6.4842 6.4842 6.4877 6.4877 7.3828 7.3889 7.8059 7.8064 7.8381 7.8456 9.9873 9.9899 10.0021 10.0024 10.0230 10.0260 14.3482 14.3485 14.5389 14.5390 14.5454 14.5455 16.5659 16.5674 k = 0.5024 0.5000 0.4905 ( 2804 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2747 -22.2747 -22.2699 -22.2699 -14.4924 -14.4924 -5.8786 -5.8781 -5.8521 -5.8513 -5.8395 -5.8395 -1.7894 -1.7871 -0.0874 -0.0874 -0.0796 -0.0773 5.7984 5.7985 6.4837 6.4837 6.4854 6.4854 7.3857 7.3879 7.8084 7.8085 7.8414 7.8442 9.9904 9.9914 10.0045 10.0045 10.0258 10.0268 14.3499 14.3500 14.5405 14.5405 14.5470 14.5470 16.5658 16.5659 k = 0.5024 0.5000 0.4905 ( 2804 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2747 -22.2747 -22.2699 -22.2699 -14.4924 -14.4924 -5.8786 -5.8781 -5.8521 -5.8513 -5.8395 -5.8395 -1.7894 -1.7871 -0.0874 -0.0874 -0.0796 -0.0773 5.7984 5.7985 6.4837 6.4837 6.4854 6.4854 7.3857 7.3879 7.8084 7.8085 7.8414 7.8442 9.9904 9.9914 10.0045 10.0045 10.0258 10.0268 14.3499 14.3500 14.5405 14.5405 14.5470 14.5470 16.5657 16.5664 k = 0.5000 0.4976 0.4953 ( 2800 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9208 -22.2746 -22.2746 -22.2699 -22.2699 -14.4924 -14.4924 -5.8783 -5.8783 -5.8516 -5.8516 -5.8393 -5.8393 -1.7884 -1.7884 -0.0876 -0.0876 -0.0787 -0.0787 5.7982 5.7982 6.4836 6.4836 6.4852 6.4852 7.3869 7.3869 7.8088 7.8088 7.8428 7.8428 9.9911 9.9911 10.0047 10.0047 10.0265 10.0265 14.3501 14.3501 14.5407 14.5407 14.5472 14.5472 16.5656 16.5657 k = 0.5000-0.0024-0.0024 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8958 -22.2598 -22.2598 -22.2251 -22.2251 -14.6231 -14.6231 -6.9209 -6.9209 -6.0179 -6.0179 -5.7980 -5.7980 -1.0740 -1.0740 0.8327 0.8327 0.9729 0.9729 6.2304 6.2304 7.4203 7.4203 7.4345 7.4345 7.9260 7.9260 7.9798 7.9798 8.3806 8.3806 8.4929 8.4929 9.0208 9.0208 9.1836 9.1836 12.7679 12.7679 13.8619 13.8619 13.9915 13.9915 14.5980 14.5980 k = 0.5001 0.0067 0.0066 ( 2794 PWs) bands (ev): -46.1572 -46.1572 -22.8958 -22.8957 -22.2599 -22.2598 -22.2252 -22.2252 -14.6230 -14.6230 -6.9202 -6.9201 -6.0177 -6.0177 -5.7984 -5.7983 -1.0743 -1.0741 0.8325 0.8325 0.9722 0.9723 6.2297 6.2305 7.4197 7.4208 7.4335 7.4343 7.9173 7.9211 7.9752 7.9756 8.3852 8.3856 8.4996 8.5001 9.0177 9.0186 9.1823 9.1823 12.7698 12.7699 13.8617 13.8621 13.9907 13.9918 14.6008 14.6017 k = 0.5002 0.0157 0.0156 ( 2800 PWs) bands (ev): -46.1572 -46.1572 -22.8959 -22.8958 -22.2600 -22.2598 -22.2253 -22.2253 -14.6227 -14.6227 -6.9180 -6.9179 -6.0173 -6.0173 -5.7994 -5.7993 -1.0749 -1.0746 0.8321 0.8321 0.9704 0.9706 6.2286 6.2300 7.4186 7.4212 7.4316 7.4330 7.8953 7.9029 7.9632 7.9642 8.3990 8.3996 8.5192 8.5200 9.0096 9.0114 9.1784 9.1785 12.7754 12.7755 13.8613 13.8622 13.9894 13.9916 14.6099 14.6118 k = 0.5003 0.0248 0.0246 ( 2796 PWs) bands (ev): -46.1572 -46.1572 -22.8960 -22.8958 -22.2600 -22.2598 -22.2255 -22.2255 -14.6222 -14.6221 -6.9143 -6.9142 -6.0167 -6.0167 -5.8011 -5.8009 -1.0760 -1.0754 0.8313 0.8313 0.9676 0.9678 6.2270 6.2291 7.4159 7.4210 7.4298 7.4308 7.8617 7.8726 7.9467 7.9482 8.4207 8.4212 8.5489 8.5498 8.9965 8.9991 9.1721 9.1723 12.7847 12.7849 13.8610 13.8623 13.9878 13.9909 14.6254 14.6282 k = 0.5003 0.0338 0.0336 ( 2800 PWs) bands (ev): -46.1572 -46.1572 -22.8962 -22.8960 -22.2602 -22.2599 -22.2258 -22.2257 -14.6214 -14.6214 -6.9092 -6.9090 -6.0158 -6.0158 -5.8035 -5.8032 -1.0774 -1.0767 0.8300 0.8300 0.9637 0.9639 6.2248 6.2276 7.4104 7.4186 7.4290 7.4291 7.8194 7.8332 7.9279 7.9296 8.4486 8.4489 8.5856 8.5864 8.9784 8.9820 9.1635 9.1637 12.7977 12.7979 13.8607 13.8624 13.9858 13.9899 14.6470 14.6505 k = 0.5004 0.0429 0.0427 ( 2798 PWs) bands (ev): -46.1572 -46.1572 -22.8964 -22.8961 -22.2603 -22.2600 -22.2261 -22.2261 -14.6204 -14.6204 -6.9026 -6.9023 -6.0147 -6.0147 -5.8064 -5.8061 -1.0794 -1.0783 0.8281 0.8281 0.9589 0.9591 6.2223 6.2257 7.4015 7.4124 7.4290 7.4291 7.7716 7.7880 7.9079 7.9096 8.4814 8.4815 8.6267 8.6271 8.9556 8.9601 9.1529 9.1531 12.8141 12.8144 13.8605 13.8626 13.9838 13.9886 14.6746 14.6787 k = 0.5005 0.0519 0.0517 ( 2799 PWs) bands (ev): -46.1571 -46.1571 -22.8967 -22.8963 -22.2604 -22.2600 -22.2266 -22.2265 -14.6192 -14.6192 -6.8945 -6.8942 -6.0133 -6.0133 -5.8100 -5.8095 -1.0818 -1.0805 0.8255 0.8255 0.9534 0.9534 6.2193 6.2234 7.3890 7.4024 7.4297 7.4298 7.7212 7.7402 7.8874 7.8889 8.5179 8.5180 8.6698 8.6701 8.9284 8.9340 9.1405 9.1407 12.8340 12.8344 13.8604 13.8629 13.9819 13.9873 14.7077 14.7124 k = 0.5006 0.0610 0.0607 ( 2801 PWs) bands (ev): -46.1571 -46.1571 -22.8970 -22.8965 -22.2606 -22.2601 -22.2271 -22.2270 -14.6178 -14.6178 -6.8851 -6.8847 -6.0117 -6.0117 -5.8141 -5.8135 -1.0849 -1.0831 0.8218 0.8219 0.9470 0.9474 6.2160 6.2207 7.3724 7.3882 7.4302 7.4307 7.6709 7.6922 7.8670 7.8683 8.5571 8.5575 8.7129 8.7144 8.8971 8.9042 9.1268 9.1270 12.8572 12.8576 13.8607 13.8635 13.9801 13.9861 14.7461 14.7513 k = 0.5007 0.0700 0.0697 ( 2801 PWs) bands (ev): -46.1571 -46.1571 -22.8973 -22.8968 -22.2608 -22.2603 -22.2276 -22.2276 -14.6163 -14.6162 -6.8742 -6.8738 -6.0099 -6.0099 -5.8186 -5.8180 -1.0885 -1.0863 0.8168 0.8171 0.9402 0.9410 6.2125 6.2177 7.3510 7.3689 7.4305 7.4313 7.6230 7.6463 7.8471 7.8482 8.5984 8.5991 8.7538 8.7575 8.8632 8.8727 9.1122 9.1122 12.8835 12.8840 13.8613 13.8644 13.9787 13.9851 14.7896 14.7951 k = 0.5008 0.0790 0.0787 ( 2800 PWs) bands (ev): -46.1571 -46.1571 -22.8976 -22.8971 -22.2610 -22.2604 -22.2283 -22.2282 -14.6145 -14.6145 -6.8620 -6.8615 -6.0078 -6.0078 -5.8236 -5.8230 -1.0928 -1.0901 0.8102 0.8108 0.9330 0.9346 6.2087 6.2144 7.3240 7.3432 7.4302 7.4313 7.5800 7.6043 7.8282 7.8290 8.6411 8.6422 8.7820 8.7893 8.8365 8.8497 9.0971 9.0973 12.9128 12.9133 13.8624 13.8658 13.9777 13.9844 14.8377 14.8434 k = 0.5009 0.0881 0.0877 ( 2802 PWs) bands (ev): -46.1570 -46.1570 -22.8980 -22.8974 -22.2612 -22.2606 -22.2290 -22.2289 -14.6125 -14.6125 -6.8484 -6.8479 -6.0055 -6.0054 -5.8290 -5.8283 -1.0979 -1.0946 0.8018 0.8028 0.9257 0.9282 6.2047 6.2109 7.2909 7.3102 7.4290 7.4304 7.5434 7.5675 7.8106 7.8110 8.6842 8.6862 8.7677 8.7680 8.8587 8.8654 9.0822 9.0826 12.9447 12.9453 13.8641 13.8676 13.9773 13.9842 14.8901 14.8960 k = 0.5009 0.0971 0.0967 ( 2795 PWs) bands (ev): -46.1570 -46.1570 -22.8984 -22.8978 -22.2614 -22.2607 -22.2297 -22.2296 -14.6103 -14.6103 -6.8335 -6.8329 -6.0029 -6.0029 -5.8347 -5.8339 -1.1038 -1.0998 0.7914 0.7929 0.9183 0.9220 6.2007 6.2073 7.2523 7.2703 7.4266 7.4283 7.5137 7.5361 7.7943 7.7944 8.7158 8.7220 8.7329 8.7400 8.8989 8.9019 9.0683 9.0690 12.9793 12.9798 13.8664 13.8702 13.9776 13.9847 14.9465 14.9525 k = 0.5010 0.1062 0.1057 ( 2792 PWs) bands (ev): -46.1570 -46.1570 -22.8988 -22.8981 -22.2617 -22.2609 -22.2305 -22.2304 -14.6080 -14.6080 -6.8173 -6.8166 -6.0002 -6.0002 -5.8406 -5.8398 -1.1105 -1.1057 0.7790 0.7811 0.9108 0.9160 6.1967 6.2035 7.2094 7.2252 7.4227 7.4248 7.4898 7.5095 7.7792 7.7794 8.6752 8.6770 8.7751 8.7753 8.9400 8.9410 9.0564 9.0578 13.0161 13.0167 13.8695 13.8734 13.9786 13.9858 15.0066 15.0127 k = 0.5011 0.1152 0.1147 ( 2795 PWs) bands (ev): -46.1569 -46.1569 -22.8993 -22.8986 -22.2620 -22.2612 -22.2314 -22.2313 -14.6055 -14.6055 -6.7998 -6.7991 -5.9972 -5.9972 -5.8467 -5.8459 -1.1181 -1.1125 0.7645 0.7672 0.9032 0.9100 6.1927 6.1997 7.1637 7.1769 7.4170 7.4194 7.4701 7.4869 7.7655 7.7659 8.6237 8.6268 8.8167 8.8173 8.9791 8.9800 9.0485 9.0510 13.0550 13.0557 13.8735 13.8774 13.9805 13.9877 15.0700 15.0762 k = 0.5012 0.1243 0.1237 ( 2791 PWs) bands (ev): -46.1569 -46.1569 -22.8998 -22.8990 -22.2623 -22.2614 -22.2323 -22.2322 -14.6029 -14.6028 -6.7811 -6.7803 -5.9941 -5.9941 -5.8530 -5.8521 -1.1266 -1.1201 0.7481 0.7514 0.8953 0.9038 6.1888 6.1959 7.1169 7.1276 7.4092 7.4122 7.4532 7.4671 7.7531 7.7538 8.5698 8.5735 8.8549 8.8560 9.0131 9.0168 9.0483 9.0532 13.0958 13.0965 13.8783 13.8823 13.9833 13.9905 15.1364 15.1426 k = 0.5013 0.1333 0.1327 ( 2795 PWs) bands (ev): -46.1569 -46.1569 -22.9004 -22.8995 -22.2626 -22.2617 -22.2333 -22.2332 -14.6001 -14.6000 -6.7613 -6.7604 -5.9908 -5.9907 -5.8593 -5.8583 -1.1361 -1.1287 0.7299 0.7338 0.8868 0.8972 6.1851 6.1921 7.0703 7.0785 7.3993 7.4028 7.4380 7.4492 7.7418 7.7428 8.5142 8.5182 8.8867 8.8882 9.0375 9.0416 9.0675 9.0727 13.1383 13.1390 13.8840 13.8881 13.9870 13.9943 15.2055 15.2117 k = 0.5014 0.1424 0.1417 ( 2794 PWs) bands (ev): -46.1568 -46.1568 -22.9009 -22.9001 -22.2629 -22.2619 -22.2343 -22.2343 -14.5971 -14.5971 -6.7404 -6.7394 -5.9873 -5.9872 -5.8655 -5.8646 -1.1466 -1.1381 0.7100 0.7146 0.8776 0.8900 6.1816 6.1884 7.0251 7.0310 7.3872 7.3915 7.4235 7.4325 7.7315 7.7328 8.4574 8.4615 8.9094 8.9111 9.0601 9.0624 9.1016 9.1045 13.1821 13.1829 13.8908 13.8949 13.9918 13.9990 15.2770 15.2831 k = 0.5015 0.1514 0.1507 ( 2790 PWs) bands (ev): -46.1568 -46.1568 -22.9015 -22.9006 -22.2632 -22.2622 -22.2354 -22.2353 -14.5940 -14.5940 -6.7183 -6.7172 -5.9836 -5.9835 -5.8717 -5.8707 -1.1581 -1.1485 0.6887 0.6939 0.8674 0.8818 6.1782 6.1848 6.9822 6.9858 7.3730 7.3783 7.4091 7.4161 7.7220 7.7235 8.3998 8.4039 8.9236 8.9253 9.0904 9.0919 9.1372 9.1389 13.2272 13.2280 13.8986 13.9027 13.9976 14.0048 15.3505 15.3565 k = 0.5015 0.1605 0.1597 ( 2791 PWs) bands (ev): -46.1567 -46.1567 -22.9021 -22.9012 -22.2635 -22.2625 -22.2365 -22.2365 -14.5909 -14.5908 -6.6953 -6.6941 -5.9798 -5.9797 -5.8778 -5.8767 -1.1707 -1.1599 0.6660 0.6718 0.8559 0.8724 6.1752 6.1812 6.9423 6.9437 7.3569 7.3634 7.3942 7.3995 7.7130 7.7147 8.3421 8.3460 8.9330 8.9345 9.1273 9.1286 9.1723 9.1734 13.2732 13.2740 13.9074 13.9116 14.0046 14.0116 15.4258 15.4317 k = 0.5016 0.1695 0.1687 ( 2788 PWs) bands (ev): -46.1567 -46.1567 -22.9027 -22.9017 -22.2638 -22.2628 -22.2377 -22.2376 -14.5876 -14.5875 -6.6713 -6.6700 -5.9758 -5.9757 -5.8836 -5.8825 -1.1842 -1.1722 0.6422 0.6485 0.8429 0.8616 6.1723 6.1777 6.9050 6.9060 7.3391 7.3469 7.3783 7.3820 7.7044 7.7062 8.2847 8.2885 8.9412 8.9424 9.1677 9.1691 9.2069 9.2075 13.3199 13.3208 13.9174 13.9214 14.0127 14.0196 15.5024 15.5082 k = 0.5017 0.1786 0.1777 ( 2789 PWs) bands (ev): -46.1567 -46.1567 -22.9034 -22.9024 -22.2642 -22.2631 -22.2389 -22.2388 -14.5842 -14.5842 -6.6464 -6.6450 -5.9717 -5.9716 -5.8891 -5.8880 -1.1988 -1.1855 0.6174 0.6242 0.8282 0.8491 6.1696 6.1742 6.8703 6.8737 7.3198 7.3288 7.3612 7.3633 7.6959 7.6978 8.2283 8.2318 8.9504 8.9515 9.2092 9.2110 9.2411 9.2415 13.3672 13.3681 13.9283 13.9324 14.0219 14.0287 15.5800 15.5858 k = 0.5018 0.1876 0.1867 ( 2790 PWs) bands (ev): -46.1566 -46.1566 -22.9040 -22.9030 -22.2646 -22.2635 -22.2401 -22.2400 -14.5807 -14.5807 -6.6206 -6.6191 -5.9675 -5.9674 -5.8943 -5.8932 -1.2143 -1.1997 0.5917 0.5990 0.8118 0.8349 6.1669 6.1707 6.8399 6.8458 7.2988 7.3089 7.3428 7.3431 7.6874 7.6895 8.1735 8.1766 8.9619 8.9628 9.2499 9.2521 9.2759 9.2763 13.4148 13.4157 13.9404 13.9444 14.0323 14.0389 15.6584 15.6641 k = 0.5019 0.1967 0.1957 ( 2792 PWs) bands (ev): -46.1566 -46.1566 -22.9047 -22.9037 -22.2649 -22.2638 -22.2414 -22.2413 -14.5772 -14.5771 -6.5941 -6.5925 -5.9633 -5.9631 -5.8992 -5.8979 -1.2308 -1.2149 0.5653 0.5730 0.7934 0.8187 6.1643 6.1671 6.8141 6.8226 7.2763 7.2872 7.3210 7.3230 7.6789 7.6810 8.1208 8.1235 8.9764 8.9770 9.2875 9.2901 9.3129 9.3132 13.4626 13.4635 13.9535 13.9574 14.0438 14.0503 15.7372 15.7428 k = 0.5020 0.2057 0.2047 ( 2794 PWs) bands (ev): -46.1565 -46.1565 -22.9054 -22.9043 -22.2653 -22.2642 -22.2427 -22.2426 -14.5735 -14.5735 -6.5668 -6.5651 -5.9589 -5.9587 -5.9036 -5.9023 -1.2482 -1.2309 0.5382 0.5464 0.7730 0.8005 6.1615 6.1633 6.7929 6.8043 7.2523 7.2636 7.2971 7.3017 7.6702 7.6725 8.0710 8.0733 8.9940 8.9946 9.3214 9.3241 9.3526 9.3527 13.5102 13.5112 13.9676 13.9714 14.0565 14.0628 15.8161 15.8215 k = 0.5021 0.2148 0.2137 ( 2796 PWs) bands (ev): -46.1565 -46.1565 -22.9061 -22.9050 -22.2657 -22.2645 -22.2440 -22.2439 -14.5699 -14.5699 -6.5390 -6.5371 -5.9546 -5.9542 -5.9074 -5.9061 -1.2665 -1.2478 0.5106 0.5192 0.7505 0.7802 6.1585 6.1593 6.7765 6.7909 7.2266 7.2381 7.2712 7.2788 7.6615 7.6638 8.0246 8.0265 9.0150 9.0154 9.3526 9.3553 9.3933 9.3935 13.5577 13.5586 13.9828 13.9865 14.0703 14.0765 15.8946 15.9000 k = 0.5021 0.2238 0.2228 ( 2798 PWs) bands (ev): -46.1564 -46.1564 -22.9068 -22.9057 -22.2661 -22.2649 -22.2453 -22.2452 -14.5662 -14.5662 -6.5106 -6.5086 -5.9502 -5.9498 -5.9108 -5.9094 -1.2856 -1.2656 0.4826 0.4915 0.7260 0.7578 6.1549 6.1552 6.7648 6.7824 7.1994 7.2108 7.2434 7.2545 7.6526 7.6549 7.9821 7.9837 9.0392 9.0395 9.3822 9.3850 9.4339 9.4344 13.6047 13.6056 13.9989 14.0025 14.0852 14.0911 15.9725 15.9777 k = 0.5022 0.2329 0.2318 ( 2798 PWs) bands (ev): -46.1564 -46.1564 -22.9075 -22.9064 -22.2664 -22.2653 -22.2466 -22.2465 -14.5625 -14.5625 -6.4817 -6.4796 -5.9459 -5.9453 -5.9135 -5.9120 -1.3054 -1.2841 0.4543 0.4636 0.6995 0.7333 6.1501 6.1513 6.7576 6.7786 7.1707 7.1817 7.2139 7.2288 7.6437 7.6459 7.9441 7.9455 9.0666 9.0667 9.4108 9.4136 9.4739 9.4745 13.6511 13.6520 14.0160 14.0195 14.1011 14.1068 16.0493 16.0544 k = 0.5023 0.2419 0.2408 ( 2804 PWs) bands (ev): -46.1563 -46.1563 -22.9083 -22.9072 -22.2668 -22.2657 -22.2480 -22.2478 -14.5588 -14.5588 -6.4524 -6.4502 -5.9418 -5.9410 -5.9156 -5.9139 -1.3260 -1.3034 0.4259 0.4354 0.6710 0.7067 6.1448 6.1468 6.7544 6.7791 7.1406 7.1511 7.1831 7.2020 7.6348 7.6368 7.9108 7.9120 9.0968 9.0968 9.4385 9.4415 9.5127 9.5135 13.6967 13.6976 14.0340 14.0373 14.1179 14.1234 16.1246 16.1296 k = 0.5024 0.2510 0.2498 ( 2804 PWs) bands (ev): -46.1563 -46.1563 -22.9090 -22.9079 -22.2672 -22.2661 -22.2493 -22.2491 -14.5551 -14.5550 -6.4228 -6.4205 -5.9379 -5.9369 -5.9168 -5.9149 -1.3471 -1.3233 0.3973 0.4071 0.6407 0.6782 6.1390 6.1416 6.7547 6.7832 7.1094 7.1191 7.1516 7.1747 7.6261 7.6276 7.8823 7.8835 9.1296 9.1298 9.4657 9.4688 9.5504 9.5513 13.7415 13.7423 14.0529 14.0561 14.1356 14.1409 16.1981 16.2029 k = 0.5025 0.2600 0.2588 ( 2804 PWs) bands (ev): -46.1562 -46.1562 -22.9097 -22.9086 -22.2676 -22.2665 -22.2506 -22.2504 -14.5513 -14.5513 -6.3930 -6.3905 -5.9344 -5.9331 -5.9171 -5.9150 -1.3688 -1.3438 0.3688 0.3788 0.6087 0.6478 6.1326 6.1357 6.7573 6.7898 7.0772 7.0860 7.1205 7.1480 7.6177 7.6185 7.8585 7.8597 9.1648 9.1651 9.4923 9.4955 9.5867 9.5877 13.7852 13.7860 14.0727 14.0756 14.1541 14.1592 16.2691 16.2737 k = 0.5026 0.2690 0.2678 ( 2800 PWs) bands (ev): -46.1562 -46.1562 -22.9104 -22.9093 -22.2679 -22.2668 -22.2519 -22.2517 -14.5477 -14.5477 -6.3630 -6.3605 -5.9314 -5.9300 -5.9162 -5.9139 -1.3909 -1.3648 0.3405 0.3506 0.5751 0.6157 6.1255 6.1289 6.7611 6.7973 7.0445 7.0520 7.0914 7.1230 7.6097 7.6100 7.8391 7.8404 9.2021 9.2025 9.5186 9.5218 9.6215 9.6226 13.8277 13.8284 14.0932 14.0960 14.1733 14.1782 16.3372 16.3417 k = 0.5027 0.2781 0.2768 ( 2800 PWs) bands (ev): -46.1561 -46.1561 -22.9111 -22.9100 -22.2683 -22.2672 -22.2532 -22.2530 -14.5440 -14.5440 -6.3330 -6.3304 -5.9290 -5.9276 -5.9140 -5.9118 -1.4134 -1.3863 0.3123 0.3225 0.5403 0.5821 6.1176 6.1211 6.7641 6.8033 7.0115 7.0175 7.0669 7.1017 7.6015 7.6032 7.8238 7.8252 9.2413 9.2418 9.5444 9.5477 9.6548 9.6560 13.8688 13.8694 14.1145 14.1171 14.1931 14.1978 16.4019 16.4062 k = 0.5027 0.2871 0.2858 ( 2803 PWs) bands (ev): -46.1561 -46.1561 -22.9118 -22.9107 -22.2686 -22.2676 -22.2545 -22.2543 -14.5404 -14.5404 -6.3031 -6.3004 -5.9270 -5.9257 -5.9108 -5.9088 -1.4362 -1.4081 0.2845 0.2948 0.5043 0.5473 6.1089 6.1124 6.7644 6.8044 6.9782 6.9827 7.0504 7.0861 7.5941 7.5977 7.8119 7.8133 9.2820 9.2826 9.5700 9.5732 9.6866 9.6879 13.9085 13.9090 14.1365 14.1389 14.2134 14.2178 16.4625 16.4666 k = 0.5028 0.2962 0.2948 ( 2797 PWs) bands (ev): -46.1560 -46.1560 -22.9125 -22.9114 -22.2690 -22.2680 -22.2557 -22.2555 -14.5369 -14.5369 -6.2734 -6.2706 -5.9250 -5.9239 -5.9070 -5.9051 -1.4592 -1.4303 0.2571 0.2674 0.4675 0.5113 6.0994 6.1027 6.7599 6.7976 6.9447 6.9480 7.0453 7.0783 7.5878 7.5936 7.8030 7.8045 9.3239 9.3246 9.5953 9.5985 9.7168 9.7182 13.9466 13.9470 14.1592 14.1613 14.2340 14.2382 16.5184 16.5223 k = 0.5029 0.3052 0.3038 ( 2800 PWs) bands (ev): -46.1560 -46.1560 -22.9131 -22.9121 -22.2693 -22.2684 -22.2570 -22.2567 -14.5334 -14.5334 -6.2439 -6.2411 -5.9230 -5.9219 -5.9029 -5.9012 -1.4822 -1.4527 0.2302 0.2405 0.4301 0.4745 6.0888 6.0919 6.7496 6.7822 6.9112 6.9135 7.0522 7.0792 7.5828 7.5912 7.7965 7.7981 9.3667 9.3676 9.6203 9.6236 9.7454 9.7468 13.9830 13.9833 14.1824 14.1843 14.2549 14.2589 16.5689 16.5727 k = 0.5030 0.3143 0.3128 ( 2798 PWs) bands (ev): -46.1559 -46.1559 -22.9138 -22.9127 -22.2697 -22.2687 -22.2581 -22.2578 -14.5300 -14.5300 -6.2148 -6.2119 -5.9206 -5.9196 -5.8986 -5.8971 -1.5053 -1.4751 0.2039 0.2141 0.3923 0.4371 6.0771 6.0799 6.7337 6.7602 6.8777 6.8794 7.0694 7.0885 7.5794 7.5906 7.7921 7.7937 9.4102 9.4112 9.6452 9.6484 9.7724 9.7739 14.0177 14.0178 14.2061 14.2078 14.2759 14.2796 16.6135 16.6170 k = 0.5031 0.3233 0.3218 ( 2804 PWs) bands (ev): -46.1559 -46.1559 -22.9144 -22.9134 -22.2700 -22.2692 -22.2593 -22.2590 -14.5267 -14.5267 -6.1861 -6.1833 -5.9180 -5.9170 -5.8944 -5.8929 -1.5282 -1.4977 0.1783 0.1884 0.3544 0.3994 6.0643 6.0668 6.7137 6.7343 6.8447 6.8460 7.0937 7.1047 7.5777 7.5920 7.7894 7.7910 9.4541 9.4551 9.6699 9.6730 9.7978 9.7995 14.0505 14.0506 14.2303 14.2317 14.2968 14.3004 16.6514 16.6546 k = 0.5032 0.3324 0.3308 ( 2799 PWs) bands (ev): -46.1558 -46.1558 -22.9150 -22.9141 -22.2703 -22.2695 -22.2604 -22.2601 -14.5235 -14.5235 -6.1580 -6.1552 -5.9151 -5.9140 -5.8901 -5.8887 -1.5508 -1.5201 0.1535 0.1634 0.3167 0.3616 6.0504 6.0524 6.6913 6.7069 6.8123 6.8133 7.1224 7.1258 7.5779 7.5955 7.7881 7.7897 9.4979 9.4992 9.6945 9.6975 9.8217 9.8234 14.0814 14.0815 14.2547 14.2559 14.3177 14.3210 16.6822 16.6852 k = 0.5033 0.3414 0.3398 ( 2804 PWs) bands (ev): -46.1558 -46.1558 -22.9156 -22.9147 -22.2707 -22.2699 -22.2615 -22.2612 -14.5205 -14.5205 -6.1306 -6.1279 -5.9119 -5.9107 -5.8859 -5.8846 -1.5731 -1.5423 0.1295 0.1392 0.2794 0.3240 6.0352 6.0369 6.6679 6.6796 6.7807 6.7815 7.1501 7.1534 7.5802 7.6012 7.7879 7.7895 9.5416 9.5430 9.7188 9.7217 9.8440 9.8459 14.1103 14.1107 14.2792 14.2802 14.3382 14.3413 16.7056 16.7084 k = 0.5033 0.3505 0.3488 ( 2806 PWs) bands (ev): -46.1557 -46.1557 -22.9162 -22.9153 -22.2710 -22.2703 -22.2626 -22.2622 -14.5175 -14.5175 -6.1040 -6.1014 -5.9085 -5.9072 -5.8819 -5.8805 -1.5950 -1.5643 0.1065 0.1159 0.2429 0.2869 6.0189 6.0202 6.6448 6.6534 6.7501 6.7508 7.1759 7.1852 7.5850 7.6092 7.7886 7.7902 9.5847 9.5863 9.7429 9.7457 9.8648 9.8668 14.1375 14.1380 14.3036 14.3045 14.3584 14.3613 16.7215 16.7242 k = 0.5034 0.3595 0.3578 ( 2804 PWs) bands (ev): -46.1557 -46.1557 -22.9168 -22.9159 -22.2713 -22.2707 -22.2635 -22.2631 -14.5147 -14.5147 -6.0784 -6.0759 -5.9048 -5.9033 -5.8779 -5.8766 -1.6162 -1.5859 0.0845 0.0935 0.2074 0.2504 6.0016 6.0026 6.6227 6.6290 6.7207 6.7212 7.2019 7.2164 7.5923 7.6195 7.7900 7.7916 9.6271 9.6288 9.7667 9.7694 9.8841 9.8862 14.1628 14.1634 14.3278 14.3284 14.3780 14.3807 16.7304 16.7329 k = 0.5035 0.3686 0.3668 ( 2806 PWs) bands (ev): -46.1557 -46.1557 -22.9173 -22.9165 -22.2716 -22.2711 -22.2644 -22.2640 -14.5120 -14.5120 -6.0537 -6.0514 -5.9010 -5.8993 -5.8741 -5.8727 -1.6368 -1.6070 0.0635 0.0722 0.1730 0.2149 5.9835 5.9842 6.6021 6.6066 6.6926 6.6930 7.2271 7.2460 7.6025 7.6322 7.7919 7.7937 9.6684 9.6703 9.7903 9.7927 9.9020 9.9042 14.1865 14.1872 14.3515 14.3520 14.3971 14.3995 16.7326 16.7352 k = 0.5036 0.3776 0.3758 ( 2802 PWs) bands (ev): -46.1556 -46.1556 -22.9178 -22.9170 -22.2719 -22.2714 -22.2652 -22.2648 -14.5095 -14.5095 -6.0301 -6.0281 -5.8970 -5.8951 -5.8704 -5.8690 -1.6565 -1.6275 0.0437 0.0520 0.1401 0.1806 5.9647 5.9652 6.5834 6.5865 6.6658 6.6662 7.2509 7.2730 7.6156 7.6471 7.7943 7.7962 9.7083 9.7104 9.8133 9.8156 9.9185 9.9208 14.2084 14.2092 14.3745 14.3749 14.4153 14.4175 16.7290 16.7317 k = 0.5037 0.3867 0.3848 ( 2804 PWs) bands (ev): -46.1556 -46.1556 -22.9182 -22.9175 -22.2722 -22.2718 -22.2660 -22.2656 -14.5071 -14.5071 -6.0078 -6.0061 -5.8930 -5.8907 -5.8669 -5.8655 -1.6752 -1.6472 0.0252 0.0329 0.1089 0.1476 5.9457 5.9460 6.5666 6.5687 6.6406 6.6410 7.2726 7.2970 7.6315 7.6638 7.7969 7.7991 9.7465 9.7489 9.8359 9.8380 9.9336 9.9361 14.2287 14.2296 14.3966 14.3969 14.4327 14.4347 16.7206 16.7236 k = 0.5038 0.3957 0.3938 ( 2808 PWs) bands (ev): -46.1556 -46.1556 -22.9187 -22.9180 -22.2725 -22.2722 -22.2668 -22.2663 -14.5049 -14.5049 -5.9869 -5.9856 -5.8890 -5.8864 -5.8635 -5.8621 -1.6930 -1.6661 0.0078 0.0150 0.0795 0.1162 5.9266 5.9268 6.5517 6.5531 6.6170 6.6174 7.2921 7.3175 7.6499 7.6819 7.7998 7.8023 9.7829 9.7855 9.8577 9.8597 9.9473 9.9501 14.2475 14.2483 14.4177 14.4179 14.4491 14.4510 16.7084 16.7117 k = 0.5039 0.4048 0.4028 ( 2807 PWs) bands (ev): -46.1555 -46.1555 -22.9190 -22.9184 -22.2728 -22.2725 -22.2674 -22.2669 -14.5028 -14.5028 -5.9674 -5.9665 -5.8850 -5.8820 -5.8603 -5.8590 -1.7095 -1.6840 -0.0082 -0.0015 0.0522 0.0867 5.9079 5.9080 6.5387 6.5396 6.5952 6.5955 7.3092 7.3347 7.6703 7.7010 7.8028 7.8058 9.8170 9.8200 9.8787 9.8806 9.9598 9.9627 14.2646 14.2655 14.4376 14.4377 14.4645 14.4661 16.6934 16.6973 k = 0.5039 0.4138 0.4119 ( 2815 PWs) bands (ev): -46.1555 -46.1555 -22.9194 -22.9189 -22.2731 -22.2729 -22.2680 -22.2675 -14.5009 -14.5009 -5.9495 -5.9492 -5.8811 -5.8777 -5.8573 -5.8560 -1.7247 -1.7009 -0.0228 -0.0168 0.0271 0.0591 5.8898 5.8898 6.5275 6.5280 6.5751 6.5754 7.3241 7.3487 7.6918 7.7201 7.8059 7.8094 9.8487 9.8521 9.8987 9.9005 9.9710 9.9742 14.2802 14.2810 14.4561 14.4562 14.4788 14.4802 16.6766 16.6810 k = 0.5040 0.4229 0.4209 ( 2815 PWs) bands (ev): -46.1555 -46.1555 -22.9197 -22.9192 -22.2734 -22.2732 -22.2684 -22.2680 -14.4992 -14.4992 -5.9337 -5.9333 -5.8772 -5.8734 -5.8545 -5.8532 -1.7386 -1.7165 -0.0360 -0.0307 0.0044 0.0336 5.8727 5.8727 6.5179 6.5181 6.5569 6.5571 7.3369 7.3599 7.7136 7.7388 7.8090 7.8134 9.8777 9.8816 9.9175 9.9193 9.9811 9.9845 14.2942 14.2950 14.4731 14.4731 14.4919 14.4930 16.6588 16.6638 k = 0.5041 0.4319 0.4299 ( 2825 PWs) bands (ev): -46.1555 -46.1555 -22.9201 -22.9196 -22.2737 -22.2736 -22.2689 -22.2684 -14.4977 -14.4977 -5.9201 -5.9190 -5.8735 -5.8692 -5.8519 -5.8506 -1.7509 -1.7309 -0.0477 -0.0432 -0.0158 0.0104 5.8568 5.8568 6.5097 6.5098 6.5407 6.5408 7.3477 7.3687 7.7348 7.7561 7.8122 7.8176 9.9037 9.9080 9.9350 9.9367 9.9900 9.9937 14.3067 14.3075 14.4884 14.4884 14.5037 14.5046 16.6410 16.6459 k = 0.5042 0.4410 0.4389 ( 2825 PWs) bands (ev): -46.1554 -46.1554 -22.9203 -22.9199 -22.2739 -22.2739 -22.2692 -22.2688 -14.4964 -14.4964 -5.9085 -5.9068 -5.8698 -5.8651 -5.8494 -5.8483 -1.7617 -1.7438 -0.0580 -0.0542 -0.0333 -0.0103 5.8424 5.8425 6.5029 6.5029 6.5264 6.5265 7.3570 7.3755 7.7545 7.7712 7.8155 7.8223 9.9265 9.9313 9.9509 9.9527 9.9978 10.0017 14.3176 14.3183 14.5018 14.5020 14.5142 14.5149 16.6237 16.6278 k = 0.5043 0.4500 0.4479 ( 2823 PWs) bands (ev): -46.1554 -46.1554 -22.9205 -22.9202 -22.2741 -22.2741 -22.2695 -22.2691 -14.4952 -14.4952 -5.8990 -5.8968 -5.8660 -5.8612 -5.8472 -5.8462 -1.7708 -1.7552 -0.0667 -0.0638 -0.0481 -0.0284 5.8298 5.8299 6.4972 6.4974 6.5141 6.5143 7.3647 7.3807 7.7720 7.7837 7.8190 7.8275 9.9457 9.9509 9.9652 9.9670 10.0047 10.0088 14.3270 14.3276 14.5134 14.5136 14.5233 14.5239 16.6078 16.6099 k = 0.5044 0.4591 0.4569 ( 2819 PWs) bands (ev): -46.1554 -46.1554 -22.9207 -22.9204 -22.2743 -22.2743 -22.2697 -22.2694 -14.4943 -14.4943 -5.8916 -5.8892 -5.8623 -5.8577 -5.8450 -5.8443 -1.7781 -1.7651 -0.0739 -0.0719 -0.0600 -0.0439 5.8191 5.8192 6.4927 6.4929 6.5040 6.5041 7.3711 7.3844 7.7862 7.7932 7.8232 7.8331 9.9614 9.9665 9.9779 9.9795 10.0107 10.0148 14.3348 14.3353 14.5229 14.5232 14.5312 14.5315 16.5939 16.5944 k = 0.5045 0.4681 0.4659 ( 2816 PWs) bands (ev): -46.1554 -46.1554 -22.9208 -22.9205 -22.2745 -22.2744 -22.2699 -22.2696 -14.4935 -14.4935 -5.8860 -5.8838 -5.8587 -5.8548 -5.8431 -5.8426 -1.7837 -1.7733 -0.0796 -0.0784 -0.0691 -0.0567 5.8106 5.8106 6.4893 6.4894 6.4959 6.4960 7.3763 7.3868 7.7966 7.7998 7.8282 7.8383 9.9734 9.9779 9.9888 9.9898 10.0159 10.0198 14.3410 14.3414 14.5303 14.5306 14.5376 14.5377 16.5817 16.5823 k = 0.5045 0.4771 0.4749 ( 2814 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9207 -22.2746 -22.2746 -22.2699 -22.2697 -14.4930 -14.4930 -5.8822 -5.8803 -5.8556 -5.8527 -5.8414 -5.8412 -1.7875 -1.7797 -0.0837 -0.0832 -0.0753 -0.0665 5.8042 5.8042 6.4867 6.4868 6.4901 6.4902 7.3804 7.3882 7.8032 7.8043 7.8336 7.8424 9.9821 9.9856 9.9971 9.9975 10.0203 10.0236 14.3455 14.3458 14.5357 14.5359 14.5424 14.5424 16.5728 16.5741 k = 0.5046 0.4862 0.4839 ( 2810 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2746 -22.2746 -22.2700 -22.2698 -14.4926 -14.4926 -5.8798 -5.8785 -5.8534 -5.8516 -5.8401 -5.8401 -1.7893 -1.7843 -0.0863 -0.0862 -0.0789 -0.0734 5.8001 5.8002 6.4848 6.4849 6.4866 6.4867 7.3835 7.3885 7.8068 7.8070 7.8383 7.8445 9.9877 9.9900 10.0023 10.0024 10.0237 10.0260 14.3485 14.3487 14.5391 14.5392 14.5456 14.5456 16.5674 16.5681 k = 0.5047 0.4952 0.4929 ( 2804 PWs) bands (ev): -46.1554 -46.1554 -22.9209 -22.9208 -22.2747 -22.2747 -22.2699 -22.2699 -14.4924 -14.4924 -5.8786 -5.8781 -5.8521 -5.8513 -5.8395 -5.8395 -1.7894 -1.7871 -0.0874 -0.0874 -0.0796 -0.0773 5.7984 5.7985 6.4837 6.4837 6.4854 6.4854 7.3857 7.3879 7.8084 7.8085 7.8414 7.8442 9.9904 9.9914 10.0045 10.0045 10.0258 10.0268 14.3499 14.3500 14.5405 14.5405 14.5470 14.5470 16.5658 16.5660 Writing output data file BaTiO3.save init_run : 4.56s CPU 12.03s WALL ( 1 calls) electrons : 641.24s CPU 648.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.85s CPU 1.95s WALL ( 1 calls) Called by electrons: c_bands : 641.11s CPU 647.96s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.19s CPU 0.54s WALL ( 1 calls) newd : 0.47s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.47s WALL ( 324 calls) cegterg : 621.15s CPU 625.29s WALL ( 1141 calls) Called by sum_band: Called by *egterg: h_psi : 208.61s CPU 219.43s WALL ( 21182 calls) s_psi : 25.27s CPU 25.74s WALL ( 21182 calls) g_psi : 0.49s CPU 0.57s WALL ( 19717 calls) cdiaghg : 293.99s CPU 288.55s WALL ( 20041 calls) cegterg:over : 47.00s CPU 44.18s WALL ( 19717 calls) cegterg:upda : 7.03s CPU 11.12s WALL ( 19717 calls) cegterg:last : 6.53s CPU 7.49s WALL ( 2491 calls) Called by h_psi: h_psi:vloc : 161.04s CPU 170.64s WALL ( 21182 calls) h_psi:vnl : 47.36s CPU 48.17s WALL ( 21182 calls) add_vuspsi : 16.74s CPU 19.83s WALL ( 21182 calls) General routines calbec : 30.55s CPU 28.21s WALL ( 21182 calls) fft : 0.40s CPU 1.17s WALL ( 19 calls) ffts : 0.45s CPU 0.56s WALL ( 4 calls) fftw : 150.17s CPU 155.42s WALL ( 1390244 calls) interpolate : 0.49s CPU 0.61s WALL ( 4 calls) davcio : 0.08s CPU 1.17s WALL ( 648 calls) Parallel routines fft_scatter : 108.32s CPU 111.16s WALL ( 1390267 calls) PWSCF : 11m26.76s CPU 12m39.46s WALL This run was terminated on: 20:37:24 10Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=